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 2jjm_1_D DATA FIRST_RESID 2 DATA SEQUENCE KLKIGITCYP XXGGSGVVGT ELGKQLAERG HEIHFITSGL PXXXXKVYPN DATA SEQUENCE IYFHEVTVNX XXXFQYPPYD LALASKMAEV AQRENLDILH VHYAIPHAIC DATA SEQUENCE AYLAKQMIGE RIKIVTTLHG TDITVLGSDP SLNNLIRFGI EQSDVVTAVS DATA SEQUENCE HSLINETHEL VKPNKDIQTV YNFIDERVYF KRDMTQLKKE YGISXXXKIL DATA SEQUENCE IHISNFRKVK RVQDVVQAFA KIVTEVDAKL LLVGDGPEFC TILQLVKNLH DATA SEQUENCE IEDRVLFLGK QDNVAELLAM SDLMLLLSEK ESFGLVLLEA MACGVPCIGT DATA SEQUENCE RVGGIPEVIQ HGDTGYLCEV GDTTGVADQA IQLLKDEELH RNMGERARES DATA SEQUENCE VYEQFRSEKI VSQYETIYYD VLR 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.769 176.600 0.281 0.000 0.988 2 K CA 0.000 56.389 56.287 0.171 0.000 0.838 2 K CB 0.000 32.597 32.500 0.161 0.000 1.064 3 L N 1.343 122.799 121.223 0.389 0.000 2.482 3 L HA 0.459 4.799 4.340 0.000 0.000 0.263 3 L C -1.484 175.423 176.870 0.062 0.000 0.957 3 L CA -0.466 54.469 54.840 0.159 0.000 0.836 3 L CB 2.301 44.313 42.059 -0.078 0.000 1.324 3 L HN 0.217 nan 8.230 nan 0.000 0.406 4 K N 5.255 125.633 120.400 -0.036 0.000 2.299 4 K HA 0.592 4.912 4.320 0.000 0.000 0.268 4 K C -0.892 175.617 176.600 -0.151 0.000 1.075 4 K CA -0.380 55.882 56.287 -0.042 0.000 0.936 4 K CB 0.678 33.144 32.500 -0.058 0.000 1.228 4 K HN 0.312 nan 8.250 nan 0.000 0.454 5 I N 1.409 121.874 120.570 -0.175 0.000 2.525 5 I HA 0.415 4.585 4.170 0.000 0.000 0.301 5 I C 0.735 176.720 176.117 -0.221 0.000 0.992 5 I CA -0.886 60.233 61.300 -0.302 0.000 1.162 5 I CB 1.461 39.197 38.000 -0.439 0.000 1.332 5 I HN 0.541 nan 8.210 nan 0.000 0.458 6 G N 5.501 114.158 108.800 -0.239 0.000 2.487 6 G HA2 0.672 4.632 3.960 0.000 0.000 0.314 6 G HA3 0.672 4.632 3.960 0.000 0.000 0.314 6 G C -0.938 173.832 174.900 -0.216 0.000 1.267 6 G CA -0.233 44.747 45.100 -0.200 0.000 0.937 6 G HN 0.344 nan 8.290 nan 0.000 0.481 7 I N 1.111 121.494 120.570 -0.312 0.000 2.460 7 I HA 0.528 4.698 4.170 0.000 0.000 0.298 7 I C 0.303 176.370 176.117 -0.084 0.000 0.989 7 I CA -0.290 60.869 61.300 -0.235 0.000 1.173 7 I CB 2.516 40.266 38.000 -0.417 0.000 1.338 7 I HN 0.268 nan 8.210 nan 0.000 0.456 8 T N 4.715 119.225 114.554 -0.073 0.000 2.879 8 T HA 0.686 5.036 4.350 0.000 0.000 0.290 8 T C -0.846 173.675 174.700 -0.298 0.000 0.993 8 T CA -0.458 61.532 62.100 -0.184 0.000 0.975 8 T CB 0.936 69.617 68.868 -0.312 0.000 0.981 8 T HN 0.885 nan 8.240 nan 0.000 0.439 9 C N 1.512 120.622 119.300 -0.317 0.000 3.260 9 C HA 0.648 5.108 4.460 0.000 0.000 0.366 9 C C -2.017 172.850 174.990 -0.205 0.000 1.537 9 C CA -1.157 57.681 59.018 -0.300 0.000 1.160 9 C CB 0.280 27.897 27.740 -0.206 0.000 1.760 9 C HN 0.718 nan 8.230 nan 0.000 0.432 10 Y N 1.566 121.881 120.300 0.026 0.000 2.931 10 Y HA 0.521 5.071 4.550 0.000 0.000 0.330 10 Y C -1.796 174.067 175.900 -0.063 0.000 1.115 10 Y CA -2.006 56.091 58.100 -0.006 0.000 1.283 10 Y CB -0.883 37.557 38.460 -0.034 0.000 1.215 10 Y HN 0.569 nan 8.280 nan 0.000 0.534 15 G N 0.619 109.401 108.800 -0.028 0.000 2.395 15 G HA2 0.094 4.054 3.960 0.000 0.000 0.214 15 G HA3 0.094 4.054 3.960 0.000 0.000 0.214 15 G C 2.245 177.091 174.900 -0.090 0.000 1.177 15 G CA 2.619 47.708 45.100 -0.019 0.000 0.794 15 G HN 1.541 nan 8.290 nan 0.000 0.532 16 S N 0.984 116.547 115.700 -0.228 0.000 2.374 16 S HA -0.065 4.405 4.470 0.000 0.000 0.227 16 S C 2.464 176.923 174.600 -0.235 0.000 1.037 16 S CA 1.839 59.784 58.200 -0.425 0.000 1.024 16 S CB -1.070 61.908 63.200 -0.370 0.000 0.861 16 S HN 0.464 nan 8.310 nan 0.000 0.456 17 G N 1.597 110.319 108.800 -0.130 0.000 2.421 17 G HA2 -0.119 3.841 3.960 0.000 0.000 0.216 17 G HA3 -0.119 3.841 3.960 0.000 0.000 0.216 17 G C 1.481 176.307 174.900 -0.124 0.000 1.171 17 G CA 1.108 46.143 45.100 -0.109 0.000 0.775 17 G HN 0.506 nan 8.290 nan 0.000 0.543 18 V N 0.816 120.670 119.914 -0.099 0.000 2.231 18 V HA -0.238 3.882 4.120 0.000 0.000 0.248 18 V C 3.041 179.052 176.094 -0.137 0.000 1.054 18 V CA 1.898 64.142 62.300 -0.094 0.000 1.015 18 V CB -0.965 30.811 31.823 -0.078 0.000 0.638 18 V HN 0.255 nan 8.190 nan 0.000 0.444 19 V N 1.056 120.874 119.914 -0.159 0.000 2.261 19 V HA -0.185 3.935 4.120 0.000 0.000 0.246 19 V C 2.726 178.720 176.094 -0.167 0.000 1.047 19 V CA 2.292 64.471 62.300 -0.203 0.000 1.015 19 V CB -1.733 30.082 31.823 -0.014 0.000 0.642 19 V HN 0.605 nan 8.190 nan 0.000 0.446 20 G N -0.095 108.493 108.800 -0.353 0.000 2.476 20 G HA2 -0.296 3.664 3.960 0.000 0.000 0.218 20 G HA3 -0.296 3.664 3.960 0.000 0.000 0.218 20 G C 1.687 176.544 174.900 -0.072 0.000 1.164 20 G CA 1.832 46.598 45.100 -0.556 0.000 0.768 20 G HN 0.486 nan 8.290 nan 0.000 0.560 21 T N 0.525 115.064 114.554 -0.026 0.000 2.708 21 T HA -0.079 4.271 4.350 0.000 0.000 0.266 21 T C 2.217 177.003 174.700 0.143 0.000 1.037 21 T CA 1.624 63.759 62.100 0.058 0.000 1.146 21 T CB -0.161 68.645 68.868 -0.103 0.000 0.865 21 T HN 0.354 nan 8.240 nan 0.000 0.435 22 E N 1.032 121.280 120.200 0.080 0.000 2.072 22 E HA -0.067 4.283 4.350 0.000 0.000 0.191 22 E C 1.981 178.780 176.600 0.331 0.000 0.985 22 E CA 0.542 57.042 56.400 0.168 0.000 0.801 22 E CB -0.582 29.159 29.700 0.068 0.000 0.750 22 E HN 0.323 nan 8.360 nan 0.000 0.452 23 L N -0.120 121.334 121.223 0.384 0.000 2.079 23 L HA -0.019 4.321 4.340 0.000 0.000 0.210 23 L C 2.085 179.072 176.870 0.196 0.000 1.081 23 L CA 2.505 57.586 54.840 0.402 0.000 0.752 23 L CB -1.060 41.163 42.059 0.273 0.000 0.896 23 L HN 0.212 nan 8.230 nan 0.000 0.433 24 G N -0.908 107.992 108.800 0.165 0.000 2.403 24 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 24 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 24 G C 1.695 176.628 174.900 0.054 0.000 1.154 24 G CA 0.712 45.842 45.100 0.049 0.000 0.784 24 G HN 0.466 nan 8.290 nan 0.000 0.538 25 K N -0.128 120.333 120.400 0.101 0.000 2.026 25 K HA -0.126 4.194 4.320 0.000 0.000 0.208 25 K C 2.642 179.219 176.600 -0.037 0.000 1.048 25 K CA 1.326 57.566 56.287 -0.077 0.000 0.929 25 K CB -0.138 32.348 32.500 -0.023 0.000 0.713 25 K HN 0.183 nan 8.250 nan 0.000 0.439 26 Q N 0.739 120.593 119.800 0.091 0.000 2.002 26 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 26 Q C 2.360 178.421 176.000 0.102 0.000 0.988 26 Q CA 1.546 57.412 55.803 0.106 0.000 0.843 26 Q CB -0.463 28.342 28.738 0.112 0.000 0.908 26 Q HN 0.393 nan 8.270 nan 0.000 0.420 27 L N 0.392 121.688 121.223 0.122 0.000 2.129 27 L HA -0.241 4.099 4.340 0.000 0.000 0.212 27 L C 2.480 179.466 176.870 0.193 0.000 1.087 27 L CA 1.124 56.085 54.840 0.202 0.000 0.757 27 L CB -0.600 41.551 42.059 0.153 0.000 0.896 27 L HN 0.186 nan 8.230 nan 0.000 0.434 28 A N -0.053 122.809 122.820 0.070 0.000 1.855 28 A HA -0.209 4.111 4.320 0.000 0.000 0.215 28 A C 2.103 179.736 177.584 0.081 0.000 1.191 28 A CA 1.526 53.586 52.037 0.038 0.000 0.613 28 A CB -0.458 18.476 19.000 -0.110 0.000 0.829 28 A HN 0.459 nan 8.150 nan 0.000 0.442 29 E N -0.285 119.968 120.200 0.087 0.000 2.267 29 E HA -0.170 4.180 4.350 0.000 0.000 0.197 29 E C 1.551 178.205 176.600 0.089 0.000 0.998 29 E CA 0.804 57.286 56.400 0.137 0.000 0.830 29 E CB -0.171 29.623 29.700 0.156 0.000 0.751 29 E HN 0.507 nan 8.360 nan 0.000 0.491 30 R N -0.382 120.160 120.500 0.070 0.000 2.335 30 R HA 0.088 4.428 4.340 0.000 0.000 0.223 30 R C 1.012 177.240 176.300 -0.120 0.000 0.940 30 R CA 0.485 56.590 56.100 0.007 0.000 1.086 30 R CB 0.559 30.892 30.300 0.054 0.000 1.073 30 R HN 0.254 nan 8.270 nan 0.000 0.504 31 G N 0.579 109.345 108.800 -0.057 0.000 2.195 31 G HA2 -0.239 3.721 3.960 0.000 0.000 0.246 31 G HA3 -0.239 3.721 3.960 0.000 0.000 0.246 31 G C 0.097 174.950 174.900 -0.078 0.000 0.984 31 G CA -0.260 44.796 45.100 -0.075 0.000 0.633 31 G HN 0.379 nan 8.290 nan 0.000 0.525 32 H N 0.745 119.857 119.070 0.069 0.000 2.679 32 H HA 0.436 4.992 4.556 0.000 0.000 0.369 32 H C 0.386 175.740 175.328 0.043 0.000 1.178 32 H CA 0.461 56.539 56.048 0.050 0.000 1.419 32 H CB 1.054 30.834 29.762 0.030 0.000 1.458 32 H HN 0.481 nan 8.280 nan 0.000 0.605 33 E N 2.192 122.506 120.200 0.191 0.000 2.055 33 E HA 0.241 4.591 4.350 0.000 0.000 0.274 33 E C -0.865 175.795 176.600 0.100 0.000 0.949 33 E CA -0.740 55.753 56.400 0.155 0.000 0.775 33 E CB 0.129 29.946 29.700 0.195 0.000 1.097 33 E HN 0.261 nan 8.360 nan 0.000 0.404 34 I N 4.112 124.670 120.570 -0.021 0.000 2.396 34 I HA 0.152 4.322 4.170 0.000 0.000 0.292 34 I C -0.093 175.850 176.117 -0.290 0.000 0.999 34 I CA -0.323 60.864 61.300 -0.189 0.000 1.310 34 I CB 1.133 38.931 38.000 -0.336 0.000 1.404 34 I HN 0.526 nan 8.210 nan 0.000 0.496 35 H N 6.686 125.607 119.070 -0.249 0.000 2.866 35 H HA 0.279 4.835 4.556 0.000 0.000 0.287 35 H C -1.016 174.191 175.328 -0.202 0.000 1.106 35 H CA -0.529 55.467 56.048 -0.086 0.000 1.396 35 H CB 0.693 30.424 29.762 -0.053 0.000 1.469 35 H HN 0.291 nan 8.280 nan 0.000 0.500 36 F N 3.229 123.123 119.950 -0.093 0.000 2.506 36 F HA 0.145 4.672 4.527 0.000 0.000 0.371 36 F C 0.933 176.778 175.800 0.074 0.000 1.078 36 F CA -0.028 57.907 58.000 -0.108 0.000 1.195 36 F CB 0.421 39.223 39.000 -0.330 0.000 1.099 36 F HN 0.364 nan 8.300 nan 0.000 0.548 37 I N 3.802 124.491 120.570 0.198 0.000 2.428 37 I HA 0.293 4.463 4.170 0.000 0.000 0.279 37 I C -0.152 176.045 176.117 0.132 0.000 1.040 37 I CA -0.136 61.256 61.300 0.154 0.000 1.171 37 I CB 1.102 39.110 38.000 0.014 0.000 1.312 37 I HN 0.521 nan 8.210 nan 0.000 0.470 38 T N 2.957 117.631 114.554 0.199 0.000 3.159 38 T HA 0.221 4.571 4.350 0.000 0.000 0.343 38 T C -0.603 174.231 174.700 0.224 0.000 1.364 38 T CA -0.640 61.572 62.100 0.187 0.000 1.102 38 T CB 1.284 70.239 68.868 0.146 0.000 1.263 38 T HN 0.424 nan 8.240 nan 0.000 0.477 39 S N 2.921 118.785 115.700 0.273 0.000 2.411 39 S HA 0.721 5.191 4.470 0.000 0.000 0.304 39 S C 0.818 175.508 174.600 0.150 0.000 1.098 39 S CA 0.230 58.566 58.200 0.227 0.000 1.068 39 S CB 0.284 63.665 63.200 0.301 0.000 1.032 39 S HN 1.466 nan 8.310 nan 0.000 0.511 40 G N 1.876 110.738 108.800 0.103 0.000 2.512 40 G HA2 0.364 4.324 3.960 0.000 0.000 0.181 40 G HA3 0.364 4.324 3.960 0.000 0.000 0.181 40 G C -1.755 173.149 174.900 0.008 0.000 1.173 40 G CA -0.897 44.232 45.100 0.048 0.000 0.988 40 G HN 0.699 nan 8.290 nan 0.000 0.485 41 L N 2.076 123.282 121.223 -0.027 0.000 2.492 41 L HA 0.342 4.682 4.340 0.000 0.000 0.259 41 L C -2.301 174.500 176.870 -0.114 0.000 1.229 41 L CA -1.074 53.712 54.840 -0.090 0.000 0.903 41 L CB 1.564 43.566 42.059 -0.095 0.000 1.114 41 L HN 0.307 nan 8.230 nan 0.000 0.494 48 V N 2.343 122.178 119.914 -0.132 0.000 2.612 48 V HA 0.545 4.665 4.120 0.000 0.000 0.301 48 V C -2.034 173.973 176.094 -0.145 0.000 1.059 48 V CA -0.403 61.879 62.300 -0.030 0.000 0.886 48 V CB 1.222 33.027 31.823 -0.031 0.000 1.007 48 V HN 0.660 nan 8.190 nan 0.000 0.426 49 Y N 6.692 127.003 120.300 0.019 0.000 2.330 49 Y HA 0.513 5.063 4.550 0.000 0.000 0.336 49 Y C -1.572 174.283 175.900 -0.076 0.000 1.036 49 Y CA -2.041 56.057 58.100 -0.004 0.000 1.125 49 Y CB 1.915 40.391 38.460 0.026 0.000 1.194 49 Y HN 0.486 nan 8.280 nan 0.000 0.469 50 P HA -0.100 nan 4.420 nan 0.000 0.226 50 P C 0.219 177.458 177.300 -0.101 0.000 1.153 50 P CA 1.114 64.189 63.100 -0.042 0.000 0.777 50 P CB 0.286 31.993 31.700 0.011 0.000 0.794 51 N N -0.562 118.132 118.700 -0.010 0.000 2.275 51 N HA 0.099 4.839 4.740 0.000 0.000 0.236 51 N C -0.311 175.174 175.510 -0.041 0.000 1.154 51 N CA -0.060 53.017 53.050 0.044 0.000 0.866 51 N CB 0.119 38.678 38.487 0.120 0.000 1.093 51 N HN 0.153 nan 8.380 nan 0.000 0.515 52 I N 1.262 121.696 120.570 -0.226 0.000 2.439 52 I HA 0.318 4.488 4.170 0.000 0.000 0.283 52 I C -1.119 174.739 176.117 -0.433 0.000 1.023 52 I CA -0.817 60.347 61.300 -0.227 0.000 1.100 52 I CB 0.971 38.926 38.000 -0.075 0.000 1.238 52 I HN -0.123 nan 8.210 nan 0.000 0.445 53 Y N 5.202 125.281 120.300 -0.369 0.000 2.420 53 Y HA 0.541 5.091 4.550 0.000 0.000 0.334 53 Y C -0.518 175.169 175.900 -0.356 0.000 1.094 53 Y CA -0.667 57.267 58.100 -0.277 0.000 1.126 53 Y CB 1.772 40.019 38.460 -0.354 0.000 1.217 53 Y HN 0.300 nan 8.280 nan 0.000 0.462 54 F N 2.348 122.307 119.950 0.015 0.000 2.427 54 F HA 0.377 4.904 4.527 0.000 0.000 0.348 54 F C -0.078 175.676 175.800 -0.078 0.000 1.125 54 F CA -0.756 57.286 58.000 0.070 0.000 0.989 54 F CB 0.853 39.876 39.000 0.039 0.000 1.165 54 F HN 0.418 nan 8.300 nan 0.000 0.442 55 H N 2.755 121.997 119.070 0.286 0.000 2.457 55 H HA 0.306 4.862 4.556 0.000 0.000 0.335 55 H C -0.619 174.825 175.328 0.195 0.000 1.115 55 H CA -0.596 55.580 56.048 0.212 0.000 1.219 55 H CB 2.392 32.249 29.762 0.160 0.000 1.471 55 H HN 0.570 nan 8.280 nan 0.000 0.491 56 E N 3.053 123.404 120.200 0.250 0.000 2.238 56 E HA 0.241 4.591 4.350 0.000 0.000 0.267 56 E C -1.167 175.537 176.600 0.174 0.000 0.887 56 E CA -0.900 55.622 56.400 0.204 0.000 0.769 56 E CB 2.231 32.028 29.700 0.162 0.000 1.187 56 E HN 0.251 nan 8.360 nan 0.000 0.416 57 V N 3.628 123.650 119.914 0.180 0.000 2.427 57 V HA 0.172 4.292 4.120 0.000 0.000 0.268 57 V C 0.383 176.573 176.094 0.161 0.000 1.046 57 V CA -0.188 62.207 62.300 0.158 0.000 0.970 57 V CB 0.402 32.328 31.823 0.171 0.000 1.001 57 V HN 0.729 nan 8.190 nan 0.000 0.476 58 T N 3.097 117.725 114.554 0.123 0.000 2.795 58 T HA 0.761 5.111 4.350 0.000 0.000 0.282 58 T C -0.385 174.382 174.700 0.111 0.000 0.980 58 T CA -0.659 61.508 62.100 0.112 0.000 1.012 58 T CB 1.549 70.471 68.868 0.091 0.000 0.936 58 T HN 0.331 nan 8.240 nan 0.000 0.457 59 V N 2.634 122.618 119.914 0.117 0.000 3.103 59 V HA 0.723 4.843 4.120 0.000 0.000 0.318 59 V C -0.348 175.812 176.094 0.109 0.000 1.114 59 V CA -1.166 61.204 62.300 0.116 0.000 1.020 59 V CB 1.809 33.710 31.823 0.130 0.000 1.085 59 V HN 1.016 nan 8.190 nan 0.000 0.446 66 Q N 1.439 121.382 119.800 0.238 0.000 2.020 66 Q HA -0.017 4.323 4.340 0.000 0.000 0.198 66 Q C -0.575 175.325 176.000 -0.165 0.000 0.974 66 Q CA 1.596 57.389 55.803 -0.016 0.000 0.829 66 Q CB 0.225 28.947 28.738 -0.028 0.000 0.894 66 Q HN 0.540 nan 8.270 nan 0.000 0.433 67 Y N -0.201 120.080 120.300 -0.031 0.000 2.477 67 Y HA 0.293 4.843 4.550 0.000 0.000 0.347 67 Y C -2.029 173.756 175.900 -0.192 0.000 0.981 67 Y CA -3.053 55.005 58.100 -0.071 0.000 1.033 67 Y CB 1.462 39.889 38.460 -0.055 0.000 1.245 67 Y HN 0.032 nan 8.280 nan 0.000 0.455 68 P HA 0.127 nan 4.420 nan 0.000 0.265 68 P C -2.578 174.668 177.300 -0.090 0.000 1.222 68 P CA -1.146 61.924 63.100 -0.051 0.000 0.767 68 P CB 0.456 32.189 31.700 0.055 0.000 0.801 69 P HA -0.015 nan 4.420 nan 0.000 0.238 69 P C 0.680 177.975 177.300 -0.008 0.000 1.679 69 P CA -0.013 62.988 63.100 -0.165 0.000 1.080 69 P CB -0.772 30.762 31.700 -0.276 0.000 1.961 70 Y N 1.980 122.253 120.300 -0.045 0.000 2.181 70 Y HA -0.255 4.295 4.550 0.000 0.000 0.288 70 Y C 1.579 177.497 175.900 0.030 0.000 1.146 70 Y CA 1.781 59.886 58.100 0.008 0.000 1.164 70 Y CB -0.281 38.194 38.460 0.024 0.000 0.982 70 Y HN 0.089 nan 8.280 nan 0.000 0.515 71 D N 0.442 120.793 120.400 -0.080 0.000 2.088 71 D HA -0.197 4.443 4.640 0.000 0.000 0.191 71 D C 2.189 178.392 176.300 -0.162 0.000 0.992 71 D CA 1.612 55.518 54.000 -0.156 0.000 0.831 71 D CB -0.637 40.160 40.800 -0.005 0.000 0.973 71 D HN 0.308 nan 8.370 nan 0.000 0.447 72 L N 1.235 122.410 121.223 -0.081 0.000 2.043 72 L HA -0.157 4.183 4.340 0.000 0.000 0.212 72 L C 2.525 179.353 176.870 -0.069 0.000 1.075 72 L CA 1.458 56.268 54.840 -0.050 0.000 0.752 72 L CB -1.220 40.829 42.059 -0.017 0.000 0.891 72 L HN -0.010 nan 8.230 nan 0.000 0.432 73 A N -1.000 121.768 122.820 -0.088 0.000 1.902 73 A HA -0.213 4.107 4.320 0.000 0.000 0.217 73 A C 2.273 179.786 177.584 -0.119 0.000 1.181 73 A CA 1.858 53.855 52.037 -0.068 0.000 0.623 73 A CB -0.824 18.160 19.000 -0.027 0.000 0.818 73 A HN 0.364 nan 8.150 nan 0.000 0.443 74 L N -0.360 120.704 121.223 -0.265 0.000 2.056 74 L HA 0.004 4.344 4.340 0.000 0.000 0.207 74 L C 2.619 179.407 176.870 -0.137 0.000 1.078 74 L CA 2.098 56.780 54.840 -0.264 0.000 0.749 74 L CB -0.812 40.942 42.059 -0.509 0.000 0.901 74 L HN 0.328 nan 8.230 nan 0.000 0.433 75 A N -1.417 121.335 122.820 -0.113 0.000 1.877 75 A HA -0.238 4.082 4.320 0.000 0.000 0.216 75 A C 2.527 180.076 177.584 -0.058 0.000 1.186 75 A CA 1.993 53.993 52.037 -0.062 0.000 0.620 75 A CB -1.249 17.730 19.000 -0.036 0.000 0.822 75 A HN 0.526 nan 8.150 nan 0.000 0.443 76 S N -0.696 114.974 115.700 -0.050 0.000 2.370 76 S HA -0.218 4.252 4.470 0.000 0.000 0.226 76 S C 2.143 176.719 174.600 -0.041 0.000 1.033 76 S CA 2.159 60.337 58.200 -0.036 0.000 1.011 76 S CB -0.276 62.915 63.200 -0.015 0.000 0.852 76 S HN 0.512 nan 8.310 nan 0.000 0.457 77 K N 0.781 121.156 120.400 -0.041 0.000 2.097 77 K HA 0.132 4.452 4.320 0.000 0.000 0.205 77 K C 2.104 178.659 176.600 -0.076 0.000 1.050 77 K CA 1.382 57.648 56.287 -0.036 0.000 0.938 77 K CB -0.382 32.115 32.500 -0.005 0.000 0.718 77 K HN 0.401 nan 8.250 nan 0.000 0.442 78 M N -0.333 119.218 119.600 -0.082 0.000 2.065 78 M HA -0.190 4.290 4.480 0.000 0.000 0.259 78 M C 2.169 178.399 176.300 -0.118 0.000 1.069 78 M CA 1.993 57.230 55.300 -0.105 0.000 1.110 78 M CB -0.411 32.138 32.600 -0.085 0.000 1.328 78 M HN 0.284 nan 8.290 nan 0.000 0.405 79 A N -0.233 122.531 122.820 -0.094 0.000 1.883 79 A HA -0.253 4.067 4.320 0.000 0.000 0.217 79 A C 2.021 179.546 177.584 -0.099 0.000 1.186 79 A CA 2.135 54.117 52.037 -0.093 0.000 0.624 79 A CB -0.942 18.013 19.000 -0.075 0.000 0.822 79 A HN 0.602 nan 8.150 nan 0.000 0.444 80 E N -0.158 119.990 120.200 -0.086 0.000 2.031 80 E HA -0.147 4.203 4.350 0.000 0.000 0.193 80 E C 2.001 178.525 176.600 -0.126 0.000 0.994 80 E CA 1.757 58.109 56.400 -0.081 0.000 0.800 80 E CB -0.174 29.497 29.700 -0.047 0.000 0.752 80 E HN 0.329 nan 8.360 nan 0.000 0.447 81 V N 1.628 121.433 119.914 -0.182 0.000 2.332 81 V HA -0.287 3.833 4.120 0.000 0.000 0.248 81 V C 2.553 178.465 176.094 -0.302 0.000 1.055 81 V CA 1.770 63.883 62.300 -0.312 0.000 1.038 81 V CB -1.004 30.513 31.823 -0.510 0.000 0.651 81 V HN 0.417 nan 8.190 nan 0.000 0.450 82 A N 0.985 123.662 122.820 -0.238 0.000 1.859 82 A HA -0.331 3.989 4.320 0.000 0.000 0.217 82 A C 2.274 179.747 177.584 -0.186 0.000 1.198 82 A CA 2.390 54.298 52.037 -0.214 0.000 0.629 82 A CB -0.659 18.243 19.000 -0.164 0.000 0.830 82 A HN 0.754 nan 8.150 nan 0.000 0.446 83 Q N -1.363 118.351 119.800 -0.144 0.000 2.378 83 Q HA -0.009 4.331 4.340 0.000 0.000 0.205 83 Q C 2.089 178.020 176.000 -0.114 0.000 0.954 83 Q CA 1.015 56.748 55.803 -0.116 0.000 0.901 83 Q CB -0.181 28.504 28.738 -0.089 0.000 0.981 83 Q HN 0.656 nan 8.270 nan 0.000 0.483 84 R N 0.575 120.998 120.500 -0.129 0.000 2.062 84 R HA -0.044 4.296 4.340 0.000 0.000 0.226 84 R C 1.415 177.630 176.300 -0.141 0.000 1.125 84 R CA 1.307 57.340 56.100 -0.112 0.000 0.966 84 R CB 0.307 30.550 30.300 -0.095 0.000 0.861 84 R HN 0.247 nan 8.270 nan 0.000 0.433 85 E N 0.371 120.437 120.200 -0.224 0.000 2.489 85 E HA -0.019 4.331 4.350 0.000 0.000 0.193 85 E C -0.197 176.261 176.600 -0.237 0.000 1.057 85 E CA -0.047 56.182 56.400 -0.285 0.000 0.866 85 E CB 0.056 29.405 29.700 -0.585 0.000 0.916 85 E HN 0.265 nan 8.360 nan 0.000 0.500 86 N N 1.204 119.788 118.700 -0.192 0.000 2.708 86 N HA -0.179 4.561 4.740 0.000 0.000 0.255 86 N C -0.567 174.844 175.510 -0.164 0.000 1.046 86 N CA 0.346 53.307 53.050 -0.148 0.000 0.715 86 N CB -1.222 37.203 38.487 -0.103 0.000 0.895 86 N HN 0.213 nan 8.380 nan 0.000 0.545 87 L N 0.253 121.351 121.223 -0.207 0.000 2.452 87 L HA 0.093 4.433 4.340 0.000 0.000 0.267 87 L C 1.667 178.439 176.870 -0.164 0.000 1.188 87 L CA -0.171 54.543 54.840 -0.209 0.000 0.821 87 L CB 0.402 42.312 42.059 -0.249 0.000 1.102 87 L HN 0.133 nan 8.230 nan 0.000 0.470 88 D N 1.200 121.499 120.400 -0.168 0.000 2.414 88 D HA 0.199 4.839 4.640 0.000 0.000 0.237 88 D C 0.220 176.408 176.300 -0.186 0.000 0.975 88 D CA 1.085 54.993 54.000 -0.154 0.000 0.917 88 D CB 0.588 41.297 40.800 -0.151 0.000 1.061 88 D HN 0.190 nan 8.370 nan 0.000 0.480 89 I N 0.634 121.046 120.570 -0.264 0.000 2.603 89 I HA 0.252 4.422 4.170 0.000 0.000 0.300 89 I C -0.986 174.967 176.117 -0.272 0.000 1.017 89 I CA -0.810 60.306 61.300 -0.306 0.000 1.098 89 I CB 2.614 40.286 38.000 -0.547 0.000 1.279 89 I HN -0.204 nan 8.210 nan 0.000 0.437 90 L N 5.585 126.689 121.223 -0.199 0.000 2.377 90 L HA 0.409 4.749 4.340 0.000 0.000 0.270 90 L C -1.038 175.798 176.870 -0.056 0.000 0.991 90 L CA -0.109 54.650 54.840 -0.135 0.000 0.851 90 L CB 0.554 42.550 42.059 -0.105 0.000 1.218 90 L HN 0.600 nan 8.230 nan 0.000 0.420 91 H N 4.075 123.040 119.070 -0.176 0.000 2.556 91 H HA 0.627 5.183 4.556 0.000 0.000 0.310 91 H C -1.209 174.099 175.328 -0.032 0.000 1.057 91 H CA -0.737 55.248 56.048 -0.105 0.000 1.264 91 H CB 1.339 31.044 29.762 -0.094 0.000 1.404 91 H HN 0.460 nan 8.280 nan 0.000 0.462 92 V N 5.449 125.470 119.914 0.178 0.000 2.769 92 V HA 0.098 4.218 4.120 0.000 0.000 0.312 92 V C 0.345 176.455 176.094 0.025 0.000 1.058 92 V CA -0.360 61.985 62.300 0.076 0.000 0.952 92 V CB 1.886 33.764 31.823 0.090 0.000 1.019 92 V HN 0.928 nan 8.190 nan 0.000 0.445 93 H N 1.905 120.991 119.070 0.027 0.000 2.788 93 H HA 0.175 4.731 4.556 0.000 0.000 0.262 93 H C -0.454 175.082 175.328 0.348 0.000 0.968 93 H CA 0.276 56.423 56.048 0.164 0.000 1.218 93 H CB 1.266 31.069 29.762 0.069 0.000 1.443 93 H HN 0.574 nan 8.280 nan 0.000 0.478 94 Y N 0.368 120.916 120.300 0.414 0.000 2.596 94 Y HA 0.482 5.032 4.550 0.000 0.000 0.326 94 Y C 1.137 177.133 175.900 0.161 0.000 1.167 94 Y CA -0.096 58.149 58.100 0.242 0.000 1.246 94 Y CB 1.210 39.763 38.460 0.155 0.000 1.347 94 Y HN -0.054 nan 8.280 nan 0.000 0.515 95 A N 1.602 124.344 122.820 -0.131 0.000 1.871 95 A HA 0.174 4.494 4.320 0.000 0.000 0.211 95 A C 0.166 177.759 177.584 0.016 0.000 1.207 95 A CA 0.839 52.845 52.037 -0.051 0.000 0.620 95 A CB -0.284 18.630 19.000 -0.143 0.000 0.860 95 A HN 0.442 nan 8.150 nan 0.000 0.450 96 I N 0.107 120.702 120.570 0.042 0.000 2.385 96 I HA 0.282 4.452 4.170 0.000 0.000 0.294 96 I C -1.985 174.144 176.117 0.020 0.000 0.988 96 I CA -2.152 59.185 61.300 0.062 0.000 1.265 96 I CB 1.005 39.060 38.000 0.091 0.000 1.388 96 I HN 0.053 nan 8.210 nan 0.000 0.480 97 P HA 0.021 nan 4.420 nan 0.000 0.234 97 P C 1.210 178.528 177.300 0.030 0.000 1.175 97 P CA 0.731 63.821 63.100 -0.016 0.000 0.801 97 P CB 0.100 31.828 31.700 0.047 0.000 0.891 98 H N 1.076 120.198 119.070 0.087 0.000 2.375 98 H HA -0.221 4.335 4.556 0.000 0.000 0.289 98 H C 1.904 177.260 175.328 0.047 0.000 1.121 98 H CA 1.811 57.885 56.048 0.043 0.000 1.207 98 H CB -1.482 28.299 29.762 0.030 0.000 1.355 98 H HN 0.132 nan 8.280 nan 0.000 0.486 99 A N 0.640 123.560 122.820 0.168 0.000 1.858 99 A HA -0.120 4.200 4.320 0.000 0.000 0.216 99 A C 2.720 180.375 177.584 0.119 0.000 1.190 99 A CA 1.767 53.866 52.037 0.103 0.000 0.617 99 A CB -0.793 18.235 19.000 0.048 0.000 0.827 99 A HN 0.264 nan 8.150 nan 0.000 0.443 100 I N -0.454 120.194 120.570 0.130 0.000 2.315 100 I HA -0.264 3.906 4.170 0.000 0.000 0.248 100 I C 2.481 178.720 176.117 0.204 0.000 1.117 100 I CA 1.012 62.427 61.300 0.193 0.000 1.404 100 I CB -0.379 37.721 38.000 0.167 0.000 1.071 100 I HN 0.401 nan 8.210 nan 0.000 0.419 101 C N 0.243 119.624 119.300 0.135 0.000 2.429 101 C HA -0.146 4.314 4.460 0.000 0.000 0.277 101 C C 3.108 178.142 174.990 0.073 0.000 1.262 101 C CA 0.897 59.967 59.018 0.086 0.000 1.733 101 C CB -1.404 26.369 27.740 0.055 0.000 2.010 101 C HN 0.595 nan 8.230 nan 0.000 0.483 102 A N -0.920 121.952 122.820 0.087 0.000 1.969 102 A HA -0.186 4.134 4.320 0.000 0.000 0.218 102 A C 1.938 179.565 177.584 0.072 0.000 1.169 102 A CA 1.589 53.656 52.037 0.050 0.000 0.635 102 A CB -0.838 18.190 19.000 0.047 0.000 0.810 102 A HN 0.686 nan 8.150 nan 0.000 0.445 103 Y N 0.444 120.752 120.300 0.014 0.000 2.114 103 Y HA -0.165 4.385 4.550 0.000 0.000 0.284 103 Y C 1.951 177.873 175.900 0.037 0.000 1.143 103 Y CA 1.775 59.889 58.100 0.024 0.000 1.135 103 Y CB -0.457 38.047 38.460 0.072 0.000 0.980 103 Y HN 0.203 nan 8.280 nan 0.000 0.499 104 L N -0.130 121.070 121.223 -0.038 0.000 2.013 104 L HA -0.308 4.032 4.340 0.000 0.000 0.212 104 L C 2.802 179.578 176.870 -0.156 0.000 1.073 104 L CA 1.444 56.206 54.840 -0.130 0.000 0.753 104 L CB -1.108 40.958 42.059 0.012 0.000 0.890 104 L HN 0.419 nan 8.230 nan 0.000 0.432 105 A N -0.243 122.521 122.820 -0.094 0.000 1.892 105 A HA -0.302 4.018 4.320 0.000 0.000 0.218 105 A C 2.392 179.900 177.584 -0.126 0.000 1.188 105 A CA 2.224 54.204 52.037 -0.095 0.000 0.631 105 A CB -0.575 18.380 19.000 -0.075 0.000 0.822 105 A HN 0.336 nan 8.150 nan 0.000 0.447 106 K N -1.107 119.204 120.400 -0.147 0.000 2.009 106 K HA -0.218 4.102 4.320 0.000 0.000 0.210 106 K C 2.280 178.768 176.600 -0.187 0.000 1.049 106 K CA 1.700 57.896 56.287 -0.152 0.000 0.929 106 K CB -0.210 32.205 32.500 -0.141 0.000 0.714 106 K HN 0.450 nan 8.250 nan 0.000 0.440 107 Q N 0.083 119.701 119.800 -0.302 0.000 2.135 107 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 107 Q C 2.062 177.967 176.000 -0.159 0.000 0.981 107 Q CA 1.547 57.189 55.803 -0.268 0.000 0.856 107 Q CB -0.249 28.250 28.738 -0.399 0.000 0.902 107 Q HN 0.454 nan 8.270 nan 0.000 0.425 108 M N 0.181 119.695 119.600 -0.143 0.000 2.229 108 M HA -0.062 4.418 4.480 0.000 0.000 0.264 108 M C 1.680 177.931 176.300 -0.081 0.000 1.063 108 M CA 1.004 56.248 55.300 -0.094 0.000 1.114 108 M CB -0.066 32.486 32.600 -0.080 0.000 1.387 108 M HN 0.177 nan 8.290 nan 0.000 0.420 109 I N -3.134 117.382 120.570 -0.090 0.000 3.874 109 I HA 0.442 4.612 4.170 0.000 0.000 0.331 109 I C 0.759 176.833 176.117 -0.071 0.000 1.489 109 I CA -0.054 61.199 61.300 -0.077 0.000 1.187 109 I CB -0.767 37.182 38.000 -0.084 0.000 1.150 109 I HN 0.372 nan 8.210 nan 0.000 0.412 110 G N 1.774 110.532 108.800 -0.071 0.000 2.179 110 G HA2 -0.322 3.638 3.960 0.000 0.000 0.257 110 G HA3 -0.322 3.638 3.960 0.000 0.000 0.257 110 G C 0.252 175.116 174.900 -0.059 0.000 1.010 110 G CA 0.484 45.549 45.100 -0.059 0.000 0.736 110 G HN 0.756 nan 8.290 nan 0.000 0.513 111 E N -2.295 117.860 120.200 -0.075 0.000 2.971 111 E HA -0.256 4.094 4.350 0.000 0.000 0.278 111 E C 1.016 177.582 176.600 -0.058 0.000 1.009 111 E CA 0.973 57.333 56.400 -0.067 0.000 0.862 111 E CB -0.821 28.850 29.700 -0.049 0.000 1.436 111 E HN 0.792 nan 8.360 nan 0.000 0.434 112 R N 0.758 121.220 120.500 -0.063 0.000 4.263 112 R HA 0.311 4.651 4.340 0.000 0.000 0.248 112 R C 0.188 176.445 176.300 -0.071 0.000 1.796 112 R CA 0.187 56.252 56.100 -0.060 0.000 1.518 112 R CB 0.197 30.462 30.300 -0.058 0.000 1.342 112 R HN 0.069 nan 8.270 nan 0.000 0.706 113 I N 0.429 120.956 120.570 -0.073 0.000 2.882 113 I HA 0.212 4.382 4.170 0.000 0.000 0.298 113 I C -1.489 174.582 176.117 -0.077 0.000 1.462 113 I CA -0.826 60.422 61.300 -0.086 0.000 1.000 113 I CB 2.544 40.484 38.000 -0.101 0.000 1.340 113 I HN 0.022 nan 8.210 nan 0.000 0.462 114 K N 6.386 126.732 120.400 -0.089 0.000 2.235 114 K HA 0.583 4.903 4.320 0.000 0.000 0.266 114 K C -0.755 175.795 176.600 -0.085 0.000 0.980 114 K CA -0.521 55.720 56.287 -0.077 0.000 0.849 114 K CB 1.736 34.190 32.500 -0.075 0.000 1.098 114 K HN 0.453 nan 8.250 nan 0.000 0.445 115 I N 2.691 123.225 120.570 -0.059 0.000 2.331 115 I HA 0.208 4.378 4.170 0.000 0.000 0.292 115 I C -0.196 175.890 176.117 -0.051 0.000 0.998 115 I CA -0.987 60.285 61.300 -0.048 0.000 1.267 115 I CB 1.418 39.407 38.000 -0.018 0.000 1.386 115 I HN 0.018 nan 8.210 nan 0.000 0.476 116 V N 5.320 125.200 119.914 -0.057 0.000 2.378 116 V HA 0.345 4.465 4.120 0.000 0.000 0.288 116 V C -0.036 176.058 176.094 -0.001 0.000 1.016 116 V CA -0.424 61.821 62.300 -0.091 0.000 0.840 116 V CB 1.689 33.362 31.823 -0.250 0.000 0.994 116 V HN 0.722 nan 8.190 nan 0.000 0.431 117 T N 3.361 117.909 114.554 -0.009 0.000 2.771 117 T HA 0.430 4.780 4.350 0.000 0.000 0.281 117 T C 0.066 174.767 174.700 0.001 0.000 0.982 117 T CA -0.273 61.840 62.100 0.021 0.000 0.978 117 T CB 1.298 70.158 68.868 -0.014 0.000 0.930 117 T HN 0.622 nan 8.240 nan 0.000 0.447 118 T N 4.526 119.069 114.554 -0.017 0.000 2.771 118 T HA 0.531 4.881 4.350 0.000 0.000 0.281 118 T C 0.205 174.865 174.700 -0.067 0.000 0.982 118 T CA -0.572 61.489 62.100 -0.065 0.000 0.978 118 T CB 0.426 69.203 68.868 -0.152 0.000 0.930 118 T HN 0.319 nan 8.240 nan 0.000 0.447 119 L N 3.499 124.632 121.223 -0.151 0.000 2.431 119 L HA 0.634 4.974 4.340 0.000 0.000 0.260 119 L C 0.626 177.356 176.870 -0.233 0.000 1.098 119 L CA -0.921 53.836 54.840 -0.139 0.000 0.800 119 L CB 0.787 42.749 42.059 -0.161 0.000 1.210 119 L HN 0.624 nan 8.230 nan 0.000 0.465 120 H N -0.824 118.195 119.070 -0.086 0.000 3.110 120 H HA 0.138 4.694 4.556 0.000 0.000 0.277 120 H C 0.575 175.911 175.328 0.013 0.000 1.571 120 H CA -0.034 56.024 56.048 0.017 0.000 1.206 120 H CB 1.166 31.024 29.762 0.161 0.000 1.852 120 H HN 0.634 nan 8.280 nan 0.000 0.629 121 G N -0.267 108.701 108.800 0.280 0.000 2.511 121 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 121 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 121 G C 1.334 176.314 174.900 0.135 0.000 1.218 121 G CA 2.192 47.400 45.100 0.180 0.000 0.788 121 G HN 0.601 nan 8.290 nan 0.000 0.560 122 T N 0.937 115.626 114.554 0.224 0.000 2.896 122 T HA -0.067 4.283 4.350 0.000 0.000 0.263 122 T C 1.973 176.780 174.700 0.178 0.000 1.050 122 T CA 1.541 63.777 62.100 0.227 0.000 1.140 122 T CB -0.383 68.664 68.868 0.299 0.000 0.877 122 T HN 0.465 nan 8.240 nan 0.000 0.457 123 D N 1.647 122.044 120.400 -0.005 0.000 2.158 123 D HA -0.125 4.515 4.640 0.000 0.000 0.197 123 D C 1.704 177.913 176.300 -0.152 0.000 0.995 123 D CA 0.977 54.757 54.000 -0.366 0.000 0.846 123 D CB -0.432 39.594 40.800 -1.291 0.000 0.941 123 D HN 0.402 nan 8.370 nan 0.000 0.456 124 I N 0.168 120.670 120.570 -0.113 0.000 2.899 124 I HA -0.074 4.096 4.170 0.000 0.000 0.257 124 I C 2.402 178.511 176.117 -0.013 0.000 1.115 124 I CA 0.738 61.998 61.300 -0.067 0.000 1.451 124 I CB -0.598 37.354 38.000 -0.081 0.000 1.251 124 I HN -0.085 nan 8.210 nan 0.000 0.456 125 T N 0.154 114.715 114.554 0.011 0.000 2.544 125 T HA -0.256 4.094 4.350 0.000 0.000 0.264 125 T C 1.884 176.608 174.700 0.040 0.000 1.096 125 T CA 2.454 64.575 62.100 0.035 0.000 1.181 125 T CB -0.576 68.327 68.868 0.059 0.000 0.864 125 T HN 0.228 nan 8.240 nan 0.000 0.415 126 V N 0.183 120.132 119.914 0.059 0.000 2.575 126 V HA 0.177 4.297 4.120 0.000 0.000 0.242 126 V C 2.235 178.360 176.094 0.052 0.000 1.045 126 V CA 0.847 63.181 62.300 0.057 0.000 1.065 126 V CB -0.431 31.435 31.823 0.070 0.000 0.717 126 V HN 0.477 nan 8.190 nan 0.000 0.467 127 L N 0.883 122.144 121.223 0.064 0.000 1.994 127 L HA -0.010 4.330 4.340 0.000 0.000 0.208 127 L C 2.714 179.601 176.870 0.028 0.000 1.071 127 L CA 1.894 56.767 54.840 0.055 0.000 0.745 127 L CB -1.290 40.814 42.059 0.076 0.000 0.892 127 L HN 0.489 nan 8.230 nan 0.000 0.431 128 G N -0.519 108.288 108.800 0.011 0.000 2.499 128 G HA2 -0.330 3.630 3.960 0.000 0.000 0.221 128 G HA3 -0.330 3.630 3.960 0.000 0.000 0.221 128 G C 1.781 176.687 174.900 0.009 0.000 1.109 128 G CA 1.168 46.268 45.100 0.000 0.000 0.749 128 G HN 0.521 nan 8.290 nan 0.000 0.568 129 S N 0.019 115.729 115.700 0.017 0.000 2.387 129 S HA -0.082 4.388 4.470 0.000 0.000 0.226 129 S C 1.045 175.656 174.600 0.018 0.000 1.026 129 S CA 0.785 58.996 58.200 0.018 0.000 0.972 129 S CB -0.169 63.045 63.200 0.023 0.000 0.814 129 S HN 0.237 nan 8.310 nan 0.000 0.477 130 D N 3.730 124.142 120.400 0.020 0.000 2.363 130 D HA 0.179 4.819 4.640 0.000 0.000 0.263 130 D C -1.128 175.181 176.300 0.016 0.000 1.258 130 D CA -2.092 51.919 54.000 0.019 0.000 0.907 130 D CB 1.473 42.286 40.800 0.021 0.000 1.107 130 D HN 0.174 nan 8.370 nan 0.000 0.495 131 P HA -0.174 nan 4.420 nan 0.000 0.219 131 P C 1.105 178.411 177.300 0.011 0.000 1.146 131 P CA 0.804 63.911 63.100 0.012 0.000 0.808 131 P CB 0.112 31.819 31.700 0.011 0.000 0.779 132 S N -1.027 114.680 115.700 0.012 0.000 2.555 132 S HA 0.011 4.481 4.470 0.000 0.000 0.230 132 S C 1.512 176.119 174.600 0.011 0.000 0.978 132 S CA 0.423 58.629 58.200 0.011 0.000 0.934 132 S CB -0.928 62.280 63.200 0.013 0.000 0.766 132 S HN 0.166 nan 8.310 nan 0.000 0.533 133 L N -0.236 120.995 121.223 0.014 0.000 3.360 133 L HA 0.373 4.713 4.340 0.000 0.000 0.303 133 L C 1.666 178.546 176.870 0.016 0.000 1.218 133 L CA -0.095 54.755 54.840 0.017 0.000 1.059 133 L CB -0.298 41.775 42.059 0.023 0.000 1.468 133 L HN 0.169 nan 8.230 nan 0.000 0.614 134 N N 2.169 120.877 118.700 0.013 0.000 2.006 134 N HA -0.221 4.519 4.740 0.000 0.000 0.196 134 N C 1.767 177.287 175.510 0.016 0.000 1.057 134 N CA 2.389 55.446 53.050 0.011 0.000 0.853 134 N CB -0.001 38.492 38.487 0.010 0.000 1.051 134 N HN 0.411 nan 8.380 nan 0.000 0.423 135 N N 0.606 119.317 118.700 0.018 0.000 2.258 135 N HA -0.186 4.554 4.740 0.000 0.000 0.187 135 N C 1.654 177.196 175.510 0.054 0.000 1.012 135 N CA 0.955 54.022 53.050 0.028 0.000 0.870 135 N CB -0.754 37.739 38.487 0.009 0.000 0.977 135 N HN 0.325 nan 8.380 nan 0.000 0.434 136 L N 0.742 121.989 121.223 0.039 0.000 2.072 136 L HA 0.164 4.504 4.340 0.000 0.000 0.205 136 L C 2.309 179.227 176.870 0.080 0.000 1.079 136 L CA 1.038 55.915 54.840 0.062 0.000 0.752 136 L CB -0.534 41.546 42.059 0.035 0.000 0.906 136 L HN 0.118 nan 8.230 nan 0.000 0.436 137 I N -1.013 119.580 120.570 0.038 0.000 2.252 137 I HA -0.281 3.889 4.170 0.000 0.000 0.245 137 I C 2.686 178.798 176.117 -0.008 0.000 1.102 137 I CA 1.098 62.402 61.300 0.006 0.000 1.385 137 I CB -0.389 37.601 38.000 -0.018 0.000 1.064 137 I HN 0.289 nan 8.210 nan 0.000 0.414 138 R N 1.045 121.550 120.500 0.008 0.000 2.082 138 R HA -0.248 4.092 4.340 0.000 0.000 0.234 138 R C 2.509 178.797 176.300 -0.020 0.000 1.136 138 R CA 2.049 58.144 56.100 -0.008 0.000 0.935 138 R CB -0.579 29.731 30.300 0.017 0.000 0.842 138 R HN 0.228 nan 8.270 nan 0.000 0.430 139 F N 0.871 120.765 119.950 -0.094 0.000 2.091 139 F HA -0.162 4.365 4.527 0.000 0.000 0.299 139 F C 2.058 177.755 175.800 -0.172 0.000 1.103 139 F CA 2.112 60.026 58.000 -0.143 0.000 1.228 139 F CB -0.694 38.209 39.000 -0.162 0.000 0.984 139 F HN 0.197 nan 8.300 nan 0.000 0.477 140 G N 0.512 109.233 108.800 -0.132 0.000 2.418 140 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 140 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 140 G C 1.745 176.525 174.900 -0.201 0.000 1.158 140 G CA 1.246 46.245 45.100 -0.168 0.000 0.771 140 G HN 0.481 nan 8.290 nan 0.000 0.545 141 I N 0.557 121.031 120.570 -0.160 0.000 2.163 141 I HA -0.134 4.036 4.170 0.000 0.000 0.240 141 I C 2.781 178.790 176.117 -0.179 0.000 1.081 141 I CA 1.304 62.517 61.300 -0.145 0.000 1.353 141 I CB -0.318 37.605 38.000 -0.129 0.000 1.054 141 I HN 0.257 nan 8.210 nan 0.000 0.407 142 E N 0.349 120.420 120.200 -0.216 0.000 2.160 142 E HA -0.252 4.098 4.350 0.000 0.000 0.195 142 E C 2.016 178.449 176.600 -0.278 0.000 0.991 142 E CA 0.869 57.139 56.400 -0.218 0.000 0.810 142 E CB -0.090 29.486 29.700 -0.207 0.000 0.742 142 E HN 0.477 nan 8.360 nan 0.000 0.466 143 Q N 0.381 119.918 119.800 -0.438 0.000 2.389 143 Q HA 0.085 4.425 4.340 0.000 0.000 0.204 143 Q C 0.654 176.554 176.000 -0.166 0.000 0.944 143 Q CA 0.292 55.855 55.803 -0.401 0.000 0.908 143 Q CB 0.335 28.614 28.738 -0.764 0.000 1.002 143 Q HN 0.063 nan 8.270 nan 0.000 0.493 144 S N 1.613 117.227 115.700 -0.143 0.000 2.585 144 S HA 0.061 4.531 4.470 0.000 0.000 0.273 144 S C 0.734 175.294 174.600 -0.066 0.000 1.339 144 S CA -0.442 57.715 58.200 -0.073 0.000 1.028 144 S CB 0.867 64.025 63.200 -0.069 0.000 0.906 144 S HN 0.168 nan 8.310 nan 0.000 0.528 145 D N 0.292 120.663 120.400 -0.048 0.000 2.162 145 D HA 0.043 4.683 4.640 0.000 0.000 0.203 145 D C 0.272 176.543 176.300 -0.050 0.000 0.967 145 D CA 1.117 55.090 54.000 -0.045 0.000 0.840 145 D CB 0.187 40.964 40.800 -0.038 0.000 0.972 145 D HN 0.223 nan 8.370 nan 0.000 0.482 146 V N 0.826 120.707 119.914 -0.056 0.000 2.841 146 V HA 0.412 4.532 4.120 0.000 0.000 0.310 146 V C -0.274 175.778 176.094 -0.070 0.000 1.090 146 V CA -0.830 61.432 62.300 -0.062 0.000 0.930 146 V CB 3.009 34.795 31.823 -0.061 0.000 1.014 146 V HN -0.262 nan 8.190 nan 0.000 0.425 147 V N 2.590 122.458 119.914 -0.077 0.000 2.709 147 V HA 0.838 4.958 4.120 0.000 0.000 0.308 147 V C -0.077 175.958 176.094 -0.099 0.000 1.062 147 V CA -0.278 61.972 62.300 -0.084 0.000 0.901 147 V CB 2.347 34.113 31.823 -0.095 0.000 1.003 147 V HN 1.098 nan 8.190 nan 0.000 0.425 148 T N 1.318 115.813 114.554 -0.098 0.000 2.901 148 T HA 0.952 5.302 4.350 0.000 0.000 0.293 148 T C -0.574 174.021 174.700 -0.174 0.000 1.084 148 T CA -0.201 61.816 62.100 -0.138 0.000 1.008 148 T CB 2.284 71.086 68.868 -0.111 0.000 1.170 148 T HN 1.311 nan 8.240 nan 0.000 0.509 149 A N 0.747 123.419 122.820 -0.246 0.000 2.485 149 A HA 0.766 5.086 4.320 0.000 0.000 0.292 149 A C 1.077 178.432 177.584 -0.382 0.000 1.147 149 A CA -0.273 51.591 52.037 -0.289 0.000 0.750 149 A CB 1.291 20.137 19.000 -0.256 0.000 1.331 149 A HN 1.697 nan 8.150 nan 0.000 0.419 150 V N -1.508 118.157 119.914 -0.414 0.000 3.406 150 V HA 0.358 4.478 4.120 0.000 0.000 0.263 150 V C 0.584 176.303 176.094 -0.625 0.000 1.172 150 V CA 1.192 63.172 62.300 -0.534 0.000 1.140 150 V CB -1.106 30.401 31.823 -0.526 0.000 0.784 150 V HN 1.525 nan 8.190 nan 0.000 0.467 151 S N -2.143 113.298 115.700 -0.432 0.000 2.547 151 S HA 0.482 4.952 4.470 0.000 0.000 0.270 151 S C 0.043 174.512 174.600 -0.218 0.000 1.150 151 S CA -0.296 57.750 58.200 -0.257 0.000 0.850 151 S CB 1.235 64.437 63.200 0.003 0.000 1.118 151 S HN 0.266 nan 8.310 nan 0.000 0.461 152 H N 1.115 120.166 119.070 -0.033 0.000 2.421 152 H HA 0.036 4.592 4.556 0.000 0.000 0.298 152 H C 2.323 177.661 175.328 0.017 0.000 1.087 152 H CA 1.951 57.991 56.048 -0.013 0.000 1.330 152 H CB 0.014 29.796 29.762 0.034 0.000 1.388 152 H HN 0.601 nan 8.280 nan 0.000 0.526 153 S N -0.026 115.769 115.700 0.159 0.000 2.383 153 S HA -0.139 4.331 4.470 0.000 0.000 0.229 153 S C 2.067 176.703 174.600 0.060 0.000 1.030 153 S CA 0.944 59.212 58.200 0.113 0.000 1.002 153 S CB -0.274 62.999 63.200 0.121 0.000 0.829 153 S HN 0.280 nan 8.310 nan 0.000 0.467 154 L N 1.828 123.060 121.223 0.016 0.000 2.027 154 L HA 0.154 4.494 4.340 0.000 0.000 0.206 154 L C 2.017 178.860 176.870 -0.046 0.000 1.074 154 L CA 1.653 56.477 54.840 -0.027 0.000 0.745 154 L CB -0.690 41.322 42.059 -0.078 0.000 0.898 154 L HN 0.392 nan 8.230 nan 0.000 0.433 155 I N -0.362 120.176 120.570 -0.054 0.000 2.530 155 I HA -0.289 3.881 4.170 0.000 0.000 0.257 155 I C 2.088 178.245 176.117 0.066 0.000 1.179 155 I CA 0.908 62.188 61.300 -0.034 0.000 1.440 155 I CB -0.508 37.486 38.000 -0.010 0.000 1.087 155 I HN 0.443 nan 8.210 nan 0.000 0.440 156 N N 0.421 119.166 118.700 0.075 0.000 2.220 156 N HA -0.111 4.629 4.740 0.000 0.000 0.182 156 N C 1.724 177.278 175.510 0.072 0.000 1.023 156 N CA 0.863 53.974 53.050 0.101 0.000 0.856 156 N CB 0.119 38.657 38.487 0.086 0.000 0.997 156 N HN 0.296 nan 8.380 nan 0.000 0.429 157 E N 0.404 120.625 120.200 0.036 0.000 2.118 157 E HA -0.105 4.245 4.350 0.000 0.000 0.195 157 E C 1.664 178.259 176.600 -0.008 0.000 0.992 157 E CA 1.008 57.420 56.400 0.020 0.000 0.804 157 E CB -0.247 29.462 29.700 0.014 0.000 0.741 157 E HN 0.350 nan 8.360 nan 0.000 0.458 158 T N 0.544 115.065 114.554 -0.056 0.000 2.674 158 T HA -0.125 4.225 4.350 0.000 0.000 0.265 158 T C 1.621 176.237 174.700 -0.140 0.000 1.039 158 T CA 1.012 63.029 62.100 -0.138 0.000 1.150 158 T CB -0.253 68.461 68.868 -0.256 0.000 0.864 158 T HN 0.252 nan 8.240 nan 0.000 0.427 159 H N 0.542 119.602 119.070 -0.017 0.000 2.524 159 H HA 0.097 4.653 4.556 0.000 0.000 0.282 159 H C 2.275 177.599 175.328 -0.006 0.000 1.016 159 H CA 0.870 56.910 56.048 -0.013 0.000 1.270 159 H CB 0.120 29.875 29.762 -0.012 0.000 1.394 159 H HN 0.545 nan 8.280 nan 0.000 0.568 160 E N 0.480 120.738 120.200 0.096 0.000 2.075 160 E HA -0.037 4.313 4.350 0.000 0.000 0.190 160 E C 1.916 178.538 176.600 0.036 0.000 0.969 160 E CA 0.173 56.610 56.400 0.061 0.000 0.815 160 E CB 0.333 30.063 29.700 0.049 0.000 0.776 160 E HN 0.304 nan 8.360 nan 0.000 0.457 161 L N 0.055 121.290 121.223 0.019 0.000 2.145 161 L HA 0.000 4.340 4.340 0.000 0.000 0.201 161 L C 2.410 179.282 176.870 0.003 0.000 1.075 161 L CA 0.342 55.188 54.840 0.010 0.000 0.773 161 L CB -0.145 41.917 42.059 0.004 0.000 0.936 161 L HN 0.025 nan 8.230 nan 0.000 0.451 162 V N -0.962 118.943 119.914 -0.015 0.000 2.535 162 V HA -0.063 4.057 4.120 0.000 0.000 0.246 162 V C 0.808 176.899 176.094 -0.006 0.000 1.045 162 V CA 0.554 62.841 62.300 -0.022 0.000 1.058 162 V CB -0.499 31.291 31.823 -0.056 0.000 0.689 162 V HN 0.465 nan 8.190 nan 0.000 0.461 163 K N -0.232 120.174 120.400 0.011 0.000 3.244 163 K HA -0.141 4.179 4.320 0.000 0.000 0.270 163 K C -2.366 174.267 176.600 0.056 0.000 1.016 163 K CA 0.326 56.652 56.287 0.065 0.000 0.754 163 K CB -1.491 31.040 32.500 0.052 0.000 1.326 163 K HN 0.471 nan 8.250 nan 0.000 0.465 164 P HA 0.043 nan 4.420 nan 0.000 0.277 164 P C -0.790 176.549 177.300 0.066 0.000 1.240 164 P CA -0.192 62.910 63.100 0.004 0.000 0.798 164 P CB 0.606 32.260 31.700 -0.078 0.000 0.979 165 N N 1.601 120.319 118.700 0.029 0.000 3.322 165 N HA 0.188 4.928 4.740 0.000 0.000 0.290 165 N C -0.059 175.461 175.510 0.016 0.000 1.297 165 N CA -0.167 52.904 53.050 0.033 0.000 1.167 165 N CB 0.096 38.590 38.487 0.011 0.000 1.434 165 N HN 0.319 nan 8.380 nan 0.000 0.526 166 K N 0.430 120.857 120.400 0.044 0.000 2.556 166 K HA 0.285 4.605 4.320 0.000 0.000 0.274 166 K C -2.017 174.617 176.600 0.057 0.000 0.966 166 K CA -0.692 55.601 56.287 0.010 0.000 0.865 166 K CB 1.483 33.956 32.500 -0.045 0.000 1.444 166 K HN -0.112 nan 8.250 nan 0.000 0.433 167 D N 2.163 122.576 120.400 0.020 0.000 2.210 167 D HA 0.365 5.005 4.640 0.000 0.000 0.249 167 D C -0.359 175.941 176.300 -0.001 0.000 1.078 167 D CA 0.032 54.053 54.000 0.034 0.000 0.875 167 D CB 0.909 41.709 40.800 0.000 0.000 1.175 167 D HN 0.394 nan 8.370 nan 0.000 0.440 168 I N 2.070 122.650 120.570 0.017 0.000 2.406 168 I HA 0.166 4.336 4.170 0.000 0.000 0.290 168 I C 0.538 176.608 176.117 -0.079 0.000 0.999 168 I CA -0.736 60.530 61.300 -0.058 0.000 1.124 168 I CB 1.520 39.463 38.000 -0.096 0.000 1.289 168 I HN 0.025 nan 8.210 nan 0.000 0.441 169 Q N 3.294 123.019 119.800 -0.124 0.000 2.249 169 Q HA 0.476 4.816 4.340 0.000 0.000 0.226 169 Q C -0.608 175.235 176.000 -0.262 0.000 0.983 169 Q CA -0.548 55.155 55.803 -0.166 0.000 0.930 169 Q CB 1.511 30.145 28.738 -0.173 0.000 1.193 169 Q HN 0.515 nan 8.270 nan 0.000 0.508 170 T N 0.769 115.114 114.554 -0.348 0.000 2.807 170 T HA 0.515 4.865 4.350 0.000 0.000 0.279 170 T C -1.062 173.310 174.700 -0.548 0.000 0.993 170 T CA -0.542 61.226 62.100 -0.553 0.000 0.970 170 T CB 1.024 69.355 68.868 -0.896 0.000 0.950 170 T HN 0.261 nan 8.240 nan 0.000 0.441 171 V N 4.084 123.661 119.914 -0.562 0.000 2.532 171 V HA 0.337 4.457 4.120 0.000 0.000 0.294 171 V C -1.005 174.879 176.094 -0.351 0.000 1.036 171 V CA -1.203 60.812 62.300 -0.474 0.000 0.876 171 V CB 0.721 32.157 31.823 -0.644 0.000 1.012 171 V HN 0.849 nan 8.190 nan 0.000 0.432 172 Y N 2.217 122.479 120.300 -0.063 0.000 2.330 172 Y HA 0.236 4.786 4.550 0.000 0.000 0.341 172 Y C 1.173 177.176 175.900 0.173 0.000 1.278 172 Y CA 0.204 58.292 58.100 -0.021 0.000 1.453 172 Y CB 0.668 39.364 38.460 0.393 0.000 1.342 172 Y HN 0.607 nan 8.280 nan 0.000 0.590 173 N N 0.611 119.532 118.700 0.369 0.000 2.445 173 N HA 0.390 5.130 4.740 0.000 0.000 0.264 173 N C -1.159 174.661 175.510 0.516 0.000 1.227 173 N CA -0.486 52.844 53.050 0.467 0.000 0.963 173 N CB 0.631 39.386 38.487 0.447 0.000 1.188 173 N HN 0.472 nan 8.380 nan 0.000 0.491 174 F N -1.458 118.643 119.950 0.251 0.000 2.691 174 F HA 0.773 5.300 4.527 0.000 0.000 0.334 174 F C -1.148 174.696 175.800 0.073 0.000 1.107 174 F CA -1.160 56.945 58.000 0.174 0.000 0.991 174 F CB 1.006 40.124 39.000 0.198 0.000 1.400 174 F HN 0.061 nan 8.300 nan 0.000 0.503 175 I N 0.876 121.559 120.570 0.189 0.000 2.769 175 I HA 0.214 4.384 4.170 0.000 0.000 0.298 175 I C -1.391 174.862 176.117 0.226 0.000 1.128 175 I CA -0.630 60.669 61.300 -0.002 0.000 1.031 175 I CB 1.763 39.634 38.000 -0.215 0.000 1.235 175 I HN 0.666 nan 8.210 nan 0.000 0.423 176 D N 4.214 124.756 120.400 0.237 0.000 2.374 176 D HA 0.147 4.787 4.640 0.000 0.000 0.240 176 D C 1.132 177.659 176.300 0.379 0.000 1.229 176 D CA 0.159 54.356 54.000 0.329 0.000 0.895 176 D CB 0.732 41.718 40.800 0.310 0.000 1.046 176 D HN 0.413 nan 8.370 nan 0.000 0.498 177 E N 2.310 122.711 120.200 0.335 0.000 2.267 177 E HA -0.226 4.124 4.350 0.000 0.000 0.197 177 E C 1.320 178.177 176.600 0.428 0.000 0.998 177 E CA 0.495 57.116 56.400 0.369 0.000 0.830 177 E CB 0.180 30.065 29.700 0.308 0.000 0.751 177 E HN 0.203 nan 8.360 nan 0.000 0.491 178 R N 0.475 121.184 120.500 0.348 0.000 2.357 178 R HA -0.037 4.303 4.340 0.000 0.000 0.202 178 R C 1.281 177.856 176.300 0.458 0.000 1.047 178 R CA 0.463 56.752 56.100 0.316 0.000 1.034 178 R CB 0.161 30.594 30.300 0.221 0.000 0.875 178 R HN 0.042 nan 8.270 nan 0.000 0.473 179 V N -1.845 118.331 119.914 0.436 0.000 3.431 179 V HA 0.203 4.323 4.120 0.000 0.000 0.255 179 V C -0.653 175.243 176.094 -0.331 0.000 1.403 179 V CA -0.083 62.297 62.300 0.134 0.000 1.101 179 V CB 0.245 32.108 31.823 0.066 0.000 0.891 179 V HN -0.050 nan 8.190 nan 0.000 0.446 180 Y N 1.967 122.279 120.300 0.020 0.000 2.464 180 Y HA 0.700 5.250 4.550 0.000 0.000 0.326 180 Y C -0.446 175.500 175.900 0.077 0.000 0.969 180 Y CA -1.667 56.361 58.100 -0.120 0.000 1.270 180 Y CB 0.816 39.268 38.460 -0.014 0.000 1.103 180 Y HN 0.177 nan 8.280 nan 0.000 0.491 181 F N -1.142 118.886 119.950 0.129 0.000 2.640 181 F HA 0.546 5.073 4.527 0.000 0.000 0.324 181 F C 0.658 176.505 175.800 0.078 0.000 1.077 181 F CA -1.931 56.131 58.000 0.104 0.000 0.965 181 F CB 1.256 40.301 39.000 0.074 0.000 1.351 181 F HN 0.017 nan 8.300 nan 0.000 0.487 182 K N 1.504 122.069 120.400 0.274 0.000 2.668 182 K HA 0.012 4.332 4.320 0.000 0.000 0.204 182 K C 0.536 177.229 176.600 0.155 0.000 1.016 182 K CA -0.157 56.226 56.287 0.160 0.000 1.131 182 K CB -0.173 32.404 32.500 0.130 0.000 0.891 182 K HN 0.677 nan 8.250 nan 0.000 0.499 183 R N 1.878 122.510 120.500 0.221 0.000 2.817 183 R HA -0.067 4.273 4.340 0.000 0.000 0.264 183 R C -0.625 175.725 176.300 0.082 0.000 1.009 183 R CA 0.550 56.764 56.100 0.191 0.000 1.133 183 R CB 0.088 30.537 30.300 0.249 0.000 1.013 183 R HN 0.028 nan 8.270 nan 0.000 0.453 184 D N 3.329 123.772 120.400 0.072 0.000 2.593 184 D HA 0.141 4.781 4.640 0.000 0.000 0.251 184 D C 0.024 176.349 176.300 0.041 0.000 1.140 184 D CA -0.791 53.237 54.000 0.047 0.000 0.855 184 D CB 1.352 42.181 40.800 0.049 0.000 1.267 184 D HN 0.371 nan 8.370 nan 0.000 0.532 185 M N 2.520 122.138 119.600 0.030 0.000 3.690 185 M HA 0.095 4.575 4.480 0.000 0.000 0.209 185 M C 1.408 177.735 176.300 0.045 0.000 1.403 185 M CA -0.237 55.085 55.300 0.036 0.000 1.621 185 M CB -0.701 31.919 32.600 0.034 0.000 1.056 185 M HN 0.487 nan 8.290 nan 0.000 0.593 186 T N 0.563 115.141 114.554 0.041 0.000 2.833 186 T HA -0.144 4.206 4.350 0.000 0.000 0.269 186 T C 1.592 176.318 174.700 0.043 0.000 1.054 186 T CA 1.801 63.925 62.100 0.040 0.000 1.135 186 T CB 0.228 69.116 68.868 0.033 0.000 0.869 186 T HN 0.620 nan 8.240 nan 0.000 0.466 187 Q N -0.246 119.578 119.800 0.041 0.000 2.230 187 Q HA 0.045 4.385 4.340 0.000 0.000 0.202 187 Q C 2.143 178.170 176.000 0.046 0.000 0.963 187 Q CA 0.869 56.693 55.803 0.036 0.000 0.866 187 Q CB -0.134 28.620 28.738 0.028 0.000 0.931 187 Q HN 0.378 nan 8.270 nan 0.000 0.452 188 L N 0.955 122.219 121.223 0.068 0.000 2.179 188 L HA -0.095 4.245 4.340 0.000 0.000 0.208 188 L C 1.590 178.574 176.870 0.189 0.000 1.096 188 L CA 1.647 56.556 54.840 0.115 0.000 0.779 188 L CB -0.051 42.094 42.059 0.144 0.000 0.922 188 L HN -0.061 nan 8.230 nan 0.000 0.443 189 K N -0.597 119.889 120.400 0.144 0.000 2.103 189 K HA -0.191 4.129 4.320 0.000 0.000 0.207 189 K C 2.138 178.818 176.600 0.133 0.000 1.048 189 K CA 1.167 57.540 56.287 0.143 0.000 0.930 189 K CB -0.224 32.322 32.500 0.077 0.000 0.716 189 K HN 0.117 nan 8.250 nan 0.000 0.444 190 K N 1.465 121.916 120.400 0.084 0.000 2.026 190 K HA -0.175 4.145 4.320 0.000 0.000 0.208 190 K C 1.994 178.615 176.600 0.035 0.000 1.048 190 K CA 1.451 57.769 56.287 0.052 0.000 0.929 190 K CB -0.040 32.479 32.500 0.032 0.000 0.713 190 K HN 0.177 nan 8.250 nan 0.000 0.439 191 E N -0.985 119.222 120.200 0.011 0.000 2.333 191 E HA -0.171 4.179 4.350 0.000 0.000 0.198 191 E C 0.940 177.433 176.600 -0.177 0.000 1.007 191 E CA 0.974 57.322 56.400 -0.087 0.000 0.845 191 E CB 0.068 29.690 29.700 -0.131 0.000 0.766 191 E HN 0.277 nan 8.360 nan 0.000 0.507 192 Y N -1.296 119.009 120.300 0.010 0.000 2.458 192 Y HA 0.259 4.809 4.550 0.000 0.000 0.256 192 Y C 1.352 177.264 175.900 0.019 0.000 1.159 192 Y CA 0.495 58.603 58.100 0.014 0.000 1.261 192 Y CB 1.351 39.818 38.460 0.011 0.000 1.119 192 Y HN 0.116 nan 8.280 nan 0.000 0.524 193 G N 1.347 110.221 108.800 0.124 0.000 2.137 193 G HA2 -0.303 3.657 3.960 0.000 0.000 0.237 193 G HA3 -0.303 3.657 3.960 0.000 0.000 0.237 193 G C -0.012 174.941 174.900 0.088 0.000 1.002 193 G CA 0.317 45.470 45.100 0.089 0.000 0.702 193 G HN 0.373 nan 8.290 nan 0.000 0.515 194 I N 0.338 120.967 120.570 0.097 0.000 2.562 194 I HA 0.645 4.815 4.170 0.000 0.000 0.301 194 I C 1.118 177.269 176.117 0.055 0.000 1.003 194 I CA -0.275 61.070 61.300 0.075 0.000 1.127 194 I CB 1.481 39.528 38.000 0.078 0.000 1.304 194 I HN 0.246 nan 8.210 nan 0.000 0.446 200 I N 3.289 123.887 120.570 0.047 0.000 2.389 200 I HA 0.317 4.487 4.170 0.000 0.000 0.288 200 I C -0.793 175.349 176.117 0.042 0.000 0.999 200 I CA -1.122 60.199 61.300 0.036 0.000 1.129 200 I CB 1.241 39.240 38.000 -0.001 0.000 1.288 200 I HN 0.257 nan 8.210 nan 0.000 0.444 201 L N 7.610 128.849 121.223 0.027 0.000 2.298 201 L HA 0.483 4.823 4.340 0.000 0.000 0.284 201 L C -0.376 176.445 176.870 -0.082 0.000 1.013 201 L CA -0.177 54.667 54.840 0.006 0.000 0.824 201 L CB 1.431 43.525 42.059 0.059 0.000 1.221 201 L HN 0.435 nan 8.230 nan 0.000 0.418 202 I N 3.357 123.899 120.570 -0.046 0.000 2.441 202 I HA 0.376 4.546 4.170 0.000 0.000 0.295 202 I C -1.219 174.894 176.117 -0.005 0.000 0.994 202 I CA -0.499 60.765 61.300 -0.060 0.000 1.144 202 I CB 1.644 39.607 38.000 -0.062 0.000 1.314 202 I HN 0.740 nan 8.210 nan 0.000 0.445 203 H N 6.986 125.983 119.070 -0.122 0.000 2.782 203 H HA 0.605 5.161 4.556 0.000 0.000 0.347 203 H C -1.691 173.594 175.328 -0.071 0.000 1.038 203 H CA -0.503 55.478 56.048 -0.111 0.000 1.255 203 H CB 1.386 31.051 29.762 -0.162 0.000 1.623 203 H HN 0.437 nan 8.280 nan 0.000 0.525 204 I N 5.065 125.209 120.570 -0.710 0.000 2.436 204 I HA 0.509 4.679 4.170 0.000 0.000 0.289 204 I C -0.427 175.343 176.117 -0.578 0.000 1.010 204 I CA -0.467 60.536 61.300 -0.496 0.000 1.098 204 I CB 1.550 39.421 38.000 -0.215 0.000 1.266 204 I HN 0.777 nan 8.210 nan 0.000 0.434 205 S N 3.112 118.618 115.700 -0.323 0.000 2.661 205 S HA 0.331 4.801 4.470 0.000 0.000 0.268 205 S C -0.646 174.040 174.600 0.144 0.000 1.162 205 S CA -0.887 57.247 58.200 -0.110 0.000 0.817 205 S CB 1.393 64.534 63.200 -0.099 0.000 1.141 205 S HN 0.646 nan 8.310 nan 0.000 0.477 206 N N -0.252 118.540 118.700 0.154 0.000 2.320 206 N HA 0.263 5.003 4.740 0.000 0.000 0.237 206 N C -0.412 175.313 175.510 0.358 0.000 1.129 206 N CA -0.595 52.586 53.050 0.219 0.000 0.854 206 N CB -0.971 37.580 38.487 0.106 0.000 1.083 206 N HN 0.556 nan 8.380 nan 0.000 0.504 207 F N 0.059 120.074 119.950 0.108 0.000 2.925 207 F HA -0.315 4.212 4.527 0.000 0.000 0.239 207 F C 0.535 176.395 175.800 0.101 0.000 1.009 207 F CA 0.527 58.608 58.000 0.136 0.000 0.847 207 F CB -1.519 37.605 39.000 0.207 0.000 0.719 207 F HN 0.250 nan 8.300 nan 0.000 0.826 208 R N -0.052 120.542 120.500 0.157 0.000 2.674 208 R HA 0.360 4.700 4.340 0.000 0.000 0.266 208 R C 1.450 177.787 176.300 0.061 0.000 1.016 208 R CA -0.956 55.207 56.100 0.106 0.000 1.062 208 R CB 0.945 31.293 30.300 0.080 0.000 1.142 208 R HN 0.162 nan 8.270 nan 0.000 0.517 209 K N 0.321 120.753 120.400 0.052 0.000 2.147 209 K HA -0.107 4.213 4.320 0.000 0.000 0.205 209 K C 1.729 178.339 176.600 0.017 0.000 1.049 209 K CA 1.137 57.443 56.287 0.031 0.000 0.936 209 K CB -0.046 32.473 32.500 0.032 0.000 0.722 209 K HN 0.270 nan 8.250 nan 0.000 0.446 210 V N 1.754 121.683 119.914 0.026 0.000 2.626 210 V HA -0.179 3.941 4.120 0.000 0.000 0.252 210 V C 1.855 177.958 176.094 0.015 0.000 1.067 210 V CA 1.418 63.733 62.300 0.024 0.000 1.081 210 V CB -0.446 31.398 31.823 0.036 0.000 0.686 210 V HN 0.196 nan 8.190 nan 0.000 0.468 211 K N -0.123 120.283 120.400 0.010 0.000 2.365 211 K HA 0.033 4.353 4.320 0.000 0.000 0.199 211 K C 0.652 177.222 176.600 -0.051 0.000 1.045 211 K CA 0.063 56.350 56.287 0.000 0.000 0.962 211 K CB -0.193 32.312 32.500 0.010 0.000 0.759 211 K HN 0.337 nan 8.250 nan 0.000 0.469 212 R N 0.213 120.678 120.500 -0.058 0.000 3.264 212 R HA -0.123 4.217 4.340 0.000 0.000 0.251 212 R C 0.905 177.106 176.300 -0.165 0.000 0.971 212 R CA 0.412 56.462 56.100 -0.083 0.000 0.658 212 R CB -2.990 27.273 30.300 -0.062 0.000 1.095 212 R HN 0.037 nan 8.270 nan 0.000 0.443 213 V N 0.137 119.916 119.914 -0.224 0.000 2.720 213 V HA -0.323 3.797 4.120 0.000 0.000 0.256 213 V C 2.309 178.242 176.094 -0.268 0.000 1.082 213 V CA 2.297 64.369 62.300 -0.380 0.000 1.101 213 V CB -0.224 31.269 31.823 -0.550 0.000 0.693 213 V HN 0.414 nan 8.190 nan 0.000 0.479 214 Q N 0.476 120.185 119.800 -0.151 0.000 2.096 214 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 214 Q C 1.895 177.839 176.000 -0.093 0.000 0.982 214 Q CA 1.961 57.710 55.803 -0.090 0.000 0.850 214 Q CB -0.541 28.169 28.738 -0.047 0.000 0.901 214 Q HN 0.563 nan 8.270 nan 0.000 0.422 215 D N -0.059 120.278 120.400 -0.105 0.000 2.178 215 D HA -0.093 4.547 4.640 0.000 0.000 0.201 215 D C 1.862 178.094 176.300 -0.112 0.000 0.980 215 D CA 0.892 54.839 54.000 -0.088 0.000 0.842 215 D CB -0.061 40.692 40.800 -0.078 0.000 0.948 215 D HN 0.110 nan 8.370 nan 0.000 0.472 216 V N 0.582 120.375 119.914 -0.203 0.000 2.515 216 V HA -0.166 3.954 4.120 0.000 0.000 0.250 216 V C 2.559 178.574 176.094 -0.133 0.000 1.058 216 V CA 0.859 63.014 62.300 -0.242 0.000 1.064 216 V CB -0.272 31.233 31.823 -0.530 0.000 0.675 216 V HN 0.063 nan 8.190 nan 0.000 0.461 217 V N -0.708 119.136 119.914 -0.116 0.000 2.302 217 V HA -0.182 3.938 4.120 0.000 0.000 0.243 217 V C 2.604 178.734 176.094 0.060 0.000 1.036 217 V CA 1.491 63.782 62.300 -0.015 0.000 1.020 217 V CB -0.593 31.213 31.823 -0.029 0.000 0.657 217 V HN 0.460 nan 8.190 nan 0.000 0.453 218 Q N 0.346 120.153 119.800 0.013 0.000 2.062 218 Q HA -0.254 4.086 4.340 0.000 0.000 0.209 218 Q C 2.429 178.441 176.000 0.020 0.000 0.996 218 Q CA 2.295 58.107 55.803 0.015 0.000 0.859 218 Q CB -0.945 27.789 28.738 -0.007 0.000 0.920 218 Q HN 0.638 nan 8.270 nan 0.000 0.415 219 A N 0.075 122.904 122.820 0.017 0.000 1.940 219 A HA -0.174 4.146 4.320 0.000 0.000 0.219 219 A C 1.975 179.593 177.584 0.057 0.000 1.176 219 A CA 1.344 53.392 52.037 0.019 0.000 0.631 219 A CB -0.861 18.143 19.000 0.007 0.000 0.814 219 A HN 0.387 nan 8.150 nan 0.000 0.446 220 F N 0.533 120.447 119.950 -0.060 0.000 2.206 220 F HA 0.048 4.575 4.527 0.000 0.000 0.298 220 F C 2.487 178.268 175.800 -0.032 0.000 1.090 220 F CA 0.985 58.956 58.000 -0.049 0.000 1.323 220 F CB -0.104 38.858 39.000 -0.063 0.000 1.028 220 F HN 0.264 nan 8.300 nan 0.000 0.492 221 A N 0.629 123.452 122.820 0.005 0.000 1.908 221 A HA -0.224 4.096 4.320 0.000 0.000 0.218 221 A C 2.169 179.673 177.584 -0.133 0.000 1.181 221 A CA 2.057 54.056 52.037 -0.064 0.000 0.627 221 A CB -0.553 18.457 19.000 0.016 0.000 0.818 221 A HN 0.477 nan 8.150 nan 0.000 0.445 222 K N -0.689 119.651 120.400 -0.100 0.000 2.005 222 K HA 0.104 4.424 4.320 0.000 0.000 0.206 222 K C 1.888 178.404 176.600 -0.140 0.000 1.044 222 K CA 0.975 57.204 56.287 -0.096 0.000 0.942 222 K CB -0.378 32.088 32.500 -0.058 0.000 0.727 222 K HN 0.358 nan 8.250 nan 0.000 0.439 223 I N 1.954 122.435 120.570 -0.148 0.000 2.502 223 I HA -0.211 3.959 4.170 0.000 0.000 0.258 223 I C 1.913 177.877 176.117 -0.255 0.000 1.172 223 I CA 1.252 62.459 61.300 -0.156 0.000 1.430 223 I CB -0.200 37.752 38.000 -0.080 0.000 1.086 223 I HN -0.015 nan 8.210 nan 0.000 0.440 224 V N 0.947 120.610 119.914 -0.418 0.000 2.649 224 V HA -0.192 3.928 4.120 0.000 0.000 0.248 224 V C 2.622 178.577 176.094 -0.232 0.000 1.054 224 V CA 1.995 64.025 62.300 -0.450 0.000 1.073 224 V CB -0.372 31.035 31.823 -0.693 0.000 0.699 224 V HN 0.682 nan 8.190 nan 0.000 0.463 225 T N -2.374 112.075 114.554 -0.176 0.000 2.833 225 T HA -0.188 4.162 4.350 0.000 0.000 0.269 225 T C 1.443 176.090 174.700 -0.088 0.000 1.054 225 T CA 1.871 63.905 62.100 -0.110 0.000 1.135 225 T CB -0.313 68.504 68.868 -0.085 0.000 0.869 225 T HN 0.646 nan 8.240 nan 0.000 0.466 226 E N -0.067 120.077 120.200 -0.092 0.000 2.498 226 E HA 0.345 4.695 4.350 0.000 0.000 0.203 226 E C -0.538 176.024 176.600 -0.063 0.000 1.013 226 E CA -0.125 56.235 56.400 -0.067 0.000 0.927 226 E CB 1.186 30.852 29.700 -0.057 0.000 1.012 226 E HN 0.319 nan 8.360 nan 0.000 0.482 227 V N 2.376 122.240 119.914 -0.082 0.000 2.891 227 V HA 0.041 4.161 4.120 0.000 0.000 0.304 227 V C -1.104 174.944 176.094 -0.076 0.000 1.171 227 V CA -1.179 61.082 62.300 -0.064 0.000 0.943 227 V CB 2.344 34.137 31.823 -0.050 0.000 1.037 227 V HN 0.137 nan 8.190 nan 0.000 0.427 228 D N 3.766 124.141 120.400 -0.042 0.000 2.339 228 D HA 0.644 5.284 4.640 0.000 0.000 0.241 228 D C -0.338 175.968 176.300 0.009 0.000 1.183 228 D CA -0.009 53.975 54.000 -0.026 0.000 0.859 228 D CB 1.895 42.690 40.800 -0.009 0.000 1.067 228 D HN 0.825 nan 8.370 nan 0.000 0.484 229 A N 1.409 124.251 122.820 0.037 0.000 2.604 229 A HA 0.700 5.020 4.320 0.000 0.000 0.295 229 A C -0.639 177.149 177.584 0.341 0.000 1.067 229 A CA -0.691 51.433 52.037 0.145 0.000 0.683 229 A CB 1.395 20.494 19.000 0.165 0.000 1.281 229 A HN 0.818 nan 8.150 nan 0.000 0.407 230 K N 0.134 120.708 120.400 0.290 0.000 2.156 230 K HA 0.829 5.149 4.320 0.000 0.000 0.250 230 K C -0.997 175.575 176.600 -0.046 0.000 0.955 230 K CA -0.476 55.964 56.287 0.256 0.000 0.855 230 K CB 1.421 33.977 32.500 0.094 0.000 1.101 230 K HN 1.718 nan 8.250 nan 0.000 0.434 231 L N 1.862 122.757 121.223 -0.547 0.000 2.287 231 L HA 0.521 4.861 4.340 0.000 0.000 0.287 231 L C -0.835 175.764 176.870 -0.452 0.000 1.022 231 L CA -0.843 53.496 54.840 -0.834 0.000 0.814 231 L CB 0.998 42.062 42.059 -1.658 0.000 1.217 231 L HN 0.661 nan 8.230 nan 0.000 0.420 232 L N 6.633 127.674 121.223 -0.304 0.000 2.261 232 L HA 0.341 4.681 4.340 0.000 0.000 0.289 232 L C -0.475 176.285 176.870 -0.183 0.000 1.059 232 L CA -0.171 54.533 54.840 -0.226 0.000 0.816 232 L CB 0.670 42.613 42.059 -0.195 0.000 1.191 232 L HN 0.530 nan 8.230 nan 0.000 0.431 233 L N 5.398 126.505 121.223 -0.194 0.000 2.314 233 L HA 0.330 4.670 4.340 0.000 0.000 0.275 233 L C -0.241 176.696 176.870 0.112 0.000 1.068 233 L CA -0.522 54.293 54.840 -0.041 0.000 0.894 233 L CB 1.159 43.108 42.059 -0.183 0.000 1.275 233 L HN 0.306 nan 8.230 nan 0.000 0.432 234 V N 2.667 122.632 119.914 0.085 0.000 2.583 234 V HA 0.791 4.911 4.120 0.000 0.000 0.287 234 V C 0.761 176.974 176.094 0.198 0.000 1.051 234 V CA 0.092 62.440 62.300 0.079 0.000 1.010 234 V CB 1.021 32.837 31.823 -0.013 0.000 0.988 234 V HN 0.968 nan 8.190 nan 0.000 0.478 235 G N 3.797 112.680 108.800 0.137 0.000 2.497 235 G HA2 0.242 4.202 3.960 0.000 0.000 0.686 235 G HA3 0.242 4.202 3.960 0.000 0.000 0.686 235 G C -1.499 173.339 174.900 -0.104 0.000 1.288 235 G CA -0.232 44.955 45.100 0.146 0.000 0.899 235 G HN 0.958 nan 8.290 nan 0.000 0.608 236 D N -0.951 119.384 120.400 -0.109 0.000 2.837 236 D HA 0.796 5.436 4.640 0.000 0.000 0.220 236 D C 0.292 176.561 176.300 -0.053 0.000 1.236 236 D CA 1.245 55.066 54.000 -0.298 0.000 0.838 236 D CB 1.506 42.100 40.800 -0.344 0.000 1.647 236 D HN 1.593 nan 8.370 nan 0.000 0.486 237 G N 1.717 110.532 108.800 0.026 0.000 2.489 237 G HA2 0.377 4.337 3.960 0.000 0.000 0.305 237 G HA3 0.377 4.337 3.960 0.000 0.000 0.305 237 G C -2.262 172.744 174.900 0.176 0.000 1.311 237 G CA -0.722 44.465 45.100 0.145 0.000 0.813 237 G HN 0.352 nan 8.290 nan 0.000 0.480 238 P HA -0.055 nan 4.420 nan 0.000 0.214 238 P C 1.174 178.590 177.300 0.193 0.000 1.163 238 P CA 1.093 64.273 63.100 0.134 0.000 0.889 238 P CB 0.266 32.025 31.700 0.098 0.000 0.790 239 E N -1.744 118.600 120.200 0.240 0.000 2.461 239 E HA -0.071 4.279 4.350 0.000 0.000 0.196 239 E C 1.360 178.173 176.600 0.356 0.000 1.129 239 E CA 0.088 56.634 56.400 0.243 0.000 0.902 239 E CB -0.869 28.946 29.700 0.192 0.000 0.963 239 E HN 0.340 nan 8.360 nan 0.000 0.503 240 F N 0.562 120.647 119.950 0.224 0.000 2.075 240 F HA -0.277 4.250 4.527 0.000 0.000 0.297 240 F C 2.203 178.074 175.800 0.118 0.000 1.113 240 F CA 1.453 59.556 58.000 0.172 0.000 1.218 240 F CB -0.223 38.732 39.000 -0.076 0.000 0.984 240 F HN 0.073 nan 8.300 nan 0.000 0.472 241 C N -0.006 119.438 119.300 0.239 0.000 2.413 241 C HA -0.193 4.267 4.460 0.000 0.000 0.276 241 C C 2.679 177.676 174.990 0.012 0.000 1.248 241 C CA 1.695 60.771 59.018 0.096 0.000 1.742 241 C CB -1.576 26.230 27.740 0.110 0.000 2.017 241 C HN 0.572 nan 8.230 nan 0.000 0.481 242 T N 1.637 116.224 114.554 0.055 0.000 2.684 242 T HA -0.117 4.233 4.350 0.000 0.000 0.267 242 T C 1.678 176.395 174.700 0.029 0.000 1.036 242 T CA 1.311 63.435 62.100 0.040 0.000 1.148 242 T CB -0.226 68.677 68.868 0.058 0.000 0.863 242 T HN 0.307 nan 8.240 nan 0.000 0.436 243 I N 0.856 121.457 120.570 0.052 0.000 2.315 243 I HA -0.032 4.138 4.170 0.000 0.000 0.248 243 I C 2.278 178.445 176.117 0.083 0.000 1.117 243 I CA 0.825 62.178 61.300 0.087 0.000 1.404 243 I CB -1.278 36.849 38.000 0.212 0.000 1.071 243 I HN 0.209 nan 8.210 nan 0.000 0.419 244 L N 0.816 121.963 121.223 -0.126 0.000 2.056 244 L HA -0.202 4.138 4.340 0.000 0.000 0.207 244 L C 2.498 179.296 176.870 -0.120 0.000 1.078 244 L CA 1.779 56.434 54.840 -0.308 0.000 0.749 244 L CB -0.831 40.890 42.059 -0.564 0.000 0.901 244 L HN 0.168 nan 8.230 nan 0.000 0.433 245 Q N -0.847 118.911 119.800 -0.069 0.000 2.119 245 Q HA -0.185 4.155 4.340 0.000 0.000 0.201 245 Q C 2.060 178.052 176.000 -0.012 0.000 0.972 245 Q CA 1.868 57.648 55.803 -0.037 0.000 0.847 245 Q CB -0.473 28.254 28.738 -0.018 0.000 0.903 245 Q HN 0.502 nan 8.270 nan 0.000 0.433 246 L N -0.372 120.859 121.223 0.013 0.000 1.988 246 L HA -0.107 4.233 4.340 0.000 0.000 0.207 246 L C 2.281 179.179 176.870 0.047 0.000 1.071 246 L CA 1.952 56.810 54.840 0.030 0.000 0.744 246 L CB -0.894 41.188 42.059 0.037 0.000 0.893 246 L HN 0.299 nan 8.230 nan 0.000 0.433 247 V N -2.595 117.375 119.914 0.094 0.000 2.660 247 V HA -0.297 3.823 4.120 0.000 0.000 0.257 247 V C 2.495 178.624 176.094 0.057 0.000 1.088 247 V CA 2.118 64.492 62.300 0.124 0.000 1.106 247 V CB -1.160 30.816 31.823 0.255 0.000 0.686 247 V HN 0.522 nan 8.190 nan 0.000 0.481 248 K N 2.298 122.700 120.400 0.003 0.000 1.984 248 K HA -0.124 4.196 4.320 0.000 0.000 0.209 248 K C 1.539 178.039 176.600 -0.166 0.000 1.046 248 K CA 1.790 58.034 56.287 -0.072 0.000 0.934 248 K CB -0.217 32.240 32.500 -0.072 0.000 0.717 248 K HN 0.796 nan 8.250 nan 0.000 0.438 249 N N 0.308 118.942 118.700 -0.110 0.000 2.346 249 N HA 0.013 4.753 4.740 0.000 0.000 0.225 249 N C 0.254 175.754 175.510 -0.017 0.000 1.144 249 N CA 0.167 53.141 53.050 -0.126 0.000 0.837 249 N CB 0.663 39.133 38.487 -0.029 0.000 1.069 249 N HN 0.073 nan 8.380 nan 0.000 0.487 250 L N -1.038 120.176 121.223 -0.014 0.000 2.966 250 L HA 0.282 4.622 4.340 0.000 0.000 0.262 250 L C -0.354 176.651 176.870 0.225 0.000 1.165 250 L CA -0.208 54.717 54.840 0.141 0.000 0.978 250 L CB -0.556 41.560 42.059 0.095 0.000 1.337 250 L HN 0.229 nan 8.230 nan 0.000 0.563 251 H N -1.531 117.563 119.070 0.040 0.000 2.776 251 H HA -0.196 4.360 4.556 0.000 0.000 0.300 251 H C 0.884 176.243 175.328 0.053 0.000 1.161 251 H CA 1.292 57.363 56.048 0.039 0.000 1.147 251 H CB -1.980 27.796 29.762 0.023 0.000 1.366 251 H HN 0.358 nan 8.280 nan 0.000 0.397 252 I N -1.468 119.181 120.570 0.131 0.000 4.154 252 I HA 0.034 4.204 4.170 0.000 0.000 0.334 252 I C 2.167 178.378 176.117 0.157 0.000 1.371 252 I CA -0.136 61.258 61.300 0.156 0.000 1.110 252 I CB 0.197 38.318 38.000 0.202 0.000 1.085 252 I HN 0.162 nan 8.210 nan 0.000 0.398 253 E N 2.766 123.032 120.200 0.109 0.000 2.136 253 E HA -0.275 4.075 4.350 0.000 0.000 0.202 253 E C 0.718 177.394 176.600 0.127 0.000 1.019 253 E CA 2.217 58.681 56.400 0.107 0.000 0.819 253 E CB -0.011 29.710 29.700 0.035 0.000 0.739 253 E HN 0.682 nan 8.360 nan 0.000 0.458 254 D N -1.361 119.106 120.400 0.111 0.000 2.370 254 D HA 0.017 4.657 4.640 0.000 0.000 0.230 254 D C 0.893 177.268 176.300 0.125 0.000 1.143 254 D CA 0.023 54.087 54.000 0.107 0.000 0.834 254 D CB -0.146 40.706 40.800 0.087 0.000 0.944 254 D HN 0.016 nan 8.370 nan 0.000 0.504 255 R N -0.393 120.201 120.500 0.156 0.000 2.566 255 R HA 0.300 4.640 4.340 0.000 0.000 0.388 255 R C -0.918 175.463 176.300 0.136 0.000 0.989 255 R CA -0.156 56.058 56.100 0.191 0.000 1.164 255 R CB 1.682 32.155 30.300 0.289 0.000 1.459 255 R HN 0.021 nan 8.270 nan 0.000 0.553 256 V N 1.637 121.595 119.914 0.073 0.000 2.638 256 V HA 0.314 4.434 4.120 0.000 0.000 0.306 256 V C -1.009 175.082 176.094 -0.005 0.000 1.052 256 V CA -0.720 61.523 62.300 -0.096 0.000 0.885 256 V CB 2.445 34.214 31.823 -0.090 0.000 0.999 256 V HN 0.041 nan 8.190 nan 0.000 0.424 257 L N 5.701 126.865 121.223 -0.099 0.000 2.589 257 L HA 0.487 4.828 4.340 0.000 0.000 0.244 257 L C -0.194 176.725 176.870 0.082 0.000 1.159 257 L CA 0.043 54.913 54.840 0.049 0.000 1.074 257 L CB -0.194 41.871 42.059 0.011 0.000 1.391 257 L HN 0.424 nan 8.230 nan 0.000 0.423 258 F N 1.741 121.726 119.950 0.057 0.000 2.593 258 F HA -0.099 4.428 4.527 0.000 0.000 0.393 258 F C 1.202 177.063 175.800 0.102 0.000 1.037 258 F CA 0.146 58.209 58.000 0.105 0.000 1.195 258 F CB 0.357 39.450 39.000 0.154 0.000 1.034 258 F HN 0.237 nan 8.300 nan 0.000 0.552 259 L N 3.318 124.660 121.223 0.198 0.000 2.693 259 L HA 0.339 4.679 4.340 0.000 0.000 0.235 259 L C 1.115 178.051 176.870 0.110 0.000 1.127 259 L CA 0.516 55.441 54.840 0.143 0.000 0.914 259 L CB -0.561 41.539 42.059 0.069 0.000 1.193 259 L HN 0.894 nan 8.230 nan 0.000 0.502 260 G N 0.924 109.800 108.800 0.127 0.000 2.804 260 G HA2 -0.320 3.640 3.960 0.000 0.000 0.230 260 G HA3 -0.320 3.640 3.960 0.000 0.000 0.230 260 G C -0.068 174.824 174.900 -0.014 0.000 1.386 260 G CA -0.058 45.044 45.100 0.004 0.000 0.875 260 G HN 0.482 nan 8.290 nan 0.000 0.557 261 K N 0.330 120.693 120.400 -0.061 0.000 2.349 261 K HA 0.548 4.868 4.320 0.000 0.000 0.289 261 K C 0.194 176.782 176.600 -0.020 0.000 1.064 261 K CA -0.352 55.916 56.287 -0.031 0.000 0.947 261 K CB 1.093 33.565 32.500 -0.047 0.000 1.007 261 K HN 0.496 nan 8.250 nan 0.000 0.478 262 Q N 2.590 122.386 119.800 -0.006 0.000 2.195 262 Q HA 0.149 4.489 4.340 0.000 0.000 0.250 262 Q C -0.425 175.567 176.000 -0.013 0.000 0.988 262 Q CA -0.474 55.326 55.803 -0.006 0.000 0.911 262 Q CB 1.816 30.555 28.738 0.002 0.000 1.258 262 Q HN 0.831 nan 8.270 nan 0.000 0.475 263 D N -0.546 119.845 120.400 -0.016 0.000 2.766 263 D HA 0.030 4.670 4.640 0.000 0.000 0.284 263 D C -0.431 175.858 176.300 -0.020 0.000 1.050 263 D CA 0.229 54.218 54.000 -0.018 0.000 0.945 263 D CB 0.466 41.252 40.800 -0.023 0.000 1.272 263 D HN 0.348 nan 8.370 nan 0.000 0.482 264 N N 0.573 119.254 118.700 -0.031 0.000 3.245 264 N HA 0.059 4.799 4.740 0.000 0.000 0.296 264 N C 0.466 175.933 175.510 -0.072 0.000 1.254 264 N CA 0.008 53.022 53.050 -0.059 0.000 1.190 264 N CB 1.212 39.664 38.487 -0.058 0.000 1.460 264 N HN -0.048 nan 8.380 nan 0.000 0.538 265 V N 0.524 120.404 119.914 -0.056 0.000 3.510 265 V HA -0.001 4.119 4.120 0.000 0.000 0.270 265 V C 1.854 177.889 176.094 -0.099 0.000 1.201 265 V CA 0.997 63.266 62.300 -0.051 0.000 1.166 265 V CB -0.651 31.165 31.823 -0.011 0.000 0.825 265 V HN 0.581 nan 8.190 nan 0.000 0.484 266 A N 0.163 122.843 122.820 -0.233 0.000 1.908 266 A HA -0.232 4.088 4.320 0.000 0.000 0.218 266 A C 2.063 179.473 177.584 -0.290 0.000 1.181 266 A CA 2.060 53.831 52.037 -0.443 0.000 0.627 266 A CB -0.369 18.151 19.000 -0.799 0.000 0.818 266 A HN 0.690 nan 8.150 nan 0.000 0.445 267 E N -0.139 119.936 120.200 -0.208 0.000 2.107 267 E HA -0.105 4.245 4.350 0.000 0.000 0.191 267 E C 2.008 178.554 176.600 -0.091 0.000 0.982 267 E CA 0.991 57.310 56.400 -0.136 0.000 0.809 267 E CB -0.328 29.327 29.700 -0.075 0.000 0.756 267 E HN 0.661 nan 8.360 nan 0.000 0.459 268 L N 0.767 121.937 121.223 -0.088 0.000 2.027 268 L HA -0.171 4.169 4.340 0.000 0.000 0.206 268 L C 2.600 179.420 176.870 -0.083 0.000 1.074 268 L CA 0.906 55.684 54.840 -0.102 0.000 0.745 268 L CB -0.456 41.534 42.059 -0.115 0.000 0.898 268 L HN 0.116 nan 8.230 nan 0.000 0.433 269 L N -0.280 120.906 121.223 -0.062 0.000 2.046 269 L HA -0.211 4.129 4.340 0.000 0.000 0.208 269 L C 2.935 179.791 176.870 -0.025 0.000 1.077 269 L CA 1.086 55.909 54.840 -0.028 0.000 0.747 269 L CB -0.791 41.279 42.059 0.018 0.000 0.896 269 L HN 0.256 nan 8.230 nan 0.000 0.432 270 A N 1.126 123.914 122.820 -0.053 0.000 1.892 270 A HA -0.258 4.062 4.320 0.000 0.000 0.218 270 A C 2.064 179.642 177.584 -0.010 0.000 1.188 270 A CA 2.284 54.296 52.037 -0.043 0.000 0.631 270 A CB -0.658 18.288 19.000 -0.090 0.000 0.822 270 A HN 0.604 nan 8.150 nan 0.000 0.447 271 M N -1.227 118.361 119.600 -0.021 0.000 2.652 271 M HA 0.367 4.847 4.480 0.000 0.000 0.226 271 M C -0.188 176.105 176.300 -0.011 0.000 1.244 271 M CA 0.076 55.371 55.300 -0.008 0.000 0.986 271 M CB 0.011 32.605 32.600 -0.010 0.000 1.666 271 M HN 0.069 nan 8.290 nan 0.000 0.460 272 S N 0.085 115.785 115.700 0.001 0.000 2.704 272 S HA 0.439 4.909 4.470 0.000 0.000 0.305 272 S C 0.083 174.721 174.600 0.062 0.000 1.107 272 S CA -0.835 57.372 58.200 0.012 0.000 0.993 272 S CB 1.815 65.013 63.200 -0.004 0.000 1.110 272 S HN 0.418 nan 8.310 nan 0.000 0.534 273 D N -0.312 120.142 120.400 0.090 0.000 2.531 273 D HA 0.232 4.872 4.640 0.000 0.000 0.263 273 D C -0.521 175.919 176.300 0.234 0.000 1.057 273 D CA 0.287 54.407 54.000 0.199 0.000 0.909 273 D CB 0.565 41.452 40.800 0.145 0.000 1.236 273 D HN 0.175 nan 8.370 nan 0.000 0.494 274 L N 0.992 122.295 121.223 0.134 0.000 2.455 274 L HA 0.433 4.774 4.340 0.000 0.000 0.264 274 L C -1.524 175.377 176.870 0.052 0.000 0.968 274 L CA -0.348 54.552 54.840 0.100 0.000 0.827 274 L CB 2.534 44.669 42.059 0.127 0.000 1.317 274 L HN -0.232 nan 8.230 nan 0.000 0.407 275 M N 5.144 124.763 119.600 0.030 0.000 2.336 275 M HA 0.518 4.999 4.480 0.000 0.000 0.342 275 M C -1.560 174.756 176.300 0.027 0.000 1.128 275 M CA -0.602 54.708 55.300 0.017 0.000 1.016 275 M CB 1.516 34.111 32.600 -0.008 0.000 1.665 275 M HN 0.560 nan 8.290 nan 0.000 0.445 276 L N 4.703 125.954 121.223 0.047 0.000 2.346 276 L HA 0.618 4.958 4.340 0.000 0.000 0.276 276 L C -1.261 175.672 176.870 0.105 0.000 1.006 276 L CA -0.931 53.935 54.840 0.042 0.000 0.817 276 L CB 2.159 44.213 42.059 -0.008 0.000 1.272 276 L HN 0.535 nan 8.230 nan 0.000 0.421 277 L N 5.172 126.424 121.223 0.048 0.000 2.617 277 L HA 0.387 4.727 4.340 0.000 0.000 0.259 277 L C -0.945 175.931 176.870 0.009 0.000 0.995 277 L CA 0.170 55.048 54.840 0.063 0.000 0.899 277 L CB 1.263 43.340 42.059 0.030 0.000 1.181 277 L HN 0.471 nan 8.230 nan 0.000 0.437 278 L N 3.143 124.351 121.223 -0.024 0.000 3.096 278 L HA 0.427 4.767 4.340 0.000 0.000 0.272 278 L C 0.456 177.310 176.870 -0.027 0.000 1.311 278 L CA -0.353 54.467 54.840 -0.034 0.000 0.943 278 L CB 0.366 42.387 42.059 -0.064 0.000 1.348 278 L HN 0.536 nan 8.230 nan 0.000 0.562 279 S N -1.720 113.979 115.700 -0.001 0.000 2.617 279 S HA 0.253 4.723 4.470 0.000 0.000 0.269 279 S C 0.897 175.506 174.600 0.014 0.000 1.292 279 S CA -0.754 57.450 58.200 0.007 0.000 1.010 279 S CB 1.592 64.808 63.200 0.026 0.000 0.944 279 S HN 0.366 nan 8.310 nan 0.000 0.536 280 E N 0.842 121.052 120.200 0.016 0.000 2.268 280 E HA -0.015 4.335 4.350 0.000 0.000 0.195 280 E C -0.028 176.592 176.600 0.033 0.000 0.995 280 E CA 0.765 57.178 56.400 0.022 0.000 0.836 280 E CB 0.005 29.717 29.700 0.021 0.000 0.763 280 E HN 0.509 nan 8.360 nan 0.000 0.491 281 K N 0.228 120.652 120.400 0.040 0.000 2.568 281 K HA 0.451 4.771 4.320 0.000 0.000 0.273 281 K C -1.161 175.478 176.600 0.064 0.000 0.951 281 K CA -0.670 55.648 56.287 0.052 0.000 0.854 281 K CB 2.566 35.098 32.500 0.052 0.000 1.424 281 K HN -0.120 nan 8.250 nan 0.000 0.427 282 E N -0.334 119.913 120.200 0.079 0.000 2.401 282 E HA 0.216 4.566 4.350 0.000 0.000 0.283 282 E C -1.125 175.552 176.600 0.129 0.000 1.053 282 E CA -0.268 56.191 56.400 0.098 0.000 0.842 282 E CB 1.326 31.074 29.700 0.080 0.000 1.222 282 E HN 0.408 nan 8.360 nan 0.000 0.429 283 S N 2.830 118.629 115.700 0.164 0.000 2.502 283 S HA 0.306 4.776 4.470 0.000 0.000 0.215 283 S C 0.695 175.492 174.600 0.328 0.000 1.009 283 S CA 0.019 58.328 58.200 0.183 0.000 0.908 283 S CB 0.181 63.463 63.200 0.136 0.000 0.801 283 S HN 0.505 nan 8.310 nan 0.000 0.505 284 F N 0.695 120.682 119.950 0.061 0.000 2.083 284 F HA 0.448 4.975 4.527 0.000 0.000 0.259 284 F C 0.747 176.538 175.800 -0.014 0.000 0.953 284 F CA -0.205 57.821 58.000 0.043 0.000 1.156 284 F CB 0.400 39.432 39.000 0.053 0.000 1.297 284 F HN 0.254 nan 8.300 nan 0.000 0.733 285 G N 0.209 108.833 108.800 -0.294 0.000 2.533 285 G HA2 0.449 4.409 3.960 0.000 0.000 0.304 285 G HA3 0.449 4.409 3.960 0.000 0.000 0.304 285 G C -0.317 174.356 174.900 -0.379 0.000 1.263 285 G CA -0.563 44.490 45.100 -0.078 0.000 0.964 285 G HN 0.109 nan 8.290 nan 0.000 0.479 286 L N 1.589 122.659 121.223 -0.255 0.000 2.131 286 L HA -0.046 4.294 4.340 0.000 0.000 0.210 286 L C 3.086 179.777 176.870 -0.299 0.000 1.092 286 L CA 1.454 56.086 54.840 -0.346 0.000 0.759 286 L CB -1.053 40.871 42.059 -0.225 0.000 0.903 286 L HN 0.532 nan 8.230 nan 0.000 0.435 287 V N -1.287 118.507 119.914 -0.200 0.000 2.660 287 V HA -0.272 3.848 4.120 0.000 0.000 0.257 287 V C 2.225 178.198 176.094 -0.201 0.000 1.088 287 V CA 1.639 63.837 62.300 -0.171 0.000 1.106 287 V CB -0.502 31.244 31.823 -0.128 0.000 0.686 287 V HN 0.474 nan 8.190 nan 0.000 0.481 288 L N -1.166 119.905 121.223 -0.253 0.000 2.046 288 L HA -0.139 4.201 4.340 0.000 0.000 0.208 288 L C 2.607 179.320 176.870 -0.263 0.000 1.077 288 L CA 1.711 56.407 54.840 -0.240 0.000 0.747 288 L CB -0.523 41.365 42.059 -0.285 0.000 0.896 288 L HN 0.355 nan 8.230 nan 0.000 0.432 289 L N -0.167 120.829 121.223 -0.377 0.000 1.994 289 L HA -0.225 4.115 4.340 0.000 0.000 0.208 289 L C 2.511 179.210 176.870 -0.286 0.000 1.071 289 L CA 1.730 56.363 54.840 -0.346 0.000 0.745 289 L CB -0.668 41.137 42.059 -0.423 0.000 0.892 289 L HN 0.217 nan 8.230 nan 0.000 0.431 290 E N -0.592 119.388 120.200 -0.367 0.000 2.048 290 E HA -0.346 4.004 4.350 0.000 0.000 0.202 290 E C 2.190 178.715 176.600 -0.125 0.000 1.021 290 E CA 1.440 57.564 56.400 -0.459 0.000 0.825 290 E CB -0.478 28.995 29.700 -0.378 0.000 0.756 290 E HN 0.552 nan 8.360 nan 0.000 0.454 291 A N 1.505 124.274 122.820 -0.085 0.000 1.859 291 A HA -0.278 4.042 4.320 0.000 0.000 0.217 291 A C 2.281 179.854 177.584 -0.018 0.000 1.198 291 A CA 2.178 54.198 52.037 -0.028 0.000 0.629 291 A CB -0.712 18.257 19.000 -0.052 0.000 0.830 291 A HN 0.162 nan 8.150 nan 0.000 0.446 292 M N -0.829 118.740 119.600 -0.051 0.000 2.065 292 M HA -0.199 4.281 4.480 0.000 0.000 0.259 292 M C 2.540 178.850 176.300 0.017 0.000 1.071 292 M CA 1.616 56.902 55.300 -0.024 0.000 1.109 292 M CB -0.627 31.952 32.600 -0.034 0.000 1.313 292 M HN 0.499 nan 8.290 nan 0.000 0.408 293 A N -0.696 122.130 122.820 0.011 0.000 2.067 293 A HA -0.244 4.076 4.320 0.000 0.000 0.224 293 A C 1.930 179.585 177.584 0.119 0.000 1.172 293 A CA 1.844 53.925 52.037 0.073 0.000 0.662 293 A CB -1.256 17.768 19.000 0.041 0.000 0.814 293 A HN 0.683 nan 8.150 nan 0.000 0.468 294 C N -1.114 118.245 119.300 0.099 0.000 2.614 294 C HA 0.500 4.960 4.460 0.000 0.000 0.299 294 C C 1.820 176.856 174.990 0.076 0.000 1.293 294 C CA 0.026 59.105 59.018 0.102 0.000 1.713 294 C CB -1.365 26.424 27.740 0.081 0.000 1.890 294 C HN 1.172 nan 8.230 nan 0.000 0.602 295 G N 0.869 109.707 108.800 0.064 0.000 2.143 295 G HA2 -0.212 3.748 3.960 0.000 0.000 0.248 295 G HA3 -0.212 3.748 3.960 0.000 0.000 0.248 295 G C -0.015 174.896 174.900 0.019 0.000 0.991 295 G CA 0.415 45.542 45.100 0.045 0.000 0.689 295 G HN 0.452 nan 8.290 nan 0.000 0.522 296 V N 2.757 122.677 119.914 0.011 0.000 2.333 296 V HA 0.433 4.553 4.120 0.000 0.000 0.274 296 V C -1.167 174.899 176.094 -0.047 0.000 1.028 296 V CA -1.593 60.703 62.300 -0.006 0.000 0.851 296 V CB 1.487 33.319 31.823 0.015 0.000 1.000 296 V HN 0.254 nan 8.190 nan 0.000 0.456 297 P HA 0.177 nan 4.420 nan 0.000 0.269 297 P C -0.639 176.630 177.300 -0.052 0.000 1.209 297 P CA -0.095 62.938 63.100 -0.112 0.000 0.776 297 P CB 0.921 32.502 31.700 -0.197 0.000 0.876 298 C N 2.987 122.256 119.300 -0.051 0.000 2.614 298 C HA 0.595 5.055 4.460 0.000 0.000 0.320 298 C C 0.569 175.562 174.990 0.005 0.000 1.200 298 C CA -0.538 58.467 59.018 -0.022 0.000 1.700 298 C CB 0.974 28.686 27.740 -0.046 0.000 2.275 298 C HN 0.466 nan 8.230 nan 0.000 0.492 299 I N 2.361 122.946 120.570 0.026 0.000 2.537 299 I HA 0.446 4.616 4.170 0.000 0.000 0.276 299 I C 0.506 176.629 176.117 0.009 0.000 1.063 299 I CA 0.333 61.658 61.300 0.041 0.000 1.144 299 I CB 0.733 38.767 38.000 0.056 0.000 1.252 299 I HN 0.858 nan 8.210 nan 0.000 0.480 300 G N 2.938 111.734 108.800 -0.006 0.000 2.432 300 G HA2 0.558 4.518 3.960 0.000 0.000 0.331 300 G HA3 0.558 4.518 3.960 0.000 0.000 0.331 300 G C 0.006 174.906 174.900 0.001 0.000 1.170 300 G CA -0.428 44.669 45.100 -0.005 0.000 0.943 300 G HN 0.448 nan 8.290 nan 0.000 0.483 301 T N -1.235 113.323 114.554 0.006 0.000 2.932 301 T HA 0.132 4.482 4.350 0.000 0.000 0.312 301 T C 0.741 175.457 174.700 0.027 0.000 1.071 301 T CA -0.410 61.698 62.100 0.014 0.000 1.128 301 T CB 1.044 69.918 68.868 0.012 0.000 0.984 301 T HN 0.572 nan 8.240 nan 0.000 0.549 302 R N 1.787 122.309 120.500 0.036 0.000 3.268 302 R HA 0.396 4.736 4.340 0.000 0.000 0.217 302 R C -1.247 175.083 176.300 0.050 0.000 1.568 302 R CA -0.256 55.874 56.100 0.049 0.000 1.322 302 R CB -0.699 29.637 30.300 0.059 0.000 1.280 302 R HN 0.552 nan 8.270 nan 0.000 0.667 303 V N 2.274 122.220 119.914 0.053 0.000 2.588 303 V HA 0.338 4.458 4.120 0.000 0.000 0.304 303 V C 0.706 176.845 176.094 0.076 0.000 1.042 303 V CA -1.060 61.275 62.300 0.058 0.000 0.877 303 V CB 1.851 33.705 31.823 0.051 0.000 0.996 303 V HN 0.777 nan 8.190 nan 0.000 0.425 304 G N 2.752 111.600 108.800 0.079 0.000 2.641 304 G HA2 0.291 4.251 3.960 0.000 0.000 0.293 304 G HA3 0.291 4.251 3.960 0.000 0.000 0.293 304 G C 1.186 176.163 174.900 0.128 0.000 0.541 304 G CA 1.125 46.283 45.100 0.097 0.000 1.196 304 G HN 1.995 nan 8.290 nan 0.000 0.237 305 G N 1.682 110.580 108.800 0.163 0.000 2.284 305 G HA2 -0.256 3.704 3.960 0.000 0.000 0.201 305 G HA3 -0.256 3.704 3.960 0.000 0.000 0.201 305 G C 1.122 176.157 174.900 0.225 0.000 0.998 305 G CA 0.299 45.538 45.100 0.232 0.000 0.651 305 G HN 0.512 nan 8.290 nan 0.000 0.489 306 I N 1.457 122.107 120.570 0.134 0.000 2.429 306 I HA 0.057 4.227 4.170 0.000 0.000 0.247 306 I C -0.234 175.932 176.117 0.082 0.000 1.099 306 I CA 1.013 62.356 61.300 0.072 0.000 1.422 306 I CB -1.671 36.354 38.000 0.041 0.000 1.112 306 I HN 0.009 nan 8.210 nan 0.000 0.430 307 P HA -0.159 nan 4.420 nan 0.000 0.222 307 P C 1.025 178.397 177.300 0.120 0.000 1.142 307 P CA 1.329 64.487 63.100 0.096 0.000 0.788 307 P CB -0.073 31.684 31.700 0.095 0.000 0.767 308 E N -1.206 119.100 120.200 0.177 0.000 2.478 308 E HA -0.017 4.333 4.350 0.000 0.000 0.194 308 E C 1.490 178.215 176.600 0.208 0.000 1.045 308 E CA 0.599 57.131 56.400 0.220 0.000 0.868 308 E CB -0.003 29.922 29.700 0.375 0.000 0.885 308 E HN 0.281 nan 8.360 nan 0.000 0.505 309 V N -2.390 117.621 119.914 0.162 0.000 3.359 309 V HA 0.266 4.386 4.120 0.000 0.000 0.245 309 V C 0.857 176.998 176.094 0.078 0.000 1.247 309 V CA -0.108 62.285 62.300 0.155 0.000 1.145 309 V CB 0.275 32.042 31.823 -0.092 0.000 0.906 309 V HN -0.023 nan 8.190 nan 0.000 0.464 310 I N 3.515 124.102 120.570 0.030 0.000 2.312 310 I HA 0.367 4.537 4.170 0.000 0.000 0.290 310 I C -0.388 175.735 176.117 0.010 0.000 1.008 310 I CA -0.264 61.032 61.300 -0.007 0.000 1.226 310 I CB 1.547 39.524 38.000 -0.038 0.000 1.371 310 I HN 0.481 nan 8.210 nan 0.000 0.468 311 Q N 6.172 125.971 119.800 -0.002 0.000 2.400 311 Q HA 0.297 4.637 4.340 0.000 0.000 0.255 311 Q C -0.251 175.762 176.000 0.021 0.000 1.008 311 Q CA -0.728 55.088 55.803 0.023 0.000 0.841 311 Q CB 1.060 29.805 28.738 0.013 0.000 1.220 311 Q HN 0.627 nan 8.270 nan 0.000 0.474 312 H N 2.393 121.426 119.070 -0.060 0.000 3.192 312 H HA 0.014 4.570 4.556 0.000 0.000 0.295 312 H C 1.285 176.523 175.328 -0.150 0.000 0.943 312 H CA 1.601 57.596 56.048 -0.087 0.000 1.416 312 H CB 0.172 29.944 29.762 0.016 0.000 1.434 312 H HN 1.071 nan 8.280 nan 0.000 0.565 313 G N 3.883 112.662 108.800 -0.036 0.000 2.253 313 G HA2 -0.359 3.601 3.960 0.000 0.000 0.251 313 G HA3 -0.359 3.601 3.960 0.000 0.000 0.251 313 G C 0.995 175.824 174.900 -0.118 0.000 0.998 313 G CA 0.641 45.716 45.100 -0.041 0.000 0.621 313 G HN 0.656 nan 8.290 nan 0.000 0.524 314 D N -0.105 120.233 120.400 -0.104 0.000 2.490 314 D HA 0.128 4.768 4.640 0.000 0.000 0.244 314 D C 2.421 178.650 176.300 -0.118 0.000 0.979 314 D CA 2.280 56.232 54.000 -0.081 0.000 0.924 314 D CB 0.031 40.807 40.800 -0.040 0.000 1.075 314 D HN 0.624 nan 8.370 nan 0.000 0.488 315 T N -3.004 111.465 114.554 -0.142 0.000 3.111 315 T HA 0.609 4.959 4.350 0.000 0.000 0.284 315 T C 0.691 175.273 174.700 -0.196 0.000 0.983 315 T CA 0.157 62.178 62.100 -0.132 0.000 0.900 315 T CB 1.284 70.116 68.868 -0.061 0.000 1.132 315 T HN 0.215 nan 8.240 nan 0.000 0.531 316 G N 0.053 108.645 108.800 -0.347 0.000 2.333 316 G HA2 0.459 4.419 3.960 0.000 0.000 0.288 316 G HA3 0.459 4.419 3.960 0.000 0.000 0.288 316 G C -2.400 172.078 174.900 -0.704 0.000 1.286 316 G CA -1.000 43.851 45.100 -0.415 0.000 0.865 316 G HN 0.195 nan 8.290 nan 0.000 0.506 317 Y N -0.968 119.189 120.300 -0.238 0.000 2.553 317 Y HA 0.784 5.334 4.550 0.000 0.000 0.347 317 Y C 0.402 176.075 175.900 -0.379 0.000 1.019 317 Y CA -0.929 56.843 58.100 -0.548 0.000 1.032 317 Y CB 2.287 40.473 38.460 -0.456 0.000 1.284 317 Y HN 0.499 nan 8.280 nan 0.000 0.466 318 L N 1.820 122.882 121.223 -0.267 0.000 2.260 318 L HA 0.894 5.234 4.340 0.000 0.000 0.265 318 L C -0.825 176.050 176.870 0.008 0.000 1.015 318 L CA -1.008 53.803 54.840 -0.047 0.000 0.826 318 L CB 2.221 44.301 42.059 0.035 0.000 1.373 318 L HN 0.923 nan 8.230 nan 0.000 0.450 319 C N -2.020 117.301 119.300 0.035 0.000 3.068 319 C HA 0.354 4.814 4.460 0.000 0.000 0.344 319 C C -0.752 174.257 174.990 0.032 0.000 1.223 319 C CA -1.184 57.859 59.018 0.042 0.000 1.153 319 C CB 0.819 28.571 27.740 0.020 0.000 1.396 319 C HN 0.766 nan 8.230 nan 0.000 0.485 320 E N 1.074 121.292 120.200 0.031 0.000 2.418 320 E HA 0.389 4.739 4.350 0.000 0.000 0.261 320 E C 0.653 177.261 176.600 0.013 0.000 1.070 320 E CA -0.034 56.380 56.400 0.024 0.000 0.931 320 E CB 0.608 30.322 29.700 0.023 0.000 0.954 320 E HN 1.420 nan 8.360 nan 0.000 0.439 321 V N 0.139 120.060 119.914 0.012 0.000 2.715 321 V HA 0.513 4.633 4.120 0.000 0.000 0.299 321 V C 1.279 177.373 176.094 -0.000 0.000 1.054 321 V CA 0.296 62.598 62.300 0.004 0.000 1.077 321 V CB 0.515 32.342 31.823 0.007 0.000 0.972 321 V HN 0.844 nan 8.190 nan 0.000 0.484 322 G N 2.494 111.289 108.800 -0.009 0.000 2.199 322 G HA2 -0.258 3.702 3.960 0.000 0.000 0.254 322 G HA3 -0.258 3.702 3.960 0.000 0.000 0.254 322 G C 0.384 175.278 174.900 -0.010 0.000 0.982 322 G CA 0.312 45.406 45.100 -0.010 0.000 0.632 322 G HN 0.992 nan 8.290 nan 0.000 0.529 323 D N 2.092 122.488 120.400 -0.008 0.000 2.885 323 D HA 0.225 4.865 4.640 0.000 0.000 0.234 323 D C 2.252 178.544 176.300 -0.014 0.000 1.129 323 D CA 0.925 54.920 54.000 -0.008 0.000 0.991 323 D CB -0.332 40.467 40.800 -0.002 0.000 1.137 323 D HN 0.511 nan 8.370 nan 0.000 0.459 324 T N -2.192 112.352 114.554 -0.017 0.000 2.665 324 T HA -0.295 4.055 4.350 0.000 0.000 0.268 324 T C 1.956 176.645 174.700 -0.020 0.000 1.035 324 T CA 2.256 64.345 62.100 -0.019 0.000 1.151 324 T CB -0.730 68.128 68.868 -0.017 0.000 0.862 324 T HN 0.300 nan 8.240 nan 0.000 0.438 325 T N 0.201 114.743 114.554 -0.018 0.000 2.652 325 T HA 0.026 4.376 4.350 0.000 0.000 0.267 325 T C 2.363 177.047 174.700 -0.026 0.000 1.039 325 T CA 1.394 63.481 62.100 -0.022 0.000 1.153 325 T CB -1.554 67.303 68.868 -0.018 0.000 0.863 325 T HN 0.536 nan 8.240 nan 0.000 0.428 326 G N 1.067 109.854 108.800 -0.022 0.000 2.442 326 G HA2 -0.147 3.813 3.960 0.000 0.000 0.219 326 G HA3 -0.147 3.813 3.960 0.000 0.000 0.219 326 G C 1.675 176.550 174.900 -0.041 0.000 1.141 326 G CA 1.046 46.130 45.100 -0.026 0.000 0.763 326 G HN 0.503 nan 8.290 nan 0.000 0.554 327 V N 1.518 121.412 119.914 -0.034 0.000 2.307 327 V HA -0.117 4.003 4.120 0.000 0.000 0.245 327 V C 3.323 179.390 176.094 -0.045 0.000 1.045 327 V CA 1.980 64.256 62.300 -0.039 0.000 1.024 327 V CB -1.036 30.772 31.823 -0.026 0.000 0.651 327 V HN 0.476 nan 8.190 nan 0.000 0.449 328 A N 0.273 123.072 122.820 -0.036 0.000 1.883 328 A HA -0.286 4.034 4.320 0.000 0.000 0.217 328 A C 2.008 179.560 177.584 -0.053 0.000 1.186 328 A CA 2.187 54.202 52.037 -0.037 0.000 0.624 328 A CB -0.747 18.229 19.000 -0.040 0.000 0.822 328 A HN 0.571 nan 8.150 nan 0.000 0.444 329 D N -0.922 119.443 120.400 -0.058 0.000 2.104 329 D HA -0.192 4.448 4.640 0.000 0.000 0.194 329 D C 2.059 178.298 176.300 -0.101 0.000 0.994 329 D CA 1.898 55.858 54.000 -0.067 0.000 0.830 329 D CB -0.488 40.278 40.800 -0.057 0.000 0.959 329 D HN 0.563 nan 8.370 nan 0.000 0.452 330 Q N 0.826 120.542 119.800 -0.139 0.000 2.124 330 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 330 Q C 1.823 177.683 176.000 -0.234 0.000 0.977 330 Q CA 1.783 57.426 55.803 -0.268 0.000 0.850 330 Q CB -0.314 28.227 28.738 -0.327 0.000 0.901 330 Q HN 0.228 nan 8.270 nan 0.000 0.429 331 A N 0.329 123.080 122.820 -0.114 0.000 1.840 331 A HA -0.105 4.215 4.320 0.000 0.000 0.214 331 A C 2.002 179.575 177.584 -0.019 0.000 1.198 331 A CA 1.515 53.530 52.037 -0.037 0.000 0.608 331 A CB -1.003 17.998 19.000 0.001 0.000 0.839 331 A HN 0.570 nan 8.150 nan 0.000 0.443 332 I N -1.412 119.137 120.570 -0.034 0.000 2.185 332 I HA -0.331 3.839 4.170 0.000 0.000 0.246 332 I C 2.244 178.348 176.117 -0.021 0.000 1.088 332 I CA 2.477 63.759 61.300 -0.029 0.000 1.347 332 I CB -0.938 37.035 38.000 -0.044 0.000 1.041 332 I HN 0.419 nan 8.210 nan 0.000 0.415 333 Q N 1.267 121.043 119.800 -0.040 0.000 2.020 333 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 333 Q C 2.286 178.293 176.000 0.010 0.000 0.982 333 Q CA 2.340 58.126 55.803 -0.030 0.000 0.838 333 Q CB -0.526 28.172 28.738 -0.067 0.000 0.899 333 Q HN 0.620 nan 8.270 nan 0.000 0.423 334 L N 0.659 121.894 121.223 0.020 0.000 2.201 334 L HA -0.044 4.296 4.340 0.000 0.000 0.212 334 L C 2.214 179.187 176.870 0.171 0.000 1.105 334 L CA 1.172 56.086 54.840 0.123 0.000 0.775 334 L CB -0.422 41.746 42.059 0.182 0.000 0.913 334 L HN 0.225 nan 8.230 nan 0.000 0.440 335 L N -0.549 120.737 121.223 0.105 0.000 2.156 335 L HA -0.167 4.173 4.340 0.000 0.000 0.208 335 L C 2.516 179.390 176.870 0.005 0.000 1.095 335 L CA 1.462 56.342 54.840 0.067 0.000 0.770 335 L CB -0.528 41.554 42.059 0.039 0.000 0.914 335 L HN 0.389 nan 8.230 nan 0.000 0.439 336 K N -1.175 119.234 120.400 0.015 0.000 2.078 336 K HA -0.024 4.296 4.320 0.000 0.000 0.203 336 K C 0.712 177.322 176.600 0.017 0.000 1.043 336 K CA 0.101 56.389 56.287 0.002 0.000 0.960 336 K CB -0.468 32.032 32.500 0.000 0.000 0.761 336 K HN -0.010 nan 8.250 nan 0.000 0.448 337 D N 2.671 123.096 120.400 0.040 0.000 2.451 337 D HA -0.091 4.549 4.640 0.000 0.000 0.254 337 D C 0.278 176.623 176.300 0.075 0.000 1.204 337 D CA 0.496 54.530 54.000 0.056 0.000 0.896 337 D CB 0.982 41.825 40.800 0.070 0.000 1.136 337 D HN 0.366 nan 8.370 nan 0.000 0.499 338 E N 3.047 123.279 120.200 0.053 0.000 2.452 338 E HA -0.064 4.286 4.350 0.000 0.000 0.197 338 E C 0.895 177.549 176.600 0.089 0.000 1.022 338 E CA -0.055 56.377 56.400 0.053 0.000 0.890 338 E CB 0.434 30.140 29.700 0.009 0.000 0.918 338 E HN 0.404 nan 8.360 nan 0.000 0.496 339 E N 0.840 121.086 120.200 0.077 0.000 2.016 339 E HA -0.155 4.195 4.350 0.000 0.000 0.190 339 E C 2.137 178.792 176.600 0.091 0.000 0.985 339 E CA 0.585 57.028 56.400 0.071 0.000 0.802 339 E CB -0.374 29.358 29.700 0.053 0.000 0.762 339 E HN 0.248 nan 8.360 nan 0.000 0.448 340 L N 1.536 122.820 121.223 0.102 0.000 2.043 340 L HA -0.205 4.135 4.340 0.000 0.000 0.212 340 L C 2.433 179.377 176.870 0.124 0.000 1.075 340 L CA 1.928 56.834 54.840 0.110 0.000 0.752 340 L CB -0.727 41.412 42.059 0.134 0.000 0.891 340 L HN 0.259 nan 8.230 nan 0.000 0.432 341 H N -0.525 118.584 119.070 0.064 0.000 2.423 341 H HA -0.052 4.504 4.556 0.000 0.000 0.297 341 H C 2.089 177.443 175.328 0.043 0.000 1.075 341 H CA 1.210 57.294 56.048 0.060 0.000 1.342 341 H CB 0.316 30.111 29.762 0.056 0.000 1.395 341 H HN 0.268 nan 8.280 nan 0.000 0.530 342 R N 0.473 121.096 120.500 0.204 0.000 2.119 342 R HA -0.041 4.299 4.340 0.000 0.000 0.222 342 R C 1.836 178.172 176.300 0.061 0.000 1.088 342 R CA 0.488 56.671 56.100 0.138 0.000 0.984 342 R CB -0.209 30.154 30.300 0.104 0.000 0.884 342 R HN 0.430 nan 8.270 nan 0.000 0.447 343 N N 0.826 119.553 118.700 0.046 0.000 2.109 343 N HA -0.106 4.634 4.740 0.000 0.000 0.188 343 N C 1.779 177.281 175.510 -0.012 0.000 1.034 343 N CA 1.078 54.140 53.050 0.019 0.000 0.846 343 N CB -0.316 38.186 38.487 0.025 0.000 1.010 343 N HN 0.112 nan 8.380 nan 0.000 0.425 344 M N 0.712 120.289 119.600 -0.038 0.000 2.065 344 M HA -0.098 4.382 4.480 0.000 0.000 0.259 344 M C 1.927 178.168 176.300 -0.097 0.000 1.069 344 M CA 2.110 57.356 55.300 -0.090 0.000 1.110 344 M CB -0.621 31.901 32.600 -0.131 0.000 1.328 344 M HN 0.201 nan 8.290 nan 0.000 0.405 345 G N -0.875 107.848 108.800 -0.127 0.000 2.485 345 G HA2 -0.277 3.683 3.960 0.000 0.000 0.221 345 G HA3 -0.277 3.683 3.960 0.000 0.000 0.221 345 G C 1.291 176.177 174.900 -0.023 0.000 1.115 345 G CA 1.421 46.465 45.100 -0.093 0.000 0.751 345 G HN 0.492 nan 8.290 nan 0.000 0.567 346 E N 0.265 120.459 120.200 -0.009 0.000 2.060 346 E HA 0.063 4.413 4.350 0.000 0.000 0.189 346 E C 2.684 179.287 176.600 0.006 0.000 0.974 346 E CA 0.248 56.654 56.400 0.010 0.000 0.808 346 E CB -0.189 29.520 29.700 0.015 0.000 0.768 346 E HN 0.062 nan 8.360 nan 0.000 0.453 347 R N 0.600 121.095 120.500 -0.008 0.000 2.094 347 R HA -0.133 4.207 4.340 0.000 0.000 0.239 347 R C 2.171 178.469 176.300 -0.002 0.000 1.137 347 R CA 1.466 57.560 56.100 -0.010 0.000 0.943 347 R CB -1.242 29.041 30.300 -0.029 0.000 0.850 347 R HN 0.290 nan 8.270 nan 0.000 0.433 348 A N 2.096 124.906 122.820 -0.016 0.000 1.849 348 A HA -0.238 4.082 4.320 0.000 0.000 0.217 348 A C 2.060 179.666 177.584 0.038 0.000 1.202 348 A CA 2.198 54.233 52.037 -0.004 0.000 0.629 348 A CB -0.671 18.309 19.000 -0.034 0.000 0.834 348 A HN 0.524 nan 8.150 nan 0.000 0.447 349 R N -0.206 120.321 120.500 0.044 0.000 2.377 349 R HA -0.046 4.294 4.340 0.000 0.000 0.207 349 R C 1.331 177.699 176.300 0.113 0.000 1.075 349 R CA 1.479 57.630 56.100 0.084 0.000 1.035 349 R CB -0.327 30.023 30.300 0.083 0.000 0.857 349 R HN 0.682 nan 8.270 nan 0.000 0.475 350 E N 1.218 121.469 120.200 0.086 0.000 2.079 350 E HA -0.073 4.277 4.350 0.000 0.000 0.191 350 E C 1.964 178.638 176.600 0.124 0.000 0.961 350 E CA 1.037 57.497 56.400 0.100 0.000 0.823 350 E CB 0.135 29.864 29.700 0.049 0.000 0.789 350 E HN 0.453 nan 8.360 nan 0.000 0.459 351 S N 0.740 116.482 115.700 0.069 0.000 2.465 351 S HA -0.102 4.368 4.470 0.000 0.000 0.241 351 S C 2.085 176.712 174.600 0.046 0.000 1.000 351 S CA 0.743 58.960 58.200 0.029 0.000 0.964 351 S CB -0.314 62.889 63.200 0.005 0.000 0.763 351 S HN -0.015 nan 8.310 nan 0.000 0.512 352 V N 0.646 120.650 119.914 0.150 0.000 2.283 352 V HA -0.073 4.047 4.120 0.000 0.000 0.243 352 V C 2.169 178.385 176.094 0.203 0.000 1.039 352 V CA 1.824 64.284 62.300 0.267 0.000 1.016 352 V CB -0.965 30.989 31.823 0.217 0.000 0.650 352 V HN 0.656 nan 8.190 nan 0.000 0.449 353 Y N 0.875 121.231 120.300 0.094 0.000 2.256 353 Y HA -0.216 4.334 4.550 0.000 0.000 0.288 353 Y C 2.550 178.470 175.900 0.033 0.000 1.155 353 Y CA 1.833 59.981 58.100 0.079 0.000 1.203 353 Y CB -0.011 38.486 38.460 0.062 0.000 0.980 353 Y HN 0.245 nan 8.280 nan 0.000 0.530 354 E N 0.345 120.576 120.200 0.052 0.000 2.017 354 E HA -0.248 4.102 4.350 0.000 0.000 0.193 354 E C 1.922 178.405 176.600 -0.195 0.000 0.997 354 E CA 2.179 58.553 56.400 -0.044 0.000 0.804 354 E CB -0.315 29.367 29.700 -0.030 0.000 0.757 354 E HN 0.853 nan 8.360 nan 0.000 0.448 355 Q N -1.885 117.705 119.800 -0.351 0.000 2.246 355 Q HA 0.113 4.453 4.340 0.000 0.000 0.222 355 Q C 0.607 176.238 176.000 -0.615 0.000 0.851 355 Q CA 0.045 55.527 55.803 -0.536 0.000 0.945 355 Q CB 0.349 28.629 28.738 -0.764 0.000 1.122 355 Q HN 0.093 nan 8.270 nan 0.000 0.508 356 F N 0.936 120.870 119.950 -0.026 0.000 2.724 356 F HA 0.367 4.894 4.527 0.000 0.000 0.310 356 F C 0.335 176.157 175.800 0.037 0.000 1.107 356 F CA -1.186 56.843 58.000 0.048 0.000 1.218 356 F CB 0.580 39.615 39.000 0.058 0.000 1.042 356 F HN -0.067 nan 8.300 nan 0.000 0.540 357 R N 1.601 122.106 120.500 0.009 0.000 2.485 357 R HA -0.060 4.280 4.340 0.000 0.000 0.304 357 R C 1.628 177.929 176.300 0.002 0.000 0.934 357 R CA 0.791 56.816 56.100 -0.125 0.000 1.102 357 R CB 0.409 30.455 30.300 -0.424 0.000 0.906 357 R HN 0.309 nan 8.270 nan 0.000 0.407 358 S N 3.535 119.283 115.700 0.080 0.000 2.359 358 S HA -0.288 4.182 4.470 0.000 0.000 0.223 358 S C 1.405 175.895 174.600 -0.183 0.000 1.039 358 S CA 1.450 59.662 58.200 0.020 0.000 1.042 358 S CB -0.412 62.926 63.200 0.230 0.000 0.915 358 S HN 0.813 nan 8.310 nan 0.000 0.439 359 E N 1.583 121.736 120.200 -0.080 0.000 2.209 359 E HA -0.147 4.203 4.350 0.000 0.000 0.196 359 E C 2.027 178.570 176.600 -0.094 0.000 0.993 359 E CA 1.461 57.817 56.400 -0.074 0.000 0.819 359 E CB -0.373 29.319 29.700 -0.014 0.000 0.745 359 E HN 0.737 nan 8.360 nan 0.000 0.477 360 K N 0.322 120.657 120.400 -0.108 0.000 1.991 360 K HA -0.105 4.215 4.320 0.000 0.000 0.207 360 K C 1.944 178.486 176.600 -0.096 0.000 1.045 360 K CA 1.283 57.513 56.287 -0.094 0.000 0.937 360 K CB -0.135 32.302 32.500 -0.105 0.000 0.720 360 K HN 0.109 nan 8.250 nan 0.000 0.438 361 I N 1.293 121.803 120.570 -0.099 0.000 2.163 361 I HA -0.262 3.908 4.170 0.000 0.000 0.243 361 I C 2.242 178.276 176.117 -0.138 0.000 1.085 361 I CA 0.968 62.213 61.300 -0.092 0.000 1.347 361 I CB -0.453 37.570 38.000 0.038 0.000 1.044 361 I HN -0.004 nan 8.210 nan 0.000 0.408 362 V N -0.176 119.582 119.914 -0.260 0.000 2.380 362 V HA -0.315 3.805 4.120 0.000 0.000 0.251 362 V C 2.468 178.538 176.094 -0.040 0.000 1.063 362 V CA 2.168 64.382 62.300 -0.144 0.000 1.055 362 V CB -0.840 30.857 31.823 -0.209 0.000 0.657 362 V HN 0.416 nan 8.190 nan 0.000 0.455 363 S N -0.862 114.803 115.700 -0.060 0.000 2.423 363 S HA -0.207 4.263 4.470 0.000 0.000 0.231 363 S C 1.940 176.498 174.600 -0.070 0.000 1.014 363 S CA 1.194 59.377 58.200 -0.030 0.000 0.965 363 S CB -0.232 62.954 63.200 -0.023 0.000 0.785 363 S HN 0.695 nan 8.310 nan 0.000 0.495 364 Q N -0.250 119.471 119.800 -0.131 0.000 2.046 364 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 364 Q C 1.677 177.505 176.000 -0.286 0.000 0.975 364 Q CA 1.390 57.067 55.803 -0.210 0.000 0.836 364 Q CB -0.354 28.210 28.738 -0.289 0.000 0.896 364 Q HN 0.622 nan 8.270 nan 0.000 0.428 365 Y N 1.168 121.307 120.300 -0.267 0.000 2.224 365 Y HA -0.226 4.324 4.550 0.000 0.000 0.289 365 Y C 2.461 177.835 175.900 -0.877 0.000 1.146 365 Y CA 1.177 58.968 58.100 -0.516 0.000 1.182 365 Y CB 0.100 38.354 38.460 -0.343 0.000 0.983 365 Y HN 0.209 nan 8.280 nan 0.000 0.524 366 E N -0.197 119.804 120.200 -0.332 0.000 2.077 366 E HA -0.228 4.122 4.350 0.000 0.000 0.193 366 E C 2.173 178.720 176.600 -0.088 0.000 0.989 366 E CA 2.027 58.294 56.400 -0.220 0.000 0.800 366 E CB -0.049 29.699 29.700 0.081 0.000 0.746 366 E HN 0.527 nan 8.360 nan 0.000 0.452 367 T N -1.054 113.481 114.554 -0.032 0.000 2.904 367 T HA -0.060 4.290 4.350 0.000 0.000 0.267 367 T C 1.957 176.647 174.700 -0.017 0.000 1.059 367 T CA 0.800 62.940 62.100 0.065 0.000 1.137 367 T CB -0.341 68.536 68.868 0.016 0.000 0.879 367 T HN 0.137 nan 8.240 nan 0.000 0.467 368 I N -0.120 120.345 120.570 -0.175 0.000 2.286 368 I HA -0.134 4.036 4.170 0.000 0.000 0.248 368 I C 2.355 178.433 176.117 -0.065 0.000 1.115 368 I CA 1.401 62.606 61.300 -0.158 0.000 1.392 368 I CB -0.460 37.399 38.000 -0.235 0.000 1.065 368 I HN 0.181 nan 8.210 nan 0.000 0.418 369 Y N 0.137 120.365 120.300 -0.121 0.000 2.133 369 Y HA -0.232 4.318 4.550 0.000 0.000 0.287 369 Y C 2.554 178.348 175.900 -0.177 0.000 1.134 369 Y CA 0.875 58.843 58.100 -0.221 0.000 1.133 369 Y CB -1.543 36.681 38.460 -0.393 0.000 0.987 369 Y HN 0.079 nan 8.280 nan 0.000 0.502 370 Y N 0.389 120.758 120.300 0.115 0.000 2.165 370 Y HA -0.229 4.321 4.550 0.000 0.000 0.286 370 Y C 2.246 178.162 175.900 0.027 0.000 1.155 370 Y CA 1.454 59.591 58.100 0.061 0.000 1.164 370 Y CB -0.817 37.672 38.460 0.048 0.000 0.978 370 Y HN 0.112 nan 8.280 nan 0.000 0.513 371 D N -0.877 119.618 120.400 0.159 0.000 2.117 371 D HA -0.152 4.488 4.640 0.000 0.000 0.197 371 D C 2.160 178.488 176.300 0.047 0.000 0.987 371 D CA 0.950 54.996 54.000 0.076 0.000 0.829 371 D CB -0.462 40.356 40.800 0.030 0.000 0.961 371 D HN 0.158 nan 8.370 nan 0.000 0.460 372 V N 0.236 120.172 119.914 0.038 0.000 3.383 372 V HA -0.078 4.042 4.120 0.000 0.000 0.272 372 V C 1.187 177.290 176.094 0.014 0.000 1.181 372 V CA 0.840 63.148 62.300 0.014 0.000 1.171 372 V CB -0.386 31.439 31.823 0.004 0.000 0.800 372 V HN 0.107 nan 8.190 nan 0.000 0.515 373 L N -0.492 120.755 121.223 0.039 0.000 3.468 373 L HA 0.694 5.034 4.340 0.000 0.000 0.181 373 L C 0.763 177.659 176.870 0.043 0.000 1.344 373 L CA 0.293 55.155 54.840 0.037 0.000 1.236 373 L CB -0.293 41.798 42.059 0.053 0.000 1.635 373 L HN 0.121 nan 8.230 nan 0.000 0.759 374 R N 0.000 120.539 120.500 0.065 0.000 2.786 374 R HA 0.000 4.340 4.340 0.000 0.000 0.208 374 R CA 0.000 nan 56.100 nan 0.000 0.921 374 R CB 0.000 nan 30.300 nan 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535