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_H 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 0.000 176.770 176.600 0.283 0.000 0.988 2 K CA 0.000 56.390 56.287 0.172 0.000 0.838 2 K CB 0.000 32.597 32.500 0.162 0.000 1.064 3 L N 1.341 122.800 121.223 0.393 0.000 2.482 3 L HA 0.459 4.799 4.340 -0.000 0.000 0.263 3 L C -1.483 175.423 176.870 0.061 0.000 0.957 3 L CA -0.467 54.469 54.840 0.160 0.000 0.836 3 L CB 2.300 44.313 42.059 -0.077 0.000 1.324 3 L HN 0.218 nan 8.230 nan 0.000 0.406 4 K N 5.263 125.641 120.400 -0.037 0.000 2.299 4 K HA 0.591 4.911 4.320 -0.000 0.000 0.268 4 K C -0.893 175.616 176.600 -0.152 0.000 1.075 4 K CA -0.379 55.883 56.287 -0.042 0.000 0.936 4 K CB 0.675 33.140 32.500 -0.059 0.000 1.228 4 K HN 0.312 nan 8.250 nan 0.000 0.454 5 I N 1.406 121.870 120.570 -0.176 0.000 2.525 5 I HA 0.415 4.585 4.170 -0.000 0.000 0.301 5 I C 0.734 176.718 176.117 -0.222 0.000 0.992 5 I CA -0.887 60.231 61.300 -0.303 0.000 1.162 5 I CB 1.466 39.201 38.000 -0.441 0.000 1.332 5 I HN 0.541 nan 8.210 nan 0.000 0.458 6 G N 5.498 114.154 108.800 -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 -0.937 173.833 174.900 -0.217 0.000 1.267 6 G CA -0.232 44.747 45.100 -0.201 0.000 0.937 6 G HN 0.344 nan 8.290 nan 0.000 0.481 7 I N 1.111 121.492 120.570 -0.314 0.000 2.460 7 I HA 0.528 4.698 4.170 -0.000 0.000 0.298 7 I C 0.306 176.372 176.117 -0.086 0.000 0.989 7 I CA -0.289 60.869 61.300 -0.237 0.000 1.173 7 I CB 2.515 40.263 38.000 -0.420 0.000 1.338 7 I HN 0.268 nan 8.210 nan 0.000 0.456 8 T N 4.708 119.217 114.554 -0.075 0.000 2.879 8 T HA 0.686 5.036 4.350 -0.000 0.000 0.290 8 T C -0.847 173.672 174.700 -0.302 0.000 0.993 8 T CA -0.456 61.531 62.100 -0.187 0.000 0.975 8 T CB 0.932 69.610 68.868 -0.317 0.000 0.981 8 T HN 0.886 nan 8.240 nan 0.000 0.439 9 C N 1.520 120.627 119.300 -0.321 0.000 3.260 9 C HA 0.649 5.109 4.460 -0.000 0.000 0.366 9 C C -2.020 172.847 174.990 -0.205 0.000 1.537 9 C CA -1.157 57.680 59.018 -0.301 0.000 1.160 9 C CB 0.281 27.897 27.740 -0.207 0.000 1.760 9 C HN 0.717 nan 8.230 nan 0.000 0.432 10 Y N 1.566 121.882 120.300 0.027 0.000 2.944 10 Y HA 0.522 5.072 4.550 0.000 0.000 0.335 10 Y C -1.798 174.065 175.900 -0.063 0.000 1.075 10 Y CA -2.003 56.094 58.100 -0.005 0.000 1.240 10 Y CB -0.872 37.568 38.460 -0.033 0.000 1.167 10 Y HN 0.569 nan 8.280 nan 0.000 0.555 15 G N 0.619 109.401 108.800 -0.030 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 2.245 177.089 174.900 -0.093 0.000 1.177 15 G CA 2.620 47.708 45.100 -0.021 0.000 0.794 15 G HN 1.541 nan 8.290 nan 0.000 0.532 16 S N 0.982 116.542 115.700 -0.232 0.000 2.374 16 S HA -0.064 4.406 4.470 -0.000 0.000 0.227 16 S C 2.464 176.922 174.600 -0.238 0.000 1.037 16 S CA 1.835 59.777 58.200 -0.430 0.000 1.024 16 S CB -1.067 61.910 63.200 -0.372 0.000 0.861 16 S HN 0.464 nan 8.310 nan 0.000 0.456 17 G N 1.591 110.313 108.800 -0.131 0.000 2.421 17 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.216 17 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.216 17 G C 1.480 176.305 174.900 -0.125 0.000 1.171 17 G CA 1.104 46.138 45.100 -0.110 0.000 0.775 17 G HN 0.506 nan 8.290 nan 0.000 0.543 18 V N 0.811 120.665 119.914 -0.100 0.000 2.231 18 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 18 V C 3.040 179.051 176.094 -0.138 0.000 1.054 18 V CA 1.890 64.134 62.300 -0.095 0.000 1.015 18 V CB -0.957 30.819 31.823 -0.079 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 -0.160 0.000 2.261 19 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 19 V C 2.725 178.718 176.094 -0.168 0.000 1.047 19 V CA 2.291 64.469 62.300 -0.204 0.000 1.015 19 V CB -1.728 30.087 31.823 -0.013 0.000 0.642 19 V HN 0.604 nan 8.190 nan 0.000 0.446 20 G N -0.099 108.487 108.800 -0.356 0.000 2.476 20 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 20 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 20 G C 1.687 176.543 174.900 -0.073 0.000 1.164 20 G CA 1.825 46.588 45.100 -0.562 0.000 0.768 20 G HN 0.485 nan 8.290 nan 0.000 0.560 21 T N 0.530 115.067 114.554 -0.028 0.000 2.708 21 T HA -0.080 4.270 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 63.758 62.100 0.058 0.000 1.146 21 T CB -0.162 68.644 68.868 -0.104 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 -0.068 4.282 4.350 -0.000 0.000 0.191 22 E C 1.980 178.779 176.600 0.332 0.000 0.985 22 E CA 0.544 57.045 56.400 0.168 0.000 0.801 22 E CB -0.581 29.160 29.700 0.067 0.000 0.750 22 E HN 0.323 nan 8.360 nan 0.000 0.452 23 L N -0.126 121.328 121.223 0.386 0.000 2.079 23 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 23 L C 2.083 179.071 176.870 0.197 0.000 1.081 23 L CA 2.498 57.580 54.840 0.403 0.000 0.752 23 L CB -1.056 41.168 42.059 0.275 0.000 0.896 23 L HN 0.211 nan 8.230 nan 0.000 0.433 24 G N -0.901 107.999 108.800 0.166 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 1.695 176.629 174.900 0.055 0.000 1.154 24 G CA 0.713 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 -0.130 120.331 120.400 0.102 0.000 2.026 25 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 25 K C 2.641 179.219 176.600 -0.036 0.000 1.048 25 K CA 1.320 57.561 56.287 -0.076 0.000 0.929 25 K CB -0.138 32.349 32.500 -0.022 0.000 0.713 25 K HN 0.182 nan 8.250 nan 0.000 0.439 26 Q N 0.743 120.598 119.800 0.092 0.000 2.002 26 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 26 Q C 2.359 178.421 176.000 0.103 0.000 0.988 26 Q CA 1.545 57.412 55.803 0.107 0.000 0.843 26 Q CB -0.462 28.343 28.738 0.113 0.000 0.908 26 Q HN 0.394 nan 8.270 nan 0.000 0.420 27 L N 0.390 121.687 121.223 0.123 0.000 2.129 27 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 27 L C 2.479 179.467 176.870 0.196 0.000 1.087 27 L CA 1.123 56.086 54.840 0.205 0.000 0.757 27 L CB -0.601 41.551 42.059 0.155 0.000 0.896 27 L HN 0.185 nan 8.230 nan 0.000 0.434 28 A N -0.048 122.815 122.820 0.072 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 1.529 53.590 52.037 0.039 0.000 0.613 28 A CB -0.459 18.476 19.000 -0.109 0.000 0.829 28 A HN 0.460 nan 8.150 nan 0.000 0.442 29 E N -0.284 119.968 120.200 0.088 0.000 2.267 29 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 29 E C 1.550 178.204 176.600 0.089 0.000 0.998 29 E CA 0.804 57.286 56.400 0.138 0.000 0.830 29 E CB -0.172 29.622 29.700 0.156 0.000 0.751 29 E HN 0.507 nan 8.360 nan 0.000 0.491 30 R N -0.377 120.165 120.500 0.070 0.000 2.335 30 R HA 0.088 4.428 4.340 -0.000 0.000 0.223 30 R C 1.011 177.238 176.300 -0.121 0.000 0.940 30 R CA 0.485 56.590 56.100 0.007 0.000 1.086 30 R CB 0.554 30.886 30.300 0.053 0.000 1.073 30 R HN 0.255 nan 8.270 nan 0.000 0.504 31 G N 0.575 109.341 108.800 -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 0.099 174.951 174.900 -0.080 0.000 0.984 31 G CA -0.258 44.797 45.100 -0.075 0.000 0.633 31 G HN 0.380 nan 8.290 nan 0.000 0.525 32 H N 0.746 119.858 119.070 0.069 0.000 2.679 32 H HA 0.437 4.993 4.556 -0.000 0.000 0.369 32 H C 0.386 175.739 175.328 0.043 0.000 1.178 32 H CA 0.461 56.539 56.048 0.050 0.000 1.419 32 H CB 1.052 30.832 29.762 0.030 0.000 1.458 32 H HN 0.481 nan 8.280 nan 0.000 0.605 33 E N 2.186 122.500 120.200 0.190 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 0.099 0.000 0.949 33 E CA -0.738 55.754 56.400 0.154 0.000 0.775 33 E CB 0.129 29.947 29.700 0.195 0.000 1.097 33 E HN 0.261 nan 8.360 nan 0.000 0.404 34 I N 4.101 124.658 120.570 -0.022 0.000 2.396 34 I HA 0.152 4.322 4.170 -0.000 0.000 0.292 34 I C -0.091 175.852 176.117 -0.289 0.000 0.999 34 I CA -0.321 60.866 61.300 -0.189 0.000 1.310 34 I CB 1.132 38.930 38.000 -0.336 0.000 1.404 34 I HN 0.526 nan 8.210 nan 0.000 0.496 35 H N 6.683 125.603 119.070 -0.250 0.000 2.866 35 H HA 0.279 4.835 4.556 -0.000 0.000 0.287 35 H C -1.019 174.187 175.328 -0.203 0.000 1.106 35 H CA -0.527 55.470 56.048 -0.086 0.000 1.396 35 H CB 0.692 30.422 29.762 -0.053 0.000 1.469 35 H HN 0.292 nan 8.280 nan 0.000 0.500 36 F N 3.227 123.121 119.950 -0.093 0.000 2.506 36 F HA 0.148 4.675 4.527 -0.000 0.000 0.371 36 F C 0.929 176.773 175.800 0.074 0.000 1.078 36 F CA -0.027 57.908 58.000 -0.109 0.000 1.195 36 F CB 0.429 39.231 39.000 -0.329 0.000 1.099 36 F HN 0.363 nan 8.300 nan 0.000 0.548 37 I N 3.805 124.493 120.570 0.197 0.000 2.428 37 I HA 0.293 4.463 4.170 -0.000 0.000 0.279 37 I C -0.156 176.040 176.117 0.131 0.000 1.040 37 I CA -0.136 61.256 61.300 0.154 0.000 1.171 37 I CB 1.112 39.120 38.000 0.014 0.000 1.312 37 I HN 0.521 nan 8.210 nan 0.000 0.470 38 T N 2.964 117.638 114.554 0.199 0.000 3.159 38 T HA 0.223 4.573 4.350 -0.000 0.000 0.343 38 T C -0.608 174.226 174.700 0.224 0.000 1.364 38 T CA -0.639 61.573 62.100 0.187 0.000 1.102 38 T CB 1.287 70.242 68.868 0.145 0.000 1.263 38 T HN 0.424 nan 8.240 nan 0.000 0.477 39 S N 2.917 118.781 115.700 0.273 0.000 2.411 39 S HA 0.723 5.193 4.470 -0.000 0.000 0.304 39 S C 0.815 175.505 174.600 0.150 0.000 1.098 39 S CA 0.228 58.565 58.200 0.228 0.000 1.068 39 S CB 0.292 63.674 63.200 0.302 0.000 1.032 39 S HN 1.467 nan 8.310 nan 0.000 0.511 40 G N 1.877 110.739 108.800 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 -1.756 173.148 174.900 0.008 0.000 1.173 40 G CA -0.896 44.232 45.100 0.047 0.000 0.988 40 G HN 0.701 nan 8.290 nan 0.000 0.485 41 L N 2.076 123.282 121.223 -0.028 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 -0.115 0.000 1.229 41 L CA -1.074 53.712 54.840 -0.091 0.000 0.903 41 L CB 1.565 43.567 42.059 -0.096 0.000 1.114 41 L HN 0.307 nan 8.230 nan 0.000 0.494 48 V N 2.347 122.182 119.914 -0.131 0.000 2.612 48 V HA 0.546 4.666 4.120 -0.000 0.000 0.301 48 V C -2.030 173.977 176.094 -0.144 0.000 1.059 48 V CA -0.402 61.880 62.300 -0.030 0.000 0.886 48 V CB 1.219 33.023 31.823 -0.031 0.000 1.007 48 V HN 0.659 nan 8.190 nan 0.000 0.426 49 Y N 6.697 127.008 120.300 0.019 0.000 2.330 49 Y HA 0.512 5.062 4.550 -0.000 0.000 0.336 49 Y C -1.569 174.285 175.900 -0.076 0.000 1.036 49 Y CA -2.040 56.058 58.100 -0.004 0.000 1.125 49 Y CB 1.913 40.389 38.460 0.026 0.000 1.194 49 Y HN 0.487 nan 8.280 nan 0.000 0.469 50 P HA -0.101 nan 4.420 nan 0.000 0.226 50 P C 0.216 177.455 177.300 -0.102 0.000 1.153 50 P CA 1.116 64.191 63.100 -0.042 0.000 0.777 50 P CB 0.285 31.992 31.700 0.011 0.000 0.794 51 N N -0.569 118.125 118.700 -0.010 0.000 2.275 51 N HA 0.099 4.839 4.740 -0.000 0.000 0.236 51 N C -0.313 175.172 175.510 -0.041 0.000 1.154 51 N CA -0.061 53.016 53.050 0.044 0.000 0.866 51 N CB 0.122 38.681 38.487 0.120 0.000 1.093 51 N HN 0.153 nan 8.380 nan 0.000 0.515 52 I N 1.261 121.695 120.570 -0.226 0.000 2.439 52 I HA 0.318 4.488 4.170 -0.000 0.000 0.283 52 I C -1.121 174.737 176.117 -0.433 0.000 1.023 52 I CA -0.817 60.346 61.300 -0.228 0.000 1.100 52 I CB 0.979 38.934 38.000 -0.075 0.000 1.238 52 I HN -0.122 nan 8.210 nan 0.000 0.445 53 Y N 5.204 125.282 120.300 -0.370 0.000 2.420 53 Y HA 0.541 5.091 4.550 -0.000 0.000 0.334 53 Y C -0.518 175.167 175.900 -0.358 0.000 1.094 53 Y CA -0.666 57.268 58.100 -0.278 0.000 1.126 53 Y CB 1.771 40.019 38.460 -0.354 0.000 1.217 53 Y HN 0.301 nan 8.280 nan 0.000 0.462 54 F N 2.356 122.315 119.950 0.016 0.000 2.427 54 F HA 0.377 4.904 4.527 -0.000 0.000 0.348 54 F C -0.075 175.679 175.800 -0.077 0.000 1.125 54 F CA -0.754 57.288 58.000 0.071 0.000 0.989 54 F CB 0.850 39.874 39.000 0.039 0.000 1.165 54 F HN 0.418 nan 8.300 nan 0.000 0.442 55 H N 2.763 122.005 119.070 0.287 0.000 2.457 55 H HA 0.306 4.862 4.556 -0.000 0.000 0.335 55 H C -0.618 174.827 175.328 0.195 0.000 1.115 55 H CA -0.595 55.581 56.048 0.212 0.000 1.219 55 H CB 2.389 32.247 29.762 0.159 0.000 1.471 55 H HN 0.570 nan 8.280 nan 0.000 0.491 56 E N 3.053 123.403 120.200 0.250 0.000 2.238 56 E HA 0.242 4.591 4.350 -0.000 0.000 0.267 56 E C -1.170 175.535 176.600 0.174 0.000 0.887 56 E CA -0.901 55.622 56.400 0.204 0.000 0.769 56 E CB 2.236 32.033 29.700 0.162 0.000 1.187 56 E HN 0.251 nan 8.360 nan 0.000 0.416 57 V N 3.613 123.635 119.914 0.181 0.000 2.427 57 V HA 0.173 4.293 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 -0.189 62.205 62.300 0.158 0.000 0.970 57 V CB 0.404 32.330 31.823 0.171 0.000 1.001 57 V HN 0.729 nan 8.190 nan 0.000 0.476 58 T N 3.100 117.728 114.554 0.124 0.000 2.795 58 T HA 0.760 5.110 4.350 -0.000 0.000 0.282 58 T C -0.385 174.382 174.700 0.112 0.000 0.980 58 T CA -0.657 61.510 62.100 0.112 0.000 1.012 58 T CB 1.544 70.467 68.868 0.091 0.000 0.936 58 T HN 0.331 nan 8.240 nan 0.000 0.457 59 V N 2.638 122.623 119.914 0.117 0.000 3.103 59 V HA 0.723 4.843 4.120 -0.000 0.000 0.318 59 V C -0.350 175.810 176.094 0.109 0.000 1.114 59 V CA -1.167 61.203 62.300 0.116 0.000 1.020 59 V CB 1.815 33.716 31.823 0.130 0.000 1.085 59 V HN 1.016 nan 8.190 nan 0.000 0.446 66 Q N 1.437 121.380 119.800 0.238 0.000 1.994 66 Q HA -0.017 4.323 4.340 -0.000 0.000 0.198 66 Q C -0.574 175.327 176.000 -0.165 0.000 0.976 66 Q CA 1.599 57.392 55.803 -0.016 0.000 0.828 66 Q CB 0.221 28.943 28.738 -0.027 0.000 0.894 66 Q HN 0.541 nan 8.270 nan 0.000 0.432 67 Y N -0.202 120.079 120.300 -0.032 0.000 2.477 67 Y HA 0.292 4.842 4.550 -0.000 0.000 0.347 67 Y C -2.028 173.756 175.900 -0.193 0.000 0.981 67 Y CA -3.044 55.013 58.100 -0.071 0.000 1.033 67 Y CB 1.462 39.889 38.460 -0.056 0.000 1.245 67 Y HN 0.032 nan 8.280 nan 0.000 0.455 68 P HA 0.125 nan 4.420 nan 0.000 0.265 68 P C -2.577 174.669 177.300 -0.090 0.000 1.222 68 P CA -1.141 61.928 63.100 -0.051 0.000 0.767 68 P CB 0.449 32.182 31.700 0.055 0.000 0.801 69 P HA -0.017 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 -0.011 62.990 63.100 -0.165 0.000 1.080 69 P CB -0.774 30.761 31.700 -0.275 0.000 1.961 70 Y N 1.970 122.243 120.300 -0.045 0.000 2.181 70 Y HA -0.254 4.296 4.550 -0.000 0.000 0.288 70 Y C 1.580 177.498 175.900 0.030 0.000 1.146 70 Y CA 1.778 59.883 58.100 0.008 0.000 1.164 70 Y CB -0.280 38.195 38.460 0.025 0.000 0.982 70 Y HN 0.088 nan 8.280 nan 0.000 0.515 71 D N 0.444 120.797 120.400 -0.079 0.000 2.088 71 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 71 D C 2.188 178.391 176.300 -0.161 0.000 0.992 71 D CA 1.612 55.519 54.000 -0.155 0.000 0.831 71 D CB -0.635 40.162 40.800 -0.004 0.000 0.973 71 D HN 0.308 nan 8.370 nan 0.000 0.447 72 L N 1.234 122.409 121.223 -0.080 0.000 2.043 72 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 72 L C 2.523 179.352 176.870 -0.068 0.000 1.075 72 L CA 1.452 56.263 54.840 -0.050 0.000 0.752 72 L CB -1.219 40.831 42.059 -0.016 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 -0.087 0.000 1.902 73 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 73 A C 2.273 179.785 177.584 -0.119 0.000 1.181 73 A CA 1.856 53.853 52.037 -0.067 0.000 0.623 73 A CB -0.820 18.164 19.000 -0.027 0.000 0.818 73 A HN 0.364 nan 8.150 nan 0.000 0.443 74 L N -0.369 120.696 121.223 -0.264 0.000 2.056 74 L HA 0.009 4.349 4.340 -0.000 0.000 0.207 74 L C 2.617 179.405 176.870 -0.137 0.000 1.078 74 L CA 2.092 56.773 54.840 -0.264 0.000 0.749 74 L CB -0.808 40.945 42.059 -0.509 0.000 0.901 74 L HN 0.327 nan 8.230 nan 0.000 0.433 75 A N -1.411 121.342 122.820 -0.112 0.000 1.877 75 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 75 A C 2.526 180.076 177.584 -0.058 0.000 1.186 75 A CA 1.989 53.989 52.037 -0.062 0.000 0.620 75 A CB -1.248 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 -0.697 114.973 115.700 -0.050 0.000 2.370 76 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 76 S C 2.142 176.718 174.600 -0.041 0.000 1.033 76 S CA 2.157 60.336 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 0.511 nan 8.310 nan 0.000 0.457 77 K N 0.784 121.159 120.400 -0.041 0.000 2.097 77 K HA 0.133 4.453 4.320 -0.000 0.000 0.205 77 K C 2.103 178.658 176.600 -0.076 0.000 1.050 77 K CA 1.381 57.646 56.287 -0.036 0.000 0.938 77 K CB -0.383 32.113 32.500 -0.005 0.000 0.718 77 K HN 0.401 nan 8.250 nan 0.000 0.442 78 M N -0.329 119.222 119.600 -0.082 0.000 2.065 78 M HA -0.191 4.289 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 1.998 57.235 55.300 -0.105 0.000 1.110 78 M CB -0.414 32.135 32.600 -0.085 0.000 1.328 78 M HN 0.283 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 -0.254 4.066 4.320 -0.000 0.000 0.217 79 A C 2.022 179.547 177.584 -0.099 0.000 1.186 79 A CA 2.140 54.121 52.037 -0.093 0.000 0.624 79 A CB -0.945 18.010 19.000 -0.075 0.000 0.822 79 A HN 0.603 nan 8.150 nan 0.000 0.444 80 E N -0.164 119.984 120.200 -0.086 0.000 2.031 80 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 80 E C 2.000 178.524 176.600 -0.126 0.000 0.994 80 E CA 1.747 58.098 56.400 -0.081 0.000 0.800 80 E CB -0.172 29.500 29.700 -0.047 0.000 0.752 80 E HN 0.328 nan 8.360 nan 0.000 0.447 81 V N 1.623 121.428 119.914 -0.182 0.000 2.332 81 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 81 V C 2.551 178.464 176.094 -0.303 0.000 1.055 81 V CA 1.764 63.877 62.300 -0.312 0.000 1.038 81 V CB -0.997 30.520 31.823 -0.511 0.000 0.651 81 V HN 0.415 nan 8.190 nan 0.000 0.450 82 A N 0.982 123.659 122.820 -0.238 0.000 1.859 82 A HA -0.330 3.990 4.320 -0.000 0.000 0.217 82 A C 2.274 179.746 177.584 -0.186 0.000 1.198 82 A CA 2.378 54.286 52.037 -0.215 0.000 0.629 82 A CB -0.654 18.247 19.000 -0.164 0.000 0.830 82 A HN 0.753 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 -0.007 4.333 4.340 -0.000 0.000 0.205 83 Q C 2.086 178.017 176.000 -0.115 0.000 0.954 83 Q CA 1.007 56.740 55.803 -0.117 0.000 0.901 83 Q CB -0.180 28.504 28.738 -0.089 0.000 0.981 83 Q HN 0.655 nan 8.270 nan 0.000 0.483 84 R N 0.578 121.000 120.500 -0.130 0.000 2.062 84 R HA -0.044 4.296 4.340 -0.000 0.000 0.226 84 R C 1.408 177.624 176.300 -0.141 0.000 1.125 84 R CA 1.307 57.340 56.100 -0.112 0.000 0.966 84 R CB 0.308 30.551 30.300 -0.095 0.000 0.861 84 R HN 0.247 nan 8.270 nan 0.000 0.433 85 E N 0.370 120.435 120.200 -0.224 0.000 2.489 85 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 85 E C -0.201 176.257 176.600 -0.237 0.000 1.057 85 E CA -0.050 56.179 56.400 -0.286 0.000 0.866 85 E CB 0.058 29.406 29.700 -0.587 0.000 0.916 85 E HN 0.265 nan 8.360 nan 0.000 0.500 86 N N 1.211 119.796 118.700 -0.192 0.000 2.708 86 N HA -0.179 4.561 4.740 -0.000 0.000 0.255 86 N C -0.566 174.845 175.510 -0.164 0.000 1.046 86 N CA 0.346 53.307 53.050 -0.148 0.000 0.715 86 N CB -1.218 37.208 38.487 -0.103 0.000 0.895 86 N HN 0.213 nan 8.380 nan 0.000 0.545 87 L N 0.261 121.359 121.223 -0.208 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 -0.172 54.542 54.840 -0.210 0.000 0.821 87 L CB 0.402 42.312 42.059 -0.249 0.000 1.102 87 L HN 0.134 nan 8.230 nan 0.000 0.470 88 D N 1.203 121.501 120.400 -0.169 0.000 2.414 88 D HA 0.200 4.840 4.640 -0.000 0.000 0.237 88 D C 0.221 176.409 176.300 -0.187 0.000 0.975 88 D CA 1.085 54.992 54.000 -0.155 0.000 0.917 88 D CB 0.584 41.293 40.800 -0.152 0.000 1.061 88 D HN 0.190 nan 8.370 nan 0.000 0.480 89 I N 0.628 121.039 120.570 -0.265 0.000 2.603 89 I HA 0.252 4.422 4.170 -0.000 0.000 0.300 89 I C -0.987 174.966 176.117 -0.273 0.000 1.017 89 I CA -0.811 60.305 61.300 -0.307 0.000 1.098 89 I CB 2.613 40.284 38.000 -0.548 0.000 1.279 89 I HN -0.202 nan 8.210 nan 0.000 0.437 90 L N 5.569 126.673 121.223 -0.199 0.000 2.377 90 L HA 0.409 4.749 4.340 -0.000 0.000 0.270 90 L C -1.043 175.794 176.870 -0.056 0.000 0.991 90 L CA -0.109 54.650 54.840 -0.135 0.000 0.851 90 L CB 0.556 42.552 42.059 -0.105 0.000 1.218 90 L HN 0.600 nan 8.230 nan 0.000 0.420 91 H N 4.080 123.045 119.070 -0.176 0.000 2.556 91 H HA 0.627 5.183 4.556 -0.000 0.000 0.310 91 H C -1.207 174.102 175.328 -0.031 0.000 1.057 91 H CA -0.738 55.247 56.048 -0.105 0.000 1.264 91 H CB 1.339 31.045 29.762 -0.095 0.000 1.404 91 H HN 0.461 nan 8.280 nan 0.000 0.462 92 V N 5.437 125.460 119.914 0.182 0.000 2.769 92 V HA 0.098 4.218 4.120 -0.000 0.000 0.312 92 V C 0.350 176.461 176.094 0.029 0.000 1.058 92 V CA -0.359 61.989 62.300 0.078 0.000 0.952 92 V CB 1.886 33.765 31.823 0.094 0.000 1.019 92 V HN 0.928 nan 8.190 nan 0.000 0.445 93 H N 1.883 120.970 119.070 0.027 0.000 2.788 93 H HA 0.175 4.731 4.556 -0.000 0.000 0.262 93 H C -0.451 175.086 175.328 0.348 0.000 0.968 93 H CA 0.277 56.423 56.048 0.164 0.000 1.218 93 H CB 1.263 31.067 29.762 0.069 0.000 1.443 93 H HN 0.574 nan 8.280 nan 0.000 0.478 94 Y N 0.369 120.917 120.300 0.412 0.000 2.596 94 Y HA 0.481 5.031 4.550 -0.000 0.000 0.326 94 Y C 1.137 177.133 175.900 0.160 0.000 1.167 94 Y CA -0.091 58.154 58.100 0.242 0.000 1.246 94 Y CB 1.207 39.760 38.460 0.155 0.000 1.347 94 Y HN -0.053 nan 8.280 nan 0.000 0.515 95 A N 1.600 124.341 122.820 -0.131 0.000 1.871 95 A HA 0.175 4.495 4.320 -0.000 0.000 0.211 95 A C 0.168 177.761 177.584 0.016 0.000 1.207 95 A CA 0.834 52.840 52.037 -0.052 0.000 0.620 95 A CB -0.285 18.629 19.000 -0.144 0.000 0.860 95 A HN 0.443 nan 8.150 nan 0.000 0.450 96 I N 0.095 120.690 120.570 0.042 0.000 2.385 96 I HA 0.281 4.451 4.170 -0.000 0.000 0.294 96 I C -1.970 174.156 176.117 0.016 0.000 0.988 96 I CA -2.157 59.179 61.300 0.060 0.000 1.265 96 I CB 1.001 39.055 38.000 0.090 0.000 1.388 96 I HN 0.052 nan 8.210 nan 0.000 0.480 97 P HA 0.016 nan 4.420 nan 0.000 0.234 97 P C 1.212 178.529 177.300 0.028 0.000 1.175 97 P CA 0.753 63.842 63.100 -0.018 0.000 0.801 97 P CB 0.092 31.819 31.700 0.046 0.000 0.891 98 H N 1.059 120.182 119.070 0.088 0.000 2.375 98 H HA -0.219 4.337 4.556 -0.000 0.000 0.289 98 H C 1.907 177.263 175.328 0.048 0.000 1.121 98 H CA 1.803 57.877 56.048 0.043 0.000 1.207 98 H CB -1.477 28.304 29.762 0.031 0.000 1.355 98 H HN 0.133 nan 8.280 nan 0.000 0.486 99 A N 0.643 123.567 122.820 0.173 0.000 1.858 99 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 99 A C 2.717 180.374 177.584 0.121 0.000 1.190 99 A CA 1.758 53.858 52.037 0.105 0.000 0.617 99 A CB -0.790 18.240 19.000 0.049 0.000 0.827 99 A HN 0.263 nan 8.150 nan 0.000 0.443 100 I N -0.463 120.186 120.570 0.132 0.000 2.315 100 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 100 I C 2.478 178.718 176.117 0.205 0.000 1.117 100 I CA 1.005 62.421 61.300 0.194 0.000 1.404 100 I CB -0.376 37.724 38.000 0.168 0.000 1.071 100 I HN 0.400 nan 8.210 nan 0.000 0.419 101 C N 0.237 119.618 119.300 0.136 0.000 2.429 101 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 101 C C 3.109 178.143 174.990 0.074 0.000 1.262 101 C CA 0.893 59.963 59.018 0.087 0.000 1.733 101 C CB -1.396 26.378 27.740 0.056 0.000 2.010 101 C HN 0.594 nan 8.230 nan 0.000 0.483 102 A N -0.909 121.964 122.820 0.088 0.000 1.969 102 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 102 A C 1.937 179.565 177.584 0.073 0.000 1.169 102 A CA 1.595 53.662 52.037 0.050 0.000 0.635 102 A CB -0.840 18.189 19.000 0.048 0.000 0.810 102 A HN 0.686 nan 8.150 nan 0.000 0.445 103 Y N 0.447 120.757 120.300 0.015 0.000 2.114 103 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 103 Y C 1.951 177.873 175.900 0.038 0.000 1.143 103 Y CA 1.782 59.897 58.100 0.024 0.000 1.135 103 Y CB -0.461 38.043 38.460 0.073 0.000 0.980 103 Y HN 0.204 nan 8.280 nan 0.000 0.499 104 L N -0.134 121.067 121.223 -0.038 0.000 2.013 104 L HA -0.307 4.033 4.340 -0.000 0.000 0.212 104 L C 2.802 179.579 176.870 -0.155 0.000 1.073 104 L CA 1.439 56.201 54.840 -0.130 0.000 0.753 104 L CB -1.109 40.957 42.059 0.011 0.000 0.890 104 L HN 0.420 nan 8.230 nan 0.000 0.432 105 A N -0.236 122.528 122.820 -0.094 0.000 1.892 105 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 105 A C 2.392 179.901 177.584 -0.126 0.000 1.188 105 A CA 2.227 54.207 52.037 -0.095 0.000 0.631 105 A CB -0.576 18.380 19.000 -0.075 0.000 0.822 105 A HN 0.335 nan 8.150 nan 0.000 0.447 106 K N -1.113 119.199 120.400 -0.147 0.000 2.009 106 K HA -0.216 4.104 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 1.695 57.891 56.287 -0.152 0.000 0.929 106 K CB -0.210 32.206 32.500 -0.141 0.000 0.714 106 K HN 0.449 nan 8.250 nan 0.000 0.440 107 Q N 0.078 119.697 119.800 -0.302 0.000 2.135 107 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 107 Q C 2.058 177.962 176.000 -0.159 0.000 0.981 107 Q CA 1.540 57.182 55.803 -0.268 0.000 0.856 107 Q CB -0.245 28.254 28.738 -0.398 0.000 0.902 107 Q HN 0.454 nan 8.270 nan 0.000 0.425 108 M N 0.178 119.692 119.600 -0.143 0.000 2.229 108 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 108 M C 1.672 177.923 176.300 -0.081 0.000 1.063 108 M CA 0.993 56.237 55.300 -0.094 0.000 1.114 108 M CB -0.057 32.495 32.600 -0.080 0.000 1.387 108 M HN 0.176 nan 8.290 nan 0.000 0.420 109 I N -3.144 117.372 120.570 -0.090 0.000 3.874 109 I HA 0.443 4.613 4.170 -0.000 0.000 0.331 109 I C 0.758 176.832 176.117 -0.071 0.000 1.489 109 I CA -0.057 61.197 61.300 -0.078 0.000 1.187 109 I CB -0.768 37.182 38.000 -0.084 0.000 1.150 109 I HN 0.371 nan 8.210 nan 0.000 0.412 110 G N 1.772 110.530 108.800 -0.070 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 0.251 175.115 174.900 -0.059 0.000 1.010 110 G CA 0.482 45.547 45.100 -0.059 0.000 0.736 110 G HN 0.755 nan 8.290 nan 0.000 0.513 111 E N -2.288 117.867 120.200 -0.075 0.000 2.971 111 E HA -0.256 4.094 4.350 -0.000 0.000 0.278 111 E C 1.019 177.585 176.600 -0.058 0.000 1.009 111 E CA 0.971 57.330 56.400 -0.067 0.000 0.862 111 E CB -0.818 28.852 29.700 -0.049 0.000 1.436 111 E HN 0.793 nan 8.360 nan 0.000 0.434 112 R N 0.756 121.218 120.500 -0.063 0.000 4.263 112 R HA 0.309 4.649 4.340 -0.000 0.000 0.248 112 R C 0.194 176.451 176.300 -0.071 0.000 1.796 112 R CA 0.192 56.256 56.100 -0.060 0.000 1.518 112 R CB 0.192 30.457 30.300 -0.058 0.000 1.342 112 R HN 0.070 nan 8.270 nan 0.000 0.706 113 I N 0.423 120.950 120.570 -0.073 0.000 2.882 113 I HA 0.212 4.382 4.170 -0.000 0.000 0.298 113 I C -1.491 174.580 176.117 -0.077 0.000 1.462 113 I CA -0.824 60.424 61.300 -0.086 0.000 1.000 113 I CB 2.543 40.483 38.000 -0.101 0.000 1.340 113 I HN 0.020 nan 8.210 nan 0.000 0.462 114 K N 6.374 126.720 120.400 -0.089 0.000 2.235 114 K HA 0.584 4.904 4.320 -0.000 0.000 0.266 114 K C -0.757 175.792 176.600 -0.085 0.000 0.980 114 K CA -0.523 55.717 56.287 -0.077 0.000 0.849 114 K CB 1.746 34.201 32.500 -0.076 0.000 1.098 114 K HN 0.453 nan 8.250 nan 0.000 0.445 115 I N 2.690 123.224 120.570 -0.059 0.000 2.331 115 I HA 0.207 4.377 4.170 -0.000 0.000 0.292 115 I C -0.195 175.891 176.117 -0.051 0.000 0.998 115 I CA -0.987 60.284 61.300 -0.048 0.000 1.267 115 I CB 1.419 39.409 38.000 -0.017 0.000 1.386 115 I HN 0.017 nan 8.210 nan 0.000 0.476 116 V N 5.329 125.209 119.914 -0.057 0.000 2.378 116 V HA 0.341 4.461 4.120 -0.000 0.000 0.288 116 V C -0.028 176.066 176.094 0.000 0.000 1.016 116 V CA -0.425 61.821 62.300 -0.092 0.000 0.840 116 V CB 1.682 33.354 31.823 -0.251 0.000 0.994 116 V HN 0.721 nan 8.190 nan 0.000 0.431 117 T N 3.382 117.931 114.554 -0.009 0.000 2.771 117 T HA 0.426 4.776 4.350 -0.000 0.000 0.281 117 T C 0.073 174.774 174.700 0.001 0.000 0.982 117 T CA -0.266 61.847 62.100 0.021 0.000 0.978 117 T CB 1.277 70.137 68.868 -0.013 0.000 0.930 117 T HN 0.623 nan 8.240 nan 0.000 0.447 118 T N 4.549 119.092 114.554 -0.018 0.000 2.771 118 T HA 0.532 4.882 4.350 -0.000 0.000 0.281 118 T C 0.205 174.863 174.700 -0.070 0.000 0.982 118 T CA -0.571 61.489 62.100 -0.067 0.000 0.978 118 T CB 0.431 69.206 68.868 -0.155 0.000 0.930 118 T HN 0.319 nan 8.240 nan 0.000 0.447 119 L N 3.471 124.602 121.223 -0.154 0.000 2.431 119 L HA 0.636 4.976 4.340 -0.000 0.000 0.260 119 L C 0.619 177.346 176.870 -0.238 0.000 1.098 119 L CA -0.927 53.828 54.840 -0.140 0.000 0.800 119 L CB 0.800 42.761 42.059 -0.163 0.000 1.210 119 L HN 0.623 nan 8.230 nan 0.000 0.465 120 H N -0.844 118.174 119.070 -0.086 0.000 3.110 120 H HA 0.138 4.694 4.556 -0.000 0.000 0.277 120 H C 0.574 175.910 175.328 0.012 0.000 1.571 120 H CA -0.028 56.030 56.048 0.017 0.000 1.206 120 H CB 1.169 31.029 29.762 0.162 0.000 1.852 120 H HN 0.634 nan 8.280 nan 0.000 0.629 121 G N -0.271 108.698 108.800 0.282 0.000 2.511 121 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 121 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 121 G C 1.332 176.313 174.900 0.135 0.000 1.218 121 G CA 2.194 47.402 45.100 0.181 0.000 0.788 121 G HN 0.601 nan 8.290 nan 0.000 0.560 122 T N 0.938 115.627 114.554 0.226 0.000 2.896 122 T HA -0.067 4.283 4.350 -0.000 0.000 0.263 122 T C 1.973 176.781 174.700 0.179 0.000 1.050 122 T CA 1.540 63.776 62.100 0.228 0.000 1.140 122 T CB -0.383 68.665 68.868 0.299 0.000 0.877 122 T HN 0.466 nan 8.240 nan 0.000 0.457 123 D N 1.640 122.038 120.400 -0.003 0.000 2.158 123 D HA -0.124 4.516 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 0.976 54.756 54.000 -0.367 0.000 0.846 123 D CB -0.429 39.590 40.800 -1.302 0.000 0.941 123 D HN 0.402 nan 8.370 nan 0.000 0.456 124 I N 0.161 120.663 120.570 -0.113 0.000 2.899 124 I HA -0.074 4.096 4.170 -0.000 0.000 0.257 124 I C 2.399 178.508 176.117 -0.013 0.000 1.115 124 I CA 0.735 61.995 61.300 -0.067 0.000 1.451 124 I CB -0.595 37.356 38.000 -0.081 0.000 1.251 124 I HN -0.086 nan 8.210 nan 0.000 0.456 125 T N 0.157 114.718 114.554 0.012 0.000 2.544 125 T HA -0.257 4.093 4.350 -0.000 0.000 0.264 125 T C 1.883 176.607 174.700 0.040 0.000 1.096 125 T CA 2.456 64.577 62.100 0.035 0.000 1.181 125 T CB -0.578 68.326 68.868 0.060 0.000 0.864 125 T HN 0.228 nan 8.240 nan 0.000 0.415 126 V N 0.181 120.130 119.914 0.059 0.000 2.575 126 V HA 0.178 4.298 4.120 -0.000 0.000 0.242 126 V C 2.234 178.359 176.094 0.052 0.000 1.045 126 V CA 0.846 63.181 62.300 0.057 0.000 1.065 126 V CB -0.430 31.436 31.823 0.071 0.000 0.717 126 V HN 0.477 nan 8.190 nan 0.000 0.467 127 L N 0.881 122.142 121.223 0.065 0.000 1.994 127 L HA -0.009 4.331 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 1.893 56.766 54.840 0.055 0.000 0.745 127 L CB -1.289 40.815 42.059 0.076 0.000 0.892 127 L HN 0.489 nan 8.230 nan 0.000 0.431 128 G N -0.521 108.286 108.800 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 1.781 176.686 174.900 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 0.015 115.725 115.700 0.017 0.000 2.387 129 S HA -0.081 4.389 4.470 -0.000 0.000 0.226 129 S C 1.044 175.654 174.600 0.018 0.000 1.026 129 S CA 0.780 58.991 58.200 0.018 0.000 0.972 129 S CB -0.166 63.047 63.200 0.023 0.000 0.814 129 S HN 0.237 nan 8.310 nan 0.000 0.477 130 D N 3.737 124.149 120.400 0.020 0.000 2.363 130 D HA 0.178 4.818 4.640 -0.000 0.000 0.263 130 D C -1.123 175.186 176.300 0.016 0.000 1.258 130 D CA -2.090 51.921 54.000 0.019 0.000 0.907 130 D CB 1.471 42.284 40.800 0.021 0.000 1.107 130 D HN 0.173 nan 8.370 nan 0.000 0.495 131 P HA -0.176 nan 4.420 nan 0.000 0.219 131 P C 1.105 178.412 177.300 0.011 0.000 1.146 131 P CA 0.814 63.921 63.100 0.012 0.000 0.808 131 P CB 0.110 31.817 31.700 0.011 0.000 0.779 132 S N -1.038 114.669 115.700 0.012 0.000 2.555 132 S HA 0.011 4.481 4.470 -0.000 0.000 0.230 132 S C 1.511 176.118 174.600 0.011 0.000 0.978 132 S CA 0.422 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 -0.238 120.993 121.223 0.014 0.000 3.360 133 L HA 0.373 4.713 4.340 -0.000 0.000 0.303 133 L C 1.661 178.541 176.870 0.016 0.000 1.218 133 L CA -0.096 54.754 54.840 0.017 0.000 1.059 133 L CB -0.297 41.776 42.059 0.022 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 2.391 55.447 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 0.610 119.320 118.700 0.017 0.000 2.258 135 N HA -0.186 4.554 4.740 -0.000 0.000 0.187 135 N C 1.655 177.197 175.510 0.054 0.000 1.012 135 N CA 0.953 54.020 53.050 0.028 0.000 0.870 135 N CB -0.754 37.738 38.487 0.008 0.000 0.977 135 N HN 0.326 nan 8.380 nan 0.000 0.434 136 L N 0.741 121.987 121.223 0.039 0.000 2.072 136 L HA 0.162 4.502 4.340 -0.000 0.000 0.205 136 L C 2.308 179.226 176.870 0.080 0.000 1.079 136 L CA 1.043 55.919 54.840 0.061 0.000 0.752 136 L CB -0.531 41.549 42.059 0.034 0.000 0.906 136 L HN 0.119 nan 8.230 nan 0.000 0.436 137 I N -1.019 119.574 120.570 0.037 0.000 2.252 137 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 137 I C 2.685 178.797 176.117 -0.007 0.000 1.102 137 I CA 1.086 62.390 61.300 0.007 0.000 1.385 137 I CB -0.384 37.605 38.000 -0.018 0.000 1.064 137 I HN 0.289 nan 8.210 nan 0.000 0.414 138 R N 1.049 121.554 120.500 0.009 0.000 2.082 138 R HA -0.247 4.093 4.340 -0.000 0.000 0.234 138 R C 2.509 178.798 176.300 -0.019 0.000 1.136 138 R CA 2.032 58.128 56.100 -0.007 0.000 0.935 138 R CB -0.576 29.734 30.300 0.018 0.000 0.842 138 R HN 0.228 nan 8.270 nan 0.000 0.430 139 F N 0.875 120.769 119.950 -0.094 0.000 2.120 139 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 139 F C 2.052 177.749 175.800 -0.173 0.000 1.095 139 F CA 2.102 60.017 58.000 -0.143 0.000 1.249 139 F CB -0.680 38.223 39.000 -0.161 0.000 0.995 139 F HN 0.196 nan 8.300 nan 0.000 0.480 140 G N 0.509 109.233 108.800 -0.127 0.000 2.418 140 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 140 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 140 G C 1.744 176.523 174.900 -0.201 0.000 1.158 140 G CA 1.237 46.237 45.100 -0.166 0.000 0.771 140 G HN 0.480 nan 8.290 nan 0.000 0.545 141 I N 0.550 121.025 120.570 -0.159 0.000 2.163 141 I HA -0.132 4.038 4.170 -0.000 0.000 0.240 141 I C 2.777 178.786 176.117 -0.179 0.000 1.081 141 I CA 1.285 62.498 61.300 -0.145 0.000 1.353 141 I CB -0.308 37.615 38.000 -0.129 0.000 1.054 141 I HN 0.257 nan 8.210 nan 0.000 0.407 142 E N 0.341 120.412 120.200 -0.216 0.000 2.160 142 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 142 E C 2.009 178.442 176.600 -0.279 0.000 0.991 142 E CA 0.856 57.125 56.400 -0.217 0.000 0.810 142 E CB -0.082 29.493 29.700 -0.207 0.000 0.742 142 E HN 0.475 nan 8.360 nan 0.000 0.466 143 Q N 0.377 119.913 119.800 -0.440 0.000 2.389 143 Q HA 0.085 4.425 4.340 -0.000 0.000 0.204 143 Q C 0.651 176.550 176.000 -0.167 0.000 0.944 143 Q CA 0.288 55.850 55.803 -0.403 0.000 0.908 143 Q CB 0.339 28.617 28.738 -0.767 0.000 1.002 143 Q HN 0.062 nan 8.270 nan 0.000 0.493 144 S N 1.609 117.223 115.700 -0.143 0.000 2.585 144 S HA 0.060 4.530 4.470 -0.000 0.000 0.273 144 S C 0.735 175.295 174.600 -0.066 0.000 1.339 144 S CA -0.437 57.719 58.200 -0.073 0.000 1.028 144 S CB 0.864 64.022 63.200 -0.069 0.000 0.906 144 S HN 0.169 nan 8.310 nan 0.000 0.528 145 D N 0.286 120.657 120.400 -0.049 0.000 2.162 145 D HA 0.045 4.685 4.640 -0.000 0.000 0.203 145 D C 0.272 176.542 176.300 -0.050 0.000 0.967 145 D CA 1.115 55.088 54.000 -0.045 0.000 0.840 145 D CB 0.189 40.967 40.800 -0.038 0.000 0.972 145 D HN 0.223 nan 8.370 nan 0.000 0.482 146 V N 0.822 120.703 119.914 -0.056 0.000 2.841 146 V HA 0.413 4.533 4.120 -0.000 0.000 0.310 146 V C -0.276 175.775 176.094 -0.071 0.000 1.090 146 V CA -0.829 61.434 62.300 -0.062 0.000 0.930 146 V CB 3.013 34.799 31.823 -0.062 0.000 1.014 146 V HN -0.262 nan 8.190 nan 0.000 0.425 147 V N 2.585 122.452 119.914 -0.078 0.000 2.709 147 V HA 0.838 4.958 4.120 -0.000 0.000 0.308 147 V C -0.080 175.954 176.094 -0.100 0.000 1.062 147 V CA -0.276 61.973 62.300 -0.085 0.000 0.901 147 V CB 2.348 34.114 31.823 -0.096 0.000 1.003 147 V HN 1.099 nan 8.190 nan 0.000 0.425 148 T N 1.321 115.815 114.554 -0.100 0.000 2.883 148 T HA 0.952 5.302 4.350 -0.000 0.000 0.296 148 T C -0.575 174.019 174.700 -0.177 0.000 1.117 148 T CA -0.201 61.815 62.100 -0.140 0.000 1.006 148 T CB 2.286 71.086 68.868 -0.113 0.000 1.191 148 T HN 1.313 nan 8.240 nan 0.000 0.508 149 A N 0.735 123.405 122.820 -0.250 0.000 2.485 149 A HA 0.765 5.085 4.320 -0.000 0.000 0.292 149 A C 1.068 178.421 177.584 -0.386 0.000 1.147 149 A CA -0.273 51.588 52.037 -0.293 0.000 0.750 149 A CB 1.289 20.134 19.000 -0.258 0.000 1.331 149 A HN 1.695 nan 8.150 nan 0.000 0.419 150 V N -1.495 118.169 119.914 -0.418 0.000 3.406 150 V HA 0.360 4.480 4.120 -0.000 0.000 0.263 150 V C 0.580 176.296 176.094 -0.629 0.000 1.172 150 V CA 1.178 63.155 62.300 -0.537 0.000 1.140 150 V CB -1.124 30.381 31.823 -0.530 0.000 0.784 150 V HN 1.523 nan 8.190 nan 0.000 0.467 151 S N -2.157 113.282 115.700 -0.435 0.000 2.547 151 S HA 0.482 4.951 4.470 -0.000 0.000 0.270 151 S C 0.039 174.507 174.600 -0.220 0.000 1.150 151 S CA -0.301 57.744 58.200 -0.258 0.000 0.850 151 S CB 1.231 64.433 63.200 0.004 0.000 1.118 151 S HN 0.263 nan 8.310 nan 0.000 0.461 152 H N 1.115 120.166 119.070 -0.032 0.000 2.421 152 H HA 0.036 4.592 4.556 -0.000 0.000 0.298 152 H C 2.324 177.662 175.328 0.017 0.000 1.087 152 H CA 1.954 57.994 56.048 -0.013 0.000 1.330 152 H CB 0.019 29.802 29.762 0.034 0.000 1.388 152 H HN 0.602 nan 8.280 nan 0.000 0.526 153 S N -0.025 115.773 115.700 0.163 0.000 2.383 153 S HA -0.139 4.331 4.470 -0.000 0.000 0.229 153 S C 2.067 176.704 174.600 0.061 0.000 1.030 153 S CA 0.947 59.216 58.200 0.115 0.000 1.002 153 S CB -0.274 63.000 63.200 0.123 0.000 0.829 153 S HN 0.281 nan 8.310 nan 0.000 0.467 154 L N 1.816 123.049 121.223 0.017 0.000 2.027 154 L HA 0.156 4.496 4.340 -0.000 0.000 0.206 154 L C 2.016 178.858 176.870 -0.046 0.000 1.074 154 L CA 1.650 56.474 54.840 -0.027 0.000 0.745 154 L CB -0.684 41.328 42.059 -0.079 0.000 0.898 154 L HN 0.392 nan 8.230 nan 0.000 0.433 155 I N -0.366 120.172 120.570 -0.053 0.000 2.530 155 I HA -0.286 3.883 4.170 -0.000 0.000 0.257 155 I C 2.085 178.243 176.117 0.068 0.000 1.179 155 I CA 0.899 62.179 61.300 -0.034 0.000 1.440 155 I CB -0.505 37.489 38.000 -0.010 0.000 1.087 155 I HN 0.443 nan 8.210 nan 0.000 0.440 156 N N 0.423 119.169 118.700 0.077 0.000 2.220 156 N HA -0.111 4.629 4.740 -0.000 0.000 0.182 156 N C 1.722 177.275 175.510 0.073 0.000 1.023 156 N CA 0.858 53.970 53.050 0.103 0.000 0.856 156 N CB 0.123 38.662 38.487 0.088 0.000 0.997 156 N HN 0.295 nan 8.380 nan 0.000 0.429 157 E N 0.395 120.618 120.200 0.037 0.000 2.118 157 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 157 E C 1.657 178.253 176.600 -0.007 0.000 0.992 157 E CA 1.010 57.422 56.400 0.020 0.000 0.804 157 E CB -0.241 29.468 29.700 0.015 0.000 0.741 157 E HN 0.349 nan 8.360 nan 0.000 0.458 158 T N 0.518 115.039 114.554 -0.055 0.000 2.708 158 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 158 T C 1.618 176.235 174.700 -0.139 0.000 1.037 158 T CA 0.993 63.010 62.100 -0.138 0.000 1.146 158 T CB -0.246 68.467 68.868 -0.258 0.000 0.865 158 T HN 0.250 nan 8.240 nan 0.000 0.435 159 H N 0.550 119.610 119.070 -0.017 0.000 2.524 159 H HA 0.097 4.653 4.556 -0.000 0.000 0.282 159 H C 2.273 177.597 175.328 -0.006 0.000 1.016 159 H CA 0.864 56.904 56.048 -0.013 0.000 1.270 159 H CB 0.125 29.880 29.762 -0.012 0.000 1.394 159 H HN 0.544 nan 8.280 nan 0.000 0.568 160 E N 0.481 120.739 120.200 0.097 0.000 2.075 160 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 160 E C 1.914 178.536 176.600 0.037 0.000 0.969 160 E CA 0.177 56.614 56.400 0.062 0.000 0.815 160 E CB 0.332 30.062 29.700 0.050 0.000 0.776 160 E HN 0.305 nan 8.360 nan 0.000 0.457 161 L N 0.051 121.285 121.223 0.020 0.000 2.145 161 L HA 0.001 4.341 4.340 -0.000 0.000 0.201 161 L C 2.408 179.280 176.870 0.003 0.000 1.075 161 L CA 0.338 55.184 54.840 0.010 0.000 0.773 161 L CB -0.136 41.925 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 -0.062 4.058 4.120 -0.000 0.000 0.246 162 V C 0.806 176.897 176.094 -0.005 0.000 1.045 162 V CA 0.547 62.834 62.300 -0.022 0.000 1.058 162 V CB -0.494 31.295 31.823 -0.056 0.000 0.689 162 V HN 0.464 nan 8.190 nan 0.000 0.461 163 K N -0.217 120.190 120.400 0.012 0.000 3.244 163 K HA -0.141 4.178 4.320 -0.000 0.000 0.270 163 K C -2.371 174.263 176.600 0.057 0.000 1.016 163 K CA 0.323 56.650 56.287 0.067 0.000 0.754 163 K CB -1.481 31.050 32.500 0.053 0.000 1.326 163 K HN 0.469 nan 8.250 nan 0.000 0.465 164 P HA 0.046 nan 4.420 nan 0.000 0.277 164 P C -0.793 176.547 177.300 0.066 0.000 1.240 164 P CA -0.211 62.891 63.100 0.004 0.000 0.798 164 P CB 0.613 32.266 31.700 -0.078 0.000 0.979 165 N N 1.573 120.291 118.700 0.030 0.000 3.322 165 N HA 0.190 4.930 4.740 -0.000 0.000 0.290 165 N C -0.064 175.456 175.510 0.017 0.000 1.297 165 N CA -0.165 52.906 53.050 0.034 0.000 1.167 165 N CB 0.098 38.592 38.487 0.012 0.000 1.434 165 N HN 0.319 nan 8.380 nan 0.000 0.526 166 K N 0.440 120.867 120.400 0.047 0.000 2.556 166 K HA 0.283 4.603 4.320 -0.000 0.000 0.274 166 K C -2.019 174.616 176.600 0.058 0.000 0.966 166 K CA -0.692 55.602 56.287 0.011 0.000 0.865 166 K CB 1.482 33.955 32.500 -0.044 0.000 1.444 166 K HN -0.111 nan 8.250 nan 0.000 0.433 167 D N 2.174 122.587 120.400 0.021 0.000 2.210 167 D HA 0.364 5.004 4.640 -0.000 0.000 0.249 167 D C -0.358 175.941 176.300 -0.001 0.000 1.078 167 D CA 0.035 54.056 54.000 0.034 0.000 0.875 167 D CB 0.906 41.706 40.800 0.000 0.000 1.175 167 D HN 0.395 nan 8.370 nan 0.000 0.440 168 I N 2.080 122.660 120.570 0.016 0.000 2.406 168 I HA 0.165 4.335 4.170 -0.000 0.000 0.290 168 I C 0.543 176.612 176.117 -0.081 0.000 0.999 168 I CA -0.734 60.530 61.300 -0.059 0.000 1.124 168 I CB 1.517 39.458 38.000 -0.098 0.000 1.289 168 I HN 0.026 nan 8.210 nan 0.000 0.441 169 Q N 3.292 123.017 119.800 -0.126 0.000 2.249 169 Q HA 0.477 4.817 4.340 -0.000 0.000 0.226 169 Q C -0.605 175.236 176.000 -0.265 0.000 0.983 169 Q CA -0.545 55.157 55.803 -0.168 0.000 0.930 169 Q CB 1.505 30.139 28.738 -0.174 0.000 1.193 169 Q HN 0.516 nan 8.270 nan 0.000 0.508 170 T N 0.756 115.098 114.554 -0.352 0.000 2.807 170 T HA 0.517 4.867 4.350 -0.000 0.000 0.279 170 T C -1.070 173.298 174.700 -0.553 0.000 0.993 170 T CA -0.543 61.222 62.100 -0.559 0.000 0.970 170 T CB 1.036 69.358 68.868 -0.911 0.000 0.950 170 T HN 0.261 nan 8.240 nan 0.000 0.441 171 V N 4.070 123.643 119.914 -0.567 0.000 2.532 171 V HA 0.337 4.457 4.120 -0.000 0.000 0.294 171 V C -1.009 174.873 176.094 -0.354 0.000 1.036 171 V CA -1.202 60.812 62.300 -0.477 0.000 0.876 171 V CB 0.729 32.164 31.823 -0.646 0.000 1.012 171 V HN 0.850 nan 8.190 nan 0.000 0.432 172 Y N 2.219 122.481 120.300 -0.063 0.000 2.330 172 Y HA 0.237 4.787 4.550 -0.000 0.000 0.341 172 Y C 1.172 177.177 175.900 0.176 0.000 1.278 172 Y CA 0.204 58.292 58.100 -0.020 0.000 1.453 172 Y CB 0.670 39.369 38.460 0.398 0.000 1.342 172 Y HN 0.607 nan 8.280 nan 0.000 0.590 173 N N 0.596 119.520 118.700 0.374 0.000 2.445 173 N HA 0.392 5.132 4.740 -0.000 0.000 0.264 173 N C -1.162 174.659 175.510 0.518 0.000 1.227 173 N CA -0.488 52.844 53.050 0.471 0.000 0.963 173 N CB 0.632 39.390 38.487 0.450 0.000 1.188 173 N HN 0.471 nan 8.380 nan 0.000 0.491 174 F N -1.466 118.636 119.950 0.253 0.000 2.691 174 F HA 0.773 5.300 4.527 0.000 0.000 0.334 174 F C -1.150 174.694 175.800 0.074 0.000 1.107 174 F CA -1.158 56.947 58.000 0.175 0.000 0.991 174 F CB 1.003 40.122 39.000 0.199 0.000 1.400 174 F HN 0.061 nan 8.300 nan 0.000 0.503 175 I N 0.876 121.560 120.570 0.190 0.000 2.769 175 I HA 0.215 4.385 4.170 -0.000 0.000 0.298 175 I C -1.393 174.860 176.117 0.227 0.000 1.128 175 I CA -0.628 60.671 61.300 -0.002 0.000 1.031 175 I CB 1.764 39.635 38.000 -0.215 0.000 1.235 175 I HN 0.666 nan 8.210 nan 0.000 0.423 176 D N 4.210 124.753 120.400 0.238 0.000 2.374 176 D HA 0.148 4.788 4.640 -0.000 0.000 0.240 176 D C 1.128 177.656 176.300 0.380 0.000 1.229 176 D CA 0.156 54.354 54.000 0.330 0.000 0.895 176 D CB 0.736 41.723 40.800 0.311 0.000 1.046 176 D HN 0.414 nan 8.370 nan 0.000 0.498 177 E N 2.316 122.717 120.200 0.335 0.000 2.267 177 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 177 E C 1.316 178.173 176.600 0.429 0.000 0.998 177 E CA 0.492 57.114 56.400 0.369 0.000 0.830 177 E CB 0.182 30.067 29.700 0.309 0.000 0.751 177 E HN 0.203 nan 8.360 nan 0.000 0.491 178 R N 0.474 121.183 120.500 0.348 0.000 2.357 178 R HA -0.036 4.304 4.340 -0.000 0.000 0.202 178 R C 1.276 177.850 176.300 0.457 0.000 1.047 178 R CA 0.460 56.750 56.100 0.317 0.000 1.034 178 R CB 0.160 30.593 30.300 0.222 0.000 0.875 178 R HN 0.041 nan 8.270 nan 0.000 0.473 179 V N -1.841 118.334 119.914 0.435 0.000 3.431 179 V HA 0.203 4.323 4.120 -0.000 0.000 0.255 179 V C -0.656 175.238 176.094 -0.334 0.000 1.403 179 V CA -0.084 62.296 62.300 0.133 0.000 1.101 179 V CB 0.246 32.108 31.823 0.065 0.000 0.891 179 V HN -0.050 nan 8.190 nan 0.000 0.446 180 Y N 1.957 122.270 120.300 0.021 0.000 2.464 180 Y HA 0.701 5.251 4.550 -0.000 0.000 0.326 180 Y C -0.449 175.498 175.900 0.079 0.000 0.969 180 Y CA -1.667 56.361 58.100 -0.120 0.000 1.270 180 Y CB 0.829 39.281 38.460 -0.014 0.000 1.103 180 Y HN 0.176 nan 8.280 nan 0.000 0.491 181 F N -1.138 118.889 119.950 0.128 0.000 2.640 181 F HA 0.545 5.072 4.527 0.000 0.000 0.324 181 F C 0.656 176.503 175.800 0.078 0.000 1.077 181 F CA -1.944 56.118 58.000 0.104 0.000 0.965 181 F CB 1.251 40.296 39.000 0.074 0.000 1.351 181 F HN 0.018 nan 8.300 nan 0.000 0.487 182 K N 1.509 122.073 120.400 0.273 0.000 2.668 182 K HA 0.012 4.332 4.320 -0.000 0.000 0.204 182 K C 0.534 177.226 176.600 0.155 0.000 1.016 182 K CA -0.158 56.225 56.287 0.160 0.000 1.131 182 K CB -0.175 32.403 32.500 0.130 0.000 0.891 182 K HN 0.677 nan 8.250 nan 0.000 0.499 183 R N 1.876 122.508 120.500 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 0.549 56.764 56.100 0.191 0.000 1.133 183 R CB 0.088 30.538 30.300 0.250 0.000 1.013 183 R HN 0.029 nan 8.270 nan 0.000 0.453 184 D N 3.332 123.775 120.400 0.073 0.000 2.593 184 D HA 0.141 4.781 4.640 -0.000 0.000 0.251 184 D C 0.022 176.346 176.300 0.041 0.000 1.140 184 D CA -0.791 53.238 54.000 0.047 0.000 0.855 184 D CB 1.353 42.182 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 -0.239 55.083 55.300 0.036 0.000 1.621 185 M CB -0.697 31.923 32.600 0.034 0.000 1.056 185 M HN 0.487 nan 8.290 nan 0.000 0.593 186 T N 0.558 115.136 114.554 0.041 0.000 2.833 186 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 186 T C 1.591 176.316 174.700 0.043 0.000 1.054 186 T CA 1.801 63.924 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 -0.249 119.575 119.800 0.041 0.000 2.230 187 Q HA 0.047 4.387 4.340 -0.000 0.000 0.202 187 Q C 2.140 178.167 176.000 0.046 0.000 0.963 187 Q CA 0.860 56.684 55.803 0.036 0.000 0.866 187 Q CB -0.132 28.623 28.738 0.028 0.000 0.931 187 Q HN 0.378 nan 8.270 nan 0.000 0.452 188 L N 0.952 122.216 121.223 0.068 0.000 2.179 188 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 188 L C 1.591 178.574 176.870 0.190 0.000 1.096 188 L CA 1.648 56.557 54.840 0.115 0.000 0.779 188 L CB -0.050 42.095 42.059 0.145 0.000 0.922 188 L HN -0.062 nan 8.230 nan 0.000 0.443 189 K N -0.596 119.891 120.400 0.144 0.000 2.103 189 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 189 K C 2.139 178.819 176.600 0.134 0.000 1.048 189 K CA 1.169 57.542 56.287 0.143 0.000 0.930 189 K CB -0.224 32.323 32.500 0.077 0.000 0.716 189 K HN 0.117 nan 8.250 nan 0.000 0.444 190 K N 1.463 121.914 120.400 0.084 0.000 2.026 190 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 190 K C 1.995 178.616 176.600 0.035 0.000 1.048 190 K CA 1.449 57.767 56.287 0.052 0.000 0.929 190 K CB -0.039 32.480 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 0.942 177.436 176.600 -0.177 0.000 1.007 191 E CA 0.979 57.327 56.400 -0.087 0.000 0.845 191 E CB 0.068 29.689 29.700 -0.131 0.000 0.766 191 E HN 0.278 nan 8.360 nan 0.000 0.507 192 Y N -1.299 119.007 120.300 0.010 0.000 2.458 192 Y HA 0.259 4.809 4.550 -0.000 0.000 0.256 192 Y C 1.352 177.263 175.900 0.019 0.000 1.159 192 Y CA 0.493 58.601 58.100 0.014 0.000 1.261 192 Y CB 1.353 39.820 38.460 0.011 0.000 1.119 192 Y HN 0.116 nan 8.280 nan 0.000 0.524 193 G N 1.353 110.228 108.800 0.125 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 -0.013 174.940 174.900 0.088 0.000 1.002 193 G CA 0.321 45.474 45.100 0.089 0.000 0.702 193 G HN 0.374 nan 8.290 nan 0.000 0.515 194 I N 0.326 120.954 120.570 0.097 0.000 2.562 194 I HA 0.646 4.816 4.170 -0.000 0.000 0.301 194 I C 1.117 177.268 176.117 0.056 0.000 1.003 194 I CA -0.274 61.071 61.300 0.075 0.000 1.127 194 I CB 1.483 39.530 38.000 0.078 0.000 1.304 194 I HN 0.246 nan 8.210 nan 0.000 0.446 200 I N 3.282 123.881 120.570 0.048 0.000 2.389 200 I HA 0.316 4.486 4.170 -0.000 0.000 0.288 200 I C -0.796 175.347 176.117 0.043 0.000 0.999 200 I CA -1.121 60.201 61.300 0.037 0.000 1.129 200 I CB 1.245 39.245 38.000 -0.001 0.000 1.288 200 I HN 0.257 nan 8.210 nan 0.000 0.444 201 L N 7.607 128.847 121.223 0.027 0.000 2.298 201 L HA 0.482 4.822 4.340 -0.000 0.000 0.284 201 L C -0.374 176.447 176.870 -0.081 0.000 1.013 201 L CA -0.176 54.669 54.840 0.007 0.000 0.824 201 L CB 1.428 43.523 42.059 0.060 0.000 1.221 201 L HN 0.435 nan 8.230 nan 0.000 0.418 202 I N 3.355 123.897 120.570 -0.046 0.000 2.441 202 I HA 0.376 4.546 4.170 -0.000 0.000 0.295 202 I C -1.215 174.899 176.117 -0.005 0.000 0.994 202 I CA -0.498 60.766 61.300 -0.060 0.000 1.144 202 I CB 1.641 39.604 38.000 -0.061 0.000 1.314 202 I HN 0.739 nan 8.210 nan 0.000 0.445 203 H N 6.977 125.974 119.070 -0.123 0.000 2.782 203 H HA 0.605 5.161 4.556 -0.000 0.000 0.347 203 H C -1.691 173.595 175.328 -0.071 0.000 1.038 203 H CA -0.503 55.478 56.048 -0.111 0.000 1.255 203 H CB 1.390 31.055 29.762 -0.162 0.000 1.623 203 H HN 0.437 nan 8.280 nan 0.000 0.525 204 I N 5.063 125.205 120.570 -0.713 0.000 2.436 204 I HA 0.508 4.678 4.170 -0.000 0.000 0.289 204 I C -0.433 175.336 176.117 -0.581 0.000 1.010 204 I CA -0.464 60.537 61.300 -0.498 0.000 1.098 204 I CB 1.551 39.421 38.000 -0.216 0.000 1.266 204 I HN 0.777 nan 8.210 nan 0.000 0.434 205 S N 3.112 118.616 115.700 -0.326 0.000 2.661 205 S HA 0.332 4.802 4.470 -0.000 0.000 0.268 205 S C -0.647 174.039 174.600 0.144 0.000 1.162 205 S CA -0.887 57.246 58.200 -0.112 0.000 0.817 205 S CB 1.395 64.535 63.200 -0.100 0.000 1.141 205 S HN 0.645 nan 8.310 nan 0.000 0.477 206 N N -0.250 118.543 118.700 0.154 0.000 2.320 206 N HA 0.263 5.003 4.740 -0.000 0.000 0.237 206 N C -0.414 175.311 175.510 0.358 0.000 1.129 206 N CA -0.597 52.585 53.050 0.220 0.000 0.854 206 N CB -0.972 37.578 38.487 0.106 0.000 1.083 206 N HN 0.555 nan 8.380 nan 0.000 0.504 207 F N 0.053 120.068 119.950 0.108 0.000 2.925 207 F HA -0.315 4.212 4.527 -0.000 0.000 0.239 207 F C 0.537 176.397 175.800 0.101 0.000 1.009 207 F CA 0.524 58.605 58.000 0.136 0.000 0.847 207 F CB -1.526 37.598 39.000 0.207 0.000 0.719 207 F HN 0.251 nan 8.300 nan 0.000 0.826 208 R N -0.058 120.537 120.500 0.157 0.000 2.674 208 R HA 0.361 4.701 4.340 -0.000 0.000 0.266 208 R C 1.450 177.786 176.300 0.061 0.000 1.016 208 R CA -0.958 55.206 56.100 0.107 0.000 1.062 208 R CB 0.948 31.296 30.300 0.080 0.000 1.142 208 R HN 0.160 nan 8.270 nan 0.000 0.517 209 K N 0.320 120.751 120.400 0.052 0.000 2.147 209 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 209 K C 1.728 178.338 176.600 0.017 0.000 1.049 209 K CA 1.131 57.437 56.287 0.031 0.000 0.936 209 K CB -0.043 32.477 32.500 0.032 0.000 0.722 209 K HN 0.270 nan 8.250 nan 0.000 0.446 210 V N 1.752 121.682 119.914 0.026 0.000 2.626 210 V HA -0.179 3.941 4.120 -0.000 0.000 0.252 210 V C 1.854 177.958 176.094 0.016 0.000 1.067 210 V CA 1.417 63.732 62.300 0.025 0.000 1.081 210 V CB -0.446 31.399 31.823 0.036 0.000 0.686 210 V HN 0.196 nan 8.190 nan 0.000 0.468 211 K N -0.122 120.285 120.400 0.011 0.000 2.365 211 K HA 0.032 4.352 4.320 -0.000 0.000 0.199 211 K C 0.653 177.223 176.600 -0.050 0.000 1.045 211 K CA 0.063 56.351 56.287 0.001 0.000 0.962 211 K CB -0.195 32.311 32.500 0.011 0.000 0.759 211 K HN 0.337 nan 8.250 nan 0.000 0.469 212 R N 0.216 120.681 120.500 -0.058 0.000 3.264 212 R HA -0.123 4.217 4.340 -0.000 0.000 0.251 212 R C 0.904 177.106 176.300 -0.165 0.000 0.971 212 R CA 0.410 56.460 56.100 -0.083 0.000 0.658 212 R CB -2.989 27.274 30.300 -0.062 0.000 1.095 212 R HN 0.037 nan 8.270 nan 0.000 0.443 213 V N 0.141 119.920 119.914 -0.224 0.000 2.720 213 V HA -0.323 3.797 4.120 -0.000 0.000 0.256 213 V C 2.308 178.241 176.094 -0.269 0.000 1.082 213 V CA 2.297 64.369 62.300 -0.381 0.000 1.101 213 V CB -0.224 31.268 31.823 -0.552 0.000 0.693 213 V HN 0.415 nan 8.190 nan 0.000 0.479 214 Q N 0.475 120.185 119.800 -0.151 0.000 2.096 214 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 214 Q C 1.895 177.839 176.000 -0.094 0.000 0.982 214 Q CA 1.965 57.714 55.803 -0.091 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 0.894 54.841 54.000 -0.088 0.000 0.842 215 D CB -0.063 40.691 40.800 -0.078 0.000 0.948 215 D HN 0.110 nan 8.370 nan 0.000 0.472 216 V N 0.583 120.374 119.914 -0.204 0.000 2.515 216 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 216 V C 2.557 178.571 176.094 -0.133 0.000 1.058 216 V CA 0.857 63.011 62.300 -0.244 0.000 1.064 216 V CB -0.268 31.235 31.823 -0.533 0.000 0.675 216 V HN 0.063 nan 8.190 nan 0.000 0.461 217 V N -0.714 119.130 119.914 -0.116 0.000 2.302 217 V HA -0.181 3.939 4.120 -0.000 0.000 0.243 217 V C 2.602 178.733 176.094 0.060 0.000 1.036 217 V CA 1.484 63.775 62.300 -0.015 0.000 1.020 217 V CB -0.588 31.218 31.823 -0.029 0.000 0.657 217 V HN 0.460 nan 8.190 nan 0.000 0.453 218 Q N 0.349 120.156 119.800 0.013 0.000 2.062 218 Q HA -0.253 4.087 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 2.294 58.105 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 0.070 122.900 122.820 0.016 0.000 1.940 219 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 219 A C 1.974 179.592 177.584 0.056 0.000 1.176 219 A CA 1.344 53.392 52.037 0.018 0.000 0.631 219 A CB -0.858 18.146 19.000 0.007 0.000 0.814 219 A HN 0.386 nan 8.150 nan 0.000 0.446 220 F N 0.534 120.448 119.950 -0.060 0.000 2.206 220 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 220 F C 2.486 178.267 175.800 -0.032 0.000 1.090 220 F CA 0.983 58.953 58.000 -0.049 0.000 1.323 220 F CB -0.107 38.855 39.000 -0.064 0.000 1.028 220 F HN 0.263 nan 8.300 nan 0.000 0.492 221 A N 0.624 123.446 122.820 0.005 0.000 1.908 221 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 221 A C 2.170 179.674 177.584 -0.134 0.000 1.181 221 A CA 2.058 54.056 52.037 -0.064 0.000 0.627 221 A CB -0.552 18.458 19.000 0.017 0.000 0.818 221 A HN 0.477 nan 8.150 nan 0.000 0.445 222 K N -0.691 119.649 120.400 -0.100 0.000 2.005 222 K HA 0.105 4.425 4.320 -0.000 0.000 0.206 222 K C 1.888 178.404 176.600 -0.141 0.000 1.044 222 K CA 0.971 57.200 56.287 -0.097 0.000 0.942 222 K CB -0.377 32.088 32.500 -0.058 0.000 0.727 222 K HN 0.357 nan 8.250 nan 0.000 0.439 223 I N 1.954 122.435 120.570 -0.149 0.000 2.502 223 I HA -0.212 3.958 4.170 -0.000 0.000 0.258 223 I C 1.912 177.876 176.117 -0.256 0.000 1.172 223 I CA 1.255 62.461 61.300 -0.156 0.000 1.430 223 I CB -0.200 37.751 38.000 -0.081 0.000 1.086 223 I HN -0.015 nan 8.210 nan 0.000 0.440 224 V N 0.945 120.607 119.914 -0.420 0.000 2.649 224 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 224 V C 2.620 178.575 176.094 -0.232 0.000 1.054 224 V CA 1.990 64.020 62.300 -0.451 0.000 1.073 224 V CB -0.372 31.034 31.823 -0.694 0.000 0.699 224 V HN 0.682 nan 8.190 nan 0.000 0.463 225 T N -2.377 112.071 114.554 -0.176 0.000 2.833 225 T HA -0.187 4.163 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 1.869 63.903 62.100 -0.110 0.000 1.135 225 T CB -0.312 68.505 68.868 -0.085 0.000 0.869 225 T HN 0.646 nan 8.240 nan 0.000 0.466 226 E N -0.066 120.079 120.200 -0.092 0.000 2.498 226 E HA 0.346 4.695 4.350 -0.000 0.000 0.203 226 E C -0.541 176.021 176.600 -0.063 0.000 1.013 226 E CA -0.125 56.235 56.400 -0.067 0.000 0.927 226 E CB 1.189 30.854 29.700 -0.058 0.000 1.012 226 E HN 0.318 nan 8.360 nan 0.000 0.482 227 V N 2.379 122.243 119.914 -0.083 0.000 2.891 227 V HA 0.041 4.161 4.120 -0.000 0.000 0.304 227 V C -1.102 174.946 176.094 -0.076 0.000 1.171 227 V CA -1.180 61.081 62.300 -0.064 0.000 0.943 227 V CB 2.342 34.135 31.823 -0.050 0.000 1.037 227 V HN 0.137 nan 8.190 nan 0.000 0.427 228 D N 3.769 124.144 120.400 -0.042 0.000 2.339 228 D HA 0.644 5.284 4.640 -0.000 0.000 0.241 228 D C -0.336 175.969 176.300 0.009 0.000 1.183 228 D CA -0.008 53.976 54.000 -0.026 0.000 0.859 228 D CB 1.897 42.691 40.800 -0.008 0.000 1.067 228 D HN 0.825 nan 8.370 nan 0.000 0.484 229 A N 1.407 124.249 122.820 0.037 0.000 2.604 229 A HA 0.700 5.020 4.320 -0.000 0.000 0.295 229 A C -0.638 177.151 177.584 0.342 0.000 1.067 229 A CA -0.692 51.432 52.037 0.145 0.000 0.683 229 A CB 1.393 20.492 19.000 0.165 0.000 1.281 229 A HN 0.818 nan 8.150 nan 0.000 0.407 230 K N 0.135 120.709 120.400 0.290 0.000 2.156 230 K HA 0.828 5.148 4.320 -0.000 0.000 0.250 230 K C -0.993 175.577 176.600 -0.049 0.000 0.955 230 K CA -0.476 55.964 56.287 0.255 0.000 0.855 230 K CB 1.418 33.974 32.500 0.094 0.000 1.101 230 K HN 1.718 nan 8.250 nan 0.000 0.434 231 L N 1.863 122.756 121.223 -0.549 0.000 2.287 231 L HA 0.521 4.861 4.340 -0.000 0.000 0.287 231 L C -0.834 175.765 176.870 -0.453 0.000 1.022 231 L CA -0.844 53.494 54.840 -0.837 0.000 0.814 231 L CB 0.998 42.059 42.059 -1.663 0.000 1.217 231 L HN 0.661 nan 8.230 nan 0.000 0.420 232 L N 6.634 127.674 121.223 -0.305 0.000 2.261 232 L HA 0.342 4.682 4.340 -0.000 0.000 0.289 232 L C -0.480 176.279 176.870 -0.184 0.000 1.059 232 L CA -0.172 54.532 54.840 -0.227 0.000 0.816 232 L CB 0.674 42.616 42.059 -0.195 0.000 1.191 232 L HN 0.530 nan 8.230 nan 0.000 0.431 233 L N 5.391 126.497 121.223 -0.195 0.000 2.314 233 L HA 0.332 4.672 4.340 -0.000 0.000 0.275 233 L C -0.241 176.697 176.870 0.113 0.000 1.068 233 L CA -0.522 54.294 54.840 -0.040 0.000 0.894 233 L CB 1.177 43.126 42.059 -0.183 0.000 1.275 233 L HN 0.306 nan 8.230 nan 0.000 0.432 234 V N 2.670 122.635 119.914 0.085 0.000 2.583 234 V HA 0.793 4.913 4.120 -0.000 0.000 0.287 234 V C 0.758 176.971 176.094 0.199 0.000 1.051 234 V CA 0.097 62.444 62.300 0.079 0.000 1.010 234 V CB 1.037 32.852 31.823 -0.013 0.000 0.988 234 V HN 0.969 nan 8.190 nan 0.000 0.478 235 G N 3.785 112.668 108.800 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 -1.497 173.340 174.900 -0.104 0.000 1.288 235 G CA -0.226 44.961 45.100 0.146 0.000 0.899 235 G HN 0.960 nan 8.290 nan 0.000 0.608 236 D N -0.956 119.378 120.400 -0.110 0.000 2.837 236 D HA 0.797 5.436 4.640 -0.000 0.000 0.220 236 D C 0.292 176.560 176.300 -0.052 0.000 1.236 236 D CA 1.247 55.068 54.000 -0.299 0.000 0.838 236 D CB 1.503 42.096 40.800 -0.344 0.000 1.647 236 D HN 1.598 nan 8.370 nan 0.000 0.486 237 G N 1.699 110.515 108.800 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 -2.262 172.743 174.900 0.176 0.000 1.311 237 G CA -0.718 44.469 45.100 0.145 0.000 0.813 237 G HN 0.353 nan 8.290 nan 0.000 0.480 238 P HA -0.056 nan 4.420 nan 0.000 0.214 238 P C 1.173 178.588 177.300 0.193 0.000 1.163 238 P CA 1.097 64.277 63.100 0.134 0.000 0.889 238 P CB 0.265 32.024 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 1.359 178.173 176.600 0.357 0.000 1.129 239 E CA 0.087 56.633 56.400 0.244 0.000 0.902 239 E CB -0.869 28.946 29.700 0.192 0.000 0.963 239 E HN 0.339 nan 8.360 nan 0.000 0.503 240 F N 0.563 120.648 119.950 0.225 0.000 2.075 240 F HA -0.276 4.251 4.527 -0.000 0.000 0.297 240 F C 2.201 178.072 175.800 0.118 0.000 1.113 240 F CA 1.447 59.551 58.000 0.173 0.000 1.218 240 F CB -0.225 38.729 39.000 -0.076 0.000 0.984 240 F HN 0.074 nan 8.300 nan 0.000 0.472 241 C N -0.007 119.437 119.300 0.240 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 1.696 60.772 59.018 0.097 0.000 1.742 241 C CB -1.576 26.230 27.740 0.111 0.000 2.017 241 C HN 0.571 nan 8.230 nan 0.000 0.481 242 T N 1.639 116.227 114.554 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 1.312 63.437 62.100 0.040 0.000 1.148 242 T CB -0.227 68.676 68.868 0.058 0.000 0.863 242 T HN 0.307 nan 8.240 nan 0.000 0.436 243 I N 0.858 121.459 120.570 0.053 0.000 2.315 243 I HA -0.033 4.137 4.170 -0.000 0.000 0.248 243 I C 2.277 178.445 176.117 0.084 0.000 1.117 243 I CA 0.826 62.178 61.300 0.088 0.000 1.404 243 I CB -1.279 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 0.813 121.961 121.223 -0.126 0.000 2.056 244 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 244 L C 2.496 179.295 176.870 -0.120 0.000 1.078 244 L CA 1.778 56.433 54.840 -0.308 0.000 0.749 244 L CB -0.829 40.891 42.059 -0.564 0.000 0.901 244 L HN 0.168 nan 8.230 nan 0.000 0.433 245 Q N -0.848 118.910 119.800 -0.069 0.000 2.119 245 Q HA -0.184 4.156 4.340 -0.000 0.000 0.201 245 Q C 2.058 178.050 176.000 -0.012 0.000 0.972 245 Q CA 1.861 57.641 55.803 -0.037 0.000 0.847 245 Q CB -0.471 28.256 28.738 -0.018 0.000 0.903 245 Q HN 0.502 nan 8.270 nan 0.000 0.433 246 L N -0.372 120.860 121.223 0.014 0.000 1.988 246 L HA -0.107 4.232 4.340 -0.000 0.000 0.207 246 L C 2.280 179.178 176.870 0.047 0.000 1.071 246 L CA 1.955 56.813 54.840 0.030 0.000 0.744 246 L CB -0.897 41.184 42.059 0.037 0.000 0.893 246 L HN 0.298 nan 8.230 nan 0.000 0.433 247 V N -2.597 117.374 119.914 0.094 0.000 2.660 247 V HA -0.296 3.824 4.120 -0.000 0.000 0.257 247 V C 2.495 178.623 176.094 0.058 0.000 1.088 247 V CA 2.115 64.489 62.300 0.124 0.000 1.106 247 V CB -1.161 30.816 31.823 0.256 0.000 0.686 247 V HN 0.522 nan 8.190 nan 0.000 0.481 248 K N 2.301 122.703 120.400 0.003 0.000 1.984 248 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 248 K C 1.537 178.037 176.600 -0.166 0.000 1.046 248 K CA 1.790 58.034 56.287 -0.072 0.000 0.934 248 K CB -0.216 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 0.313 118.947 118.700 -0.110 0.000 2.346 249 N HA 0.014 4.754 4.740 -0.000 0.000 0.225 249 N C 0.253 175.754 175.510 -0.016 0.000 1.144 249 N CA 0.166 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 0.074 nan 8.380 nan 0.000 0.487 250 L N -1.044 120.171 121.223 -0.013 0.000 2.966 250 L HA 0.282 4.622 4.340 -0.000 0.000 0.262 250 L C -0.351 176.653 176.870 0.225 0.000 1.165 250 L CA -0.207 54.718 54.840 0.142 0.000 0.978 250 L CB -0.555 41.561 42.059 0.095 0.000 1.337 250 L HN 0.230 nan 8.230 nan 0.000 0.563 251 H N -1.523 117.572 119.070 0.041 0.000 2.776 251 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 251 H C 0.885 176.244 175.328 0.053 0.000 1.161 251 H CA 1.292 57.363 56.048 0.039 0.000 1.147 251 H CB -1.967 27.808 29.762 0.023 0.000 1.366 251 H HN 0.357 nan 8.280 nan 0.000 0.397 252 I N -1.466 119.183 120.570 0.131 0.000 4.154 252 I HA 0.033 4.203 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 0.157 0.000 1.110 252 I CB 0.197 38.318 38.000 0.203 0.000 1.085 252 I HN 0.163 nan 8.210 nan 0.000 0.398 253 E N 2.764 123.030 120.200 0.110 0.000 2.136 253 E HA -0.275 4.075 4.350 -0.000 0.000 0.202 253 E C 0.719 177.395 176.600 0.127 0.000 1.019 253 E CA 2.214 58.679 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 0.681 nan 8.360 nan 0.000 0.458 254 D N -1.357 119.110 120.400 0.112 0.000 2.370 254 D HA 0.017 4.657 4.640 -0.000 0.000 0.230 254 D C 0.891 177.266 176.300 0.125 0.000 1.143 254 D CA 0.024 54.088 54.000 0.107 0.000 0.834 254 D CB -0.147 40.705 40.800 0.087 0.000 0.944 254 D HN 0.016 nan 8.370 nan 0.000 0.504 255 R N -0.392 120.202 120.500 0.156 0.000 2.566 255 R HA 0.300 4.640 4.340 -0.000 0.000 0.388 255 R C -0.922 175.460 176.300 0.136 0.000 0.989 255 R CA -0.157 56.058 56.100 0.191 0.000 1.164 255 R CB 1.681 32.154 30.300 0.290 0.000 1.459 255 R HN 0.021 nan 8.270 nan 0.000 0.553 256 V N 1.636 121.594 119.914 0.073 0.000 2.638 256 V HA 0.315 4.435 4.120 -0.000 0.000 0.306 256 V C -1.008 175.083 176.094 -0.006 0.000 1.052 256 V CA -0.720 61.522 62.300 -0.097 0.000 0.885 256 V CB 2.445 34.215 31.823 -0.090 0.000 0.999 256 V HN 0.041 nan 8.190 nan 0.000 0.424 257 L N 5.700 126.863 121.223 -0.100 0.000 2.603 257 L HA 0.488 4.828 4.340 -0.000 0.000 0.242 257 L C -0.193 176.726 176.870 0.082 0.000 1.169 257 L CA 0.045 54.914 54.840 0.049 0.000 1.029 257 L CB -0.187 41.879 42.059 0.011 0.000 1.361 257 L HN 0.425 nan 8.230 nan 0.000 0.439 258 F N 1.748 121.732 119.950 0.057 0.000 2.593 258 F HA -0.100 4.427 4.527 0.000 0.000 0.393 258 F C 1.203 177.064 175.800 0.101 0.000 1.037 258 F CA 0.142 58.205 58.000 0.105 0.000 1.195 258 F CB 0.362 39.455 39.000 0.155 0.000 1.034 258 F HN 0.239 nan 8.300 nan 0.000 0.552 259 L N 3.320 124.662 121.223 0.198 0.000 2.693 259 L HA 0.338 4.678 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 0.521 55.447 54.840 0.143 0.000 0.914 259 L CB -0.563 41.537 42.059 0.069 0.000 1.193 259 L HN 0.894 nan 8.230 nan 0.000 0.502 260 G N 0.921 109.797 108.800 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 -0.069 174.823 174.900 -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 -0.062 0.000 2.349 261 K HA 0.548 4.868 4.320 -0.000 0.000 0.289 261 K C 0.195 176.782 176.600 -0.020 0.000 1.064 261 K CA -0.355 55.913 56.287 -0.031 0.000 0.947 261 K CB 1.095 33.566 32.500 -0.047 0.000 1.007 261 K HN 0.497 nan 8.250 nan 0.000 0.478 262 Q N 2.588 122.385 119.800 -0.006 0.000 2.195 262 Q HA 0.149 4.489 4.340 -0.000 0.000 0.250 262 Q C -0.424 175.568 176.000 -0.013 0.000 0.988 262 Q CA -0.473 55.326 55.803 -0.006 0.000 0.911 262 Q CB 1.813 30.553 28.738 0.002 0.000 1.258 262 Q HN 0.831 nan 8.270 nan 0.000 0.475 263 D N -0.545 119.845 120.400 -0.016 0.000 2.766 263 D HA 0.030 4.670 4.640 -0.000 0.000 0.284 263 D C -0.430 175.858 176.300 -0.020 0.000 1.050 263 D CA 0.230 54.219 54.000 -0.018 0.000 0.945 263 D CB 0.465 41.251 40.800 -0.023 0.000 1.272 263 D HN 0.348 nan 8.370 nan 0.000 0.482 264 N N 0.571 119.252 118.700 -0.031 0.000 3.245 264 N HA 0.059 4.799 4.740 -0.000 0.000 0.296 264 N C 0.463 175.930 175.510 -0.071 0.000 1.254 264 N CA 0.008 53.023 53.050 -0.059 0.000 1.190 264 N CB 1.213 39.666 38.487 -0.058 0.000 1.460 264 N HN -0.049 nan 8.380 nan 0.000 0.538 265 V N 0.530 120.410 119.914 -0.056 0.000 3.510 265 V HA 0.001 4.121 4.120 -0.000 0.000 0.270 265 V C 1.854 177.888 176.094 -0.099 0.000 1.201 265 V CA 0.988 63.258 62.300 -0.051 0.000 1.166 265 V CB -0.654 31.162 31.823 -0.011 0.000 0.825 265 V HN 0.581 nan 8.190 nan 0.000 0.484 266 A N 0.164 122.844 122.820 -0.233 0.000 1.908 266 A HA -0.233 4.087 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 2.065 53.836 52.037 -0.443 0.000 0.627 266 A CB -0.368 18.151 19.000 -0.801 0.000 0.818 266 A HN 0.691 nan 8.150 nan 0.000 0.445 267 E N -0.146 119.929 120.200 -0.208 0.000 2.107 267 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 267 E C 2.007 178.552 176.600 -0.091 0.000 0.982 267 E CA 0.984 57.303 56.400 -0.136 0.000 0.809 267 E CB -0.325 29.330 29.700 -0.074 0.000 0.756 267 E HN 0.662 nan 8.360 nan 0.000 0.459 268 L N 0.766 121.936 121.223 -0.089 0.000 2.027 268 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 268 L C 2.598 179.418 176.870 -0.083 0.000 1.074 268 L CA 0.903 55.682 54.840 -0.102 0.000 0.745 268 L CB -0.455 41.535 42.059 -0.115 0.000 0.898 268 L HN 0.116 nan 8.230 nan 0.000 0.433 269 L N -0.278 120.908 121.223 -0.062 0.000 2.046 269 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 269 L C 2.935 179.790 176.870 -0.025 0.000 1.077 269 L CA 1.089 55.912 54.840 -0.028 0.000 0.747 269 L CB -0.791 41.280 42.059 0.019 0.000 0.896 269 L HN 0.256 nan 8.230 nan 0.000 0.432 270 A N 1.121 123.909 122.820 -0.053 0.000 1.892 270 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 270 A C 2.063 179.641 177.584 -0.010 0.000 1.188 270 A CA 2.278 54.290 52.037 -0.043 0.000 0.631 270 A CB -0.657 18.289 19.000 -0.090 0.000 0.822 270 A HN 0.604 nan 8.150 nan 0.000 0.447 271 M N -1.230 118.357 119.600 -0.021 0.000 2.652 271 M HA 0.368 4.848 4.480 -0.000 0.000 0.226 271 M C -0.189 176.104 176.300 -0.011 0.000 1.244 271 M CA 0.077 55.373 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 0.072 115.772 115.700 0.001 0.000 2.704 272 S HA 0.440 4.910 4.470 -0.000 0.000 0.305 272 S C 0.080 174.717 174.600 0.063 0.000 1.107 272 S CA -0.835 57.372 58.200 0.012 0.000 0.993 272 S CB 1.824 65.022 63.200 -0.003 0.000 1.110 272 S HN 0.418 nan 8.310 nan 0.000 0.534 273 D N -0.310 120.144 120.400 0.090 0.000 2.531 273 D HA 0.233 4.873 4.640 -0.000 0.000 0.263 273 D C -0.518 175.923 176.300 0.236 0.000 1.057 273 D CA 0.290 54.410 54.000 0.200 0.000 0.909 273 D CB 0.564 41.451 40.800 0.145 0.000 1.236 273 D HN 0.175 nan 8.370 nan 0.000 0.494 274 L N 0.984 122.288 121.223 0.135 0.000 2.455 274 L HA 0.434 4.774 4.340 -0.000 0.000 0.264 274 L C -1.527 175.374 176.870 0.052 0.000 0.968 274 L CA -0.349 54.552 54.840 0.101 0.000 0.827 274 L CB 2.537 44.672 42.059 0.127 0.000 1.317 274 L HN -0.232 nan 8.230 nan 0.000 0.407 275 M N 5.134 124.753 119.600 0.031 0.000 2.336 275 M HA 0.520 5.000 4.480 -0.000 0.000 0.342 275 M C -1.565 174.752 176.300 0.028 0.000 1.128 275 M CA -0.605 54.706 55.300 0.017 0.000 1.016 275 M CB 1.530 34.126 32.600 -0.007 0.000 1.665 275 M HN 0.561 nan 8.290 nan 0.000 0.445 276 L N 4.680 125.932 121.223 0.048 0.000 2.346 276 L HA 0.620 4.960 4.340 -0.000 0.000 0.276 276 L C -1.266 175.668 176.870 0.107 0.000 1.006 276 L CA -0.933 53.933 54.840 0.043 0.000 0.817 276 L CB 2.166 44.221 42.059 -0.007 0.000 1.272 276 L HN 0.535 nan 8.230 nan 0.000 0.421 277 L N 5.153 126.405 121.223 0.048 0.000 2.617 277 L HA 0.386 4.726 4.340 -0.000 0.000 0.259 277 L C -0.955 175.920 176.870 0.009 0.000 0.995 277 L CA 0.170 55.048 54.840 0.063 0.000 0.899 277 L CB 1.264 43.341 42.059 0.030 0.000 1.181 277 L HN 0.471 nan 8.230 nan 0.000 0.437 278 L N 3.154 124.362 121.223 -0.025 0.000 3.096 278 L HA 0.428 4.768 4.340 -0.000 0.000 0.272 278 L C 0.452 177.306 176.870 -0.027 0.000 1.311 278 L CA -0.351 54.468 54.840 -0.034 0.000 0.943 278 L CB 0.368 42.389 42.059 -0.065 0.000 1.348 278 L HN 0.536 nan 8.230 nan 0.000 0.562 279 S N -1.727 113.973 115.700 -0.001 0.000 2.617 279 S HA 0.255 4.725 4.470 -0.000 0.000 0.269 279 S C 0.896 175.505 174.600 0.015 0.000 1.292 279 S CA -0.758 57.446 58.200 0.007 0.000 1.010 279 S CB 1.595 64.811 63.200 0.026 0.000 0.944 279 S HN 0.366 nan 8.310 nan 0.000 0.536 280 E N 0.833 121.043 120.200 0.016 0.000 2.268 280 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 280 E C -0.031 176.589 176.600 0.033 0.000 0.995 280 E CA 0.765 57.178 56.400 0.022 0.000 0.836 280 E CB 0.004 29.717 29.700 0.021 0.000 0.763 280 E HN 0.508 nan 8.360 nan 0.000 0.491 281 K N 0.226 120.651 120.400 0.041 0.000 2.568 281 K HA 0.450 4.770 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 0.053 0.000 0.854 281 K CB 2.565 35.097 32.500 0.053 0.000 1.424 281 K HN -0.120 nan 8.250 nan 0.000 0.427 282 E N -0.335 119.913 120.200 0.080 0.000 2.401 282 E HA 0.216 4.566 4.350 -0.000 0.000 0.283 282 E C -1.127 175.551 176.600 0.130 0.000 1.053 282 E CA -0.269 56.190 56.400 0.099 0.000 0.842 282 E CB 1.321 31.070 29.700 0.081 0.000 1.222 282 E HN 0.408 nan 8.360 nan 0.000 0.429 283 S N 2.815 118.614 115.700 0.165 0.000 2.502 283 S HA 0.307 4.777 4.470 -0.000 0.000 0.215 283 S C 0.691 175.488 174.600 0.329 0.000 1.009 283 S CA 0.023 58.334 58.200 0.184 0.000 0.908 283 S CB 0.183 63.465 63.200 0.137 0.000 0.801 283 S HN 0.505 nan 8.310 nan 0.000 0.505 284 F N 0.679 120.666 119.950 0.062 0.000 2.083 284 F HA 0.446 4.973 4.527 -0.000 0.000 0.259 284 F C 0.738 176.529 175.800 -0.014 0.000 0.953 284 F CA -0.204 57.822 58.000 0.044 0.000 1.156 284 F CB 0.394 39.426 39.000 0.054 0.000 1.297 284 F HN 0.253 nan 8.300 nan 0.000 0.733 285 G N 0.222 108.846 108.800 -0.294 0.000 2.533 285 G HA2 0.450 4.410 3.960 -0.000 0.000 0.304 285 G HA3 0.450 4.410 3.960 -0.000 0.000 0.304 285 G C -0.316 174.357 174.900 -0.379 0.000 1.263 285 G CA -0.562 44.491 45.100 -0.079 0.000 0.964 285 G HN 0.108 nan 8.290 nan 0.000 0.479 286 L N 1.602 122.673 121.223 -0.254 0.000 2.131 286 L HA -0.045 4.295 4.340 -0.000 0.000 0.210 286 L C 3.084 179.774 176.870 -0.299 0.000 1.092 286 L CA 1.444 56.076 54.840 -0.347 0.000 0.759 286 L CB -1.047 40.877 42.059 -0.225 0.000 0.903 286 L HN 0.532 nan 8.230 nan 0.000 0.435 287 V N -1.300 118.494 119.914 -0.200 0.000 2.660 287 V HA -0.272 3.848 4.120 -0.000 0.000 0.257 287 V C 2.223 178.196 176.094 -0.202 0.000 1.088 287 V CA 1.637 63.834 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 -1.167 119.903 121.223 -0.255 0.000 2.046 288 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 288 L C 2.606 179.318 176.870 -0.264 0.000 1.077 288 L CA 1.703 56.399 54.840 -0.241 0.000 0.747 288 L CB -0.519 41.369 42.059 -0.286 0.000 0.896 288 L HN 0.355 nan 8.230 nan 0.000 0.432 289 L N -0.164 120.832 121.223 -0.379 0.000 1.994 289 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 289 L C 2.510 179.208 176.870 -0.287 0.000 1.071 289 L CA 1.733 56.364 54.840 -0.348 0.000 0.745 289 L CB -0.669 41.135 42.059 -0.425 0.000 0.892 289 L HN 0.218 nan 8.230 nan 0.000 0.431 290 E N -0.594 119.386 120.200 -0.368 0.000 2.048 290 E HA -0.346 4.004 4.350 -0.000 0.000 0.202 290 E C 2.190 178.714 176.600 -0.126 0.000 1.021 290 E CA 1.442 57.566 56.400 -0.461 0.000 0.825 290 E CB -0.479 28.993 29.700 -0.380 0.000 0.756 290 E HN 0.552 nan 8.360 nan 0.000 0.454 291 A N 1.499 124.267 122.820 -0.086 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 2.180 54.200 52.037 -0.029 0.000 0.629 291 A CB -0.711 18.258 19.000 -0.052 0.000 0.830 291 A HN 0.162 nan 8.150 nan 0.000 0.446 292 M N -0.830 118.740 119.600 -0.051 0.000 2.065 292 M HA -0.197 4.283 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 1.609 56.895 55.300 -0.024 0.000 1.109 292 M CB -0.624 31.956 32.600 -0.034 0.000 1.313 292 M HN 0.499 nan 8.290 nan 0.000 0.408 293 A N -0.695 122.131 122.820 0.011 0.000 2.067 293 A HA -0.244 4.076 4.320 -0.000 0.000 0.224 293 A C 1.928 179.584 177.584 0.119 0.000 1.172 293 A CA 1.842 53.924 52.037 0.074 0.000 0.662 293 A CB -1.257 17.767 19.000 0.041 0.000 0.814 293 A HN 0.683 nan 8.150 nan 0.000 0.468 294 C N -1.107 118.253 119.300 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 0.025 59.104 59.018 0.102 0.000 1.713 294 C CB -1.369 26.419 27.740 0.081 0.000 1.890 294 C HN 1.171 nan 8.230 nan 0.000 0.602 295 G N 0.870 109.708 108.800 0.064 0.000 2.143 295 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.248 295 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.248 295 G C -0.014 174.898 174.900 0.019 0.000 0.991 295 G CA 0.419 45.546 45.100 0.045 0.000 0.689 295 G HN 0.452 nan 8.290 nan 0.000 0.522 296 V N 2.755 122.676 119.914 0.011 0.000 2.333 296 V HA 0.434 4.554 4.120 -0.000 0.000 0.274 296 V C -1.171 174.895 176.094 -0.047 0.000 1.028 296 V CA -1.594 60.702 62.300 -0.006 0.000 0.851 296 V CB 1.496 33.328 31.823 0.015 0.000 1.000 296 V HN 0.253 nan 8.190 nan 0.000 0.456 297 P HA 0.182 nan 4.420 nan 0.000 0.269 297 P C -0.644 176.625 177.300 -0.052 0.000 1.209 297 P CA -0.101 62.932 63.100 -0.112 0.000 0.776 297 P CB 0.929 32.510 31.700 -0.197 0.000 0.876 298 C N 2.958 122.227 119.300 -0.051 0.000 2.614 298 C HA 0.595 5.055 4.460 -0.000 0.000 0.320 298 C C 0.568 175.561 174.990 0.005 0.000 1.200 298 C CA -0.538 58.467 59.018 -0.022 0.000 1.700 298 C CB 0.977 28.689 27.740 -0.046 0.000 2.275 298 C HN 0.466 nan 8.230 nan 0.000 0.492 299 I N 2.361 122.947 120.570 0.026 0.000 2.537 299 I HA 0.446 4.616 4.170 -0.000 0.000 0.276 299 I C 0.508 176.630 176.117 0.009 0.000 1.063 299 I CA 0.334 61.659 61.300 0.041 0.000 1.144 299 I CB 0.728 38.762 38.000 0.056 0.000 1.252 299 I HN 0.857 nan 8.210 nan 0.000 0.480 300 G N 2.940 111.736 108.800 -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 0.004 174.905 174.900 0.001 0.000 1.170 300 G CA -0.427 44.670 45.100 -0.005 0.000 0.943 300 G HN 0.447 nan 8.290 nan 0.000 0.483 301 T N -1.232 113.325 114.554 0.006 0.000 2.932 301 T HA 0.134 4.484 4.350 -0.000 0.000 0.312 301 T C 0.739 175.455 174.700 0.027 0.000 1.071 301 T CA -0.414 61.694 62.100 0.014 0.000 1.128 301 T CB 1.049 69.924 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 -1.248 175.082 176.300 0.051 0.000 1.568 302 R CA -0.256 55.874 56.100 0.050 0.000 1.322 302 R CB -0.698 29.637 30.300 0.060 0.000 1.280 302 R HN 0.551 nan 8.270 nan 0.000 0.667 303 V N 2.280 122.226 119.914 0.054 0.000 2.588 303 V HA 0.339 4.459 4.120 -0.000 0.000 0.304 303 V C 0.706 176.846 176.094 0.076 0.000 1.042 303 V CA -1.059 61.276 62.300 0.058 0.000 0.877 303 V CB 1.853 33.706 31.823 0.051 0.000 0.996 303 V HN 0.778 nan 8.190 nan 0.000 0.425 304 G N 2.738 111.586 108.800 0.080 0.000 2.641 304 G HA2 0.292 4.252 3.960 -0.000 0.000 0.293 304 G HA3 0.292 4.252 3.960 -0.000 0.000 0.293 304 G C 1.185 176.162 174.900 0.129 0.000 0.541 304 G CA 1.124 46.282 45.100 0.098 0.000 1.196 304 G HN 1.995 nan 8.290 nan 0.000 0.237 305 G N 1.684 110.582 108.800 0.164 0.000 2.284 305 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.201 305 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.201 305 G C 1.121 176.157 174.900 0.226 0.000 0.998 305 G CA 0.299 45.538 45.100 0.233 0.000 0.651 305 G HN 0.511 nan 8.290 nan 0.000 0.489 306 I N 1.447 122.098 120.570 0.135 0.000 2.429 306 I HA 0.058 4.227 4.170 -0.000 0.000 0.247 306 I C -0.248 175.919 176.117 0.083 0.000 1.099 306 I CA 1.004 62.348 61.300 0.073 0.000 1.422 306 I CB -1.658 36.367 38.000 0.042 0.000 1.112 306 I HN 0.008 nan 8.210 nan 0.000 0.430 307 P HA -0.156 nan 4.420 nan 0.000 0.222 307 P C 1.023 178.395 177.300 0.121 0.000 1.142 307 P CA 1.314 64.472 63.100 0.097 0.000 0.788 307 P CB -0.071 31.687 31.700 0.096 0.000 0.767 308 E N -1.199 119.109 120.200 0.179 0.000 2.478 308 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 308 E C 1.489 178.215 176.600 0.210 0.000 1.045 308 E CA 0.600 57.133 56.400 0.222 0.000 0.868 308 E CB -0.003 29.924 29.700 0.378 0.000 0.885 308 E HN 0.281 nan 8.360 nan 0.000 0.505 309 V N -2.388 117.624 119.914 0.164 0.000 3.359 309 V HA 0.266 4.386 4.120 -0.000 0.000 0.245 309 V C 0.860 177.002 176.094 0.080 0.000 1.247 309 V CA -0.106 62.288 62.300 0.157 0.000 1.145 309 V CB 0.275 32.042 31.823 -0.093 0.000 0.906 309 V HN -0.023 nan 8.190 nan 0.000 0.464 310 I N 3.509 124.097 120.570 0.031 0.000 2.312 310 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 310 I C -0.390 175.734 176.117 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 39.525 38.000 -0.038 0.000 1.371 310 I HN 0.481 nan 8.210 nan 0.000 0.468 311 Q N 6.170 125.970 119.800 -0.001 0.000 2.400 311 Q HA 0.298 4.638 4.340 -0.000 0.000 0.255 311 Q C -0.253 175.760 176.000 0.022 0.000 1.008 311 Q CA -0.729 55.088 55.803 0.023 0.000 0.841 311 Q CB 1.067 29.813 28.738 0.013 0.000 1.220 311 Q HN 0.627 nan 8.270 nan 0.000 0.474 312 H N 2.388 121.422 119.070 -0.060 0.000 3.192 312 H HA 0.016 4.572 4.556 -0.000 0.000 0.295 312 H C 1.285 176.523 175.328 -0.149 0.000 0.943 312 H CA 1.600 57.597 56.048 -0.086 0.000 1.416 312 H CB 0.176 29.948 29.762 0.016 0.000 1.434 312 H HN 1.071 nan 8.280 nan 0.000 0.565 313 G N 3.884 112.664 108.800 -0.035 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 0.642 45.718 45.100 -0.040 0.000 0.621 313 G HN 0.656 nan 8.290 nan 0.000 0.524 314 D N -0.104 120.233 120.400 -0.104 0.000 2.490 314 D HA 0.128 4.768 4.640 -0.000 0.000 0.244 314 D C 2.418 178.648 176.300 -0.118 0.000 0.979 314 D CA 2.276 56.228 54.000 -0.080 0.000 0.924 314 D CB 0.031 40.808 40.800 -0.039 0.000 1.075 314 D HN 0.624 nan 8.370 nan 0.000 0.488 315 T N -2.992 111.477 114.554 -0.142 0.000 3.111 315 T HA 0.610 4.960 4.350 -0.000 0.000 0.284 315 T C 0.690 175.272 174.700 -0.196 0.000 0.983 315 T CA 0.153 62.175 62.100 -0.131 0.000 0.900 315 T CB 1.280 70.112 68.868 -0.060 0.000 1.132 315 T HN 0.215 nan 8.240 nan 0.000 0.531 316 G N 0.055 108.646 108.800 -0.348 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 -0.703 0.000 1.286 316 G CA -1.001 43.850 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 -0.239 0.000 2.553 317 Y HA 0.784 5.334 4.550 -0.000 0.000 0.347 317 Y C 0.404 176.076 175.900 -0.380 0.000 1.019 317 Y CA -0.930 56.840 58.100 -0.550 0.000 1.032 317 Y CB 2.288 40.473 38.460 -0.458 0.000 1.284 317 Y HN 0.499 nan 8.280 nan 0.000 0.466 318 L N 1.818 122.880 121.223 -0.269 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 2.219 44.299 42.059 0.035 0.000 1.373 318 L HN 0.922 nan 8.230 nan 0.000 0.450 319 C N -2.021 117.300 119.300 0.035 0.000 3.068 319 C HA 0.355 4.815 4.460 -0.000 0.000 0.344 319 C C -0.751 174.258 174.990 0.032 0.000 1.223 319 C CA -1.184 57.860 59.018 0.042 0.000 1.153 319 C CB 0.822 28.574 27.740 0.020 0.000 1.396 319 C HN 0.765 nan 8.230 nan 0.000 0.485 320 E N 1.074 121.293 120.200 0.031 0.000 2.418 320 E HA 0.390 4.740 4.350 -0.000 0.000 0.261 320 E C 0.652 177.260 176.600 0.013 0.000 1.070 320 E CA -0.038 56.376 56.400 0.024 0.000 0.931 320 E CB 0.611 30.325 29.700 0.023 0.000 0.954 320 E HN 1.417 nan 8.360 nan 0.000 0.439 321 V N 0.144 120.066 119.914 0.012 0.000 2.715 321 V HA 0.512 4.632 4.120 -0.000 0.000 0.299 321 V C 1.278 177.372 176.094 -0.000 0.000 1.054 321 V CA 0.297 62.599 62.300 0.004 0.000 1.077 321 V CB 0.513 32.340 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 0.383 175.277 174.900 -0.010 0.000 0.982 322 G CA 0.312 45.406 45.100 -0.010 0.000 0.632 322 G HN 0.993 nan 8.290 nan 0.000 0.529 323 D N 2.091 122.486 120.400 -0.008 0.000 2.885 323 D HA 0.225 4.865 4.640 -0.000 0.000 0.234 323 D C 2.252 178.543 176.300 -0.014 0.000 1.129 323 D CA 0.924 54.919 54.000 -0.008 0.000 0.991 323 D CB -0.331 40.468 40.800 -0.002 0.000 1.137 323 D HN 0.511 nan 8.370 nan 0.000 0.459 324 T N -2.191 112.353 114.554 -0.017 0.000 2.665 324 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 324 T C 1.956 176.644 174.700 -0.020 0.000 1.035 324 T CA 2.256 64.344 62.100 -0.020 0.000 1.151 324 T CB -0.729 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 0.196 114.739 114.554 -0.019 0.000 2.652 325 T HA 0.027 4.377 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 1.391 63.478 62.100 -0.022 0.000 1.153 325 T CB -1.553 67.304 68.868 -0.018 0.000 0.863 325 T HN 0.536 nan 8.240 nan 0.000 0.428 326 G N 1.068 109.855 108.800 -0.022 0.000 2.442 326 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 326 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 326 G C 1.674 176.549 174.900 -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 1.515 121.409 119.914 -0.034 0.000 2.307 327 V HA -0.116 4.004 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 1.977 64.254 62.300 -0.040 0.000 1.024 327 V CB -1.034 30.774 31.823 -0.026 0.000 0.651 327 V HN 0.476 nan 8.190 nan 0.000 0.449 328 A N 0.276 123.074 122.820 -0.036 0.000 1.883 328 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 328 A C 2.007 179.559 177.584 -0.054 0.000 1.186 328 A CA 2.187 54.201 52.037 -0.038 0.000 0.624 328 A CB -0.747 18.228 19.000 -0.040 0.000 0.822 328 A HN 0.571 nan 8.150 nan 0.000 0.444 329 D N -0.919 119.446 120.400 -0.059 0.000 2.104 329 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 329 D C 2.058 178.297 176.300 -0.101 0.000 0.994 329 D CA 1.900 55.860 54.000 -0.067 0.000 0.830 329 D CB -0.489 40.276 40.800 -0.057 0.000 0.959 329 D HN 0.563 nan 8.370 nan 0.000 0.452 330 Q N 0.824 120.541 119.800 -0.140 0.000 2.170 330 Q HA -0.071 4.269 4.340 -0.000 0.000 0.203 330 Q C 1.821 177.680 176.000 -0.234 0.000 0.976 330 Q CA 1.778 57.420 55.803 -0.268 0.000 0.858 330 Q CB -0.313 28.228 28.738 -0.328 0.000 0.907 330 Q HN 0.228 nan 8.270 nan 0.000 0.433 331 A N 0.329 123.081 122.820 -0.114 0.000 1.840 331 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 331 A C 2.001 179.574 177.584 -0.018 0.000 1.198 331 A CA 1.509 53.523 52.037 -0.037 0.000 0.608 331 A CB -1.000 18.001 19.000 0.001 0.000 0.839 331 A HN 0.570 nan 8.150 nan 0.000 0.443 332 I N -1.411 119.139 120.570 -0.034 0.000 2.185 332 I HA -0.331 3.839 4.170 -0.000 0.000 0.246 332 I C 2.243 178.347 176.117 -0.021 0.000 1.088 332 I CA 2.476 63.759 61.300 -0.029 0.000 1.347 332 I CB -0.937 37.037 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 2.287 178.293 176.000 0.010 0.000 0.982 333 Q CA 2.339 58.124 55.803 -0.029 0.000 0.838 333 Q CB -0.527 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 0.666 121.901 121.223 0.020 0.000 2.201 334 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 334 L C 2.213 179.187 176.870 0.172 0.000 1.105 334 L CA 1.173 56.088 54.840 0.125 0.000 0.775 334 L CB -0.423 41.746 42.059 0.183 0.000 0.913 334 L HN 0.225 nan 8.230 nan 0.000 0.440 335 L N -0.554 120.732 121.223 0.106 0.000 2.156 335 L HA -0.166 4.173 4.340 -0.000 0.000 0.208 335 L C 2.514 179.388 176.870 0.006 0.000 1.095 335 L CA 1.455 56.336 54.840 0.067 0.000 0.770 335 L CB -0.527 41.555 42.059 0.039 0.000 0.914 335 L HN 0.390 nan 8.230 nan 0.000 0.439 336 K N -1.176 119.233 120.400 0.015 0.000 2.078 336 K HA -0.023 4.297 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 -0.466 32.034 32.500 0.000 0.000 0.761 336 K HN -0.010 nan 8.250 nan 0.000 0.448 337 D N 2.669 123.094 120.400 0.041 0.000 2.451 337 D HA -0.090 4.550 4.640 -0.000 0.000 0.254 337 D C 0.274 176.619 176.300 0.076 0.000 1.204 337 D CA 0.495 54.528 54.000 0.056 0.000 0.896 337 D CB 0.986 41.829 40.800 0.070 0.000 1.136 337 D HN 0.365 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 -0.063 4.287 4.350 -0.000 0.000 0.197 338 E C 0.893 177.546 176.600 0.089 0.000 1.022 338 E CA -0.055 56.377 56.400 0.053 0.000 0.890 338 E CB 0.435 30.141 29.700 0.009 0.000 0.918 338 E HN 0.404 nan 8.360 nan 0.000 0.496 339 E N 0.837 121.083 120.200 0.077 0.000 2.016 339 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 339 E C 2.137 178.791 176.600 0.091 0.000 0.985 339 E CA 0.582 57.025 56.400 0.071 0.000 0.802 339 E CB -0.370 29.362 29.700 0.053 0.000 0.762 339 E HN 0.248 nan 8.360 nan 0.000 0.448 340 L N 1.537 122.821 121.223 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 1.930 56.836 54.840 0.110 0.000 0.752 340 L CB -0.728 41.411 42.059 0.134 0.000 0.891 340 L HN 0.259 nan 8.230 nan 0.000 0.432 341 H N -0.532 118.576 119.070 0.064 0.000 2.423 341 H HA -0.051 4.505 4.556 -0.000 0.000 0.297 341 H C 2.087 177.441 175.328 0.043 0.000 1.075 341 H CA 1.200 57.284 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 0.475 121.098 120.500 0.205 0.000 2.119 342 R HA -0.040 4.300 4.340 -0.000 0.000 0.222 342 R C 1.833 178.169 176.300 0.061 0.000 1.088 342 R CA 0.484 56.667 56.100 0.139 0.000 0.984 342 R CB -0.206 30.156 30.300 0.104 0.000 0.884 342 R HN 0.430 nan 8.270 nan 0.000 0.447 343 N N 0.830 119.557 118.700 0.046 0.000 2.109 343 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 343 N C 1.779 177.281 175.510 -0.013 0.000 1.034 343 N CA 1.083 54.144 53.050 0.019 0.000 0.846 343 N CB -0.318 38.184 38.487 0.025 0.000 1.010 343 N HN 0.112 nan 8.380 nan 0.000 0.425 344 M N 0.711 120.289 119.600 -0.038 0.000 2.065 344 M HA -0.098 4.382 4.480 -0.000 0.000 0.259 344 M C 1.926 178.168 176.300 -0.097 0.000 1.069 344 M CA 2.110 57.356 55.300 -0.090 0.000 1.110 344 M CB -0.620 31.902 32.600 -0.131 0.000 1.328 344 M HN 0.201 nan 8.290 nan 0.000 0.405 345 G N -0.873 107.851 108.800 -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 1.290 176.176 174.900 -0.023 0.000 1.115 345 G CA 1.419 46.463 45.100 -0.093 0.000 0.751 345 G HN 0.492 nan 8.290 nan 0.000 0.567 346 E N 0.270 120.464 120.200 -0.009 0.000 2.060 346 E HA 0.062 4.412 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 0.251 56.657 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 0.595 121.090 120.500 -0.008 0.000 2.094 347 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 347 R C 2.171 178.470 176.300 -0.002 0.000 1.137 347 R CA 1.468 57.562 56.100 -0.010 0.000 0.943 347 R CB -1.241 29.042 30.300 -0.029 0.000 0.850 347 R HN 0.290 nan 8.270 nan 0.000 0.433 348 A N 2.092 124.902 122.820 -0.016 0.000 1.849 348 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 348 A C 2.059 179.666 177.584 0.038 0.000 1.202 348 A CA 2.186 54.221 52.037 -0.004 0.000 0.629 348 A CB -0.666 18.314 19.000 -0.033 0.000 0.834 348 A HN 0.523 nan 8.150 nan 0.000 0.447 349 R N -0.202 120.325 120.500 0.044 0.000 2.377 349 R HA -0.044 4.296 4.340 -0.000 0.000 0.207 349 R C 1.325 177.694 176.300 0.114 0.000 1.075 349 R CA 1.474 57.625 56.100 0.085 0.000 1.035 349 R CB -0.326 30.024 30.300 0.084 0.000 0.857 349 R HN 0.680 nan 8.270 nan 0.000 0.475 350 E N 1.223 121.475 120.200 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 1.042 57.503 56.400 0.101 0.000 0.823 350 E CB 0.132 29.862 29.700 0.049 0.000 0.789 350 E HN 0.453 nan 8.360 nan 0.000 0.459 351 S N 0.743 116.485 115.700 0.070 0.000 2.465 351 S HA -0.102 4.368 4.470 -0.000 0.000 0.241 351 S C 2.085 176.713 174.600 0.046 0.000 1.000 351 S CA 0.739 58.956 58.200 0.029 0.000 0.964 351 S CB -0.313 62.890 63.200 0.005 0.000 0.763 351 S HN -0.015 nan 8.310 nan 0.000 0.512 352 V N 0.648 120.653 119.914 0.152 0.000 2.283 352 V HA -0.074 4.046 4.120 -0.000 0.000 0.243 352 V C 2.169 178.386 176.094 0.204 0.000 1.039 352 V CA 1.825 64.287 62.300 0.270 0.000 1.016 352 V CB -0.964 30.990 31.823 0.219 0.000 0.650 352 V HN 0.657 nan 8.190 nan 0.000 0.449 353 Y N 0.874 121.231 120.300 0.095 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 1.830 59.977 58.100 0.079 0.000 1.203 353 Y CB -0.012 38.486 38.460 0.063 0.000 0.980 353 Y HN 0.245 nan 8.280 nan 0.000 0.530 354 E N 0.347 120.578 120.200 0.052 0.000 2.017 354 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 354 E C 1.920 178.402 176.600 -0.196 0.000 0.997 354 E CA 2.182 58.555 56.400 -0.045 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 -1.891 117.697 119.800 -0.354 0.000 2.246 355 Q HA 0.113 4.453 4.340 -0.000 0.000 0.222 355 Q C 0.598 176.227 176.000 -0.619 0.000 0.851 355 Q CA 0.044 55.524 55.803 -0.539 0.000 0.945 355 Q CB 0.354 28.631 28.738 -0.769 0.000 1.122 355 Q HN 0.092 nan 8.270 nan 0.000 0.508 356 F N 0.941 120.875 119.950 -0.026 0.000 2.724 356 F HA 0.367 4.894 4.527 0.000 0.000 0.310 356 F C 0.331 176.154 175.800 0.038 0.000 1.107 356 F CA -1.189 56.841 58.000 0.049 0.000 1.218 356 F CB 0.584 39.619 39.000 0.059 0.000 1.042 356 F HN -0.067 nan 8.300 nan 0.000 0.540 357 R N 1.586 122.092 120.500 0.009 0.000 2.485 357 R HA -0.057 4.283 4.340 -0.000 0.000 0.304 357 R C 1.627 177.929 176.300 0.003 0.000 0.934 357 R CA 0.796 56.822 56.100 -0.124 0.000 1.102 357 R CB 0.420 30.465 30.300 -0.425 0.000 0.906 357 R HN 0.307 nan 8.270 nan 0.000 0.407 358 S N 3.527 119.275 115.700 0.081 0.000 2.359 358 S HA -0.286 4.184 4.470 -0.000 0.000 0.223 358 S C 1.403 175.893 174.600 -0.183 0.000 1.039 358 S CA 1.444 59.657 58.200 0.020 0.000 1.042 358 S CB -0.412 62.926 63.200 0.231 0.000 0.915 358 S HN 0.812 nan 8.310 nan 0.000 0.439 359 E N 1.583 121.735 120.200 -0.079 0.000 2.209 359 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 359 E C 2.026 178.569 176.600 -0.094 0.000 0.993 359 E CA 1.460 57.816 56.400 -0.073 0.000 0.819 359 E CB -0.372 29.320 29.700 -0.013 0.000 0.745 359 E HN 0.736 nan 8.360 nan 0.000 0.477 360 K N 0.320 120.655 120.400 -0.108 0.000 1.991 360 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 360 K C 1.943 178.486 176.600 -0.096 0.000 1.045 360 K CA 1.276 57.506 56.287 -0.094 0.000 0.937 360 K CB -0.133 32.304 32.500 -0.105 0.000 0.720 360 K HN 0.109 nan 8.250 nan 0.000 0.438 361 I N 1.286 121.797 120.570 -0.099 0.000 2.163 361 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 361 I C 2.235 178.269 176.117 -0.139 0.000 1.085 361 I CA 0.961 62.206 61.300 -0.092 0.000 1.347 361 I CB -0.442 37.582 38.000 0.039 0.000 1.044 361 I HN -0.005 nan 8.210 nan 0.000 0.408 362 V N -0.183 119.575 119.914 -0.261 0.000 2.380 362 V HA -0.314 3.806 4.120 -0.000 0.000 0.251 362 V C 2.467 178.537 176.094 -0.040 0.000 1.063 362 V CA 2.164 64.377 62.300 -0.145 0.000 1.055 362 V CB -0.838 30.860 31.823 -0.208 0.000 0.657 362 V HN 0.415 nan 8.190 nan 0.000 0.455 363 S N -0.857 114.807 115.700 -0.060 0.000 2.423 363 S HA -0.208 4.262 4.470 -0.000 0.000 0.231 363 S C 1.939 176.497 174.600 -0.070 0.000 1.014 363 S CA 1.192 59.375 58.200 -0.029 0.000 0.965 363 S CB -0.232 62.955 63.200 -0.023 0.000 0.785 363 S HN 0.695 nan 8.310 nan 0.000 0.495 364 Q N -0.255 119.466 119.800 -0.132 0.000 2.046 364 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 364 Q C 1.675 177.502 176.000 -0.288 0.000 0.975 364 Q CA 1.387 57.064 55.803 -0.211 0.000 0.836 364 Q CB -0.354 28.210 28.738 -0.290 0.000 0.896 364 Q HN 0.621 nan 8.270 nan 0.000 0.428 365 Y N 1.173 121.312 120.300 -0.268 0.000 2.224 365 Y HA -0.227 4.323 4.550 -0.000 0.000 0.289 365 Y C 2.460 177.831 175.900 -0.882 0.000 1.146 365 Y CA 1.190 58.978 58.100 -0.519 0.000 1.182 365 Y CB 0.100 38.353 38.460 -0.346 0.000 0.983 365 Y HN 0.209 nan 8.280 nan 0.000 0.524 366 E N -0.205 119.796 120.200 -0.332 0.000 2.077 366 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 366 E C 2.171 178.718 176.600 -0.088 0.000 0.989 366 E CA 2.018 58.286 56.400 -0.221 0.000 0.800 366 E CB -0.049 29.701 29.700 0.082 0.000 0.746 366 E HN 0.528 nan 8.360 nan 0.000 0.452 367 T N -1.057 113.478 114.554 -0.032 0.000 2.904 367 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 367 T C 1.956 176.646 174.700 -0.017 0.000 1.059 367 T CA 0.793 62.933 62.100 0.066 0.000 1.137 367 T CB -0.340 68.538 68.868 0.016 0.000 0.879 367 T HN 0.136 nan 8.240 nan 0.000 0.467 368 I N -0.118 120.346 120.570 -0.176 0.000 2.286 368 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 368 I C 2.349 178.426 176.117 -0.065 0.000 1.115 368 I CA 1.396 62.601 61.300 -0.158 0.000 1.392 368 I CB -0.460 37.398 38.000 -0.237 0.000 1.065 368 I HN 0.181 nan 8.210 nan 0.000 0.418 369 Y N 0.136 120.364 120.300 -0.121 0.000 2.133 369 Y HA -0.232 4.318 4.550 -0.000 0.000 0.287 369 Y C 2.551 178.346 175.900 -0.176 0.000 1.134 369 Y CA 0.880 58.848 58.100 -0.221 0.000 1.133 369 Y CB -1.542 36.681 38.460 -0.394 0.000 0.987 369 Y HN 0.078 nan 8.280 nan 0.000 0.502 370 Y N 0.387 120.756 120.300 0.115 0.000 2.165 370 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 370 Y C 2.244 178.160 175.900 0.027 0.000 1.155 370 Y CA 1.471 59.608 58.100 0.061 0.000 1.164 370 Y CB -0.808 37.681 38.460 0.048 0.000 0.978 370 Y HN 0.111 nan 8.280 nan 0.000 0.513 371 D N -0.872 119.624 120.400 0.160 0.000 2.117 371 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 371 D C 2.157 178.485 176.300 0.047 0.000 0.987 371 D CA 0.953 54.999 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 0.159 nan 8.370 nan 0.000 0.460 372 V N 0.233 120.169 119.914 0.038 0.000 3.383 372 V HA -0.077 4.043 4.120 -0.000 0.000 0.272 372 V C 1.187 177.289 176.094 0.014 0.000 1.181 372 V CA 0.838 63.146 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 -0.492 120.754 121.223 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 0.294 55.157 54.840 0.037 0.000 1.236 373 L CB -0.289 41.802 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