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 2wqy_1_A DATA FIRST_RESID 9 DATA SEQUENCE STQYPVVDHE FDAVVVGAGG AGLRAAFGLS EAGFNTACVT KLFPTRSHTV DATA SEQUENCE AAQGGINAAL GNMEDDNWRW HFYDTVKGSD WLGDQDAIHY MTEQAPAAVI DATA SEQUENCE ELENYGMPFS RTEEGKIYQR AFGGQSLQFG KGGQAHRCCC VADRTGHSLL DATA SEQUENCE HTLYGRSLRY DTSYFVEYFA LDLLMENGEC RGVIALCIED GTIHRFRAKN DATA SEQUENCE TVIATGGYGR TYFSCTSAHT STGDGTAMVT RAGLPCQDLE FVQFHPTGIY DATA SEQUENCE GAGCLITEGC RGEGGILINS QGERFMERYA PVAKDLASRD VVSRSMTIEI DATA SEQUENCE REGRGCGPEK DHVYLQLHHL PPQQLATRLP GISETAMIFA GVDVTKEPIP DATA SEQUENCE VLPTVHYNMG GIPTNYKGQV ITHVNGEDKV VPGLYACGEA ASASVHGANR DATA SEQUENCE LGANSLLDLV VFGRACALTI AETCKPGEPV PSIKPNAGEE SVANLDKLRF DATA SEQUENCE ADGTIRTSEA RLNMQKTMQS HAAVFRTGSI LQEGCEKLSQ IYRDLAHLKT DATA SEQUENCE FDRGIVWNTD LVETLELQNL MLCALQTIYG AEARKESRGA HAREDYKLRI DATA SEQUENCE DEFDYSKPLQ GQQKRPFEEH WRKHTLSYVD VKSGKVTLKY RPVIDRTLNE DATA SEQUENCE EDCSSVPPAI RSY 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.639 174.600 0.065 0.000 1.055 9 S CA 0.000 58.249 58.200 0.082 0.000 1.107 9 S CB 0.000 63.302 63.200 0.169 0.000 0.593 10 T N 0.679 115.277 114.554 0.073 0.000 3.220 10 T HA 0.158 4.508 4.350 -0.001 0.000 0.262 10 T C 1.267 175.980 174.700 0.022 0.000 0.843 10 T CA 0.418 62.540 62.100 0.036 0.000 0.838 10 T CB -0.085 68.792 68.868 0.015 0.000 1.262 10 T HN 0.689 nan 8.240 nan 0.000 0.613 11 Q N 0.062 119.880 119.800 0.030 0.000 2.389 11 Q HA 0.147 4.487 4.340 -0.001 0.000 0.204 11 Q C -0.357 175.522 176.000 -0.201 0.000 0.944 11 Q CA 0.578 56.329 55.803 -0.087 0.000 0.908 11 Q CB -0.154 28.508 28.738 -0.127 0.000 1.002 11 Q HN 0.483 nan 8.270 nan 0.000 0.493 12 Y N 2.695 123.004 120.300 0.015 0.000 2.331 12 Y HA 0.372 4.922 4.550 -0.001 0.000 0.338 12 Y C -2.123 173.770 175.900 -0.010 0.000 0.992 12 Y CA -3.036 55.071 58.100 0.011 0.000 1.121 12 Y CB 1.162 39.632 38.460 0.016 0.000 1.184 12 Y HN 0.034 nan 8.280 nan 0.000 0.469 13 P HA 0.113 nan 4.420 nan 0.000 0.271 13 P C -0.901 176.402 177.300 0.004 0.000 1.220 13 P CA 0.010 63.127 63.100 0.029 0.000 0.768 13 P CB 1.385 33.089 31.700 0.006 0.000 0.848 14 V N 4.441 124.333 119.914 -0.038 0.000 2.417 14 V HA 0.258 4.378 4.120 -0.001 0.000 0.291 14 V C 0.350 176.341 176.094 -0.171 0.000 1.024 14 V CA -0.704 61.542 62.300 -0.090 0.000 0.861 14 V CB 2.047 33.842 31.823 -0.046 0.000 0.985 14 V HN 0.286 nan 8.190 nan 0.000 0.436 15 V N 3.707 123.437 119.914 -0.306 0.000 2.459 15 V HA 0.501 4.621 4.120 -0.001 0.000 0.295 15 V C -0.658 175.225 176.094 -0.352 0.000 1.029 15 V CA -0.572 61.508 62.300 -0.366 0.000 0.874 15 V CB 1.947 33.458 31.823 -0.521 0.000 0.985 15 V HN 0.825 nan 8.190 nan 0.000 0.438 16 D N 2.480 122.664 120.400 -0.361 0.000 2.192 16 D HA 0.530 5.169 4.640 -0.001 0.000 0.246 16 D C -0.484 175.539 176.300 -0.461 0.000 1.042 16 D CA -0.166 53.654 54.000 -0.300 0.000 0.847 16 D CB 1.002 41.706 40.800 -0.160 0.000 1.186 16 D HN 0.563 nan 8.370 nan 0.000 0.461 17 H N 0.789 119.749 119.070 -0.184 0.000 2.690 17 H HA 0.443 4.998 4.556 -0.001 0.000 0.368 17 H C -0.481 174.799 175.328 -0.079 0.000 1.150 17 H CA -0.606 55.362 56.048 -0.133 0.000 1.174 17 H CB 2.069 31.798 29.762 -0.055 0.000 1.684 17 H HN 0.310 nan 8.280 nan 0.000 0.538 18 E N 2.075 122.207 120.200 -0.112 0.000 2.218 18 E HA 0.392 4.742 4.350 -0.001 0.000 0.263 18 E C -1.167 175.256 176.600 -0.295 0.000 0.879 18 E CA -0.350 55.997 56.400 -0.088 0.000 0.762 18 E CB 2.019 31.660 29.700 -0.097 0.000 1.166 18 E HN 0.274 nan 8.360 nan 0.000 0.415 19 F N 0.410 120.424 119.950 0.107 0.000 2.650 19 F HA 0.234 4.761 4.527 -0.001 0.000 0.320 19 F C 1.143 176.997 175.800 0.090 0.000 1.091 19 F CA -0.735 57.327 58.000 0.103 0.000 0.962 19 F CB 1.602 40.664 39.000 0.103 0.000 1.363 19 F HN 0.347 nan 8.300 nan 0.000 0.482 20 D N 0.529 121.120 120.400 0.319 0.000 2.162 20 D HA 0.183 4.822 4.640 -0.001 0.000 0.203 20 D C 0.119 176.550 176.300 0.219 0.000 0.967 20 D CA 1.056 55.214 54.000 0.264 0.000 0.840 20 D CB 0.328 41.349 40.800 0.368 0.000 0.972 20 D HN 0.391 nan 8.370 nan 0.000 0.482 21 A N -0.055 122.876 122.820 0.185 0.000 2.549 21 A HA 0.566 4.885 4.320 -0.001 0.000 0.297 21 A C -1.245 176.303 177.584 -0.061 0.000 1.061 21 A CA -0.541 51.510 52.037 0.022 0.000 0.690 21 A CB 2.008 20.943 19.000 -0.107 0.000 1.287 21 A HN -0.111 nan 8.150 nan 0.000 0.402 22 V N 1.562 121.402 119.914 -0.122 0.000 2.531 22 V HA 0.532 4.652 4.120 -0.001 0.000 0.301 22 V C -0.603 175.340 176.094 -0.251 0.000 1.034 22 V CA -0.560 61.596 62.300 -0.241 0.000 0.865 22 V CB 1.643 33.349 31.823 -0.194 0.000 0.995 22 V HN 0.707 nan 8.190 nan 0.000 0.424 23 V N 5.485 125.209 119.914 -0.316 0.000 2.384 23 V HA 0.428 4.547 4.120 -0.001 0.000 0.287 23 V C -0.180 175.753 176.094 -0.270 0.000 1.020 23 V CA -0.604 61.541 62.300 -0.258 0.000 0.850 23 V CB 1.983 33.657 31.823 -0.249 0.000 0.987 23 V HN 0.617 nan 8.190 nan 0.000 0.436 24 V N 4.373 124.160 119.914 -0.212 0.000 2.318 24 V HA 0.896 5.015 4.120 -0.001 0.000 0.271 24 V C 0.577 176.577 176.094 -0.157 0.000 1.030 24 V CA 0.293 62.467 62.300 -0.210 0.000 0.844 24 V CB 0.550 32.259 31.823 -0.191 0.000 1.015 24 V HN 1.240 nan 8.190 nan 0.000 0.460 25 G N 3.853 112.568 108.800 -0.142 0.000 2.653 25 G HA2 0.454 4.413 3.960 -0.001 0.000 0.656 25 G HA3 0.454 4.413 3.960 -0.001 0.000 0.656 25 G C -0.445 174.417 174.900 -0.064 0.000 1.419 25 G CA -0.192 44.852 45.100 -0.095 0.000 0.862 25 G HN 1.313 nan 8.290 nan 0.000 0.639 26 A N 0.929 123.727 122.820 -0.036 0.000 2.705 26 A HA 0.812 5.132 4.320 -0.001 0.000 0.294 26 A C 1.117 178.685 177.584 -0.027 0.000 1.039 26 A CA 1.077 53.113 52.037 -0.002 0.000 1.005 26 A CB -0.080 18.927 19.000 0.012 0.000 1.192 26 A HN 2.061 nan 8.150 nan 0.000 0.513 27 G N -0.715 108.074 108.800 -0.019 0.000 2.574 27 G HA2 0.433 4.393 3.960 -0.001 0.000 0.248 27 G HA3 0.433 4.393 3.960 -0.001 0.000 0.248 27 G C 1.117 176.019 174.900 0.003 0.000 1.422 27 G CA 0.214 45.307 45.100 -0.013 0.000 1.051 27 G HN 0.548 nan 8.290 nan 0.000 0.560 28 G N -0.271 108.540 108.800 0.018 0.000 2.418 28 G HA2 0.078 4.037 3.960 -0.001 0.000 0.217 28 G HA3 0.078 4.037 3.960 -0.001 0.000 0.217 28 G C 1.909 176.824 174.900 0.025 0.000 1.158 28 G CA 1.907 47.027 45.100 0.035 0.000 0.771 28 G HN 0.863 nan 8.290 nan 0.000 0.545 29 A N 0.962 123.796 122.820 0.024 0.000 1.841 29 A HA 0.213 4.532 4.320 -0.001 0.000 0.214 29 A C 2.761 180.320 177.584 -0.042 0.000 1.195 29 A CA 2.069 54.111 52.037 0.008 0.000 0.611 29 A CB -1.277 17.744 19.000 0.036 0.000 0.835 29 A HN 0.544 nan 8.150 nan 0.000 0.443 30 G N -0.054 108.723 108.800 -0.038 0.000 2.476 30 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.218 30 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.218 30 G C 1.587 176.448 174.900 -0.066 0.000 1.164 30 G CA 1.213 46.273 45.100 -0.066 0.000 0.768 30 G HN 0.416 nan 8.290 nan 0.000 0.560 31 L N -0.367 120.852 121.223 -0.005 0.000 2.017 31 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 31 L C 2.951 179.732 176.870 -0.148 0.000 1.073 31 L CA 1.406 56.285 54.840 0.066 0.000 0.745 31 L CB -0.328 41.827 42.059 0.161 0.000 0.894 31 L HN 0.170 nan 8.230 nan 0.000 0.432 32 R N 0.515 120.868 120.500 -0.245 0.000 2.096 32 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 32 R C 2.165 178.080 176.300 -0.640 0.000 1.127 32 R CA 1.686 57.430 56.100 -0.593 0.000 0.968 32 R CB -0.562 29.577 30.300 -0.268 0.000 0.861 32 R HN 0.334 nan 8.270 nan 0.000 0.440 33 A N 0.125 122.733 122.820 -0.353 0.000 1.873 33 A HA 0.025 4.345 4.320 -0.001 0.000 0.215 33 A C 2.370 179.753 177.584 -0.336 0.000 1.186 33 A CA 1.622 53.473 52.037 -0.310 0.000 0.616 33 A CB -1.104 17.765 19.000 -0.218 0.000 0.823 33 A HN 0.468 nan 8.150 nan 0.000 0.442 34 A N 0.110 122.764 122.820 -0.276 0.000 1.851 34 A HA -0.050 4.270 4.320 -0.001 0.000 0.216 34 A C 1.998 179.480 177.584 -0.170 0.000 1.195 34 A CA 1.842 53.751 52.037 -0.214 0.000 0.622 34 A CB -1.021 17.889 19.000 -0.150 0.000 0.831 34 A HN 1.111 nan 8.150 nan 0.000 0.444 35 F N 0.112 119.950 119.950 -0.185 0.000 2.558 35 F HA 0.264 4.791 4.527 -0.001 0.000 0.298 35 F C 1.899 177.410 175.800 -0.481 0.000 1.119 35 F CA 0.432 58.205 58.000 -0.378 0.000 1.451 35 F CB -1.109 37.640 39.000 -0.419 0.000 1.091 35 F HN 0.089 nan 8.300 nan 0.000 0.563 36 G N 1.645 110.120 108.800 -0.541 0.000 2.402 36 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.216 36 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.216 36 G C 1.701 176.473 174.900 -0.212 0.000 1.162 36 G CA 1.018 45.904 45.100 -0.358 0.000 0.777 36 G HN 0.455 nan 8.290 nan 0.000 0.539 37 L N 0.712 121.798 121.223 -0.228 0.000 2.027 37 L HA -0.077 4.262 4.340 -0.001 0.000 0.206 37 L C 3.219 180.113 176.870 0.040 0.000 1.074 37 L CA 1.291 56.032 54.840 -0.164 0.000 0.745 37 L CB -0.361 41.552 42.059 -0.242 0.000 0.898 37 L HN 0.160 nan 8.230 nan 0.000 0.433 38 S N -0.161 115.533 115.700 -0.010 0.000 2.383 38 S HA -0.227 4.243 4.470 -0.001 0.000 0.229 38 S C 1.733 176.390 174.600 0.096 0.000 1.030 38 S CA 1.716 59.960 58.200 0.073 0.000 1.002 38 S CB -0.361 62.886 63.200 0.079 0.000 0.829 38 S HN 0.610 nan 8.310 nan 0.000 0.467 39 E N 1.309 121.471 120.200 -0.064 0.000 2.347 39 E HA 0.059 4.409 4.350 -0.001 0.000 0.196 39 E C 1.498 178.182 176.600 0.141 0.000 1.008 39 E CA 0.869 57.321 56.400 0.087 0.000 0.852 39 E CB -0.168 29.536 29.700 0.008 0.000 0.783 39 E HN 0.461 nan 8.360 nan 0.000 0.505 40 A N 0.752 123.662 122.820 0.149 0.000 2.307 40 A HA 0.448 4.767 4.320 -0.001 0.000 0.218 40 A C 1.746 179.450 177.584 0.200 0.000 1.228 40 A CA 0.428 52.592 52.037 0.212 0.000 0.857 40 A CB -0.226 18.948 19.000 0.291 0.000 0.897 40 A HN 0.506 nan 8.150 nan 0.000 0.495 41 G N -1.796 107.095 108.800 0.153 0.000 2.176 41 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.232 41 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.232 41 G C -0.071 174.786 174.900 -0.073 0.000 0.986 41 G CA 0.005 45.111 45.100 0.011 0.000 0.643 41 G HN 0.304 nan 8.290 nan 0.000 0.522 42 F N 1.515 121.477 119.950 0.019 0.000 2.412 42 F HA 0.367 4.893 4.527 -0.001 0.000 0.348 42 F C 0.953 176.787 175.800 0.057 0.000 1.102 42 F CA -0.825 57.189 58.000 0.023 0.000 1.196 42 F CB 0.858 39.850 39.000 -0.012 0.000 1.144 42 F HN 0.100 nan 8.300 nan 0.000 0.541 43 N N 2.214 121.053 118.700 0.232 0.000 2.402 43 N HA 0.103 4.842 4.740 -0.001 0.000 0.259 43 N C -1.085 174.637 175.510 0.354 0.000 1.167 43 N CA -0.040 53.171 53.050 0.268 0.000 0.949 43 N CB 0.291 38.916 38.487 0.231 0.000 1.212 43 N HN 0.585 nan 8.380 nan 0.000 0.493 44 T N 1.847 116.533 114.554 0.219 0.000 2.855 44 T HA 0.577 4.926 4.350 -0.001 0.000 0.281 44 T C -0.465 174.042 174.700 -0.322 0.000 1.007 44 T CA -0.624 61.473 62.100 -0.005 0.000 1.009 44 T CB 1.743 70.572 68.868 -0.065 0.000 0.983 44 T HN 0.531 nan 8.240 nan 0.000 0.455 45 A N 1.040 123.477 122.820 -0.637 0.000 2.330 45 A HA 0.660 4.979 4.320 -0.001 0.000 0.327 45 A C -0.288 176.908 177.584 -0.647 0.000 1.155 45 A CA -0.709 50.808 52.037 -0.867 0.000 0.803 45 A CB 0.778 18.904 19.000 -1.456 0.000 1.208 45 A HN 0.967 nan 8.150 nan 0.000 0.477 46 C N 3.664 122.573 119.300 -0.652 0.000 2.316 46 C HA 0.646 5.105 4.460 -0.001 0.000 0.324 46 C C -0.592 174.149 174.990 -0.415 0.000 1.226 46 C CA -0.288 58.385 59.018 -0.574 0.000 1.450 46 C CB -0.666 26.605 27.740 -0.782 0.000 2.123 46 C HN 0.665 nan 8.230 nan 0.000 0.454 47 V N 6.051 125.709 119.914 -0.427 0.000 2.370 47 V HA 0.661 4.781 4.120 -0.001 0.000 0.279 47 V C 0.478 176.454 176.094 -0.195 0.000 1.029 47 V CA 0.139 62.205 62.300 -0.389 0.000 0.870 47 V CB 1.563 32.986 31.823 -0.667 0.000 0.984 47 V HN 0.927 nan 8.190 nan 0.000 0.451 48 T N 3.591 118.105 114.554 -0.067 0.000 2.952 48 T HA 0.347 4.697 4.350 -0.001 0.000 0.305 48 T C 0.694 175.424 174.700 0.050 0.000 1.064 48 T CA -0.648 61.437 62.100 -0.026 0.000 1.008 48 T CB 1.591 70.453 68.868 -0.010 0.000 1.078 48 T HN 0.822 nan 8.240 nan 0.000 0.459 49 K N 3.612 124.024 120.400 0.020 0.000 2.432 49 K HA 0.256 4.576 4.320 -0.001 0.000 0.196 49 K C 0.312 176.976 176.600 0.107 0.000 1.038 49 K CA 0.478 56.815 56.287 0.082 0.000 0.986 49 K CB -0.016 32.535 32.500 0.084 0.000 0.782 49 K HN 0.430 nan 8.250 nan 0.000 0.485 50 L N 0.551 121.828 121.223 0.091 0.000 2.333 50 L HA 0.405 4.745 4.340 -0.001 0.000 0.263 50 L C -0.434 176.499 176.870 0.106 0.000 1.014 50 L CA -1.605 53.312 54.840 0.128 0.000 0.820 50 L CB 1.164 43.282 42.059 0.098 0.000 1.352 50 L HN -0.109 nan 8.230 nan 0.000 0.421 51 F N 2.890 122.866 119.950 0.043 0.000 2.572 51 F HA 0.160 4.686 4.527 -0.000 0.000 0.370 51 F C -1.543 174.189 175.800 -0.113 0.000 1.103 51 F CA -1.345 56.635 58.000 -0.033 0.000 1.286 51 F CB 0.752 39.722 39.000 -0.049 0.000 1.105 51 F HN 0.305 nan 8.300 nan 0.000 0.583 52 P HA -0.264 nan 4.420 nan 0.000 0.217 52 P C 1.436 178.436 177.300 -0.500 0.000 1.162 52 P CA 3.088 65.791 63.100 -0.662 0.000 0.901 52 P CB -0.283 30.974 31.700 -0.738 0.000 0.793 53 T N -3.880 110.295 114.554 -0.632 0.000 3.163 53 T HA 0.008 4.358 4.350 -0.001 0.000 0.260 53 T C 1.403 176.022 174.700 -0.135 0.000 1.156 53 T CA 0.434 62.284 62.100 -0.417 0.000 1.072 53 T CB -0.536 68.020 68.868 -0.519 0.000 0.937 53 T HN -0.035 nan 8.240 nan 0.000 0.528 54 R N 1.199 121.685 120.500 -0.024 0.000 2.300 54 R HA 0.337 4.677 4.340 -0.001 0.000 0.199 54 R C 0.752 177.076 176.300 0.041 0.000 0.920 54 R CA -0.075 56.063 56.100 0.064 0.000 1.046 54 R CB -0.349 30.032 30.300 0.134 0.000 0.984 54 R HN 0.385 nan 8.270 nan 0.000 0.493 55 S N 0.932 116.624 115.700 -0.013 0.000 2.573 55 S HA -0.053 4.417 4.470 -0.001 0.000 0.277 55 S C 1.145 175.770 174.600 0.042 0.000 1.346 55 S CA -0.227 57.983 58.200 0.016 0.000 1.034 55 S CB 0.708 63.895 63.200 -0.020 0.000 0.879 55 S HN 0.367 nan 8.310 nan 0.000 0.528 56 H N 2.346 121.411 119.070 -0.008 0.000 2.460 56 H HA -0.115 4.441 4.556 -0.001 0.000 0.297 56 H C 1.866 177.194 175.328 -0.001 0.000 1.103 56 H CA 2.345 58.387 56.048 -0.009 0.000 1.292 56 H CB -0.538 29.206 29.762 -0.030 0.000 1.376 56 H HN 0.630 nan 8.280 nan 0.000 0.531 57 T N -0.823 113.694 114.554 -0.061 0.000 2.778 57 T HA -0.173 4.176 4.350 -0.001 0.000 0.269 57 T C 2.154 176.797 174.700 -0.095 0.000 1.050 57 T CA 1.195 63.250 62.100 -0.074 0.000 1.137 57 T CB -0.614 68.243 68.868 -0.019 0.000 0.860 57 T HN 0.250 nan 8.240 nan 0.000 0.468 58 V N 1.039 120.902 119.914 -0.084 0.000 2.759 58 V HA 0.011 4.131 4.120 -0.001 0.000 0.256 58 V C 2.268 178.362 176.094 -0.001 0.000 1.080 58 V CA 1.585 63.875 62.300 -0.017 0.000 1.101 58 V CB -0.605 31.220 31.823 0.002 0.000 0.698 58 V HN 0.522 nan 8.190 nan 0.000 0.477 59 A N -0.530 122.201 122.820 -0.147 0.000 2.275 59 A HA 0.631 4.951 4.320 -0.001 0.000 0.212 59 A C 1.254 178.758 177.584 -0.133 0.000 1.201 59 A CA 0.588 52.532 52.037 -0.155 0.000 0.843 59 A CB -0.375 18.461 19.000 -0.272 0.000 0.873 59 A HN 0.691 nan 8.150 nan 0.000 0.492 60 A N -0.401 122.348 122.820 -0.118 0.000 2.483 60 A HA 0.412 4.732 4.320 -0.001 0.000 0.238 60 A C 0.759 178.361 177.584 0.031 0.000 1.070 60 A CA 0.269 52.286 52.037 -0.033 0.000 0.770 60 A CB 0.254 19.244 19.000 -0.017 0.000 1.008 60 A HN 0.581 nan 8.150 nan 0.000 0.497 61 Q N 1.823 121.665 119.800 0.069 0.000 2.652 61 Q HA 0.124 4.464 4.340 -0.001 0.000 0.211 61 Q C 2.178 178.256 176.000 0.129 0.000 0.858 61 Q CA 0.488 56.346 55.803 0.092 0.000 0.895 61 Q CB -0.111 28.682 28.738 0.092 0.000 1.194 61 Q HN 0.887 nan 8.270 nan 0.000 0.645 62 G N 0.787 109.707 108.800 0.200 0.000 2.529 62 G HA2 0.067 4.027 3.960 -0.001 0.000 0.219 62 G HA3 0.067 4.027 3.960 -0.001 0.000 0.219 62 G C 0.639 175.567 174.900 0.047 0.000 1.177 62 G CA 1.118 46.386 45.100 0.281 0.000 0.773 62 G HN 0.543 nan 8.290 nan 0.000 0.573 63 G N -1.540 107.203 108.800 -0.094 0.000 2.352 63 G HA2 0.340 4.299 3.960 -0.001 0.000 0.283 63 G HA3 0.340 4.299 3.960 -0.001 0.000 0.283 63 G C -1.718 173.091 174.900 -0.152 0.000 1.308 63 G CA -0.258 44.779 45.100 -0.105 0.000 0.892 63 G HN 0.861 nan 8.290 nan 0.000 0.504 64 I N 0.333 120.857 120.570 -0.078 0.000 2.533 64 I HA 0.488 4.657 4.170 -0.001 0.000 0.290 64 I C -0.979 175.079 176.117 -0.098 0.000 1.056 64 I CA -1.129 60.138 61.300 -0.055 0.000 1.057 64 I CB 1.775 39.813 38.000 0.064 0.000 1.240 64 I HN 0.438 nan 8.210 nan 0.000 0.423 65 N N 6.302 124.933 118.700 -0.114 0.000 2.520 65 N HA 0.631 5.371 4.740 -0.001 0.000 0.273 65 N C -0.815 174.638 175.510 -0.095 0.000 1.155 65 N CA -0.102 52.847 53.050 -0.168 0.000 0.967 65 N CB 1.676 40.021 38.487 -0.236 0.000 1.092 65 N HN 0.708 nan 8.380 nan 0.000 0.457 66 A N 0.499 123.219 122.820 -0.167 0.000 2.547 66 A HA 0.604 4.924 4.320 -0.001 0.000 0.298 66 A C -0.643 176.888 177.584 -0.089 0.000 1.062 66 A CA -0.785 51.209 52.037 -0.072 0.000 0.748 66 A CB 0.646 19.598 19.000 -0.079 0.000 1.288 66 A HN 0.571 nan 8.150 nan 0.000 0.396 67 A N 2.536 125.355 122.820 -0.001 0.000 3.048 67 A HA 0.475 4.795 4.320 -0.001 0.000 0.264 67 A C 0.840 178.408 177.584 -0.027 0.000 1.796 67 A CA -0.070 51.966 52.037 -0.002 0.000 1.445 67 A CB -1.086 17.956 19.000 0.070 0.000 1.074 67 A HN 0.892 nan 8.150 nan 0.000 0.621 68 L N 0.569 121.754 121.223 -0.063 0.000 2.240 68 L HA 0.087 4.426 4.340 -0.001 0.000 0.211 68 L C 1.916 178.752 176.870 -0.057 0.000 1.106 68 L CA 0.926 55.722 54.840 -0.072 0.000 0.793 68 L CB -0.191 41.802 42.059 -0.110 0.000 0.927 68 L HN 0.771 nan 8.230 nan 0.000 0.446 69 G N 0.086 108.859 108.800 -0.045 0.000 2.160 69 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.244 69 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.244 69 G C 0.564 175.449 174.900 -0.026 0.000 1.022 69 G CA 0.459 45.544 45.100 -0.025 0.000 0.741 69 G HN 0.325 nan 8.290 nan 0.000 0.508 70 N N -0.411 118.263 118.700 -0.042 0.000 2.396 70 N HA 0.045 4.784 4.740 -0.001 0.000 0.180 70 N C 2.180 177.677 175.510 -0.023 0.000 1.028 70 N CA 1.387 54.414 53.050 -0.038 0.000 0.893 70 N CB -0.101 38.351 38.487 -0.058 0.000 0.967 70 N HN 0.481 nan 8.380 nan 0.000 0.440 71 M N -0.245 119.341 119.600 -0.023 0.000 2.730 71 M HA 0.179 4.658 4.480 -0.001 0.000 0.258 71 M C 0.552 176.841 176.300 -0.017 0.000 1.279 71 M CA 0.671 55.954 55.300 -0.030 0.000 1.183 71 M CB -0.091 32.476 32.600 -0.055 0.000 1.291 71 M HN 0.094 nan 8.290 nan 0.000 0.518 72 E N 0.058 120.270 120.200 0.020 0.000 2.437 72 E HA 0.265 4.615 4.350 -0.001 0.000 0.280 72 E C -1.746 174.894 176.600 0.066 0.000 1.044 72 E CA -0.508 55.919 56.400 0.045 0.000 0.826 72 E CB 1.141 30.886 29.700 0.075 0.000 1.358 72 E HN -0.110 nan 8.360 nan 0.000 0.459 73 D N 0.526 120.976 120.400 0.084 0.000 2.414 73 D HA 0.314 4.954 4.640 -0.001 0.000 0.242 73 D C -0.788 175.601 176.300 0.148 0.000 1.129 73 D CA 0.998 55.048 54.000 0.084 0.000 0.885 73 D CB 0.625 41.477 40.800 0.087 0.000 1.198 73 D HN 0.283 nan 8.370 nan 0.000 0.437 74 D N 0.488 120.888 120.400 -0.000 0.000 2.636 74 D HA 0.427 5.066 4.640 -0.001 0.000 0.275 74 D C -1.450 174.526 176.300 -0.540 0.000 1.130 74 D CA -0.657 53.297 54.000 -0.077 0.000 1.031 74 D CB 1.407 42.209 40.800 0.003 0.000 1.451 74 D HN 0.210 nan 8.370 nan 0.000 0.505 75 N N 0.937 119.180 118.700 -0.761 0.000 2.455 75 N HA 0.051 4.790 4.740 -0.001 0.000 0.285 75 N C 0.809 176.004 175.510 -0.524 0.000 1.080 75 N CA -0.598 51.870 53.050 -0.970 0.000 0.932 75 N CB 0.869 38.114 38.487 -2.069 0.000 1.610 75 N HN 0.621 nan 8.380 nan 0.000 0.493 76 W N 4.337 125.469 121.300 -0.281 0.000 2.392 76 W HA -0.043 4.616 4.660 -0.001 0.000 0.279 76 W C 0.572 177.074 176.519 -0.029 0.000 1.225 76 W CA 0.311 57.609 57.345 -0.079 0.000 1.233 76 W CB -0.363 29.059 29.460 -0.064 0.000 1.122 76 W HN 0.444 nan 8.180 nan 0.000 0.561 77 R N -0.542 119.416 120.500 -0.902 0.000 2.189 77 R HA -0.111 4.228 4.340 -0.001 0.000 0.223 77 R C 1.990 178.227 176.300 -0.105 0.000 1.092 77 R CA 1.672 57.364 56.100 -0.679 0.000 0.989 77 R CB -0.571 29.220 30.300 -0.849 0.000 0.876 77 R HN 0.117 nan 8.270 nan 0.000 0.457 78 W N -0.002 121.067 121.300 -0.387 0.000 2.418 78 W HA -0.039 4.620 4.660 -0.001 0.000 0.292 78 W C 2.018 178.579 176.519 0.069 0.000 1.213 78 W CA 0.524 57.640 57.345 -0.383 0.000 1.283 78 W CB -1.118 28.110 29.460 -0.386 0.000 1.119 78 W HN 0.309 nan 8.180 nan 0.000 0.542 79 H N -1.286 117.929 119.070 0.241 0.000 2.389 79 H HA -0.201 4.355 4.556 -0.001 0.000 0.299 79 H C 2.244 177.725 175.328 0.254 0.000 1.081 79 H CA 1.519 57.700 56.048 0.222 0.000 1.345 79 H CB -0.401 29.483 29.762 0.204 0.000 1.393 79 H HN 0.001 nan 8.280 nan 0.000 0.520 80 F N 0.925 120.978 119.950 0.173 0.000 2.069 80 F HA -0.316 4.211 4.527 -0.001 0.000 0.298 80 F C 2.354 178.242 175.800 0.146 0.000 1.113 80 F CA 1.961 60.038 58.000 0.128 0.000 1.214 80 F CB -1.054 38.063 39.000 0.196 0.000 0.978 80 F HN 0.203 nan 8.300 nan 0.000 0.474 81 Y N 1.460 121.853 120.300 0.155 0.000 2.128 81 Y HA -0.248 4.302 4.550 -0.001 0.000 0.284 81 Y C 2.262 178.142 175.900 -0.034 0.000 1.154 81 Y CA 2.207 60.353 58.100 0.076 0.000 1.149 81 Y CB -0.801 37.905 38.460 0.411 0.000 0.976 81 Y HN 0.128 nan 8.280 nan 0.000 0.505 82 D N -0.913 119.538 120.400 0.086 0.000 2.178 82 D HA -0.147 4.492 4.640 -0.001 0.000 0.201 82 D C 2.045 178.273 176.300 -0.119 0.000 0.980 82 D CA 1.893 55.902 54.000 0.016 0.000 0.842 82 D CB -0.355 40.562 40.800 0.195 0.000 0.948 82 D HN 0.407 nan 8.370 nan 0.000 0.472 83 T N 0.298 114.768 114.554 -0.140 0.000 2.896 83 T HA -0.030 4.319 4.350 -0.001 0.000 0.263 83 T C 2.300 176.782 174.700 -0.362 0.000 1.050 83 T CA 0.336 62.331 62.100 -0.176 0.000 1.140 83 T CB -0.100 68.679 68.868 -0.147 0.000 0.877 83 T HN -0.033 nan 8.240 nan 0.000 0.457 84 V N 1.861 121.426 119.914 -0.581 0.000 2.295 84 V HA -0.166 3.954 4.120 -0.001 0.000 0.246 84 V C 2.540 178.014 176.094 -1.033 0.000 1.049 84 V CA 1.703 63.542 62.300 -0.768 0.000 1.024 84 V CB -0.507 30.800 31.823 -0.859 0.000 0.648 84 V HN 0.434 nan 8.190 nan 0.000 0.447 85 K N 0.327 120.122 120.400 -1.008 0.000 2.057 85 K HA -0.124 4.196 4.320 -0.001 0.000 0.206 85 K C 2.169 178.424 176.600 -0.575 0.000 1.050 85 K CA 1.605 57.248 56.287 -1.073 0.000 0.935 85 K CB -0.627 31.450 32.500 -0.705 0.000 0.715 85 K HN 0.464 nan 8.250 nan 0.000 0.439 86 G N 0.595 109.212 108.800 -0.305 0.000 2.450 86 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.220 86 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.220 86 G C 1.454 176.266 174.900 -0.147 0.000 1.130 86 G CA 1.180 46.224 45.100 -0.094 0.000 0.760 86 G HN 0.518 nan 8.290 nan 0.000 0.557 87 S N -0.280 115.259 115.700 -0.268 0.000 2.607 87 S HA 0.040 4.509 4.470 -0.001 0.000 0.224 87 S C 0.990 175.458 174.600 -0.221 0.000 0.969 87 S CA 0.952 59.023 58.200 -0.215 0.000 0.927 87 S CB -0.005 63.057 63.200 -0.229 0.000 0.772 87 S HN 0.298 nan 8.310 nan 0.000 0.533 88 D N 0.612 120.838 120.400 -0.290 0.000 2.772 88 D HA -0.195 4.445 4.640 -0.001 0.000 0.233 88 D C -0.455 175.925 176.300 0.133 0.000 1.143 88 D CA 1.017 54.999 54.000 -0.030 0.000 0.700 88 D CB -2.037 38.834 40.800 0.119 0.000 1.076 88 D HN 0.685 nan 8.370 nan 0.000 0.430 89 W N -2.346 118.903 121.300 -0.084 0.000 4.551 89 W HA -0.313 4.347 4.660 -0.001 0.000 0.343 89 W C 1.124 177.587 176.519 -0.093 0.000 1.269 89 W CA 0.537 57.826 57.345 -0.093 0.000 0.799 89 W CB -2.004 27.391 29.460 -0.108 0.000 2.352 89 W HN 0.313 nan 8.180 nan 0.000 1.462 90 L N -0.098 121.081 121.223 -0.072 0.000 2.664 90 L HA 0.424 4.763 4.340 -0.001 0.000 0.233 90 L C 1.569 178.376 176.870 -0.104 0.000 1.113 90 L CA 1.311 56.062 54.840 -0.148 0.000 0.896 90 L CB 0.027 41.934 42.059 -0.254 0.000 1.163 90 L HN -0.042 nan 8.230 nan 0.000 0.497 91 G N -0.364 108.378 108.800 -0.097 0.000 2.415 91 G HA2 0.224 4.183 3.960 -0.001 0.000 0.269 91 G HA3 0.224 4.183 3.960 -0.001 0.000 0.269 91 G C -0.879 174.036 174.900 0.026 0.000 1.209 91 G CA -0.485 44.589 45.100 -0.043 0.000 0.835 91 G HN 0.109 nan 8.290 nan 0.000 0.534 92 D N 1.771 122.226 120.400 0.092 0.000 2.325 92 D HA 0.084 4.723 4.640 -0.001 0.000 0.251 92 D C 1.312 177.692 176.300 0.134 0.000 1.196 92 D CA 0.065 54.148 54.000 0.138 0.000 0.866 92 D CB 1.812 42.704 40.800 0.153 0.000 1.101 92 D HN 0.477 nan 8.370 nan 0.000 0.476 93 Q N 1.249 121.150 119.800 0.168 0.000 2.291 93 Q HA -0.144 4.196 4.340 -0.001 0.000 0.205 93 Q C 1.191 177.409 176.000 0.363 0.000 0.970 93 Q CA 0.918 56.888 55.803 0.278 0.000 0.876 93 Q CB 0.233 29.169 28.738 0.330 0.000 0.935 93 Q HN 0.513 nan 8.270 nan 0.000 0.455 94 D N 0.419 120.954 120.400 0.224 0.000 2.149 94 D HA -0.124 4.515 4.640 -0.001 0.000 0.201 94 D C 1.670 178.046 176.300 0.126 0.000 0.972 94 D CA 1.323 55.384 54.000 0.101 0.000 0.835 94 D CB -0.291 40.497 40.800 -0.021 0.000 0.966 94 D HN 0.160 nan 8.370 nan 0.000 0.476 95 A N 0.673 123.633 122.820 0.234 0.000 1.929 95 A HA 0.061 4.381 4.320 -0.001 0.000 0.216 95 A C 2.483 180.307 177.584 0.400 0.000 1.176 95 A CA 0.711 52.965 52.037 0.361 0.000 0.628 95 A CB -0.738 18.405 19.000 0.239 0.000 0.816 95 A HN 0.234 nan 8.150 nan 0.000 0.444 96 I N -1.111 119.642 120.570 0.303 0.000 2.286 96 I HA -0.289 3.880 4.170 -0.001 0.000 0.248 96 I C 2.444 178.849 176.117 0.481 0.000 1.115 96 I CA 1.751 63.219 61.300 0.279 0.000 1.392 96 I CB -0.477 37.578 38.000 0.092 0.000 1.065 96 I HN 0.616 nan 8.210 nan 0.000 0.418 97 H N -0.113 119.237 119.070 0.466 0.000 2.293 97 H HA -0.300 4.255 4.556 -0.001 0.000 0.300 97 H C 2.418 177.783 175.328 0.062 0.000 1.082 97 H CA 1.983 58.224 56.048 0.321 0.000 1.308 97 H CB -0.154 29.691 29.762 0.139 0.000 1.375 97 H HN 0.332 nan 8.280 nan 0.000 0.495 98 Y N 0.609 120.963 120.300 0.091 0.000 2.128 98 Y HA -0.315 4.234 4.550 -0.001 0.000 0.284 98 Y C 2.876 178.706 175.900 -0.117 0.000 1.154 98 Y CA 2.036 60.082 58.100 -0.091 0.000 1.149 98 Y CB -0.227 38.214 38.460 -0.032 0.000 0.976 98 Y HN 0.272 nan 8.280 nan 0.000 0.505 99 M N -0.381 119.233 119.600 0.023 0.000 2.086 99 M HA -0.210 4.269 4.480 -0.001 0.000 0.261 99 M C 2.210 178.416 176.300 -0.156 0.000 1.067 99 M CA 2.521 57.755 55.300 -0.111 0.000 1.116 99 M CB -0.384 32.306 32.600 0.151 0.000 1.348 99 M HN 0.504 nan 8.290 nan 0.000 0.407 100 T N -2.434 112.077 114.554 -0.072 0.000 2.777 100 T HA -0.172 4.177 4.350 -0.001 0.000 0.266 100 T C 1.608 176.214 174.700 -0.158 0.000 1.040 100 T CA 1.551 63.610 62.100 -0.069 0.000 1.141 100 T CB -0.584 68.303 68.868 0.032 0.000 0.868 100 T HN 0.569 nan 8.240 nan 0.000 0.444 101 E N 0.467 120.344 120.200 -0.539 0.000 2.110 101 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 101 E C 2.238 178.387 176.600 -0.751 0.000 0.988 101 E CA 0.821 56.481 56.400 -1.233 0.000 0.804 101 E CB -0.006 28.730 29.700 -1.607 0.000 0.745 101 E HN 0.410 nan 8.360 nan 0.000 0.458 102 Q N -0.455 118.972 119.800 -0.621 0.000 2.435 102 Q HA 0.037 4.377 4.340 -0.001 0.000 0.207 102 Q C 1.848 177.654 176.000 -0.323 0.000 0.956 102 Q CA 0.762 56.249 55.803 -0.527 0.000 0.917 102 Q CB 0.223 28.518 28.738 -0.738 0.000 0.997 102 Q HN 0.318 nan 8.270 nan 0.000 0.497 103 A N 2.021 124.704 122.820 -0.229 0.000 1.892 103 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 103 A C -0.391 177.137 177.584 -0.093 0.000 1.188 103 A CA 1.388 53.368 52.037 -0.095 0.000 0.631 103 A CB -1.511 17.525 19.000 0.060 0.000 0.822 103 A HN 0.262 nan 8.150 nan 0.000 0.447 104 P HA -0.132 nan 4.420 nan 0.000 0.215 104 P C 1.804 179.034 177.300 -0.117 0.000 1.157 104 P CA 2.003 65.044 63.100 -0.098 0.000 0.868 104 P CB -0.154 31.495 31.700 -0.084 0.000 0.788 105 A N -0.006 122.729 122.820 -0.141 0.000 1.908 105 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 105 A C 2.327 179.835 177.584 -0.125 0.000 1.181 105 A CA 2.284 54.241 52.037 -0.134 0.000 0.627 105 A CB -1.665 17.242 19.000 -0.155 0.000 0.818 105 A HN 0.199 nan 8.150 nan 0.000 0.445 106 A N -0.757 121.986 122.820 -0.127 0.000 1.933 106 A HA 0.027 4.347 4.320 -0.001 0.000 0.218 106 A C 2.219 179.764 177.584 -0.066 0.000 1.175 106 A CA 1.800 53.778 52.037 -0.098 0.000 0.628 106 A CB -0.775 18.170 19.000 -0.092 0.000 0.814 106 A HN 0.396 nan 8.150 nan 0.000 0.444 107 V N -0.050 119.826 119.914 -0.064 0.000 2.379 107 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 107 V C 2.380 178.435 176.094 -0.065 0.000 1.044 107 V CA 1.698 63.975 62.300 -0.039 0.000 1.036 107 V CB -0.630 31.118 31.823 -0.124 0.000 0.664 107 V HN 0.555 nan 8.190 nan 0.000 0.453 108 I N 0.281 120.786 120.570 -0.109 0.000 2.208 108 I HA -0.306 3.864 4.170 -0.001 0.000 0.245 108 I C 2.621 178.667 176.117 -0.118 0.000 1.097 108 I CA 2.076 63.315 61.300 -0.102 0.000 1.363 108 I CB -0.316 37.624 38.000 -0.099 0.000 1.051 108 I HN 0.445 nan 8.210 nan 0.000 0.413 109 E N 1.329 121.422 120.200 -0.178 0.000 2.070 109 E HA -0.255 4.095 4.350 -0.001 0.000 0.197 109 E C 2.345 178.581 176.600 -0.606 0.000 1.004 109 E CA 1.476 57.648 56.400 -0.380 0.000 0.805 109 E CB -0.106 29.379 29.700 -0.358 0.000 0.744 109 E HN 0.461 nan 8.360 nan 0.000 0.451 110 L N 0.884 121.937 121.223 -0.283 0.000 2.046 110 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 110 L C 2.897 179.841 176.870 0.125 0.000 1.077 110 L CA 1.245 56.054 54.840 -0.052 0.000 0.747 110 L CB -0.497 41.673 42.059 0.184 0.000 0.896 110 L HN 0.257 nan 8.230 nan 0.000 0.432 111 E N 0.674 121.019 120.200 0.242 0.000 2.072 111 E HA -0.205 4.144 4.350 -0.001 0.000 0.191 111 E C 1.679 178.363 176.600 0.140 0.000 0.985 111 E CA 1.152 57.739 56.400 0.311 0.000 0.801 111 E CB -0.056 29.808 29.700 0.273 0.000 0.750 111 E HN 0.426 nan 8.360 nan 0.000 0.452 112 N N -0.110 118.609 118.700 0.031 0.000 2.520 112 N HA -0.116 4.624 4.740 -0.001 0.000 0.185 112 N C 1.183 176.781 175.510 0.145 0.000 1.068 112 N CA 0.614 53.689 53.050 0.041 0.000 0.911 112 N CB -0.359 38.118 38.487 -0.017 0.000 0.961 112 N HN 0.413 nan 8.380 nan 0.000 0.446 113 Y N -1.069 119.275 120.300 0.075 0.000 2.546 113 Y HA 0.136 4.685 4.550 -0.001 0.000 0.287 113 Y C 1.646 177.562 175.900 0.026 0.000 1.158 113 Y CA -0.070 58.056 58.100 0.042 0.000 1.307 113 Y CB 0.476 38.967 38.460 0.052 0.000 1.036 113 Y HN 0.145 nan 8.280 nan 0.000 0.532 114 G N 0.624 109.536 108.800 0.187 0.000 2.184 114 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.206 114 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.206 114 G C 0.198 175.142 174.900 0.074 0.000 0.995 114 G CA -0.307 44.860 45.100 0.112 0.000 0.651 114 G HN 0.228 nan 8.290 nan 0.000 0.511 115 M N 2.901 122.539 119.600 0.063 0.000 2.338 115 M HA 0.234 4.714 4.480 -0.001 0.000 0.360 115 M C -1.309 174.914 176.300 -0.129 0.000 1.547 115 M CA -0.695 54.535 55.300 -0.118 0.000 1.001 115 M CB 0.533 32.935 32.600 -0.329 0.000 2.008 115 M HN 0.021 nan 8.290 nan 0.000 0.464 116 P HA 0.019 nan 4.420 nan 0.000 0.232 116 P C -0.816 176.488 177.300 0.008 0.000 1.738 116 P CA 0.052 63.142 63.100 -0.017 0.000 0.948 116 P CB -0.874 30.825 31.700 -0.001 0.000 1.943 117 F N 0.525 120.514 119.950 0.066 0.000 2.646 117 F HA -0.068 4.458 4.527 -0.001 0.000 0.363 117 F C 1.685 177.532 175.800 0.079 0.000 1.143 117 F CA 0.883 58.928 58.000 0.075 0.000 1.356 117 F CB -0.119 38.921 39.000 0.066 0.000 1.055 117 F HN 0.052 nan 8.300 nan 0.000 0.606 118 S N 3.312 119.207 115.700 0.325 0.000 2.584 118 S HA 0.403 4.872 4.470 -0.001 0.000 0.270 118 S C 0.185 174.917 174.600 0.219 0.000 1.346 118 S CA -0.784 57.535 58.200 0.199 0.000 1.018 118 S CB 0.609 63.907 63.200 0.164 0.000 0.899 118 S HN 0.326 nan 8.310 nan 0.000 0.542 119 R N 0.944 121.517 120.500 0.121 0.000 2.832 119 R HA 0.532 4.871 4.340 -0.001 0.000 0.271 119 R C 0.313 176.673 176.300 0.100 0.000 0.996 119 R CA -0.633 55.538 56.100 0.117 0.000 0.977 119 R CB 1.251 31.597 30.300 0.077 0.000 1.168 119 R HN 0.830 nan 8.270 nan 0.000 0.482 120 T N -2.180 112.442 114.554 0.113 0.000 2.849 120 T HA 0.211 4.560 4.350 -0.001 0.000 0.276 120 T C 1.046 175.776 174.700 0.050 0.000 0.971 120 T CA -0.715 61.447 62.100 0.102 0.000 0.949 120 T CB 0.970 69.899 68.868 0.102 0.000 1.093 120 T HN 0.382 nan 8.240 nan 0.000 0.545 121 E N 0.333 120.557 120.200 0.039 0.000 2.265 121 E HA -0.114 4.236 4.350 -0.001 0.000 0.196 121 E C 1.604 178.216 176.600 0.020 0.000 0.996 121 E CA 1.064 57.477 56.400 0.022 0.000 0.832 121 E CB -0.030 29.680 29.700 0.017 0.000 0.756 121 E HN 0.764 nan 8.360 nan 0.000 0.491 122 E N -0.445 119.769 120.200 0.023 0.000 2.489 122 E HA 0.092 4.442 4.350 -0.001 0.000 0.193 122 E C 0.932 177.543 176.600 0.018 0.000 1.057 122 E CA 0.319 56.730 56.400 0.017 0.000 0.866 122 E CB 0.403 30.110 29.700 0.013 0.000 0.916 122 E HN 0.332 nan 8.360 nan 0.000 0.500 123 G N 1.883 110.699 108.800 0.027 0.000 2.157 123 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.248 123 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.248 123 G C 0.202 175.120 174.900 0.031 0.000 0.979 123 G CA 0.262 45.380 45.100 0.030 0.000 0.650 123 G HN 0.158 nan 8.290 nan 0.000 0.529 124 K N -0.515 119.900 120.400 0.026 0.000 2.209 124 K HA 0.675 4.995 4.320 -0.001 0.000 0.238 124 K C 0.722 177.333 176.600 0.019 0.000 1.028 124 K CA -0.973 55.318 56.287 0.007 0.000 0.935 124 K CB 1.058 33.551 32.500 -0.011 0.000 1.162 124 K HN 0.154 nan 8.250 nan 0.000 0.485 125 I N 2.239 122.781 120.570 -0.046 0.000 2.517 125 I HA -0.063 4.106 4.170 -0.001 0.000 0.285 125 I C -0.077 176.034 176.117 -0.009 0.000 1.106 125 I CA -0.093 61.159 61.300 -0.080 0.000 1.402 125 I CB -0.073 37.703 38.000 -0.373 0.000 1.399 125 I HN 0.420 nan 8.210 nan 0.000 0.535 126 Y N 7.734 128.024 120.300 -0.015 0.000 2.526 126 Y HA 0.130 4.680 4.550 -0.001 0.000 0.330 126 Y C -0.179 175.728 175.900 0.011 0.000 1.156 126 Y CA -0.104 58.004 58.100 0.014 0.000 1.419 126 Y CB 0.341 38.832 38.460 0.052 0.000 1.250 126 Y HN 0.499 nan 8.280 nan 0.000 0.540 127 Q N 6.728 126.121 119.800 -0.679 0.000 2.353 127 Q HA 0.471 4.810 4.340 -0.001 0.000 0.268 127 Q C -0.924 174.664 176.000 -0.686 0.000 1.045 127 Q CA -1.152 54.335 55.803 -0.528 0.000 0.811 127 Q CB 2.421 31.008 28.738 -0.252 0.000 1.305 127 Q HN 0.770 nan 8.270 nan 0.000 0.447 128 R N 0.175 120.453 120.500 -0.370 0.000 2.856 128 R HA 0.861 5.200 4.340 -0.001 0.000 0.258 128 R C -0.670 175.668 176.300 0.064 0.000 1.066 128 R CA -0.878 55.165 56.100 -0.096 0.000 1.045 128 R CB 0.879 31.233 30.300 0.089 0.000 1.178 128 R HN 0.511 nan 8.270 nan 0.000 0.499 129 A N 0.807 123.702 122.820 0.125 0.000 2.332 129 A HA 0.565 4.885 4.320 -0.001 0.000 0.258 129 A C -0.998 176.688 177.584 0.169 0.000 1.087 129 A CA -0.092 51.926 52.037 -0.031 0.000 0.802 129 A CB 0.133 19.077 19.000 -0.093 0.000 1.042 129 A HN 0.545 nan 8.150 nan 0.000 0.489 130 F N -1.113 118.767 119.950 -0.117 0.000 2.686 130 F HA 0.539 5.065 4.527 -0.001 0.000 0.311 130 F C 0.731 176.476 175.800 -0.093 0.000 1.128 130 F CA -0.025 57.926 58.000 -0.082 0.000 0.946 130 F CB 1.563 40.521 39.000 -0.070 0.000 1.336 130 F HN 0.813 nan 8.300 nan 0.000 0.457 131 G N 0.818 109.521 108.800 -0.161 0.000 2.313 131 G HA2 0.414 4.374 3.960 -0.001 0.000 0.250 131 G HA3 0.414 4.374 3.960 -0.001 0.000 0.250 131 G C 0.780 175.643 174.900 -0.061 0.000 1.281 131 G CA 0.433 45.444 45.100 -0.148 0.000 0.917 131 G HN 1.718 nan 8.290 nan 0.000 0.501 132 G N 1.292 110.049 108.800 -0.072 0.000 2.143 132 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.248 132 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.248 132 G C 0.244 175.222 174.900 0.129 0.000 0.991 132 G CA 0.473 45.579 45.100 0.011 0.000 0.689 132 G HN 0.854 nan 8.290 nan 0.000 0.522 133 Q N 0.184 120.035 119.800 0.086 0.000 2.333 133 Q HA 0.649 4.988 4.340 -0.001 0.000 0.267 133 Q C 0.025 176.051 176.000 0.043 0.000 1.012 133 Q CA 0.010 55.862 55.803 0.081 0.000 0.824 133 Q CB 2.119 30.880 28.738 0.040 0.000 1.290 133 Q HN 0.648 nan 8.270 nan 0.000 0.449 134 S N 1.937 117.672 115.700 0.058 0.000 2.697 134 S HA 0.746 5.215 4.470 -0.001 0.000 0.289 134 S C -0.735 173.818 174.600 -0.079 0.000 1.149 134 S CA -0.853 57.339 58.200 -0.012 0.000 0.850 134 S CB 1.063 64.264 63.200 0.002 0.000 1.151 134 S HN 0.478 nan 8.310 nan 0.000 0.491 135 L N 0.955 122.034 121.223 -0.239 0.000 2.334 135 L HA 0.554 4.893 4.340 -0.001 0.000 0.270 135 L C -0.024 176.222 176.870 -1.040 0.000 1.018 135 L CA -0.963 53.518 54.840 -0.599 0.000 0.811 135 L CB 0.724 42.514 42.059 -0.448 0.000 1.271 135 L HN 0.771 nan 8.230 nan 0.000 0.443 136 Q N 2.085 120.531 119.800 -2.256 0.000 2.463 136 Q HA -0.247 4.093 4.340 -0.001 0.000 0.299 136 Q C -0.373 175.169 176.000 -0.764 0.000 1.353 136 Q CA 0.582 55.473 55.803 -1.521 0.000 0.828 136 Q CB -1.668 26.631 28.738 -0.731 0.000 1.157 136 Q HN 0.712 nan 8.270 nan 0.000 0.436 137 F N -1.121 118.347 119.950 -0.802 0.000 3.067 137 F HA -0.282 4.244 4.527 -0.001 0.000 0.279 137 F C 1.457 176.819 175.800 -0.730 0.000 0.945 137 F CA 1.798 59.344 58.000 -0.757 0.000 0.948 137 F CB -1.868 36.695 39.000 -0.728 0.000 0.898 137 F HN 0.584 nan 8.300 nan 0.000 0.746 138 G N -0.681 108.000 108.800 -0.199 0.000 2.179 138 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.260 138 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.260 138 G C 0.991 175.844 174.900 -0.077 0.000 0.977 138 G CA 0.551 45.650 45.100 -0.002 0.000 0.641 138 G HN 0.528 nan 8.290 nan 0.000 0.533 139 K N -0.209 120.093 120.400 -0.164 0.000 2.354 139 K HA 0.313 4.632 4.320 -0.001 0.000 0.194 139 K C 1.961 178.473 176.600 -0.146 0.000 1.045 139 K CA 0.535 56.745 56.287 -0.129 0.000 1.026 139 K CB 0.663 33.090 32.500 -0.122 0.000 0.866 139 K HN 0.298 nan 8.250 nan 0.000 0.530 140 G N 1.181 109.847 108.800 -0.222 0.000 3.707 140 G HA2 0.432 4.392 3.960 -0.001 0.000 0.286 140 G HA3 0.432 4.392 3.960 -0.001 0.000 0.286 140 G C 0.303 175.119 174.900 -0.140 0.000 1.112 140 G CA 0.136 45.113 45.100 -0.205 0.000 0.861 140 G HN 0.345 nan 8.290 nan 0.000 0.534 141 G N -0.194 108.550 108.800 -0.094 0.000 2.757 141 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.638 141 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.638 141 G C -0.282 174.586 174.900 -0.053 0.000 1.344 141 G CA -0.374 44.697 45.100 -0.049 0.000 0.855 141 G HN 0.692 nan 8.290 nan 0.000 0.537 142 Q N 0.176 119.955 119.800 -0.035 0.000 2.274 142 Q HA 0.582 4.922 4.340 -0.001 0.000 0.280 142 Q C 0.641 176.531 176.000 -0.183 0.000 1.047 142 Q CA 1.143 56.885 55.803 -0.101 0.000 0.907 142 Q CB 0.582 29.250 28.738 -0.116 0.000 1.171 142 Q HN 1.784 nan 8.270 nan 0.000 0.381 143 A N 4.898 127.603 122.820 -0.193 0.000 2.286 143 A HA 0.426 4.746 4.320 -0.001 0.000 0.286 143 A C -0.865 176.448 177.584 -0.451 0.000 1.097 143 A CA -0.428 51.514 52.037 -0.158 0.000 0.821 143 A CB 0.557 19.537 19.000 -0.033 0.000 1.076 143 A HN 0.894 nan 8.150 nan 0.000 0.490 144 H N 1.333 120.396 119.070 -0.011 0.000 2.541 144 H HA 0.277 4.832 4.556 -0.001 0.000 0.246 144 H C 0.181 175.452 175.328 -0.095 0.000 1.341 144 H CA -0.116 55.901 56.048 -0.052 0.000 1.469 144 H CB 0.531 30.254 29.762 -0.065 0.000 1.472 144 H HN 0.862 nan 8.280 nan 0.000 0.503 145 R N -0.271 120.182 120.500 -0.078 0.000 2.572 145 R HA 0.182 4.522 4.340 -0.001 0.000 0.370 145 R C -0.101 176.089 176.300 -0.182 0.000 1.005 145 R CA -0.212 55.812 56.100 -0.127 0.000 1.146 145 R CB -0.323 29.889 30.300 -0.146 0.000 1.390 145 R HN 0.171 nan 8.270 nan 0.000 0.553 146 C N 3.143 122.337 119.300 -0.177 0.000 2.345 146 C HA 0.454 4.914 4.460 -0.001 0.000 0.349 146 C C 0.654 175.540 174.990 -0.172 0.000 1.130 146 C CA -0.778 58.099 59.018 -0.236 0.000 1.574 146 C CB -1.560 25.989 27.740 -0.318 0.000 2.108 146 C HN 0.669 nan 8.230 nan 0.000 0.516 147 C N 5.625 124.843 119.300 -0.137 0.000 2.637 147 C HA 0.579 5.038 4.460 -0.001 0.000 0.418 147 C C 0.899 175.987 174.990 0.163 0.000 1.319 147 C CA -0.539 58.440 59.018 -0.066 0.000 1.949 147 C CB -1.956 25.652 27.740 -0.220 0.000 2.639 147 C HN 1.017 nan 8.230 nan 0.000 0.594 148 C N 0.761 120.248 119.300 0.313 0.000 3.291 148 C HA 0.808 5.268 4.460 -0.001 0.000 0.316 148 C C -0.772 174.451 174.990 0.387 0.000 1.391 148 C CA -0.670 58.554 59.018 0.343 0.000 1.394 148 C CB 0.605 28.488 27.740 0.239 0.000 1.744 148 C HN 0.594 nan 8.230 nan 0.000 0.461 149 V N 2.787 122.817 119.914 0.193 0.000 2.235 149 V HA 0.644 4.764 4.120 -0.001 0.000 0.266 149 V C 1.131 177.291 176.094 0.111 0.000 1.055 149 V CA 1.180 63.545 62.300 0.109 0.000 0.844 149 V CB -0.335 31.481 31.823 -0.011 0.000 1.097 149 V HN 2.132 nan 8.190 nan 0.000 0.453 150 A N 4.573 127.475 122.820 0.138 0.000 5.395 150 A HA -0.286 4.034 4.320 -0.001 0.000 0.324 150 A C 1.030 178.689 177.584 0.124 0.000 1.813 150 A CA 1.778 53.878 52.037 0.105 0.000 0.714 150 A CB -1.266 17.764 19.000 0.050 0.000 1.374 150 A HN 1.028 nan 8.150 nan 0.000 0.390 151 D N -0.126 120.327 120.400 0.088 0.000 2.670 151 D HA 0.359 4.998 4.640 -0.001 0.000 0.255 151 D C 0.465 176.806 176.300 0.069 0.000 1.286 151 D CA 0.124 54.181 54.000 0.095 0.000 0.830 151 D CB -0.248 40.603 40.800 0.085 0.000 1.065 151 D HN 0.611 nan 8.370 nan 0.000 0.486 152 R N -0.242 120.296 120.500 0.064 0.000 2.698 152 R HA 0.228 4.567 4.340 -0.001 0.000 0.422 152 R C 0.485 176.842 176.300 0.095 0.000 1.073 152 R CA -0.226 55.911 56.100 0.062 0.000 1.054 152 R CB 0.241 30.548 30.300 0.012 0.000 1.373 152 R HN -0.072 nan 8.270 nan 0.000 0.593 153 T N 0.145 114.744 114.554 0.076 0.000 2.720 153 T HA -0.142 4.207 4.350 -0.001 0.000 0.268 153 T C 2.013 176.736 174.700 0.039 0.000 1.037 153 T CA 1.948 64.074 62.100 0.044 0.000 1.144 153 T CB -0.045 68.858 68.868 0.059 0.000 0.864 153 T HN 0.588 nan 8.240 nan 0.000 0.444 154 G N 1.055 109.888 108.800 0.056 0.000 2.433 154 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.216 154 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.216 154 G C 1.351 176.295 174.900 0.073 0.000 1.186 154 G CA 0.950 46.073 45.100 0.039 0.000 0.779 154 G HN 0.601 nan 8.290 nan 0.000 0.543 155 H N 0.886 119.974 119.070 0.030 0.000 2.319 155 H HA -0.086 4.470 4.556 -0.001 0.000 0.297 155 H C 2.526 177.947 175.328 0.155 0.000 1.097 155 H CA 1.880 57.996 56.048 0.114 0.000 1.285 155 H CB -0.221 29.603 29.762 0.103 0.000 1.368 155 H HN 0.309 nan 8.280 nan 0.000 0.495 156 S N 0.682 116.453 115.700 0.118 0.000 2.387 156 S HA -0.069 4.401 4.470 -0.001 0.000 0.226 156 S C 2.347 176.920 174.600 -0.045 0.000 1.026 156 S CA 0.738 58.938 58.200 0.000 0.000 0.972 156 S CB -0.216 62.965 63.200 -0.031 0.000 0.814 156 S HN 0.407 nan 8.310 nan 0.000 0.477 157 L N 0.966 122.163 121.223 -0.043 0.000 2.017 157 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 157 L C 2.206 179.082 176.870 0.009 0.000 1.073 157 L CA 1.320 56.151 54.840 -0.016 0.000 0.745 157 L CB -0.273 41.790 42.059 0.008 0.000 0.894 157 L HN 0.255 nan 8.230 nan 0.000 0.432 158 L N -0.685 120.517 121.223 -0.034 0.000 2.027 158 L HA -0.239 4.101 4.340 -0.001 0.000 0.206 158 L C 2.604 179.396 176.870 -0.129 0.000 1.074 158 L CA 1.808 56.594 54.840 -0.091 0.000 0.745 158 L CB -0.910 41.044 42.059 -0.175 0.000 0.898 158 L HN 0.351 nan 8.230 nan 0.000 0.433 159 H N -1.396 117.608 119.070 -0.110 0.000 2.423 159 H HA -0.079 4.476 4.556 -0.001 0.000 0.297 159 H C 1.975 177.301 175.328 -0.004 0.000 1.075 159 H CA 1.783 57.787 56.048 -0.074 0.000 1.342 159 H CB -0.155 29.466 29.762 -0.234 0.000 1.395 159 H HN 0.381 nan 8.280 nan 0.000 0.530 160 T N 1.227 115.828 114.554 0.078 0.000 2.737 160 T HA -0.052 4.297 4.350 -0.001 0.000 0.265 160 T C 2.439 177.157 174.700 0.031 0.000 1.038 160 T CA 0.528 62.664 62.100 0.060 0.000 1.144 160 T CB -0.217 68.695 68.868 0.074 0.000 0.866 160 T HN 0.185 nan 8.240 nan 0.000 0.434 161 L N -0.285 120.987 121.223 0.082 0.000 2.093 161 L HA -0.074 4.266 4.340 -0.001 0.000 0.208 161 L C 2.411 179.299 176.870 0.031 0.000 1.085 161 L CA 1.403 56.313 54.840 0.117 0.000 0.755 161 L CB -0.507 41.688 42.059 0.227 0.000 0.904 161 L HN 0.284 nan 8.230 nan 0.000 0.435 162 Y N 0.855 121.100 120.300 -0.091 0.000 2.181 162 Y HA -0.153 4.397 4.550 -0.001 0.000 0.288 162 Y C 2.291 178.093 175.900 -0.163 0.000 1.146 162 Y CA 1.422 59.426 58.100 -0.160 0.000 1.164 162 Y CB -0.655 37.676 38.460 -0.215 0.000 0.982 162 Y HN 0.052 nan 8.280 nan 0.000 0.515 163 G N -0.138 108.526 108.800 -0.227 0.000 2.418 163 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.217 163 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.217 163 G C 1.743 176.418 174.900 -0.375 0.000 1.158 163 G CA 0.971 45.895 45.100 -0.293 0.000 0.771 163 G HN 0.330 nan 8.290 nan 0.000 0.545 164 R N 1.520 121.773 120.500 -0.412 0.000 2.081 164 R HA -0.113 4.227 4.340 -0.001 0.000 0.235 164 R C 2.927 178.867 176.300 -0.601 0.000 1.131 164 R CA 2.033 57.767 56.100 -0.609 0.000 0.960 164 R CB -0.759 28.944 30.300 -0.995 0.000 0.856 164 R HN 0.402 nan 8.270 nan 0.000 0.436 165 S N 0.032 115.405 115.700 -0.545 0.000 2.440 165 S HA -0.124 4.345 4.470 -0.001 0.000 0.238 165 S C 1.885 176.383 174.600 -0.170 0.000 1.010 165 S CA 1.251 59.315 58.200 -0.227 0.000 0.972 165 S CB -0.523 62.647 63.200 -0.051 0.000 0.774 165 S HN 0.415 nan 8.310 nan 0.000 0.501 166 L N 0.402 121.399 121.223 -0.377 0.000 2.456 166 L HA 0.080 4.419 4.340 -0.001 0.000 0.224 166 L C 2.628 179.353 176.870 -0.241 0.000 1.148 166 L CA 0.714 55.360 54.840 -0.323 0.000 0.825 166 L CB -0.392 41.437 42.059 -0.382 0.000 0.937 166 L HN 0.340 nan 8.230 nan 0.000 0.450 167 R N -1.510 118.800 120.500 -0.317 0.000 2.297 167 R HA 0.094 4.433 4.340 -0.001 0.000 0.197 167 R C -0.306 175.635 176.300 -0.599 0.000 0.943 167 R CA 0.189 56.001 56.100 -0.481 0.000 1.038 167 R CB 0.188 30.077 30.300 -0.685 0.000 0.957 167 R HN 0.194 nan 8.270 nan 0.000 0.484 168 Y N 0.112 120.355 120.300 -0.096 0.000 2.602 168 Y HA 0.095 4.644 4.550 -0.001 0.000 0.330 168 Y C 0.997 176.914 175.900 0.028 0.000 1.114 168 Y CA -1.471 56.621 58.100 -0.013 0.000 1.182 168 Y CB 0.771 39.252 38.460 0.034 0.000 1.305 168 Y HN -0.026 nan 8.280 nan 0.000 0.502 169 D N -1.017 119.518 120.400 0.224 0.000 2.434 169 D HA 0.015 4.654 4.640 -0.001 0.000 0.232 169 D C -0.375 176.024 176.300 0.166 0.000 1.166 169 D CA -0.048 54.047 54.000 0.159 0.000 0.830 169 D CB -0.841 40.036 40.800 0.128 0.000 0.960 169 D HN 0.367 nan 8.370 nan 0.000 0.497 170 T N 0.715 115.382 114.554 0.189 0.000 2.934 170 T HA 0.092 4.441 4.350 -0.001 0.000 0.306 170 T C 0.337 175.035 174.700 -0.002 0.000 1.042 170 T CA 0.106 62.238 62.100 0.053 0.000 1.145 170 T CB 0.813 69.697 68.868 0.025 0.000 0.982 170 T HN 0.024 nan 8.240 nan 0.000 0.544 171 S N 2.592 118.217 115.700 -0.124 0.000 2.430 171 S HA 0.342 4.811 4.470 -0.001 0.000 0.289 171 S C -0.671 173.652 174.600 -0.460 0.000 1.143 171 S CA -0.619 57.500 58.200 -0.136 0.000 1.067 171 S CB -0.007 63.267 63.200 0.123 0.000 0.964 171 S HN 0.489 nan 8.310 nan 0.000 0.485 172 Y N 1.815 121.906 120.300 -0.347 0.000 2.320 172 Y HA 0.436 4.985 4.550 -0.001 0.000 0.334 172 Y C -0.269 175.208 175.900 -0.705 0.000 1.055 172 Y CA -0.881 57.007 58.100 -0.353 0.000 1.143 172 Y CB 0.676 39.031 38.460 -0.175 0.000 1.193 172 Y HN 0.550 nan 8.280 nan 0.000 0.477 173 F N 2.646 122.414 119.950 -0.303 0.000 2.359 173 F HA 0.396 4.922 4.527 -0.001 0.000 0.370 173 F C -0.493 175.145 175.800 -0.269 0.000 1.077 173 F CA -0.940 56.703 58.000 -0.596 0.000 1.136 173 F CB 0.611 38.892 39.000 -1.198 0.000 1.387 173 F HN 0.092 nan 8.300 nan 0.000 0.468 174 V N 2.696 122.680 119.914 0.118 0.000 2.498 174 V HA 0.182 4.302 4.120 -0.001 0.000 0.279 174 V C 0.361 176.698 176.094 0.405 0.000 1.048 174 V CA -0.633 61.817 62.300 0.250 0.000 0.967 174 V CB 0.970 32.939 31.823 0.244 0.000 0.988 174 V HN 0.781 nan 8.190 nan 0.000 0.473 175 E N 2.554 122.941 120.200 0.312 0.000 2.298 175 E HA -0.211 4.138 4.350 -0.001 0.000 0.235 175 E C -1.382 175.366 176.600 0.246 0.000 1.167 175 E CA 0.355 56.895 56.400 0.234 0.000 0.708 175 E CB -0.919 28.919 29.700 0.230 0.000 1.236 175 E HN 0.615 nan 8.360 nan 0.000 0.386 176 Y N -0.127 120.209 120.300 0.061 0.000 2.376 176 Y HA 0.462 5.011 4.550 -0.001 0.000 0.340 176 Y C -0.219 175.727 175.900 0.077 0.000 0.965 176 Y CA -1.147 56.997 58.100 0.074 0.000 1.078 176 Y CB 1.138 39.640 38.460 0.070 0.000 1.193 176 Y HN 0.186 nan 8.280 nan 0.000 0.452 177 F N 3.503 123.485 119.950 0.054 0.000 2.361 177 F HA 0.712 5.239 4.527 -0.001 0.000 0.364 177 F C 0.232 176.050 175.800 0.031 0.000 1.120 177 F CA -0.889 57.117 58.000 0.009 0.000 1.102 177 F CB 0.379 39.348 39.000 -0.052 0.000 1.183 177 F HN 0.611 nan 8.300 nan 0.000 0.476 178 A N 6.904 129.588 122.820 -0.226 0.000 2.450 178 A HA 0.363 4.682 4.320 -0.001 0.000 0.255 178 A C 0.287 177.831 177.584 -0.066 0.000 1.096 178 A CA -0.219 51.751 52.037 -0.112 0.000 0.778 178 A CB 0.302 19.192 19.000 -0.182 0.000 1.031 178 A HN 1.040 nan 8.150 nan 0.000 0.494 179 L N 0.970 122.246 121.223 0.088 0.000 2.388 179 L HA 0.314 4.654 4.340 -0.001 0.000 0.209 179 L C 0.064 176.967 176.870 0.056 0.000 1.061 179 L CA 0.383 55.300 54.840 0.127 0.000 0.834 179 L CB 0.089 42.228 42.059 0.133 0.000 1.029 179 L HN 0.585 nan 8.230 nan 0.000 0.473 180 D N -1.353 119.068 120.400 0.035 0.000 2.694 180 D HA 0.394 5.033 4.640 -0.001 0.000 0.260 180 D C -1.219 175.090 176.300 0.015 0.000 1.250 180 D CA -0.497 53.513 54.000 0.017 0.000 0.763 180 D CB 2.275 43.089 40.800 0.022 0.000 1.311 180 D HN -0.191 nan 8.370 nan 0.000 0.420 181 L N 0.684 121.910 121.223 0.004 0.000 2.399 181 L HA 0.412 4.752 4.340 -0.001 0.000 0.266 181 L C 0.181 177.062 176.870 0.018 0.000 1.114 181 L CA -0.641 54.203 54.840 0.006 0.000 0.804 181 L CB 0.650 42.705 42.059 -0.007 0.000 1.146 181 L HN 0.158 nan 8.230 nan 0.000 0.451 182 L N 3.977 125.216 121.223 0.027 0.000 2.288 182 L HA 0.325 4.664 4.340 -0.001 0.000 0.283 182 L C -0.190 176.692 176.870 0.020 0.000 1.072 182 L CA -0.131 54.726 54.840 0.028 0.000 0.862 182 L CB 0.542 42.626 42.059 0.042 0.000 1.245 182 L HN 0.497 nan 8.230 nan 0.000 0.432 183 M N 2.492 122.100 119.600 0.012 0.000 2.367 183 M HA 0.443 4.922 4.480 -0.001 0.000 0.339 183 M C -0.492 175.812 176.300 0.007 0.000 1.177 183 M CA -0.413 54.891 55.300 0.007 0.000 1.068 183 M CB 1.526 34.127 32.600 0.002 0.000 1.602 183 M HN 0.274 nan 8.290 nan 0.000 0.457 184 E N 1.307 121.510 120.200 0.005 0.000 2.349 184 E HA 0.325 4.675 4.350 -0.001 0.000 0.290 184 E C -0.969 175.632 176.600 0.001 0.000 0.901 184 E CA -0.029 56.374 56.400 0.004 0.000 0.800 184 E CB 0.650 30.355 29.700 0.007 0.000 1.303 184 E HN 0.761 nan 8.360 nan 0.000 0.397 185 N N 3.078 121.777 118.700 -0.002 0.000 2.747 185 N HA -0.268 4.471 4.740 -0.001 0.000 0.249 185 N C 0.586 176.092 175.510 -0.007 0.000 1.107 185 N CA 0.407 53.454 53.050 -0.005 0.000 0.707 185 N CB -0.861 37.624 38.487 -0.004 0.000 1.054 185 N HN 0.883 nan 8.380 nan 0.000 0.555 186 G N -0.535 108.261 108.800 -0.007 0.000 2.148 186 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.254 186 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.254 186 G C -0.263 174.628 174.900 -0.014 0.000 0.981 186 G CA 0.856 45.950 45.100 -0.010 0.000 0.670 186 G HN 0.606 nan 8.290 nan 0.000 0.528 187 E N -0.747 119.448 120.200 -0.009 0.000 2.195 187 E HA 0.509 4.858 4.350 -0.001 0.000 0.271 187 E C -0.167 176.432 176.600 -0.002 0.000 0.923 187 E CA -0.689 55.706 56.400 -0.008 0.000 0.790 187 E CB 2.208 31.907 29.700 -0.001 0.000 1.155 187 E HN 0.273 nan 8.360 nan 0.000 0.402 188 C N 2.537 121.836 119.300 -0.001 0.000 2.388 188 C HA 0.349 4.808 4.460 -0.001 0.000 0.362 188 C C 0.846 175.851 174.990 0.024 0.000 1.266 188 C CA -0.325 58.697 59.018 0.008 0.000 2.028 188 C CB -0.522 27.219 27.740 0.002 0.000 2.440 188 C HN 0.797 nan 8.230 nan 0.000 0.547 189 R N 3.498 124.016 120.500 0.030 0.000 2.565 189 R HA 0.397 4.737 4.340 -0.001 0.000 0.347 189 R C 0.643 176.979 176.300 0.060 0.000 1.010 189 R CA 0.481 56.607 56.100 0.043 0.000 1.126 189 R CB 0.667 30.990 30.300 0.037 0.000 1.331 189 R HN 1.049 nan 8.270 nan 0.000 0.552 190 G N 0.446 109.280 108.800 0.057 0.000 2.320 190 G HA2 0.087 4.046 3.960 -0.001 0.000 0.274 190 G HA3 0.087 4.046 3.960 -0.001 0.000 0.274 190 G C -1.512 173.429 174.900 0.069 0.000 1.324 190 G CA -0.309 44.839 45.100 0.080 0.000 0.957 190 G HN 0.173 nan 8.290 nan 0.000 0.481 191 V N -2.049 117.932 119.914 0.113 0.000 3.114 191 V HA 0.895 5.014 4.120 -0.001 0.000 0.308 191 V C -0.565 175.640 176.094 0.186 0.000 1.168 191 V CA -0.910 61.450 62.300 0.100 0.000 1.015 191 V CB 1.813 33.654 31.823 0.031 0.000 1.050 191 V HN 1.605 nan 8.190 nan 0.000 0.433 192 I N 2.697 123.354 120.570 0.146 0.000 2.493 192 I HA 0.939 5.108 4.170 -0.001 0.000 0.298 192 I C -0.036 176.200 176.117 0.199 0.000 0.998 192 I CA -0.335 61.068 61.300 0.173 0.000 1.137 192 I CB 1.588 39.647 38.000 0.098 0.000 1.310 192 I HN 1.298 nan 8.210 nan 0.000 0.445 193 A N 6.468 129.458 122.820 0.282 0.000 2.594 193 A HA 0.696 5.016 4.320 -0.001 0.000 0.291 193 A C -2.000 175.755 177.584 0.285 0.000 1.105 193 A CA -0.613 51.599 52.037 0.292 0.000 0.694 193 A CB 1.632 20.846 19.000 0.356 0.000 1.291 193 A HN 0.685 nan 8.150 nan 0.000 0.410 194 L N 0.708 122.063 121.223 0.220 0.000 2.307 194 L HA 0.651 4.990 4.340 -0.001 0.000 0.284 194 L C -0.241 176.596 176.870 -0.055 0.000 1.023 194 L CA -0.380 54.523 54.840 0.104 0.000 0.810 194 L CB 1.221 43.294 42.059 0.024 0.000 1.231 194 L HN 0.834 nan 8.230 nan 0.000 0.423 195 C N 6.615 125.789 119.300 -0.210 0.000 2.322 195 C HA 0.327 4.787 4.460 -0.001 0.000 0.343 195 C C 1.788 176.576 174.990 -0.336 0.000 1.190 195 C CA -0.558 58.032 59.018 -0.713 0.000 1.704 195 C CB -1.610 25.745 27.740 -0.642 0.000 2.293 195 C HN 0.970 nan 8.230 nan 0.000 0.523 196 I N 3.216 123.578 120.570 -0.348 0.000 2.361 196 I HA -0.148 4.022 4.170 -0.001 0.000 0.251 196 I C 2.516 178.460 176.117 -0.288 0.000 1.133 196 I CA 1.526 62.592 61.300 -0.390 0.000 1.413 196 I CB -0.299 37.312 38.000 -0.648 0.000 1.073 196 I HN 0.809 nan 8.210 nan 0.000 0.424 197 E N 1.168 121.315 120.200 -0.088 0.000 2.208 197 E HA -0.245 4.104 4.350 -0.001 0.000 0.193 197 E C 0.912 177.607 176.600 0.158 0.000 0.988 197 E CA 1.597 58.108 56.400 0.186 0.000 0.828 197 E CB 0.186 30.030 29.700 0.240 0.000 0.763 197 E HN 0.649 nan 8.360 nan 0.000 0.478 198 D N -2.480 117.967 120.400 0.077 0.000 2.525 198 D HA 0.122 4.762 4.640 -0.001 0.000 0.231 198 D C 1.060 177.411 176.300 0.084 0.000 1.216 198 D CA 0.530 54.590 54.000 0.100 0.000 0.813 198 D CB 0.308 41.182 40.800 0.123 0.000 1.108 198 D HN 0.215 nan 8.370 nan 0.000 0.524 199 G N 0.696 109.527 108.800 0.051 0.000 2.162 199 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.260 199 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.260 199 G C 0.528 175.505 174.900 0.128 0.000 0.976 199 G CA 0.792 45.938 45.100 0.076 0.000 0.655 199 G HN 0.848 nan 8.290 nan 0.000 0.533 200 T N -0.842 113.791 114.554 0.132 0.000 2.882 200 T HA 0.701 5.051 4.350 -0.001 0.000 0.287 200 T C 0.404 175.206 174.700 0.170 0.000 1.014 200 T CA -0.793 61.389 62.100 0.137 0.000 1.049 200 T CB 2.018 70.942 68.868 0.093 0.000 1.001 200 T HN 0.295 nan 8.240 nan 0.000 0.525 201 I N 2.369 122.986 120.570 0.079 0.000 2.359 201 I HA 0.335 4.504 4.170 -0.001 0.000 0.294 201 I C 0.460 176.566 176.117 -0.018 0.000 0.987 201 I CA -0.548 60.809 61.300 0.095 0.000 1.225 201 I CB 0.833 38.853 38.000 0.034 0.000 1.366 201 I HN 0.741 nan 8.210 nan 0.000 0.466 202 H N 5.869 124.997 119.070 0.096 0.000 2.637 202 H HA 0.500 5.055 4.556 -0.001 0.000 0.363 202 H C -0.574 174.718 175.328 -0.061 0.000 1.131 202 H CA -0.897 55.159 56.048 0.014 0.000 1.183 202 H CB 2.551 32.331 29.762 0.031 0.000 1.637 202 H HN 0.372 nan 8.280 nan 0.000 0.531 203 R N 2.406 122.878 120.500 -0.048 0.000 2.393 203 R HA 0.276 4.616 4.340 -0.001 0.000 0.315 203 R C -1.162 175.070 176.300 -0.113 0.000 0.952 203 R CA -0.672 55.420 56.100 -0.015 0.000 0.842 203 R CB 1.198 31.500 30.300 0.003 0.000 1.163 203 R HN 0.330 nan 8.270 nan 0.000 0.450 204 F N 2.934 122.946 119.950 0.103 0.000 2.334 204 F HA 0.408 4.934 4.527 -0.001 0.000 0.367 204 F C 0.747 176.600 175.800 0.088 0.000 1.115 204 F CA -0.665 57.388 58.000 0.089 0.000 1.116 204 F CB 1.024 39.966 39.000 -0.095 0.000 1.230 204 F HN 0.169 nan 8.300 nan 0.000 0.484 205 R N 2.509 123.146 120.500 0.229 0.000 2.349 205 R HA 0.878 5.218 4.340 -0.001 0.000 0.299 205 R C -0.666 175.744 176.300 0.183 0.000 1.027 205 R CA -0.749 55.444 56.100 0.155 0.000 0.958 205 R CB 1.504 31.858 30.300 0.090 0.000 1.047 205 R HN 0.722 nan 8.270 nan 0.000 0.468 206 A N 1.461 124.363 122.820 0.136 0.000 2.599 206 A HA 0.214 4.533 4.320 -0.001 0.000 0.294 206 A C -0.130 177.511 177.584 0.095 0.000 1.055 206 A CA -0.768 51.350 52.037 0.135 0.000 0.683 206 A CB 1.548 20.635 19.000 0.145 0.000 1.278 206 A HN 0.770 nan 8.150 nan 0.000 0.412 207 K N 0.062 120.519 120.400 0.096 0.000 2.211 207 K HA -0.020 4.300 4.320 -0.001 0.000 0.203 207 K C -0.228 176.417 176.600 0.074 0.000 1.050 207 K CA 0.972 57.308 56.287 0.081 0.000 0.945 207 K CB -0.017 32.540 32.500 0.094 0.000 0.732 207 K HN 0.643 nan 8.250 nan 0.000 0.451 208 N N 0.027 118.762 118.700 0.058 0.000 2.310 208 N HA 0.162 4.901 4.740 -0.001 0.000 0.292 208 N C -1.552 173.963 175.510 0.007 0.000 1.049 208 N CA -0.304 52.772 53.050 0.044 0.000 0.849 208 N CB 2.399 40.860 38.487 -0.043 0.000 1.532 208 N HN -0.200 nan 8.380 nan 0.000 0.479 209 T N 0.763 115.346 114.554 0.048 0.000 2.824 209 T HA 0.435 4.785 4.350 -0.001 0.000 0.282 209 T C -0.271 174.445 174.700 0.026 0.000 0.993 209 T CA -0.435 61.665 62.100 -0.000 0.000 0.967 209 T CB 1.689 70.558 68.868 0.001 0.000 0.960 209 T HN 0.066 nan 8.240 nan 0.000 0.441 210 V N 4.825 124.706 119.914 -0.054 0.000 2.384 210 V HA 0.475 4.595 4.120 -0.001 0.000 0.287 210 V C -0.097 175.957 176.094 -0.067 0.000 1.020 210 V CA -0.813 61.463 62.300 -0.040 0.000 0.850 210 V CB 1.345 33.094 31.823 -0.123 0.000 0.987 210 V HN 0.808 nan 8.190 nan 0.000 0.436 211 I N 4.265 124.810 120.570 -0.041 0.000 2.304 211 I HA 0.561 4.730 4.170 -0.001 0.000 0.291 211 I C 0.586 176.669 176.117 -0.058 0.000 1.018 211 I CA -0.139 61.122 61.300 -0.065 0.000 1.260 211 I CB 1.507 39.470 38.000 -0.062 0.000 1.390 211 I HN 0.725 nan 8.210 nan 0.000 0.475 212 A N 3.637 126.414 122.820 -0.070 0.000 2.992 212 A HA 0.228 4.547 4.320 -0.001 0.000 0.263 212 A C 0.866 178.418 177.584 -0.054 0.000 0.928 212 A CA -0.336 51.670 52.037 -0.051 0.000 1.061 212 A CB -0.367 18.600 19.000 -0.054 0.000 1.173 212 A HN 0.723 nan 8.150 nan 0.000 0.482 213 T N -2.799 111.716 114.554 -0.064 0.000 3.129 213 T HA 0.456 4.805 4.350 -0.001 0.000 0.251 213 T C 1.180 175.851 174.700 -0.047 0.000 1.117 213 T CA 0.819 62.876 62.100 -0.072 0.000 1.034 213 T CB -0.288 68.520 68.868 -0.101 0.000 0.968 213 T HN 2.050 nan 8.240 nan 0.000 0.526 214 G N -0.012 108.771 108.800 -0.029 0.000 2.725 214 G HA2 0.245 4.205 3.960 -0.001 0.000 0.220 214 G HA3 0.245 4.205 3.960 -0.001 0.000 0.220 214 G C 0.057 174.928 174.900 -0.049 0.000 1.357 214 G CA -0.567 44.516 45.100 -0.028 0.000 0.866 214 G HN 0.871 nan 8.290 nan 0.000 0.548 215 G N -1.950 106.787 108.800 -0.105 0.000 2.606 215 G HA2 0.736 4.695 3.960 -0.001 0.000 0.262 215 G HA3 0.736 4.695 3.960 -0.001 0.000 0.262 215 G C 0.026 174.900 174.900 -0.044 0.000 1.394 215 G CA 0.366 45.374 45.100 -0.153 0.000 1.044 215 G HN 1.967 nan 8.290 nan 0.000 0.553 216 Y N -2.364 117.849 120.300 -0.146 0.000 2.658 216 Y HA 0.504 5.054 4.550 -0.001 0.000 0.273 216 Y C 1.398 177.264 175.900 -0.057 0.000 0.992 216 Y CA -0.544 57.504 58.100 -0.086 0.000 1.105 216 Y CB 0.189 38.616 38.460 -0.054 0.000 1.188 216 Y HN 0.495 nan 8.280 nan 0.000 0.616 217 G N 1.140 109.788 108.800 -0.254 0.000 2.470 217 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.220 217 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.220 217 G C 1.658 176.553 174.900 -0.009 0.000 1.121 217 G CA 0.225 45.206 45.100 -0.198 0.000 0.766 217 G HN 0.253 nan 8.290 nan 0.000 0.553 218 R N 0.675 121.174 120.500 -0.001 0.000 2.357 218 R HA -0.041 4.298 4.340 -0.001 0.000 0.202 218 R C 2.627 178.991 176.300 0.107 0.000 1.047 218 R CA 1.276 57.398 56.100 0.037 0.000 1.034 218 R CB -0.894 29.421 30.300 0.025 0.000 0.875 218 R HN 0.578 nan 8.270 nan 0.000 0.473 219 T N -2.864 111.788 114.554 0.164 0.000 3.007 219 T HA -0.057 4.293 4.350 -0.001 0.000 0.270 219 T C 0.812 175.516 174.700 0.006 0.000 1.107 219 T CA 0.664 62.830 62.100 0.109 0.000 1.118 219 T CB -0.169 68.787 68.868 0.147 0.000 0.889 219 T HN -0.004 nan 8.240 nan 0.000 0.506 220 Y N -0.622 119.721 120.300 0.072 0.000 2.392 220 Y HA 0.488 5.038 4.550 -0.001 0.000 0.323 220 Y C 0.958 176.936 175.900 0.131 0.000 1.291 220 Y CA -1.924 56.240 58.100 0.106 0.000 1.345 220 Y CB 0.609 39.106 38.460 0.062 0.000 1.320 220 Y HN -0.046 nan 8.280 nan 0.000 0.518 221 F N -0.048 120.023 119.950 0.202 0.000 2.270 221 F HA 0.101 4.628 4.527 -0.001 0.000 0.295 221 F C 0.891 176.753 175.800 0.104 0.000 1.087 221 F CA 0.769 58.843 58.000 0.122 0.000 1.365 221 F CB 0.175 39.239 39.000 0.106 0.000 1.056 221 F HN 0.263 nan 8.300 nan 0.000 0.506 222 S N 0.481 116.256 115.700 0.126 0.000 2.519 222 S HA 0.650 5.119 4.470 -0.001 0.000 0.309 222 S C -0.907 173.697 174.600 0.007 0.000 1.100 222 S CA -0.400 57.788 58.200 -0.020 0.000 1.059 222 S CB 0.308 63.558 63.200 0.085 0.000 1.008 222 S HN 0.457 nan 8.310 nan 0.000 0.478 223 C N 2.108 121.364 119.300 -0.074 0.000 3.239 223 C HA 0.673 5.133 4.460 -0.001 0.000 0.329 223 C C 1.390 176.319 174.990 -0.102 0.000 1.252 223 C CA -0.048 58.918 59.018 -0.085 0.000 1.323 223 C CB 0.565 28.243 27.740 -0.103 0.000 1.663 223 C HN 0.847 nan 8.230 nan 0.000 0.487 224 T N -0.861 113.662 114.554 -0.052 0.000 3.088 224 T HA 0.121 4.471 4.350 -0.001 0.000 0.259 224 T C 0.701 175.376 174.700 -0.042 0.000 1.122 224 T CA 0.769 62.862 62.100 -0.011 0.000 1.095 224 T CB -0.428 68.535 68.868 0.159 0.000 0.930 224 T HN 0.865 nan 8.240 nan 0.000 0.508 225 S N 2.030 117.617 115.700 -0.188 0.000 2.573 225 S HA 0.555 5.024 4.470 -0.001 0.000 0.277 225 S C 0.751 175.161 174.600 -0.316 0.000 1.346 225 S CA -0.475 57.473 58.200 -0.420 0.000 1.034 225 S CB 0.452 63.405 63.200 -0.411 0.000 0.879 225 S HN 0.782 nan 8.310 nan 0.000 0.528 226 A N 1.653 124.279 122.820 -0.323 0.000 2.406 226 A HA 0.181 4.500 4.320 -0.001 0.000 0.243 226 A C 1.128 178.612 177.584 -0.167 0.000 1.082 226 A CA -0.224 51.748 52.037 -0.108 0.000 0.786 226 A CB -0.148 18.900 19.000 0.079 0.000 1.029 226 A HN 0.986 nan 8.150 nan 0.000 0.495 227 H N 0.625 119.698 119.070 0.006 0.000 2.489 227 H HA -0.096 4.460 4.556 -0.001 0.000 0.293 227 H C 1.949 177.292 175.328 0.026 0.000 1.066 227 H CA 2.041 58.097 56.048 0.013 0.000 1.305 227 H CB -0.200 29.581 29.762 0.033 0.000 1.386 227 H HN 0.826 nan 8.280 nan 0.000 0.551 228 T N -2.053 112.575 114.554 0.124 0.000 3.129 228 T HA 0.069 4.419 4.350 -0.001 0.000 0.251 228 T C 0.916 175.639 174.700 0.038 0.000 1.117 228 T CA -0.226 61.933 62.100 0.099 0.000 1.034 228 T CB -0.066 68.867 68.868 0.108 0.000 0.968 228 T HN -0.053 nan 8.240 nan 0.000 0.526 229 S N 3.059 118.743 115.700 -0.027 0.000 3.483 229 S HA 0.283 4.752 4.470 -0.001 0.000 0.274 229 S C 1.052 175.650 174.600 -0.002 0.000 1.289 229 S CA -0.497 57.662 58.200 -0.068 0.000 0.938 229 S CB -0.037 63.034 63.200 -0.215 0.000 1.453 229 S HN 0.714 nan 8.310 nan 0.000 0.494 230 T N -1.714 112.866 114.554 0.042 0.000 3.182 230 T HA 0.399 4.748 4.350 -0.001 0.000 0.277 230 T C 1.240 175.992 174.700 0.087 0.000 1.013 230 T CA 0.028 62.179 62.100 0.085 0.000 0.900 230 T CB 0.122 69.053 68.868 0.104 0.000 1.098 230 T HN 0.674 nan 8.240 nan 0.000 0.543 231 G N 2.255 111.111 108.800 0.093 0.000 2.321 231 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.287 231 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.287 231 G C 0.480 175.366 174.900 -0.023 0.000 1.018 231 G CA 0.401 45.539 45.100 0.064 0.000 0.855 231 G HN 0.526 nan 8.290 nan 0.000 0.507 232 D N -0.003 120.370 120.400 -0.044 0.000 2.149 232 D HA -0.075 4.564 4.640 -0.001 0.000 0.198 232 D C 2.403 178.636 176.300 -0.111 0.000 0.990 232 D CA 1.691 55.633 54.000 -0.096 0.000 0.839 232 D CB -0.614 40.038 40.800 -0.245 0.000 0.948 232 D HN 0.561 nan 8.370 nan 0.000 0.460 233 G N -0.007 108.730 108.800 -0.105 0.000 2.408 233 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.215 233 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.215 233 G C 1.670 176.520 174.900 -0.084 0.000 1.156 233 G CA 1.126 46.167 45.100 -0.097 0.000 0.793 233 G HN 0.229 nan 8.290 nan 0.000 0.535 234 T N 1.831 116.336 114.554 -0.081 0.000 2.746 234 T HA 0.006 4.356 4.350 -0.001 0.000 0.267 234 T C 2.772 177.404 174.700 -0.113 0.000 1.039 234 T CA 1.416 63.454 62.100 -0.103 0.000 1.142 234 T CB -0.297 68.491 68.868 -0.133 0.000 0.866 234 T HN 0.341 nan 8.240 nan 0.000 0.444 235 A N 1.412 124.173 122.820 -0.099 0.000 1.930 235 A HA 0.036 4.355 4.320 -0.001 0.000 0.217 235 A C 2.357 179.910 177.584 -0.051 0.000 1.175 235 A CA 1.211 53.203 52.037 -0.074 0.000 0.627 235 A CB -0.653 18.322 19.000 -0.043 0.000 0.815 235 A HN 0.433 nan 8.150 nan 0.000 0.443 236 M N -0.837 118.731 119.600 -0.053 0.000 2.117 236 M HA -0.125 4.355 4.480 -0.001 0.000 0.262 236 M C 2.125 178.398 176.300 -0.044 0.000 1.065 236 M CA 1.305 56.581 55.300 -0.041 0.000 1.114 236 M CB -0.465 32.105 32.600 -0.050 0.000 1.361 236 M HN 0.262 nan 8.290 nan 0.000 0.408 237 V N 0.074 119.951 119.914 -0.062 0.000 2.295 237 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 237 V C 2.335 178.390 176.094 -0.064 0.000 1.049 237 V CA 2.230 64.490 62.300 -0.067 0.000 1.024 237 V CB -0.909 30.861 31.823 -0.088 0.000 0.648 237 V HN 0.497 nan 8.190 nan 0.000 0.447 238 T N -0.523 113.985 114.554 -0.077 0.000 2.720 238 T HA -0.216 4.134 4.350 -0.001 0.000 0.268 238 T C 2.034 176.716 174.700 -0.030 0.000 1.037 238 T CA 1.457 63.514 62.100 -0.071 0.000 1.144 238 T CB -0.263 68.550 68.868 -0.092 0.000 0.864 238 T HN 0.383 nan 8.240 nan 0.000 0.444 239 R N 0.696 121.182 120.500 -0.023 0.000 2.189 239 R HA 0.117 4.457 4.340 -0.001 0.000 0.223 239 R C 2.321 178.621 176.300 0.001 0.000 1.092 239 R CA 0.906 57.004 56.100 -0.003 0.000 0.989 239 R CB -0.185 30.117 30.300 0.004 0.000 0.876 239 R HN 0.304 nan 8.270 nan 0.000 0.457 240 A N -0.053 122.763 122.820 -0.006 0.000 2.238 240 A HA 0.203 4.522 4.320 -0.001 0.000 0.208 240 A C 1.307 178.898 177.584 0.012 0.000 1.177 240 A CA 0.722 52.759 52.037 -0.001 0.000 0.804 240 A CB -0.070 18.924 19.000 -0.009 0.000 0.823 240 A HN 0.424 nan 8.150 nan 0.000 0.482 241 G N -1.332 107.483 108.800 0.025 0.000 2.143 241 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.249 241 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.249 241 G C 0.094 175.067 174.900 0.121 0.000 0.981 241 G CA 0.428 45.569 45.100 0.069 0.000 0.665 241 G HN 0.439 nan 8.290 nan 0.000 0.528 242 L N 1.498 122.747 121.223 0.044 0.000 2.399 242 L HA 0.557 4.897 4.340 -0.001 0.000 0.265 242 L C -1.448 175.327 176.870 -0.158 0.000 1.089 242 L CA -2.260 52.584 54.840 0.005 0.000 0.802 242 L CB 1.290 43.324 42.059 -0.041 0.000 1.180 242 L HN -0.021 nan 8.230 nan 0.000 0.454 243 P HA 0.217 nan 4.420 nan 0.000 0.284 243 P C -1.173 175.910 177.300 -0.361 0.000 1.258 243 P CA -0.540 62.162 63.100 -0.664 0.000 0.824 243 P CB 1.578 32.777 31.700 -0.835 0.000 1.038 244 C N 1.109 120.204 119.300 -0.340 0.000 2.345 244 C HA 0.600 5.059 4.460 -0.001 0.000 0.370 244 C C 0.248 175.122 174.990 -0.192 0.000 1.209 244 C CA -0.005 58.884 59.018 -0.215 0.000 2.133 244 C CB 1.187 28.818 27.740 -0.180 0.000 2.293 244 C HN 0.611 nan 8.230 nan 0.000 0.544 245 Q N 0.436 120.165 119.800 -0.118 0.000 2.347 245 Q HA 0.285 4.625 4.340 -0.001 0.000 0.271 245 Q C -0.995 175.028 176.000 0.039 0.000 1.064 245 Q CA -0.286 55.475 55.803 -0.070 0.000 0.800 245 Q CB 1.103 29.759 28.738 -0.138 0.000 1.304 245 Q HN 0.801 nan 8.270 nan 0.000 0.438 246 D N 2.922 123.409 120.400 0.145 0.000 2.811 246 D HA -0.221 4.419 4.640 -0.001 0.000 0.231 246 D C 0.763 177.256 176.300 0.321 0.000 1.157 246 D CA 0.911 55.116 54.000 0.341 0.000 0.716 246 D CB -0.875 40.132 40.800 0.346 0.000 1.077 246 D HN 0.687 nan 8.370 nan 0.000 0.428 247 L N 0.405 121.730 121.223 0.170 0.000 2.265 247 L HA -0.176 4.164 4.340 -0.001 0.000 0.215 247 L C 2.549 179.513 176.870 0.155 0.000 1.117 247 L CA 1.475 56.422 54.840 0.180 0.000 0.782 247 L CB -0.383 41.726 42.059 0.082 0.000 0.914 247 L HN 0.226 nan 8.230 nan 0.000 0.441 248 E N 0.433 120.642 120.200 0.016 0.000 2.478 248 E HA -0.173 4.176 4.350 -0.001 0.000 0.198 248 E C 0.166 176.594 176.600 -0.287 0.000 1.046 248 E CA 0.413 56.706 56.400 -0.178 0.000 0.870 248 E CB -0.288 29.142 29.700 -0.450 0.000 0.818 248 E HN 0.332 nan 8.360 nan 0.000 0.527 249 F N 1.796 121.778 119.950 0.053 0.000 2.406 249 F HA 0.215 4.741 4.527 -0.001 0.000 0.358 249 F C -0.112 175.707 175.800 0.031 0.000 1.161 249 F CA -0.625 57.418 58.000 0.071 0.000 1.185 249 F CB 1.035 40.085 39.000 0.083 0.000 1.421 249 F HN -0.286 nan 8.300 nan 0.000 0.576 250 V N 3.479 123.452 119.914 0.097 0.000 2.370 250 V HA 0.239 4.358 4.120 -0.001 0.000 0.283 250 V C -0.044 175.932 176.094 -0.196 0.000 1.023 250 V CA -0.931 61.294 62.300 -0.124 0.000 0.857 250 V CB 1.500 33.155 31.823 -0.280 0.000 0.985 250 V HN 0.595 nan 8.190 nan 0.000 0.443 251 Q N 3.898 123.601 119.800 -0.160 0.000 2.295 251 Q HA 0.409 4.748 4.340 -0.001 0.000 0.259 251 Q C -1.479 174.366 176.000 -0.259 0.000 0.976 251 Q CA -0.289 55.475 55.803 -0.065 0.000 0.923 251 Q CB 0.607 29.424 28.738 0.131 0.000 1.185 251 Q HN 0.609 nan 8.270 nan 0.000 0.410 252 F N 3.307 123.243 119.950 -0.023 0.000 2.405 252 F HA 0.216 4.743 4.527 -0.001 0.000 0.355 252 F C 0.500 176.286 175.800 -0.024 0.000 1.121 252 F CA -0.726 57.250 58.000 -0.039 0.000 1.112 252 F CB 0.831 39.779 39.000 -0.086 0.000 1.126 252 F HN 0.554 nan 8.300 nan 0.000 0.481 253 H N 5.552 124.623 119.070 0.002 0.000 2.610 253 H HA 0.168 4.724 4.556 -0.001 0.000 0.336 253 H C -1.890 173.397 175.328 -0.068 0.000 1.087 253 H CA -1.999 53.956 56.048 -0.154 0.000 1.405 253 H CB 1.886 31.357 29.762 -0.486 0.000 1.460 253 H HN 0.315 nan 8.280 nan 0.000 0.538 254 P HA -0.102 nan 4.420 nan 0.000 0.216 254 P C 0.216 177.598 177.300 0.137 0.000 1.150 254 P CA 1.696 64.796 63.100 -0.000 0.000 0.837 254 P CB 0.187 31.808 31.700 -0.132 0.000 0.786 255 T N -3.078 111.672 114.554 0.327 0.000 3.331 255 T HA 0.622 4.971 4.350 -0.001 0.000 0.381 255 T C 0.317 175.047 174.700 0.049 0.000 1.656 255 T CA -0.886 61.320 62.100 0.177 0.000 1.453 255 T CB 0.161 69.108 68.868 0.133 0.000 1.066 255 T HN -0.027 nan 8.240 nan 0.000 0.655 256 G N 1.922 110.745 108.800 0.038 0.000 2.377 256 G HA2 0.595 4.555 3.960 -0.001 0.000 0.299 256 G HA3 0.595 4.555 3.960 -0.001 0.000 0.299 256 G C -0.266 174.640 174.900 0.010 0.000 1.150 256 G CA -1.012 44.069 45.100 -0.031 0.000 0.847 256 G HN 0.844 nan 8.290 nan 0.000 0.501 257 I N 1.440 121.998 120.570 -0.020 0.000 2.648 257 I HA 0.083 4.252 4.170 -0.001 0.000 0.284 257 I C 0.125 176.260 176.117 0.029 0.000 1.153 257 I CA -0.677 60.635 61.300 0.020 0.000 1.426 257 I CB 0.428 38.430 38.000 0.003 0.000 1.381 257 I HN 0.535 nan 8.210 nan 0.000 0.571 258 Y N 7.764 128.022 120.300 -0.070 0.000 2.721 258 Y HA 0.274 4.824 4.550 -0.001 0.000 0.329 258 Y C 0.897 176.772 175.900 -0.041 0.000 1.211 258 Y CA 1.164 59.207 58.100 -0.096 0.000 1.512 258 Y CB 0.143 38.408 38.460 -0.325 0.000 1.249 258 Y HN 0.859 nan 8.280 nan 0.000 0.549 259 G N 3.925 112.305 108.800 -0.701 0.000 4.257 259 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.270 259 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.270 259 G C 1.212 175.974 174.900 -0.229 0.000 1.717 259 G CA 0.471 45.282 45.100 -0.482 0.000 1.170 259 G HN 1.402 nan 8.290 nan 0.000 0.642 260 A N 0.129 122.863 122.820 -0.142 0.000 1.948 260 A HA 0.361 4.681 4.320 -0.001 0.000 0.220 260 A C 3.246 180.701 177.584 -0.215 0.000 1.177 260 A CA 3.547 55.484 52.037 -0.167 0.000 0.636 260 A CB -1.016 17.828 19.000 -0.261 0.000 0.815 260 A HN 2.945 nan 8.150 nan 0.000 0.449 261 G N -2.910 105.781 108.800 -0.182 0.000 2.217 261 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.246 261 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.246 261 G C 0.360 175.162 174.900 -0.163 0.000 0.990 261 G CA 0.086 45.097 45.100 -0.148 0.000 0.627 261 G HN 0.882 nan 8.290 nan 0.000 0.522 262 C N 1.261 120.411 119.300 -0.250 0.000 2.563 262 C HA 0.425 4.885 4.460 -0.001 0.000 0.411 262 C C 1.324 176.220 174.990 -0.157 0.000 1.386 262 C CA -0.054 58.814 59.018 -0.250 0.000 1.703 262 C CB -0.423 27.063 27.740 -0.424 0.000 2.596 262 C HN 0.715 nan 8.230 nan 0.000 0.605 263 L N 5.005 126.151 121.223 -0.129 0.000 2.453 263 L HA 0.370 4.709 4.340 -0.001 0.000 0.272 263 L C -0.248 176.546 176.870 -0.127 0.000 1.182 263 L CA 0.735 55.472 54.840 -0.172 0.000 0.858 263 L CB 0.087 42.046 42.059 -0.167 0.000 1.120 263 L HN 0.481 nan 8.230 nan 0.000 0.474 264 I N 4.701 125.191 120.570 -0.133 0.000 2.382 264 I HA 0.143 4.312 4.170 -0.001 0.000 0.285 264 I C 0.475 176.571 176.117 -0.034 0.000 1.007 264 I CA -0.264 61.011 61.300 -0.041 0.000 1.142 264 I CB 1.038 39.041 38.000 0.006 0.000 1.289 264 I HN 0.638 nan 8.210 nan 0.000 0.453 265 T N 3.995 118.555 114.554 0.009 0.000 2.937 265 T HA -0.067 4.283 4.350 -0.001 0.000 0.316 265 T C 1.300 176.034 174.700 0.057 0.000 1.079 265 T CA 0.314 62.455 62.100 0.068 0.000 1.131 265 T CB 0.440 69.386 68.868 0.131 0.000 1.000 265 T HN 0.762 nan 8.240 nan 0.000 0.549 266 E N 2.469 122.691 120.200 0.037 0.000 2.409 266 E HA -0.017 4.332 4.350 -0.001 0.000 0.198 266 E C 1.995 178.347 176.600 -0.413 0.000 1.024 266 E CA 1.053 57.284 56.400 -0.281 0.000 0.861 266 E CB -0.720 28.625 29.700 -0.593 0.000 0.788 266 E HN 0.900 nan 8.360 nan 0.000 0.521 267 G N 0.289 109.035 108.800 -0.089 0.000 2.448 267 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.219 267 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.219 267 G C 1.556 176.474 174.900 0.029 0.000 1.127 267 G CA 0.795 45.957 45.100 0.103 0.000 0.766 267 G HN 0.402 nan 8.290 nan 0.000 0.552 268 C N 0.054 119.354 119.300 0.001 0.000 2.413 268 C HA -0.021 4.438 4.460 -0.001 0.000 0.276 268 C C 2.975 177.949 174.990 -0.026 0.000 1.236 268 C CA 0.904 59.921 59.018 -0.000 0.000 1.735 268 C CB -0.789 26.953 27.740 0.003 0.000 2.031 268 C HN 0.482 nan 8.230 nan 0.000 0.474 269 R N 0.317 120.771 120.500 -0.077 0.000 2.115 269 R HA -0.022 4.318 4.340 -0.001 0.000 0.226 269 R C 2.463 178.716 176.300 -0.078 0.000 1.100 269 R CA 1.357 57.404 56.100 -0.089 0.000 0.980 269 R CB -0.638 29.574 30.300 -0.147 0.000 0.875 269 R HN 0.633 nan 8.270 nan 0.000 0.445 270 G N 1.191 109.928 108.800 -0.105 0.000 2.432 270 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.219 270 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.219 270 G C 1.116 176.056 174.900 0.066 0.000 1.135 270 G CA 0.455 45.542 45.100 -0.023 0.000 0.767 270 G HN 0.223 nan 8.290 nan 0.000 0.550 271 E N 0.226 120.467 120.200 0.069 0.000 2.502 271 E HA 0.176 4.525 4.350 -0.001 0.000 0.194 271 E C 1.738 178.367 176.600 0.049 0.000 1.062 271 E CA 0.614 57.066 56.400 0.087 0.000 0.867 271 E CB 0.274 30.023 29.700 0.081 0.000 0.888 271 E HN 0.497 nan 8.360 nan 0.000 0.510 272 G N 0.683 109.508 108.800 0.042 0.000 2.205 272 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.180 272 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.180 272 G C 0.666 175.636 174.900 0.117 0.000 1.004 272 G CA -0.288 44.854 45.100 0.069 0.000 0.670 272 G HN 0.469 nan 8.290 nan 0.000 0.496 273 G N 0.236 109.065 108.800 0.048 0.000 2.636 273 G HA2 0.654 4.613 3.960 -0.001 0.000 0.246 273 G HA3 0.654 4.613 3.960 -0.001 0.000 0.246 273 G C 0.214 175.153 174.900 0.064 0.000 1.216 273 G CA 0.281 45.433 45.100 0.087 0.000 0.854 273 G HN 1.507 nan 8.290 nan 0.000 0.572 274 I N -2.065 118.536 120.570 0.052 0.000 2.969 274 I HA 0.616 4.785 4.170 -0.001 0.000 0.307 274 I C -0.828 175.248 176.117 -0.069 0.000 1.149 274 I CA -1.365 59.902 61.300 -0.054 0.000 1.008 274 I CB 2.248 40.181 38.000 -0.111 0.000 1.232 274 I HN 0.237 nan 8.210 nan 0.000 0.435 275 L N 5.062 126.184 121.223 -0.168 0.000 2.292 275 L HA 0.619 4.958 4.340 -0.001 0.000 0.284 275 L C -0.205 176.563 176.870 -0.170 0.000 1.065 275 L CA -0.648 54.099 54.840 -0.154 0.000 0.806 275 L CB 1.395 43.267 42.059 -0.311 0.000 1.175 275 L HN 0.592 nan 8.230 nan 0.000 0.431 276 I N -0.394 120.269 120.570 0.156 0.000 2.828 276 I HA 0.607 4.776 4.170 -0.001 0.000 0.302 276 I C -0.725 175.681 176.117 0.480 0.000 1.101 276 I CA -0.926 60.545 61.300 0.284 0.000 1.031 276 I CB 2.116 40.234 38.000 0.197 0.000 1.231 276 I HN 0.543 nan 8.210 nan 0.000 0.427 277 N N 1.544 120.501 118.700 0.428 0.000 2.593 277 N HA 0.279 5.019 4.740 -0.001 0.000 0.304 277 N C 0.741 176.307 175.510 0.093 0.000 1.296 277 N CA -0.167 52.971 53.050 0.147 0.000 0.950 277 N CB 0.107 38.579 38.487 -0.025 0.000 1.127 277 N HN 0.715 nan 8.380 nan 0.000 0.587 278 S N -2.190 113.502 115.700 -0.015 0.000 2.515 278 S HA -0.089 4.380 4.470 -0.001 0.000 0.231 278 S C 1.003 175.635 174.600 0.052 0.000 0.987 278 S CA 0.556 58.760 58.200 0.007 0.000 0.936 278 S CB -0.553 62.607 63.200 -0.066 0.000 0.766 278 S HN 0.622 nan 8.310 nan 0.000 0.528 279 Q N 0.403 120.237 119.800 0.056 0.000 2.280 279 Q HA 0.331 4.671 4.340 -0.001 0.000 0.201 279 Q C 1.217 177.268 176.000 0.084 0.000 0.890 279 Q CA 0.195 56.033 55.803 0.058 0.000 0.947 279 Q CB 0.272 29.036 28.738 0.043 0.000 1.081 279 Q HN 0.747 nan 8.270 nan 0.000 0.502 280 G N 1.763 110.635 108.800 0.120 0.000 2.184 280 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.264 280 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.264 280 G C -0.025 174.943 174.900 0.114 0.000 0.975 280 G CA 0.425 45.598 45.100 0.122 0.000 0.642 280 G HN 0.436 nan 8.290 nan 0.000 0.536 281 E N 0.397 120.682 120.200 0.142 0.000 2.338 281 E HA 0.335 4.684 4.350 -0.001 0.000 0.272 281 E C 0.624 177.332 176.600 0.180 0.000 1.029 281 E CA -0.780 55.708 56.400 0.146 0.000 0.872 281 E CB 0.303 30.101 29.700 0.162 0.000 1.015 281 E HN 0.317 nan 8.360 nan 0.000 0.417 282 R N 5.460 125.996 120.500 0.059 0.000 3.268 282 R HA 0.049 4.388 4.340 -0.001 0.000 0.217 282 R C 0.649 176.910 176.300 -0.063 0.000 1.568 282 R CA -0.170 55.884 56.100 -0.077 0.000 1.322 282 R CB -0.489 29.755 30.300 -0.093 0.000 1.280 282 R HN 0.585 nan 8.270 nan 0.000 0.667 283 F N 1.161 121.161 119.950 0.084 0.000 2.333 283 F HA -0.134 4.393 4.527 -0.001 0.000 0.300 283 F C 1.275 177.225 175.800 0.249 0.000 1.083 283 F CA 0.382 58.478 58.000 0.160 0.000 1.395 283 F CB -0.228 38.903 39.000 0.218 0.000 1.056 283 F HN 0.258 nan 8.300 nan 0.000 0.529 284 M N 1.048 120.525 119.600 -0.205 0.000 2.460 284 M HA -0.101 4.379 4.480 -0.001 0.000 0.263 284 M C 1.823 178.174 176.300 0.084 0.000 1.071 284 M CA 0.946 56.259 55.300 0.022 0.000 1.096 284 M CB -1.241 31.253 32.600 -0.176 0.000 1.408 284 M HN 0.408 nan 8.290 nan 0.000 0.463 285 E N -0.429 119.788 120.200 0.029 0.000 2.265 285 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 285 E C 2.105 178.732 176.600 0.045 0.000 0.996 285 E CA 0.762 57.178 56.400 0.027 0.000 0.832 285 E CB -0.022 29.680 29.700 0.004 0.000 0.756 285 E HN 0.463 nan 8.360 nan 0.000 0.491 286 R N -0.420 120.120 120.500 0.067 0.000 2.112 286 R HA -0.045 4.294 4.340 -0.001 0.000 0.216 286 R C 1.502 177.745 176.300 -0.095 0.000 1.080 286 R CA 0.703 56.779 56.100 -0.042 0.000 0.996 286 R CB 0.112 30.351 30.300 -0.102 0.000 0.902 286 R HN 0.130 nan 8.270 nan 0.000 0.449 287 Y N -0.616 119.741 120.300 0.095 0.000 2.365 287 Y HA 0.290 4.839 4.550 -0.001 0.000 0.293 287 Y C 0.674 176.624 175.900 0.084 0.000 1.119 287 Y CA 0.591 58.750 58.100 0.098 0.000 1.203 287 Y CB 0.558 39.097 38.460 0.133 0.000 1.026 287 Y HN 0.088 nan 8.280 nan 0.000 0.549 288 A N -0.447 122.503 122.820 0.216 0.000 3.082 288 A HA 0.426 4.746 4.320 -0.001 0.000 0.328 288 A C -2.174 175.469 177.584 0.097 0.000 1.089 288 A CA -1.242 50.888 52.037 0.155 0.000 0.802 288 A CB 0.265 19.359 19.000 0.157 0.000 1.138 288 A HN -0.003 nan 8.150 nan 0.000 0.474 289 P HA -0.230 nan 4.420 nan 0.000 0.217 289 P C 1.604 178.927 177.300 0.039 0.000 1.158 289 P CA 1.761 64.886 63.100 0.042 0.000 0.887 289 P CB 0.295 32.013 31.700 0.030 0.000 0.792 290 V N -0.475 119.469 119.914 0.050 0.000 2.283 290 V HA -0.103 4.016 4.120 -0.001 0.000 0.239 290 V C 2.440 178.565 176.094 0.051 0.000 1.035 290 V CA 2.133 64.459 62.300 0.044 0.000 1.018 290 V CB -1.773 30.075 31.823 0.042 0.000 0.658 290 V HN 0.061 nan 8.190 nan 0.000 0.459 291 A N -1.437 121.434 122.820 0.085 0.000 1.969 291 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 291 A C 1.499 179.098 177.584 0.024 0.000 1.169 291 A CA 1.587 53.670 52.037 0.077 0.000 0.635 291 A CB -0.228 18.864 19.000 0.153 0.000 0.810 291 A HN 0.625 nan 8.150 nan 0.000 0.445 292 K N -2.047 118.369 120.400 0.027 0.000 1.791 292 K HA -0.273 4.047 4.320 -0.001 0.000 0.140 292 K C 0.329 176.894 176.600 -0.060 0.000 1.312 292 K CA 1.856 58.135 56.287 -0.013 0.000 0.382 292 K CB -1.423 31.058 32.500 -0.032 0.000 0.635 292 K HN 0.431 nan 8.250 nan 0.000 0.838 293 D N 1.017 121.355 120.400 -0.103 0.000 2.363 293 D HA 0.062 4.701 4.640 -0.001 0.000 0.226 293 D C 0.726 176.940 176.300 -0.143 0.000 1.020 293 D CA 0.679 54.594 54.000 -0.142 0.000 0.892 293 D CB 0.016 40.723 40.800 -0.154 0.000 0.900 293 D HN 0.189 nan 8.370 nan 0.000 0.531 294 L N 0.262 121.416 121.223 -0.115 0.000 3.017 294 L HA 0.417 4.756 4.340 -0.001 0.000 0.255 294 L C 0.703 177.492 176.870 -0.135 0.000 1.247 294 L CA -0.570 54.188 54.840 -0.137 0.000 1.038 294 L CB 0.175 42.173 42.059 -0.103 0.000 1.380 294 L HN -0.010 nan 8.230 nan 0.000 0.548 295 A N 0.072 122.802 122.820 -0.150 0.000 2.267 295 A HA 0.491 4.810 4.320 -0.001 0.000 0.271 295 A C 0.774 178.086 177.584 -0.454 0.000 1.131 295 A CA -0.145 51.745 52.037 -0.244 0.000 0.818 295 A CB 0.337 19.267 19.000 -0.115 0.000 1.118 295 A HN 0.362 nan 8.150 nan 0.000 0.501 296 S N -0.597 114.587 115.700 -0.860 0.000 2.579 296 S HA 0.157 4.626 4.470 -0.001 0.000 0.275 296 S C 0.953 175.343 174.600 -0.349 0.000 1.345 296 S CA 0.008 57.832 58.200 -0.627 0.000 1.031 296 S CB 0.489 63.246 63.200 -0.739 0.000 0.892 296 S HN 0.645 nan 8.310 nan 0.000 0.529 297 R N 1.314 121.657 120.500 -0.262 0.000 2.105 297 R HA -0.125 4.214 4.340 -0.001 0.000 0.239 297 R C 1.977 178.194 176.300 -0.139 0.000 1.135 297 R CA 1.781 57.752 56.100 -0.216 0.000 0.967 297 R CB -0.620 29.552 30.300 -0.213 0.000 0.861 297 R HN 0.916 nan 8.270 nan 0.000 0.442 298 D N 0.433 120.776 120.400 -0.095 0.000 2.144 298 D HA -0.128 4.512 4.640 -0.001 0.000 0.199 298 D C 1.810 178.061 176.300 -0.082 0.000 0.984 298 D CA 1.121 55.094 54.000 -0.046 0.000 0.834 298 D CB -0.393 40.416 40.800 0.016 0.000 0.955 298 D HN 0.101 nan 8.370 nan 0.000 0.465 299 V N 0.875 120.736 119.914 -0.088 0.000 2.379 299 V HA -0.176 3.943 4.120 -0.001 0.000 0.245 299 V C 2.953 178.996 176.094 -0.085 0.000 1.044 299 V CA 1.035 63.304 62.300 -0.052 0.000 1.036 299 V CB -0.226 31.593 31.823 -0.007 0.000 0.664 299 V HN 0.097 nan 8.190 nan 0.000 0.453 300 V N -0.340 119.503 119.914 -0.118 0.000 2.295 300 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 300 V C 2.593 178.627 176.094 -0.099 0.000 1.049 300 V CA 2.311 64.546 62.300 -0.108 0.000 1.024 300 V CB -0.702 31.038 31.823 -0.138 0.000 0.648 300 V HN 0.520 nan 8.190 nan 0.000 0.447 301 S N -0.678 114.955 115.700 -0.112 0.000 2.359 301 S HA -0.206 4.264 4.470 -0.001 0.000 0.224 301 S C 2.147 176.646 174.600 -0.170 0.000 1.035 301 S CA 1.586 59.719 58.200 -0.111 0.000 1.018 301 S CB -0.308 62.842 63.200 -0.082 0.000 0.876 301 S HN 0.492 nan 8.310 nan 0.000 0.448 302 R N 0.809 121.179 120.500 -0.217 0.000 2.081 302 R HA -0.040 4.299 4.340 -0.001 0.000 0.235 302 R C 2.650 178.889 176.300 -0.101 0.000 1.131 302 R CA 1.596 57.551 56.100 -0.241 0.000 0.960 302 R CB -0.488 29.656 30.300 -0.260 0.000 0.856 302 R HN 0.303 nan 8.270 nan 0.000 0.436 303 S N 1.051 116.614 115.700 -0.229 0.000 2.353 303 S HA -0.179 4.290 4.470 -0.001 0.000 0.222 303 S C 1.965 176.295 174.600 -0.449 0.000 1.035 303 S CA 1.521 59.346 58.200 -0.625 0.000 1.025 303 S CB -0.179 62.570 63.200 -0.753 0.000 0.902 303 S HN 0.250 nan 8.310 nan 0.000 0.440 304 M N 1.068 120.558 119.600 -0.184 0.000 2.149 304 M HA -0.119 4.361 4.480 -0.001 0.000 0.261 304 M C 2.293 178.484 176.300 -0.181 0.000 1.064 304 M CA 1.358 56.563 55.300 -0.158 0.000 1.102 304 M CB -0.964 31.638 32.600 0.003 0.000 1.369 304 M HN 0.266 nan 8.290 nan 0.000 0.408 305 T N 0.779 115.270 114.554 -0.104 0.000 2.821 305 T HA -0.049 4.300 4.350 -0.001 0.000 0.267 305 T C 1.728 176.419 174.700 -0.016 0.000 1.046 305 T CA 1.131 63.213 62.100 -0.030 0.000 1.139 305 T CB -0.283 68.608 68.868 0.038 0.000 0.871 305 T HN 0.319 nan 8.240 nan 0.000 0.454 306 I N 0.863 121.424 120.570 -0.015 0.000 2.202 306 I HA -0.115 4.054 4.170 -0.001 0.000 0.242 306 I C 2.726 178.787 176.117 -0.094 0.000 1.091 306 I CA 0.997 62.281 61.300 -0.027 0.000 1.368 306 I CB -0.277 37.758 38.000 0.059 0.000 1.058 306 I HN 0.101 nan 8.210 nan 0.000 0.410 307 E N 0.885 120.958 120.200 -0.213 0.000 2.097 307 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 307 E C 2.250 178.712 176.600 -0.230 0.000 1.000 307 E CA 1.499 57.722 56.400 -0.295 0.000 0.804 307 E CB -0.295 28.989 29.700 -0.692 0.000 0.740 307 E HN 0.547 nan 8.360 nan 0.000 0.454 308 I N 0.515 120.961 120.570 -0.206 0.000 2.202 308 I HA -0.236 3.933 4.170 -0.001 0.000 0.242 308 I C 2.587 178.635 176.117 -0.115 0.000 1.091 308 I CA 0.908 62.112 61.300 -0.159 0.000 1.368 308 I CB -0.243 37.682 38.000 -0.125 0.000 1.058 308 I HN -0.003 nan 8.210 nan 0.000 0.410 309 R N 0.901 121.345 120.500 -0.094 0.000 2.105 309 R HA -0.161 4.178 4.340 -0.001 0.000 0.239 309 R C 1.385 177.635 176.300 -0.084 0.000 1.135 309 R CA 1.221 57.271 56.100 -0.083 0.000 0.967 309 R CB -0.309 29.935 30.300 -0.094 0.000 0.861 309 R HN 0.483 nan 8.270 nan 0.000 0.442 310 E N -0.377 119.771 120.200 -0.085 0.000 2.403 310 E HA 0.071 4.420 4.350 -0.001 0.000 0.187 310 E C 0.535 177.090 176.600 -0.076 0.000 1.073 310 E CA 0.246 56.602 56.400 -0.073 0.000 0.888 310 E CB 0.555 30.222 29.700 -0.056 0.000 1.035 310 E HN 0.533 nan 8.360 nan 0.000 0.471 311 G N 2.191 110.938 108.800 -0.089 0.000 2.143 311 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.249 311 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.249 311 G C 0.754 175.591 174.900 -0.105 0.000 0.981 311 G CA 0.044 45.090 45.100 -0.089 0.000 0.665 311 G HN 0.291 nan 8.290 nan 0.000 0.528 312 R N 0.440 120.862 120.500 -0.131 0.000 2.515 312 R HA 0.361 4.701 4.340 -0.001 0.000 0.294 312 R C 1.500 177.682 176.300 -0.198 0.000 1.021 312 R CA 0.219 56.234 56.100 -0.142 0.000 1.081 312 R CB 0.509 30.728 30.300 -0.135 0.000 1.263 312 R HN 0.353 nan 8.270 nan 0.000 0.557 313 G N 0.235 108.903 108.800 -0.221 0.000 2.569 313 G HA2 0.243 4.203 3.960 -0.001 0.000 0.249 313 G HA3 0.243 4.203 3.960 -0.001 0.000 0.249 313 G C -0.010 174.667 174.900 -0.372 0.000 1.216 313 G CA -0.421 44.495 45.100 -0.306 0.000 0.845 313 G HN 0.178 nan 8.290 nan 0.000 0.568 314 C N -0.828 118.104 119.300 -0.613 0.000 2.423 314 C HA 1.006 5.466 4.460 -0.001 0.000 0.378 314 C C 0.992 175.476 174.990 -0.845 0.000 1.244 314 C CA 0.487 59.100 59.018 -0.674 0.000 1.978 314 C CB 0.584 27.724 27.740 -1.000 0.000 2.252 314 C HN 1.687 nan 8.230 nan 0.000 0.526 315 G N 1.534 110.078 108.800 -0.426 0.000 2.781 315 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.683 315 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.683 315 G C -1.709 173.120 174.900 -0.118 0.000 1.390 315 G CA -0.102 44.884 45.100 -0.191 0.000 0.850 315 G HN 0.511 nan 8.290 nan 0.000 0.557 316 P HA -0.025 nan 4.420 nan 0.000 0.221 316 P C 0.845 178.133 177.300 -0.021 0.000 1.145 316 P CA 1.509 64.610 63.100 0.001 0.000 0.795 316 P CB 0.202 31.931 31.700 0.048 0.000 0.775 317 E N -0.454 119.722 120.200 -0.040 0.000 2.501 317 E HA 0.087 4.436 4.350 -0.001 0.000 0.201 317 E C 0.290 176.824 176.600 -0.109 0.000 1.016 317 E CA -0.304 56.076 56.400 -0.033 0.000 0.920 317 E CB -0.076 29.654 29.700 0.049 0.000 1.023 317 E HN 0.273 nan 8.360 nan 0.000 0.474 318 K N 1.844 122.117 120.400 -0.211 0.000 3.177 318 K HA -0.185 4.135 4.320 -0.001 0.000 0.266 318 K C -0.141 176.302 176.600 -0.262 0.000 0.937 318 K CA 1.062 57.185 56.287 -0.272 0.000 0.702 318 K CB -1.026 31.372 32.500 -0.170 0.000 1.365 318 K HN 0.205 nan 8.250 nan 0.000 0.466 319 D N -0.831 119.380 120.400 -0.316 0.000 2.469 319 D HA 0.007 4.647 4.640 -0.001 0.000 0.215 319 D C 0.584 176.813 176.300 -0.118 0.000 1.154 319 D CA 0.075 53.987 54.000 -0.145 0.000 0.832 319 D CB 0.098 40.926 40.800 0.047 0.000 1.008 319 D HN 0.625 nan 8.370 nan 0.000 0.506 320 H N -1.839 117.067 119.070 -0.274 0.000 2.928 320 H HA 0.653 5.209 4.556 -0.001 0.000 0.285 320 H C -0.767 174.388 175.328 -0.288 0.000 1.438 320 H CA -0.961 54.944 56.048 -0.237 0.000 1.176 320 H CB 1.282 30.844 29.762 -0.333 0.000 1.864 320 H HN -0.078 nan 8.280 nan 0.000 0.567 321 V N -2.221 117.683 119.914 -0.016 0.000 3.105 321 V HA 0.603 4.722 4.120 -0.001 0.000 0.311 321 V C -1.248 174.842 176.094 -0.007 0.000 1.282 321 V CA -1.091 61.142 62.300 -0.112 0.000 1.065 321 V CB 1.747 33.601 31.823 0.051 0.000 1.136 321 V HN 0.771 nan 8.190 nan 0.000 0.469 322 Y N 0.196 120.615 120.300 0.199 0.000 2.429 322 Y HA 0.753 5.303 4.550 -0.001 0.000 0.342 322 Y C -0.497 175.476 175.900 0.121 0.000 1.004 322 Y CA -0.983 57.214 58.100 0.161 0.000 1.075 322 Y CB 2.234 40.778 38.460 0.141 0.000 1.214 322 Y HN 0.606 nan 8.280 nan 0.000 0.455 323 L N 4.247 125.645 121.223 0.291 0.000 2.276 323 L HA 0.370 4.710 4.340 -0.001 0.000 0.286 323 L C -0.689 176.242 176.870 0.101 0.000 1.024 323 L CA -0.467 54.462 54.840 0.149 0.000 0.826 323 L CB 1.269 43.397 42.059 0.116 0.000 1.211 323 L HN 0.673 nan 8.230 nan 0.000 0.422 324 Q N 4.793 124.625 119.800 0.053 0.000 2.314 324 Q HA 0.434 4.773 4.340 -0.001 0.000 0.259 324 Q C -0.685 175.312 176.000 -0.006 0.000 0.951 324 Q CA -0.362 55.421 55.803 -0.032 0.000 0.909 324 Q CB 1.125 29.797 28.738 -0.110 0.000 1.236 324 Q HN 0.938 nan 8.270 nan 0.000 0.444 325 L N 3.749 124.918 121.223 -0.089 0.000 2.920 325 L HA 0.112 4.452 4.340 -0.001 0.000 0.257 325 L C 1.736 178.478 176.870 -0.212 0.000 1.150 325 L CA -0.227 54.525 54.840 -0.147 0.000 0.959 325 L CB 0.001 42.018 42.059 -0.069 0.000 1.321 325 L HN 0.751 nan 8.230 nan 0.000 0.555 326 H N -0.167 118.919 119.070 0.026 0.000 2.545 326 H HA -0.106 4.450 4.556 -0.001 0.000 0.282 326 H C 1.594 176.929 175.328 0.012 0.000 1.020 326 H CA 1.142 57.193 56.048 0.005 0.000 1.243 326 H CB -0.396 29.381 29.762 0.024 0.000 1.377 326 H HN 0.562 nan 8.280 nan 0.000 0.581 327 H N 0.467 119.494 119.070 -0.071 0.000 2.556 327 H HA 0.220 4.776 4.556 -0.001 0.000 0.268 327 H C 0.478 175.812 175.328 0.011 0.000 0.996 327 H CA -0.235 55.823 56.048 0.017 0.000 1.157 327 H CB -0.316 29.425 29.762 -0.035 0.000 1.355 327 H HN 0.253 nan 8.280 nan 0.000 0.597 328 L N 1.874 122.858 121.223 -0.400 0.000 2.379 328 L HA 0.350 4.689 4.340 -0.001 0.000 0.269 328 L C -2.137 174.673 176.870 -0.099 0.000 1.084 328 L CA -2.253 52.427 54.840 -0.266 0.000 0.802 328 L CB 0.901 42.776 42.059 -0.307 0.000 1.175 328 L HN -0.059 nan 8.230 nan 0.000 0.448 329 P HA 0.055 nan 4.420 nan 0.000 0.267 329 P C -1.975 175.308 177.300 -0.029 0.000 1.205 329 P CA -1.000 62.084 63.100 -0.028 0.000 0.765 329 P CB 0.173 31.861 31.700 -0.021 0.000 0.828 330 P HA -0.219 nan 4.420 nan 0.000 0.221 330 P C 1.344 178.633 177.300 -0.018 0.000 1.145 330 P CA 1.224 64.315 63.100 -0.014 0.000 0.795 330 P CB 0.251 31.948 31.700 -0.006 0.000 0.775 331 Q N 0.762 120.550 119.800 -0.020 0.000 2.167 331 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 331 Q C 2.377 178.358 176.000 -0.032 0.000 0.970 331 Q CA 1.644 57.433 55.803 -0.024 0.000 0.855 331 Q CB -0.940 27.784 28.738 -0.023 0.000 0.911 331 Q HN 0.323 nan 8.270 nan 0.000 0.438 332 Q N -0.771 119.008 119.800 -0.034 0.000 2.172 332 Q HA -0.090 4.249 4.340 -0.001 0.000 0.200 332 Q C 1.818 177.799 176.000 -0.032 0.000 0.964 332 Q CA 1.021 56.801 55.803 -0.039 0.000 0.855 332 Q CB -0.030 28.687 28.738 -0.036 0.000 0.918 332 Q HN 0.476 nan 8.270 nan 0.000 0.444 333 L N 0.172 121.377 121.223 -0.029 0.000 2.056 333 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 333 L C 2.593 179.455 176.870 -0.012 0.000 1.078 333 L CA 1.007 55.835 54.840 -0.019 0.000 0.749 333 L CB -0.617 41.430 42.059 -0.019 0.000 0.901 333 L HN 0.303 nan 8.230 nan 0.000 0.433 334 A N -0.685 122.125 122.820 -0.017 0.000 1.969 334 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 334 A C 2.309 179.880 177.584 -0.021 0.000 1.169 334 A CA 2.066 54.094 52.037 -0.015 0.000 0.635 334 A CB -0.591 18.399 19.000 -0.016 0.000 0.810 334 A HN 0.374 nan 8.150 nan 0.000 0.445 335 T N -0.991 113.544 114.554 -0.033 0.000 2.976 335 T HA 0.021 4.371 4.350 -0.001 0.000 0.257 335 T C 1.975 176.645 174.700 -0.051 0.000 1.051 335 T CA 0.820 62.890 62.100 -0.050 0.000 1.141 335 T CB -0.021 68.801 68.868 -0.077 0.000 0.881 335 T HN 0.332 nan 8.240 nan 0.000 0.461 336 R N 0.602 121.080 120.500 -0.036 0.000 2.206 336 R HA 0.336 4.675 4.340 -0.001 0.000 0.198 336 R C 0.836 177.162 176.300 0.045 0.000 0.986 336 R CA 0.468 56.570 56.100 0.002 0.000 1.029 336 R CB -0.099 30.215 30.300 0.024 0.000 0.966 336 R HN 0.343 nan 8.270 nan 0.000 0.487 337 L N 2.212 123.452 121.223 0.027 0.000 3.193 337 L HA 0.263 4.602 4.340 -0.001 0.000 0.305 337 L C -1.616 175.267 176.870 0.022 0.000 1.299 337 L CA -0.960 53.901 54.840 0.035 0.000 0.904 337 L CB 1.332 43.411 42.059 0.033 0.000 1.331 337 L HN -0.111 nan 8.230 nan 0.000 0.588 338 P HA -0.151 nan 4.420 nan 0.000 0.217 338 P C 1.588 178.893 177.300 0.008 0.000 1.150 338 P CA 1.596 64.699 63.100 0.005 0.000 0.832 338 P CB 0.374 32.072 31.700 -0.005 0.000 0.787 339 G N 1.450 110.257 108.800 0.011 0.000 2.433 339 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.216 339 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.216 339 G C 1.538 176.455 174.900 0.030 0.000 1.186 339 G CA 1.319 46.425 45.100 0.011 0.000 0.779 339 G HN 0.400 nan 8.290 nan 0.000 0.543 340 I N -1.040 119.552 120.570 0.036 0.000 2.676 340 I HA 0.106 4.276 4.170 -0.001 0.000 0.259 340 I C 2.448 178.594 176.117 0.048 0.000 1.194 340 I CA 1.375 62.702 61.300 0.045 0.000 1.473 340 I CB -0.377 37.648 38.000 0.041 0.000 1.096 340 I HN -0.039 nan 8.210 nan 0.000 0.443 341 S N 0.858 116.579 115.700 0.035 0.000 2.370 341 S HA -0.228 4.241 4.470 -0.001 0.000 0.226 341 S C 1.959 176.579 174.600 0.034 0.000 1.033 341 S CA 1.917 60.135 58.200 0.030 0.000 1.011 341 S CB -0.384 62.827 63.200 0.017 0.000 0.852 341 S HN 0.621 nan 8.310 nan 0.000 0.457 342 E N 0.998 121.217 120.200 0.032 0.000 2.072 342 E HA -0.064 4.286 4.350 -0.001 0.000 0.190 342 E C 2.121 178.757 176.600 0.061 0.000 0.982 342 E CA 1.457 57.875 56.400 0.030 0.000 0.803 342 E CB -0.563 29.149 29.700 0.020 0.000 0.755 342 E HN 0.367 nan 8.360 nan 0.000 0.453 343 T N 0.182 114.799 114.554 0.105 0.000 2.746 343 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 343 T C 1.797 176.629 174.700 0.221 0.000 1.039 343 T CA 1.446 63.674 62.100 0.215 0.000 1.142 343 T CB -0.497 68.477 68.868 0.177 0.000 0.866 343 T HN 0.332 nan 8.240 nan 0.000 0.444 344 A N 1.289 124.189 122.820 0.133 0.000 1.908 344 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 344 A C 2.230 179.870 177.584 0.093 0.000 1.181 344 A CA 2.005 54.113 52.037 0.117 0.000 0.627 344 A CB -0.635 18.414 19.000 0.082 0.000 0.818 344 A HN 0.430 nan 8.150 nan 0.000 0.445 345 M N 0.063 119.697 119.600 0.056 0.000 2.099 345 M HA 0.027 4.507 4.480 -0.001 0.000 0.262 345 M C 1.821 178.105 176.300 -0.026 0.000 1.067 345 M CA 1.531 56.841 55.300 0.017 0.000 1.124 345 M CB -0.640 31.960 32.600 0.001 0.000 1.353 345 M HN 0.383 nan 8.290 nan 0.000 0.410 346 I N -1.094 119.437 120.570 -0.064 0.000 2.226 346 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 346 I C 1.400 177.277 176.117 -0.401 0.000 1.100 346 I CA 1.339 62.480 61.300 -0.266 0.000 1.374 346 I CB -0.405 37.351 38.000 -0.406 0.000 1.057 346 I HN 0.174 nan 8.210 nan 0.000 0.413 347 F N -0.213 119.745 119.950 0.013 0.000 2.749 347 F HA 0.287 4.813 4.527 -0.001 0.000 0.300 347 F C 1.758 177.571 175.800 0.021 0.000 1.103 347 F CA 0.409 58.416 58.000 0.012 0.000 1.342 347 F CB 0.207 39.211 39.000 0.006 0.000 1.098 347 F HN -0.056 nan 8.300 nan 0.000 0.586 348 A N -0.881 122.032 122.820 0.155 0.000 2.653 348 A HA 0.521 4.841 4.320 -0.001 0.000 0.248 348 A C 1.602 179.235 177.584 0.082 0.000 1.211 348 A CA 0.397 52.511 52.037 0.127 0.000 0.991 348 A CB -0.475 18.608 19.000 0.138 0.000 1.252 348 A HN 0.375 nan 8.150 nan 0.000 0.593 349 G N -0.284 108.545 108.800 0.047 0.000 2.225 349 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.267 349 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.267 349 G C 0.135 175.055 174.900 0.032 0.000 1.024 349 G CA 0.503 45.618 45.100 0.026 0.000 0.784 349 G HN 0.976 nan 8.290 nan 0.000 0.507 350 V N 0.499 120.440 119.914 0.044 0.000 2.472 350 V HA 0.514 4.633 4.120 -0.001 0.000 0.290 350 V C 0.003 176.116 176.094 0.032 0.000 1.037 350 V CA -0.595 61.729 62.300 0.040 0.000 0.908 350 V CB 1.943 33.800 31.823 0.058 0.000 0.985 350 V HN 0.349 nan 8.190 nan 0.000 0.454 351 D N 3.417 123.831 120.400 0.022 0.000 2.412 351 D HA 0.170 4.810 4.640 -0.001 0.000 0.224 351 D C 0.958 177.277 176.300 0.032 0.000 1.093 351 D CA -0.416 53.595 54.000 0.019 0.000 0.850 351 D CB 1.808 42.611 40.800 0.006 0.000 1.046 351 D HN 0.359 nan 8.370 nan 0.000 0.507 352 V N 2.307 122.244 119.914 0.039 0.000 2.828 352 V HA -0.167 3.953 4.120 -0.001 0.000 0.260 352 V C 1.703 177.841 176.094 0.074 0.000 1.101 352 V CA 2.139 64.472 62.300 0.056 0.000 1.123 352 V CB -1.538 30.308 31.823 0.039 0.000 0.704 352 V HN 0.645 nan 8.190 nan 0.000 0.493 353 T N -2.890 111.695 114.554 0.052 0.000 3.113 353 T HA 0.117 4.466 4.350 -0.001 0.000 0.256 353 T C 1.496 176.237 174.700 0.068 0.000 1.131 353 T CA 1.088 63.224 62.100 0.060 0.000 1.074 353 T CB -0.117 68.766 68.868 0.025 0.000 0.944 353 T HN 0.631 nan 8.240 nan 0.000 0.516 354 K N -0.297 120.122 120.400 0.033 0.000 2.462 354 K HA 0.287 4.606 4.320 -0.001 0.000 0.201 354 K C 0.213 176.718 176.600 -0.159 0.000 1.268 354 K CA 0.105 56.346 56.287 -0.077 0.000 0.933 354 K CB 0.790 33.251 32.500 -0.065 0.000 1.162 354 K HN 0.193 nan 8.250 nan 0.000 0.527 355 E N 0.751 120.956 120.200 0.009 0.000 2.416 355 E HA 0.334 4.684 4.350 -0.001 0.000 0.273 355 E C -2.790 173.880 176.600 0.116 0.000 0.935 355 E CA -2.156 54.257 56.400 0.021 0.000 0.784 355 E CB 2.020 31.689 29.700 -0.050 0.000 1.301 355 E HN -0.123 nan 8.360 nan 0.000 0.454 356 P HA 0.367 nan 4.420 nan 0.000 0.278 356 P C -0.138 177.162 177.300 0.001 0.000 1.258 356 P CA -0.385 62.698 63.100 -0.028 0.000 0.811 356 P CB 0.932 32.526 31.700 -0.177 0.000 1.063 357 I N 2.485 123.119 120.570 0.106 0.000 2.396 357 I HA 0.248 4.418 4.170 -0.001 0.000 0.292 357 I C -1.937 174.348 176.117 0.280 0.000 0.999 357 I CA -2.561 58.831 61.300 0.153 0.000 1.310 357 I CB 1.455 39.525 38.000 0.118 0.000 1.404 357 I HN 0.138 nan 8.210 nan 0.000 0.496 358 P HA 0.203 nan 4.420 nan 0.000 0.287 358 P C -0.832 176.514 177.300 0.077 0.000 1.294 358 P CA -0.114 63.075 63.100 0.149 0.000 0.776 358 P CB 1.346 32.942 31.700 -0.173 0.000 0.889 359 V N 2.098 122.085 119.914 0.123 0.000 3.141 359 V HA 0.869 4.989 4.120 -0.001 0.000 0.312 359 V C -1.034 175.159 176.094 0.164 0.000 1.157 359 V CA -1.252 61.130 62.300 0.136 0.000 1.041 359 V CB 2.153 34.056 31.823 0.132 0.000 1.071 359 V HN 0.474 nan 8.190 nan 0.000 0.441 360 L N 0.982 122.297 121.223 0.154 0.000 2.612 360 L HA 0.780 5.119 4.340 -0.001 0.000 0.256 360 L C -3.107 173.837 176.870 0.123 0.000 0.949 360 L CA -1.194 53.737 54.840 0.151 0.000 0.867 360 L CB 2.475 44.668 42.059 0.224 0.000 1.417 360 L HN 0.554 nan 8.230 nan 0.000 0.414 361 P HA 0.276 nan 4.420 nan 0.000 0.264 361 P C -1.368 176.033 177.300 0.168 0.000 1.193 361 P CA 0.310 63.477 63.100 0.112 0.000 0.763 361 P CB 0.542 32.261 31.700 0.032 0.000 0.810 362 T N 1.984 116.654 114.554 0.194 0.000 2.952 362 T HA 0.222 4.572 4.350 -0.001 0.000 0.305 362 T C -0.354 174.396 174.700 0.084 0.000 1.064 362 T CA -0.587 61.602 62.100 0.149 0.000 1.008 362 T CB 0.984 69.892 68.868 0.066 0.000 1.078 362 T HN -0.047 nan 8.240 nan 0.000 0.459 363 V N 3.093 122.958 119.914 -0.083 0.000 2.644 363 V HA 0.049 4.169 4.120 -0.001 0.000 0.305 363 V C 0.982 176.982 176.094 -0.157 0.000 1.053 363 V CA 1.090 63.129 62.300 -0.435 0.000 1.186 363 V CB 0.380 31.777 31.823 -0.711 0.000 0.895 363 V HN 1.080 nan 8.190 nan 0.000 0.490 364 H N 3.612 122.519 119.070 -0.271 0.000 3.329 364 H HA 0.289 4.845 4.556 -0.001 0.000 0.234 364 H C -0.443 174.865 175.328 -0.034 0.000 0.957 364 H CA 0.140 56.129 56.048 -0.099 0.000 1.066 364 H CB 0.706 30.495 29.762 0.045 0.000 1.435 364 H HN 0.597 nan 8.280 nan 0.000 0.513 365 Y N 0.438 120.596 120.300 -0.236 0.000 2.558 365 Y HA 0.402 4.951 4.550 -0.001 0.000 0.333 365 Y C -1.938 173.803 175.900 -0.265 0.000 1.125 365 Y CA -1.226 56.708 58.100 -0.277 0.000 1.039 365 Y CB 1.300 39.658 38.460 -0.170 0.000 1.331 365 Y HN 0.023 nan 8.280 nan 0.000 0.456 366 N N 5.634 123.657 118.700 -1.129 0.000 2.469 366 N HA 0.182 4.921 4.740 -0.001 0.000 0.253 366 N C 0.148 175.316 175.510 -0.570 0.000 0.970 366 N CA -0.346 52.264 53.050 -0.734 0.000 0.940 366 N CB 1.793 39.828 38.487 -0.754 0.000 1.128 366 N HN 0.810 nan 8.380 nan 0.000 0.503 367 M N 0.864 120.433 119.600 -0.052 0.000 2.175 367 M HA 0.004 4.484 4.480 -0.001 0.000 0.264 367 M C 1.546 177.922 176.300 0.126 0.000 1.063 367 M CA 0.909 56.324 55.300 0.193 0.000 1.119 367 M CB -0.363 32.381 32.600 0.241 0.000 1.377 367 M HN 0.539 nan 8.290 nan 0.000 0.415 368 G N -1.265 107.606 108.800 0.118 0.000 2.621 368 G HA2 0.527 4.487 3.960 -0.001 0.000 0.271 368 G HA3 0.527 4.487 3.960 -0.001 0.000 0.271 368 G C 0.139 175.077 174.900 0.062 0.000 1.236 368 G CA -0.129 45.039 45.100 0.112 0.000 0.958 368 G HN 0.576 nan 8.290 nan 0.000 0.512 369 G N -1.622 107.195 108.800 0.029 0.000 2.455 369 G HA2 0.299 4.259 3.960 -0.001 0.000 0.223 369 G HA3 0.299 4.259 3.960 -0.001 0.000 0.223 369 G C -1.117 173.746 174.900 -0.063 0.000 1.226 369 G CA -0.811 44.288 45.100 -0.002 0.000 0.948 369 G HN 0.716 nan 8.290 nan 0.000 0.478 370 I N 3.593 124.115 120.570 -0.081 0.000 2.396 370 I HA 0.286 4.455 4.170 -0.001 0.000 0.289 370 I C -1.728 174.310 176.117 -0.131 0.000 1.056 370 I CA -1.584 59.650 61.300 -0.110 0.000 1.365 370 I CB 1.529 39.469 38.000 -0.101 0.000 1.407 370 I HN 0.156 nan 8.210 nan 0.000 0.509 371 P HA 0.081 nan 4.420 nan 0.000 0.271 371 P C -0.472 176.729 177.300 -0.165 0.000 1.216 371 P CA -0.006 62.990 63.100 -0.174 0.000 0.771 371 P CB 0.862 32.455 31.700 -0.178 0.000 0.864 372 T N -0.185 114.261 114.554 -0.180 0.000 2.865 372 T HA 0.532 4.882 4.350 -0.001 0.000 0.294 372 T C -0.031 174.571 174.700 -0.163 0.000 1.119 372 T CA -0.849 61.142 62.100 -0.181 0.000 1.007 372 T CB 1.059 69.812 68.868 -0.192 0.000 1.225 372 T HN 0.400 nan 8.240 nan 0.000 0.515 373 N N -0.150 118.450 118.700 -0.168 0.000 2.495 373 N HA 0.211 4.950 4.740 -0.001 0.000 0.294 373 N C 0.784 176.216 175.510 -0.130 0.000 1.276 373 N CA -0.841 52.133 53.050 -0.127 0.000 0.973 373 N CB -0.330 38.054 38.487 -0.171 0.000 1.143 373 N HN 0.895 nan 8.380 nan 0.000 0.589 374 Y N -2.301 117.970 120.300 -0.048 0.000 2.632 374 Y HA 0.283 4.833 4.550 -0.001 0.000 0.301 374 Y C 0.780 176.663 175.900 -0.028 0.000 1.172 374 Y CA 0.553 58.659 58.100 0.010 0.000 1.328 374 Y CB -0.143 38.338 38.460 0.035 0.000 1.016 374 Y HN 0.361 nan 8.280 nan 0.000 0.529 375 K N 0.358 120.392 120.400 -0.611 0.000 2.404 375 K HA 0.302 4.622 4.320 -0.001 0.000 0.194 375 K C 1.355 177.890 176.600 -0.107 0.000 1.023 375 K CA 0.528 56.546 56.287 -0.450 0.000 1.094 375 K CB 0.305 32.506 32.500 -0.499 0.000 0.841 375 K HN 0.580 nan 8.250 nan 0.000 0.523 376 G N 1.766 110.524 108.800 -0.070 0.000 2.176 376 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.232 376 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.232 376 G C -0.191 174.647 174.900 -0.104 0.000 0.986 376 G CA -0.270 44.844 45.100 0.024 0.000 0.643 376 G HN 0.345 nan 8.290 nan 0.000 0.522 377 Q N 0.500 120.117 119.800 -0.304 0.000 2.304 377 Q HA 0.524 4.863 4.340 -0.001 0.000 0.260 377 Q C 0.503 176.282 176.000 -0.369 0.000 0.965 377 Q CA -0.468 54.980 55.803 -0.591 0.000 0.898 377 Q CB 2.164 30.576 28.738 -0.543 0.000 1.196 377 Q HN 0.176 nan 8.270 nan 0.000 0.402 378 V N 4.686 124.383 119.914 -0.362 0.000 2.637 378 V HA 0.153 4.273 4.120 -0.001 0.000 0.296 378 V C 0.297 176.277 176.094 -0.189 0.000 1.046 378 V CA 0.179 62.344 62.300 -0.226 0.000 1.066 378 V CB 0.025 31.738 31.823 -0.183 0.000 0.968 378 V HN 0.603 nan 8.190 nan 0.000 0.483 379 I N 1.640 122.126 120.570 -0.140 0.000 2.892 379 I HA 0.839 5.008 4.170 -0.001 0.000 0.306 379 I C -0.266 175.818 176.117 -0.055 0.000 1.078 379 I CA -0.420 60.824 61.300 -0.093 0.000 1.032 379 I CB 2.392 40.351 38.000 -0.068 0.000 1.229 379 I HN 0.519 nan 8.210 nan 0.000 0.435 380 T N 0.161 114.707 114.554 -0.013 0.000 2.910 380 T HA 0.506 4.856 4.350 -0.001 0.000 0.287 380 T C -1.536 173.231 174.700 0.112 0.000 1.050 380 T CA -0.364 61.759 62.100 0.038 0.000 1.011 380 T CB 1.107 70.000 68.868 0.040 0.000 1.195 380 T HN 0.803 nan 8.240 nan 0.000 0.540 381 H N 0.510 119.601 119.070 0.034 0.000 2.970 381 H HA 0.642 5.198 4.556 -0.001 0.000 0.315 381 H C -1.487 173.868 175.328 0.045 0.000 0.992 381 H CA -0.333 55.737 56.048 0.037 0.000 1.363 381 H CB 0.694 30.489 29.762 0.055 0.000 1.532 381 H HN 0.367 nan 8.280 nan 0.000 0.514 382 V N 5.075 124.863 119.914 -0.211 0.000 2.487 382 V HA 0.222 4.341 4.120 -0.001 0.000 0.298 382 V C 0.171 176.136 176.094 -0.216 0.000 1.028 382 V CA -1.119 61.091 62.300 -0.150 0.000 0.860 382 V CB 1.445 33.218 31.823 -0.083 0.000 0.991 382 V HN 1.117 nan 8.190 nan 0.000 0.427 383 N N 3.434 122.047 118.700 -0.145 0.000 2.696 383 N HA -0.207 4.532 4.740 -0.001 0.000 0.256 383 N C 1.084 176.484 175.510 -0.182 0.000 1.031 383 N CA 0.458 53.435 53.050 -0.122 0.000 0.730 383 N CB -0.697 37.735 38.487 -0.092 0.000 0.894 383 N HN 1.528 nan 8.380 nan 0.000 0.544 384 G N -0.133 108.525 108.800 -0.235 0.000 2.187 384 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.261 384 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.261 384 G C -0.151 174.517 174.900 -0.386 0.000 1.000 384 G CA 1.226 46.187 45.100 -0.232 0.000 0.718 384 G HN 0.837 nan 8.290 nan 0.000 0.519 385 E N 0.017 119.848 120.200 -0.615 0.000 2.272 385 E HA 0.581 4.931 4.350 -0.001 0.000 0.269 385 E C -1.343 175.055 176.600 -0.336 0.000 0.877 385 E CA -1.295 54.894 56.400 -0.351 0.000 0.755 385 E CB 1.688 31.287 29.700 -0.168 0.000 1.192 385 E HN -0.007 nan 8.360 nan 0.000 0.422 386 D N 2.098 122.497 120.400 -0.001 0.000 2.389 386 D HA 0.182 4.821 4.640 -0.001 0.000 0.247 386 D C -0.670 175.633 176.300 0.005 0.000 1.128 386 D CA 0.175 54.247 54.000 0.120 0.000 0.884 386 D CB 1.147 42.036 40.800 0.147 0.000 1.194 386 D HN 0.333 nan 8.370 nan 0.000 0.441 387 K N 1.213 121.610 120.400 -0.005 0.000 2.482 387 K HA 0.344 4.664 4.320 -0.001 0.000 0.251 387 K C -1.052 175.519 176.600 -0.048 0.000 0.936 387 K CA -0.770 55.496 56.287 -0.034 0.000 0.791 387 K CB 1.888 34.363 32.500 -0.042 0.000 1.213 387 K HN 0.105 nan 8.250 nan 0.000 0.428 388 V N 3.370 123.242 119.914 -0.070 0.000 2.811 388 V HA 0.074 4.194 4.120 -0.001 0.000 0.302 388 V C -0.116 175.919 176.094 -0.099 0.000 1.063 388 V CA -0.392 61.844 62.300 -0.107 0.000 1.088 388 V CB 1.446 33.192 31.823 -0.127 0.000 0.982 388 V HN 0.465 nan 8.190 nan 0.000 0.485 389 V N 7.223 127.061 119.914 -0.126 0.000 2.348 389 V HA 0.255 4.375 4.120 -0.001 0.000 0.270 389 V C -2.199 173.825 176.094 -0.116 0.000 1.037 389 V CA -1.849 60.391 62.300 -0.100 0.000 0.872 389 V CB 1.099 32.864 31.823 -0.097 0.000 1.002 389 V HN 0.798 nan 8.190 nan 0.000 0.464 390 P HA 0.145 nan 4.420 nan 0.000 0.261 390 P C 1.041 178.319 177.300 -0.035 0.000 1.183 390 P CA 1.326 64.394 63.100 -0.054 0.000 0.761 390 P CB 0.500 32.184 31.700 -0.027 0.000 0.785 391 G N 1.745 110.541 108.800 -0.007 0.000 2.168 391 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.263 391 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.263 391 G C -0.318 174.629 174.900 0.080 0.000 0.977 391 G CA -0.135 45.007 45.100 0.070 0.000 0.659 391 G HN 0.560 nan 8.290 nan 0.000 0.533 392 L N 0.310 121.501 121.223 -0.053 0.000 2.356 392 L HA 0.855 5.195 4.340 -0.001 0.000 0.277 392 L C -0.624 176.111 176.870 -0.225 0.000 0.996 392 L CA -1.807 53.003 54.840 -0.050 0.000 0.822 392 L CB 1.178 43.187 42.059 -0.084 0.000 1.256 392 L HN 0.140 nan 8.230 nan 0.000 0.413 393 Y N 3.023 123.267 120.300 -0.094 0.000 2.602 393 Y HA 0.885 5.434 4.550 -0.001 0.000 0.342 393 Y C -0.017 175.823 175.900 -0.100 0.000 1.029 393 Y CA -0.749 57.289 58.100 -0.103 0.000 1.080 393 Y CB 2.364 40.756 38.460 -0.113 0.000 1.284 393 Y HN 0.698 nan 8.280 nan 0.000 0.485 394 A N 0.833 123.682 122.820 0.047 0.000 2.547 394 A HA 0.825 5.144 4.320 -0.001 0.000 0.297 394 A C -1.311 176.269 177.584 -0.007 0.000 1.056 394 A CA -0.641 51.390 52.037 -0.010 0.000 0.688 394 A CB 0.530 19.494 19.000 -0.061 0.000 1.282 394 A HN 1.096 nan 8.150 nan 0.000 0.400 395 C N -0.289 119.010 119.300 -0.002 0.000 3.239 395 C HA 1.034 5.494 4.460 -0.001 0.000 0.317 395 C C 0.637 175.648 174.990 0.034 0.000 1.310 395 C CA -0.004 59.031 59.018 0.027 0.000 1.371 395 C CB 0.960 28.756 27.740 0.093 0.000 1.714 395 C HN 3.060 nan 8.230 nan 0.000 0.473 396 G N 0.747 109.594 108.800 0.078 0.000 2.627 396 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.214 396 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.214 396 G C 0.317 175.281 174.900 0.105 0.000 1.331 396 G CA 0.625 45.788 45.100 0.105 0.000 0.891 396 G HN 1.403 nan 8.290 nan 0.000 0.539 397 E N -0.091 120.178 120.200 0.115 0.000 2.267 397 E HA 0.032 4.382 4.350 -0.001 0.000 0.197 397 E C 2.644 179.216 176.600 -0.046 0.000 0.998 397 E CA 1.856 58.284 56.400 0.047 0.000 0.830 397 E CB -0.368 29.311 29.700 -0.034 0.000 0.751 397 E HN 1.031 nan 8.360 nan 0.000 0.491 398 A N 0.525 123.333 122.820 -0.021 0.000 2.119 398 A HA 0.231 4.551 4.320 -0.001 0.000 0.217 398 A C 1.156 178.718 177.584 -0.036 0.000 1.153 398 A CA 0.847 52.867 52.037 -0.028 0.000 0.692 398 A CB -0.149 18.831 19.000 -0.033 0.000 0.799 398 A HN 0.320 nan 8.150 nan 0.000 0.458 399 A N -0.873 121.923 122.820 -0.040 0.000 2.269 399 A HA 0.633 4.952 4.320 -0.001 0.000 0.319 399 A C 0.214 177.748 177.584 -0.083 0.000 1.110 399 A CA 0.023 52.012 52.037 -0.078 0.000 0.847 399 A CB 0.778 19.710 19.000 -0.113 0.000 1.161 399 A HN 0.449 nan 8.150 nan 0.000 0.497 400 S N 0.147 115.771 115.700 -0.126 0.000 2.542 400 S HA 0.471 4.940 4.470 -0.001 0.000 0.245 400 S C 0.829 175.300 174.600 -0.216 0.000 1.325 400 S CA 0.050 58.169 58.200 -0.136 0.000 1.176 400 S CB 0.260 63.386 63.200 -0.123 0.000 1.045 400 S HN 1.321 nan 8.310 nan 0.000 0.481 401 A N 3.057 125.705 122.820 -0.286 0.000 1.933 401 A HA 0.120 4.440 4.320 -0.001 0.000 0.218 401 A C 1.382 178.846 177.584 -0.199 0.000 1.175 401 A CA 1.126 52.958 52.037 -0.342 0.000 0.628 401 A CB -0.292 18.308 19.000 -0.668 0.000 0.814 401 A HN 0.779 nan 8.150 nan 0.000 0.444 402 S N -0.290 115.322 115.700 -0.146 0.000 2.448 402 S HA 0.385 4.855 4.470 -0.001 0.000 0.320 402 S C 0.767 175.275 174.600 -0.153 0.000 1.071 402 S CA -0.136 57.971 58.200 -0.155 0.000 1.113 402 S CB 1.232 64.391 63.200 -0.069 0.000 0.972 402 S HN 0.739 nan 8.310 nan 0.000 0.465 403 V N 3.005 122.725 119.914 -0.324 0.000 3.406 403 V HA 0.193 4.312 4.120 -0.001 0.000 0.263 403 V C 1.284 177.192 176.094 -0.310 0.000 1.172 403 V CA 0.676 62.783 62.300 -0.322 0.000 1.140 403 V CB -0.917 30.678 31.823 -0.379 0.000 0.784 403 V HN 0.913 nan 8.190 nan 0.000 0.467 404 H N 0.649 119.712 119.070 -0.011 0.000 2.740 404 H HA 0.425 4.981 4.556 -0.001 0.000 0.265 404 H C 1.895 177.183 175.328 -0.066 0.000 0.978 404 H CA 0.319 56.353 56.048 -0.023 0.000 1.198 404 H CB 0.393 30.182 29.762 0.045 0.000 1.467 404 H HN 0.508 nan 8.280 nan 0.000 0.511 405 G N 1.632 110.437 108.800 0.009 0.000 2.685 405 G HA2 -0.424 3.536 3.960 -0.001 0.000 0.329 405 G HA3 -0.424 3.536 3.960 -0.001 0.000 0.329 405 G C 1.270 176.007 174.900 -0.272 0.000 1.271 405 G CA 1.589 46.623 45.100 -0.110 0.000 1.003 405 G HN 0.584 nan 8.290 nan 0.000 0.549 406 A N 0.425 123.030 122.820 -0.358 0.000 2.275 406 A HA 0.479 4.799 4.320 -0.001 0.000 0.212 406 A C 0.857 178.449 177.584 0.013 0.000 1.201 406 A CA 1.411 53.181 52.037 -0.445 0.000 0.843 406 A CB -0.215 18.561 19.000 -0.373 0.000 0.873 406 A HN 1.480 nan 8.150 nan 0.000 0.492 407 N N -0.142 118.564 118.700 0.010 0.000 2.839 407 N HA 0.044 4.783 4.740 -0.001 0.000 0.258 407 N C -1.380 174.136 175.510 0.011 0.000 1.150 407 N CA -0.378 52.700 53.050 0.047 0.000 0.957 407 N CB 1.000 39.510 38.487 0.038 0.000 1.560 407 N HN 0.309 nan 8.380 nan 0.000 0.588 408 R N 3.888 124.376 120.500 -0.020 0.000 2.441 408 R HA 0.388 4.728 4.340 -0.001 0.000 0.284 408 R C -0.170 176.054 176.300 -0.127 0.000 1.070 408 R CA -0.306 55.704 56.100 -0.150 0.000 1.047 408 R CB 0.737 30.699 30.300 -0.563 0.000 1.016 408 R HN 0.498 nan 8.270 nan 0.000 0.477 409 L N 3.473 124.657 121.223 -0.066 0.000 2.349 409 L HA 0.275 4.614 4.340 -0.001 0.000 0.275 409 L C 1.108 177.978 176.870 0.001 0.000 1.115 409 L CA -0.450 54.383 54.840 -0.013 0.000 0.820 409 L CB 1.227 43.321 42.059 0.059 0.000 1.135 409 L HN 0.848 nan 8.230 nan 0.000 0.445 410 G N 2.050 110.913 108.800 0.105 0.000 2.391 410 G HA2 0.244 4.204 3.960 -0.001 0.000 0.234 410 G HA3 0.244 4.204 3.960 -0.001 0.000 0.234 410 G C 0.878 175.812 174.900 0.057 0.000 1.284 410 G CA 0.379 45.647 45.100 0.280 0.000 0.873 410 G HN 1.155 nan 8.290 nan 0.000 0.549 411 A N 1.433 124.170 122.820 -0.138 0.000 3.396 411 A HA -0.200 4.119 4.320 -0.001 0.000 0.267 411 A C 1.721 179.243 177.584 -0.103 0.000 1.139 411 A CA 1.494 53.351 52.037 -0.299 0.000 1.115 411 A CB -1.726 16.837 19.000 -0.728 0.000 1.133 411 A HN 0.651 nan 8.150 nan 0.000 0.920 412 N N -0.580 118.104 118.700 -0.025 0.000 2.353 412 N HA 0.114 4.854 4.740 -0.001 0.000 0.185 412 N C 1.632 177.211 175.510 0.116 0.000 1.098 412 N CA 1.188 54.300 53.050 0.104 0.000 0.872 412 N CB 0.158 38.760 38.487 0.191 0.000 0.970 412 N HN 0.685 nan 8.380 nan 0.000 0.467 413 S N 0.105 115.779 115.700 -0.043 0.000 2.377 413 S HA 0.141 4.610 4.470 -0.001 0.000 0.223 413 S C 1.797 176.454 174.600 0.095 0.000 1.030 413 S CA 0.362 58.559 58.200 -0.006 0.000 0.970 413 S CB -0.092 62.992 63.200 -0.194 0.000 0.830 413 S HN 0.207 nan 8.310 nan 0.000 0.473 414 L N 1.088 122.343 121.223 0.053 0.000 2.131 414 L HA -0.079 4.260 4.340 -0.001 0.000 0.210 414 L C 2.480 179.404 176.870 0.090 0.000 1.092 414 L CA 0.900 55.780 54.840 0.068 0.000 0.759 414 L CB -0.512 41.572 42.059 0.042 0.000 0.903 414 L HN 0.388 nan 8.230 nan 0.000 0.435 415 L N 0.334 121.615 121.223 0.096 0.000 2.027 415 L HA -0.227 4.113 4.340 -0.001 0.000 0.206 415 L C 2.195 179.147 176.870 0.136 0.000 1.074 415 L CA 2.057 56.958 54.840 0.102 0.000 0.745 415 L CB -0.748 41.384 42.059 0.122 0.000 0.898 415 L HN 0.223 nan 8.230 nan 0.000 0.433 416 D N -0.469 120.068 120.400 0.227 0.000 2.133 416 D HA -0.240 4.399 4.640 -0.001 0.000 0.195 416 D C 2.099 178.600 176.300 0.336 0.000 0.997 416 D CA 2.019 56.244 54.000 0.374 0.000 0.840 416 D CB -0.214 40.833 40.800 0.411 0.000 0.947 416 D HN 0.493 nan 8.370 nan 0.000 0.452 417 L N 0.152 121.503 121.223 0.213 0.000 2.017 417 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 417 L C 2.796 179.729 176.870 0.105 0.000 1.073 417 L CA 1.546 56.480 54.840 0.156 0.000 0.745 417 L CB -0.910 41.215 42.059 0.110 0.000 0.894 417 L HN 0.093 nan 8.230 nan 0.000 0.432 418 V N -4.146 115.813 119.914 0.075 0.000 2.591 418 V HA -0.070 4.049 4.120 -0.001 0.000 0.249 418 V C 2.293 178.374 176.094 -0.022 0.000 1.053 418 V CA 0.848 63.164 62.300 0.027 0.000 1.068 418 V CB -0.403 31.447 31.823 0.044 0.000 0.689 418 V HN 0.155 nan 8.190 nan 0.000 0.462 419 V N 0.035 119.918 119.914 -0.052 0.000 2.307 419 V HA -0.138 3.982 4.120 -0.001 0.000 0.245 419 V C 2.394 178.336 176.094 -0.254 0.000 1.045 419 V CA 2.458 64.632 62.300 -0.211 0.000 1.024 419 V CB -0.766 30.826 31.823 -0.385 0.000 0.651 419 V HN 0.515 nan 8.190 nan 0.000 0.449 420 F N 0.781 120.784 119.950 0.089 0.000 2.512 420 F HA 0.192 4.718 4.527 -0.001 0.000 0.296 420 F C 2.254 178.052 175.800 -0.004 0.000 1.110 420 F CA 0.834 58.871 58.000 0.062 0.000 1.446 420 F CB -1.017 38.014 39.000 0.052 0.000 1.092 420 F HN 0.165 nan 8.300 nan 0.000 0.554 421 G N 0.038 108.897 108.800 0.099 0.000 2.404 421 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.215 421 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.215 421 G C 1.807 176.651 174.900 -0.094 0.000 1.174 421 G CA 0.652 45.741 45.100 -0.019 0.000 0.780 421 G HN 0.247 nan 8.290 nan 0.000 0.537 422 R N 0.504 120.949 120.500 -0.092 0.000 2.081 422 R HA 0.054 4.393 4.340 -0.001 0.000 0.235 422 R C 2.848 179.100 176.300 -0.080 0.000 1.131 422 R CA 1.455 57.488 56.100 -0.112 0.000 0.960 422 R CB -0.384 29.867 30.300 -0.083 0.000 0.856 422 R HN 0.275 nan 8.270 nan 0.000 0.436 423 A N 0.431 123.233 122.820 -0.029 0.000 1.902 423 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 423 A C 2.468 180.014 177.584 -0.065 0.000 1.181 423 A CA 1.594 53.611 52.037 -0.033 0.000 0.623 423 A CB -0.965 18.005 19.000 -0.050 0.000 0.818 423 A HN 0.597 nan 8.150 nan 0.000 0.443 424 C N -1.041 118.231 119.300 -0.047 0.000 2.413 424 C HA -0.032 4.427 4.460 -0.001 0.000 0.276 424 C C 3.331 178.104 174.990 -0.361 0.000 1.236 424 C CA 0.944 59.871 59.018 -0.152 0.000 1.735 424 C CB -1.426 26.228 27.740 -0.143 0.000 2.031 424 C HN 0.713 nan 8.230 nan 0.000 0.474 425 A N 0.294 122.933 122.820 -0.302 0.000 1.865 425 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 425 A C 2.132 179.545 177.584 -0.285 0.000 1.191 425 A CA 1.673 53.503 52.037 -0.346 0.000 0.623 425 A CB -0.730 18.102 19.000 -0.281 0.000 0.826 425 A HN 0.612 nan 8.150 nan 0.000 0.444 426 L N -0.765 120.354 121.223 -0.172 0.000 2.012 426 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 426 L C 2.854 179.659 176.870 -0.109 0.000 1.073 426 L CA 1.969 56.747 54.840 -0.103 0.000 0.748 426 L CB -1.067 40.963 42.059 -0.049 0.000 0.891 426 L HN 0.379 nan 8.230 nan 0.000 0.431 427 T N 0.105 114.584 114.554 -0.124 0.000 2.720 427 T HA -0.177 4.173 4.350 -0.001 0.000 0.268 427 T C 1.892 176.530 174.700 -0.103 0.000 1.037 427 T CA 1.435 63.489 62.100 -0.076 0.000 1.144 427 T CB -0.215 68.664 68.868 0.019 0.000 0.864 427 T HN 0.206 nan 8.240 nan 0.000 0.444 428 I N 1.152 121.543 120.570 -0.298 0.000 2.252 428 I HA -0.141 4.029 4.170 -0.001 0.000 0.245 428 I C 2.870 178.844 176.117 -0.239 0.000 1.102 428 I CA 1.058 62.134 61.300 -0.373 0.000 1.385 428 I CB -0.422 37.142 38.000 -0.727 0.000 1.064 428 I HN 0.189 nan 8.210 nan 0.000 0.414 429 A N 0.880 123.563 122.820 -0.229 0.000 2.067 429 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 429 A C 2.007 179.662 177.584 0.118 0.000 1.158 429 A CA 1.556 53.651 52.037 0.097 0.000 0.661 429 A CB -0.588 18.488 19.000 0.127 0.000 0.801 429 A HN 0.664 nan 8.150 nan 0.000 0.452 430 E N -1.768 118.454 120.200 0.036 0.000 2.463 430 E HA 0.107 4.457 4.350 -0.001 0.000 0.193 430 E C 0.717 177.343 176.600 0.043 0.000 1.041 430 E CA 0.740 57.165 56.400 0.042 0.000 0.879 430 E CB 0.024 29.735 29.700 0.018 0.000 0.997 430 E HN 0.296 nan 8.360 nan 0.000 0.478 431 T N -0.474 114.112 114.554 0.054 0.000 2.989 431 T HA 0.208 4.557 4.350 -0.001 0.000 0.250 431 T C 0.264 175.015 174.700 0.085 0.000 0.981 431 T CA 0.170 62.304 62.100 0.057 0.000 0.980 431 T CB 0.452 69.353 68.868 0.055 0.000 1.133 431 T HN 0.229 nan 8.240 nan 0.000 0.489 432 C N 1.303 120.686 119.300 0.139 0.000 3.161 432 C HA 0.744 5.204 4.460 -0.001 0.000 0.330 432 C C -1.048 174.092 174.990 0.251 0.000 1.396 432 C CA -1.264 57.866 59.018 0.187 0.000 1.536 432 C CB 2.029 29.904 27.740 0.226 0.000 1.978 432 C HN 0.144 nan 8.230 nan 0.000 0.454 433 K N 0.707 121.194 120.400 0.146 0.000 2.371 433 K HA 0.490 4.809 4.320 -0.001 0.000 0.251 433 K C -2.916 173.549 176.600 -0.224 0.000 0.934 433 K CA -1.557 54.702 56.287 -0.047 0.000 0.798 433 K CB 1.561 34.035 32.500 -0.043 0.000 1.204 433 K HN 0.297 nan 8.250 nan 0.000 0.427 434 P HA 0.029 nan 4.420 nan 0.000 0.269 434 P C 0.748 177.918 177.300 -0.216 0.000 1.215 434 P CA 0.791 63.538 63.100 -0.588 0.000 0.780 434 P CB 0.481 31.761 31.700 -0.699 0.000 0.898 435 G N 0.388 109.127 108.800 -0.103 0.000 2.234 435 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.260 435 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.260 435 G C 0.192 175.080 174.900 -0.021 0.000 0.987 435 G CA -0.132 44.938 45.100 -0.051 0.000 0.625 435 G HN 0.568 nan 8.290 nan 0.000 0.532 436 E N 2.137 122.332 120.200 -0.008 0.000 2.438 436 E HA 0.284 4.633 4.350 -0.001 0.000 0.261 436 E C -1.677 174.936 176.600 0.021 0.000 1.103 436 E CA -0.695 55.712 56.400 0.012 0.000 0.959 436 E CB 0.385 30.105 29.700 0.033 0.000 0.958 436 E HN 0.312 nan 8.360 nan 0.000 0.447 437 P HA -0.077 nan 4.420 nan 0.000 0.266 437 P C -0.431 176.886 177.300 0.028 0.000 1.195 437 P CA 0.120 63.230 63.100 0.017 0.000 0.768 437 P CB 0.578 32.284 31.700 0.011 0.000 0.838 438 V N 5.286 125.215 119.914 0.026 0.000 2.530 438 V HA 0.221 4.341 4.120 -0.001 0.000 0.282 438 V C -1.762 174.350 176.094 0.031 0.000 1.048 438 V CA -1.933 60.389 62.300 0.037 0.000 0.997 438 V CB 0.371 32.214 31.823 0.034 0.000 0.987 438 V HN 0.567 nan 8.190 nan 0.000 0.477 439 P HA 0.147 nan 4.420 nan 0.000 0.269 439 P C -0.393 176.922 177.300 0.025 0.000 1.209 439 P CA 0.010 63.127 63.100 0.030 0.000 0.776 439 P CB 0.662 32.383 31.700 0.034 0.000 0.876 440 S N 1.179 116.889 115.700 0.017 0.000 2.610 440 S HA 0.610 5.079 4.470 -0.001 0.000 0.273 440 S C 0.519 175.127 174.600 0.014 0.000 1.274 440 S CA -0.626 57.581 58.200 0.012 0.000 1.023 440 S CB 0.248 63.452 63.200 0.007 0.000 0.962 440 S HN 0.464 nan 8.310 nan 0.000 0.523 441 I N -1.376 119.201 120.570 0.011 0.000 2.769 441 I HA 0.588 4.757 4.170 -0.001 0.000 0.298 441 I C -0.813 175.308 176.117 0.006 0.000 1.128 441 I CA -1.288 60.018 61.300 0.011 0.000 1.031 441 I CB 1.643 39.653 38.000 0.017 0.000 1.235 441 I HN 0.310 nan 8.210 nan 0.000 0.423 442 K N 4.092 124.495 120.400 0.005 0.000 2.469 442 K HA 0.135 4.455 4.320 -0.001 0.000 0.274 442 K C -1.767 174.833 176.600 0.001 0.000 0.983 442 K CA -0.770 55.519 56.287 0.002 0.000 0.974 442 K CB 0.311 32.813 32.500 0.003 0.000 0.913 442 K HN 0.438 nan 8.250 nan 0.000 0.493 443 P HA -0.185 nan 4.420 nan 0.000 0.218 443 P C 0.146 177.445 177.300 -0.001 0.000 1.146 443 P CA 1.230 64.328 63.100 -0.004 0.000 0.813 443 P CB 0.109 31.806 31.700 -0.005 0.000 0.778 444 N N -1.478 117.223 118.700 0.002 0.000 2.238 444 N HA 0.150 4.890 4.740 -0.001 0.000 0.222 444 N C 0.121 175.634 175.510 0.006 0.000 1.133 444 N CA -0.258 52.794 53.050 0.004 0.000 0.854 444 N CB -0.144 38.346 38.487 0.005 0.000 1.041 444 N HN -0.102 nan 8.380 nan 0.000 0.510 445 A N 0.345 123.169 122.820 0.006 0.000 2.546 445 A HA 0.466 4.786 4.320 -0.001 0.000 0.243 445 A C 1.510 179.102 177.584 0.013 0.000 1.063 445 A CA 0.700 52.743 52.037 0.010 0.000 0.757 445 A CB -0.619 18.389 19.000 0.013 0.000 0.991 445 A HN 0.760 nan 8.150 nan 0.000 0.503 446 G N 1.581 110.389 108.800 0.013 0.000 2.175 446 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.244 446 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.244 446 G C 0.759 175.661 174.900 0.004 0.000 0.982 446 G CA 0.970 46.078 45.100 0.014 0.000 0.641 446 G HN 1.230 nan 8.290 nan 0.000 0.527 447 E N 0.182 120.384 120.200 0.004 0.000 2.153 447 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 447 E C 1.799 178.397 176.600 -0.004 0.000 0.988 447 E CA 1.498 57.899 56.400 0.002 0.000 0.811 447 E CB -0.221 29.485 29.700 0.009 0.000 0.746 447 E HN 0.416 nan 8.360 nan 0.000 0.466 448 E N 1.122 121.321 120.200 -0.002 0.000 2.268 448 E HA -0.065 4.284 4.350 -0.001 0.000 0.195 448 E C 1.705 178.298 176.600 -0.011 0.000 0.995 448 E CA 1.190 57.588 56.400 -0.004 0.000 0.836 448 E CB -0.138 29.562 29.700 0.001 0.000 0.763 448 E HN 0.260 nan 8.360 nan 0.000 0.491 449 S N -0.939 114.753 115.700 -0.012 0.000 2.371 449 S HA -0.062 4.408 4.470 -0.001 0.000 0.224 449 S C 1.911 176.476 174.600 -0.058 0.000 1.029 449 S CA 0.973 59.163 58.200 -0.017 0.000 0.978 449 S CB -0.089 63.112 63.200 0.002 0.000 0.833 449 S HN 0.184 nan 8.310 nan 0.000 0.466 450 V N 2.028 121.894 119.914 -0.080 0.000 2.427 450 V HA -0.110 4.010 4.120 -0.001 0.000 0.248 450 V C 2.580 178.589 176.094 -0.143 0.000 1.051 450 V CA 1.544 63.738 62.300 -0.177 0.000 1.048 450 V CB -1.124 30.599 31.823 -0.167 0.000 0.666 450 V HN 0.517 nan 8.190 nan 0.000 0.456 451 A N 0.741 123.530 122.820 -0.053 0.000 1.930 451 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 451 A C 2.075 179.651 177.584 -0.014 0.000 1.175 451 A CA 2.073 54.106 52.037 -0.007 0.000 0.627 451 A CB -0.782 18.223 19.000 0.009 0.000 0.815 451 A HN 0.633 nan 8.150 nan 0.000 0.443 452 N N -0.063 118.619 118.700 -0.031 0.000 2.188 452 N HA -0.112 4.628 4.740 -0.001 0.000 0.184 452 N C 1.638 177.116 175.510 -0.053 0.000 1.018 452 N CA 1.460 54.491 53.050 -0.032 0.000 0.858 452 N CB -0.374 38.096 38.487 -0.027 0.000 0.989 452 N HN 0.458 nan 8.380 nan 0.000 0.426 453 L N -0.154 121.015 121.223 -0.089 0.000 2.083 453 L HA -0.136 4.204 4.340 -0.001 0.000 0.209 453 L C 1.659 178.465 176.870 -0.106 0.000 1.083 453 L CA 1.897 56.657 54.840 -0.134 0.000 0.752 453 L CB -0.448 41.482 42.059 -0.215 0.000 0.899 453 L HN 0.255 nan 8.230 nan 0.000 0.433 454 D N -0.569 119.803 120.400 -0.046 0.000 2.183 454 D HA -0.224 4.416 4.640 -0.001 0.000 0.203 454 D C 2.229 178.626 176.300 0.162 0.000 0.969 454 D CA 0.932 55.015 54.000 0.139 0.000 0.842 454 D CB 0.102 41.074 40.800 0.287 0.000 0.957 454 D HN 0.173 nan 8.370 nan 0.000 0.484 455 K N -0.113 120.335 120.400 0.079 0.000 2.026 455 K HA -0.112 4.207 4.320 -0.001 0.000 0.208 455 K C 2.035 178.644 176.600 0.015 0.000 1.048 455 K CA 0.985 57.310 56.287 0.064 0.000 0.929 455 K CB -0.059 32.449 32.500 0.014 0.000 0.713 455 K HN 0.224 nan 8.250 nan 0.000 0.439 456 L N 0.067 121.263 121.223 -0.044 0.000 2.156 456 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 456 L C 2.692 179.478 176.870 -0.140 0.000 1.095 456 L CA 0.813 55.603 54.840 -0.084 0.000 0.770 456 L CB -0.464 41.536 42.059 -0.098 0.000 0.914 456 L HN 0.221 nan 8.230 nan 0.000 0.439 457 R N 0.582 120.951 120.500 -0.218 0.000 2.091 457 R HA -0.170 4.170 4.340 -0.001 0.000 0.238 457 R C 1.481 177.398 176.300 -0.638 0.000 1.136 457 R CA 1.786 57.611 56.100 -0.459 0.000 0.959 457 R CB -0.057 29.867 30.300 -0.627 0.000 0.856 457 R HN 0.234 nan 8.270 nan 0.000 0.437 458 F N 0.324 120.272 119.950 -0.004 0.000 2.639 458 F HA 0.406 4.933 4.527 -0.001 0.000 0.302 458 F C 0.550 176.323 175.800 -0.045 0.000 1.097 458 F CA -0.411 57.578 58.000 -0.017 0.000 1.294 458 F CB 0.148 39.146 39.000 -0.003 0.000 1.027 458 F HN -0.020 nan 8.300 nan 0.000 0.550 459 A N 0.588 123.417 122.820 0.015 0.000 2.566 459 A HA 0.079 4.398 4.320 -0.001 0.000 0.245 459 A C 0.541 178.088 177.584 -0.062 0.000 1.056 459 A CA 0.505 52.530 52.037 -0.020 0.000 0.757 459 A CB -0.171 18.794 19.000 -0.058 0.000 0.979 459 A HN 0.246 nan 8.150 nan 0.000 0.508 460 D N 1.736 122.109 120.400 -0.045 0.000 2.895 460 D HA 0.334 4.973 4.640 -0.001 0.000 0.350 460 D C 0.944 177.208 176.300 -0.059 0.000 1.389 460 D CA 0.634 54.587 54.000 -0.078 0.000 0.812 460 D CB -0.126 40.652 40.800 -0.037 0.000 1.164 460 D HN 0.642 nan 8.370 nan 0.000 0.455 461 G N -0.950 107.821 108.800 -0.049 0.000 2.529 461 G HA2 0.113 4.073 3.960 -0.001 0.000 0.234 461 G HA3 0.113 4.073 3.960 -0.001 0.000 0.234 461 G C 0.795 175.687 174.900 -0.014 0.000 1.527 461 G CA 0.395 45.497 45.100 0.004 0.000 1.062 461 G HN 0.187 nan 8.290 nan 0.000 0.558 462 T N -0.133 114.435 114.554 0.023 0.000 2.975 462 T HA 0.297 4.647 4.350 -0.001 0.000 0.257 462 T C 0.511 175.223 174.700 0.020 0.000 1.003 462 T CA -0.047 62.055 62.100 0.003 0.000 0.932 462 T CB 0.041 68.894 68.868 -0.025 0.000 1.087 462 T HN 0.207 nan 8.240 nan 0.000 0.512 463 I N 4.020 124.615 120.570 0.040 0.000 2.390 463 I HA 0.394 4.563 4.170 -0.001 0.000 0.283 463 I C 0.187 176.330 176.117 0.044 0.000 1.016 463 I CA -1.042 60.287 61.300 0.049 0.000 1.151 463 I CB 1.257 39.295 38.000 0.062 0.000 1.293 463 I HN 0.107 nan 8.210 nan 0.000 0.458 464 R N 3.368 123.911 120.500 0.072 0.000 2.641 464 R HA 0.301 4.640 4.340 -0.001 0.000 0.269 464 R C 0.455 176.808 176.300 0.088 0.000 1.074 464 R CA -0.431 55.732 56.100 0.104 0.000 1.133 464 R CB 0.377 30.822 30.300 0.240 0.000 1.029 464 R HN 0.499 nan 8.270 nan 0.000 0.488 465 T N 1.323 115.927 114.554 0.082 0.000 2.624 465 T HA -0.274 4.076 4.350 -0.001 0.000 0.268 465 T C 1.917 176.660 174.700 0.070 0.000 1.041 465 T CA 2.490 64.627 62.100 0.061 0.000 1.159 465 T CB -0.428 68.472 68.868 0.054 0.000 0.863 465 T HN 0.843 nan 8.240 nan 0.000 0.434 466 S N 1.143 116.893 115.700 0.084 0.000 2.419 466 S HA -0.140 4.330 4.470 -0.001 0.000 0.233 466 S C 1.964 176.614 174.600 0.082 0.000 1.016 466 S CA 1.460 59.708 58.200 0.080 0.000 0.974 466 S CB -0.374 62.870 63.200 0.073 0.000 0.786 466 S HN 0.702 nan 8.310 nan 0.000 0.492 467 E N 1.673 121.921 120.200 0.081 0.000 2.046 467 E HA -0.010 4.339 4.350 -0.001 0.000 0.190 467 E C 2.153 178.793 176.600 0.067 0.000 0.982 467 E CA 0.870 57.313 56.400 0.073 0.000 0.800 467 E CB -0.484 29.258 29.700 0.070 0.000 0.756 467 E HN 0.643 nan 8.360 nan 0.000 0.449 468 A N 1.589 124.446 122.820 0.061 0.000 1.969 468 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 468 A C 2.219 179.840 177.584 0.062 0.000 1.169 468 A CA 1.278 53.347 52.037 0.054 0.000 0.635 468 A CB -0.510 18.514 19.000 0.040 0.000 0.810 468 A HN 0.211 nan 8.150 nan 0.000 0.445 469 R N -0.597 119.945 120.500 0.069 0.000 2.066 469 R HA -0.115 4.224 4.340 -0.001 0.000 0.232 469 R C 2.033 178.394 176.300 0.101 0.000 1.131 469 R CA 1.721 57.869 56.100 0.081 0.000 0.955 469 R CB -0.480 29.870 30.300 0.084 0.000 0.851 469 R HN 0.414 nan 8.270 nan 0.000 0.432 470 L N 2.054 123.344 121.223 0.112 0.000 2.042 470 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 470 L C 1.688 178.621 176.870 0.105 0.000 1.076 470 L CA 1.836 56.763 54.840 0.145 0.000 0.749 470 L CB -0.751 41.392 42.059 0.139 0.000 0.893 470 L HN 0.205 nan 8.230 nan 0.000 0.432 471 N N -0.490 118.254 118.700 0.073 0.000 2.069 471 N HA -0.271 4.468 4.740 -0.001 0.000 0.191 471 N C 1.893 177.431 175.510 0.048 0.000 1.031 471 N CA 2.044 55.124 53.050 0.050 0.000 0.852 471 N CB -0.471 38.043 38.487 0.044 0.000 1.018 471 N HN 0.527 nan 8.380 nan 0.000 0.423 472 M N 0.984 120.616 119.600 0.055 0.000 2.086 472 M HA -0.214 4.265 4.480 -0.001 0.000 0.261 472 M C 1.792 178.109 176.300 0.027 0.000 1.067 472 M CA 1.590 56.913 55.300 0.039 0.000 1.116 472 M CB -0.108 32.520 32.600 0.047 0.000 1.348 472 M HN 0.095 nan 8.290 nan 0.000 0.407 473 Q N 0.165 120.010 119.800 0.076 0.000 2.124 473 Q HA -0.176 4.164 4.340 -0.001 0.000 0.202 473 Q C 1.983 178.061 176.000 0.130 0.000 0.977 473 Q CA 1.685 57.559 55.803 0.117 0.000 0.850 473 Q CB -0.114 28.772 28.738 0.247 0.000 0.901 473 Q HN 0.587 nan 8.270 nan 0.000 0.429 474 K N -0.232 120.219 120.400 0.086 0.000 2.103 474 K HA -0.049 4.271 4.320 -0.001 0.000 0.204 474 K C 2.174 178.803 176.600 0.048 0.000 1.052 474 K CA 1.375 57.660 56.287 -0.003 0.000 0.945 474 K CB 0.023 32.467 32.500 -0.092 0.000 0.722 474 K HN 0.142 nan 8.250 nan 0.000 0.443 475 T N 1.600 116.192 114.554 0.063 0.000 2.674 475 T HA -0.125 4.225 4.350 -0.001 0.000 0.265 475 T C 1.843 176.622 174.700 0.131 0.000 1.039 475 T CA 1.177 63.353 62.100 0.127 0.000 1.150 475 T CB -0.049 68.832 68.868 0.022 0.000 0.864 475 T HN 0.076 nan 8.240 nan 0.000 0.427 476 M N 1.015 120.600 119.600 -0.025 0.000 2.108 476 M HA -0.083 4.397 4.480 -0.001 0.000 0.261 476 M C 2.397 178.696 176.300 -0.002 0.000 1.066 476 M CA 1.488 56.684 55.300 -0.173 0.000 1.107 476 M CB -1.276 30.924 32.600 -0.666 0.000 1.356 476 M HN 0.199 nan 8.290 nan 0.000 0.406 477 Q N 0.652 120.512 119.800 0.100 0.000 2.084 477 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 477 Q C 1.945 178.060 176.000 0.192 0.000 0.978 477 Q CA 2.252 58.236 55.803 0.302 0.000 0.844 477 Q CB -0.103 28.811 28.738 0.294 0.000 0.898 477 Q HN 0.607 nan 8.270 nan 0.000 0.426 478 S N -1.874 113.876 115.700 0.083 0.000 2.556 478 S HA 0.070 4.540 4.470 -0.001 0.000 0.216 478 S C 0.963 175.411 174.600 -0.253 0.000 0.970 478 S CA -0.079 58.080 58.200 -0.069 0.000 0.912 478 S CB -0.008 63.109 63.200 -0.139 0.000 0.790 478 S HN 0.437 nan 8.310 nan 0.000 0.504 479 H N 0.387 119.491 119.070 0.057 0.000 3.170 479 H HA 0.536 5.091 4.556 -0.001 0.000 0.264 479 H C 0.412 175.783 175.328 0.071 0.000 1.113 479 H CA 0.516 56.588 56.048 0.041 0.000 1.194 479 H CB 1.142 30.905 29.762 0.003 0.000 1.553 479 H HN 0.500 nan 8.280 nan 0.000 0.538 480 A N 0.929 123.883 122.820 0.224 0.000 3.292 480 A HA 0.634 4.953 4.320 -0.001 0.000 0.231 480 A C 0.447 178.277 177.584 0.410 0.000 0.952 480 A CA 0.059 52.257 52.037 0.268 0.000 1.044 480 A CB -0.237 18.917 19.000 0.257 0.000 1.236 480 A HN 0.243 nan 8.150 nan 0.000 0.525 481 A N -0.364 122.611 122.820 0.257 0.000 2.829 481 A HA 0.668 4.987 4.320 -0.001 0.000 0.248 481 A C 1.485 178.899 177.584 -0.283 0.000 1.654 481 A CA 0.469 52.586 52.037 0.133 0.000 0.860 481 A CB -0.498 18.522 19.000 0.033 0.000 1.696 481 A HN 0.703 nan 8.150 nan 0.000 0.576 482 V N -1.238 118.192 119.914 -0.806 0.000 2.282 482 V HA -0.147 3.972 4.120 -0.001 0.000 0.249 482 V C 0.496 176.210 176.094 -0.634 0.000 1.057 482 V CA 1.545 63.272 62.300 -0.955 0.000 1.032 482 V CB -0.923 30.358 31.823 -0.902 0.000 0.645 482 V HN 0.472 nan 8.190 nan 0.000 0.447 483 F N -0.678 119.144 119.950 -0.212 0.000 2.469 483 F HA 0.689 5.216 4.527 -0.001 0.000 0.332 483 F C 0.447 176.186 175.800 -0.102 0.000 1.103 483 F CA -0.747 57.171 58.000 -0.137 0.000 0.979 483 F CB 1.369 40.299 39.000 -0.116 0.000 1.137 483 F HN -0.139 nan 8.300 nan 0.000 0.463 484 R N 0.467 121.020 120.500 0.088 0.000 2.837 484 R HA 0.784 5.124 4.340 -0.001 0.000 0.271 484 R C -1.103 175.217 176.300 0.033 0.000 0.993 484 R CA -1.037 55.087 56.100 0.040 0.000 0.931 484 R CB 2.468 32.769 30.300 0.000 0.000 1.206 484 R HN 0.618 nan 8.270 nan 0.000 0.474 485 T N -1.134 113.444 114.554 0.040 0.000 2.894 485 T HA 0.313 4.663 4.350 -0.001 0.000 0.309 485 T C 0.946 175.681 174.700 0.059 0.000 1.208 485 T CA -0.065 62.060 62.100 0.041 0.000 1.016 485 T CB 1.641 70.519 68.868 0.018 0.000 1.192 485 T HN 0.662 nan 8.240 nan 0.000 0.491 486 G N 1.583 110.432 108.800 0.081 0.000 2.513 486 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.219 486 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.219 486 G C 1.778 176.713 174.900 0.059 0.000 1.160 486 G CA 1.816 46.969 45.100 0.088 0.000 0.767 486 G HN 0.966 nan 8.290 nan 0.000 0.571 487 S N 0.266 115.996 115.700 0.050 0.000 2.406 487 S HA 0.079 4.548 4.470 -0.001 0.000 0.228 487 S C 2.330 176.968 174.600 0.063 0.000 1.020 487 S CA 0.937 59.164 58.200 0.045 0.000 0.965 487 S CB -0.253 62.968 63.200 0.034 0.000 0.798 487 S HN 0.373 nan 8.310 nan 0.000 0.488 488 I N 1.285 121.904 120.570 0.081 0.000 2.286 488 I HA -0.075 4.095 4.170 -0.001 0.000 0.245 488 I C 2.370 178.609 176.117 0.203 0.000 1.104 488 I CA 0.865 62.262 61.300 0.162 0.000 1.397 488 I CB -0.398 37.654 38.000 0.088 0.000 1.072 488 I HN 0.252 nan 8.210 nan 0.000 0.417 489 L N 0.235 121.516 121.223 0.097 0.000 2.042 489 L HA -0.265 4.074 4.340 -0.001 0.000 0.210 489 L C 2.689 179.525 176.870 -0.057 0.000 1.076 489 L CA 1.614 56.474 54.840 0.034 0.000 0.749 489 L CB -0.622 41.446 42.059 0.015 0.000 0.893 489 L HN 0.314 nan 8.230 nan 0.000 0.432 490 Q N -0.485 119.291 119.800 -0.039 0.000 2.084 490 Q HA -0.267 4.073 4.340 -0.001 0.000 0.202 490 Q C 2.128 178.068 176.000 -0.099 0.000 0.978 490 Q CA 1.691 57.447 55.803 -0.077 0.000 0.844 490 Q CB -0.149 28.576 28.738 -0.021 0.000 0.898 490 Q HN 0.520 nan 8.270 nan 0.000 0.426 491 E N 0.236 120.396 120.200 -0.067 0.000 2.106 491 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 491 E C 2.007 178.405 176.600 -0.337 0.000 0.984 491 E CA 1.021 57.344 56.400 -0.128 0.000 0.806 491 E CB -0.150 29.529 29.700 -0.034 0.000 0.750 491 E HN 0.385 nan 8.360 nan 0.000 0.458 492 G N 0.515 109.048 108.800 -0.445 0.000 2.418 492 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 492 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 492 G C 1.692 176.412 174.900 -0.300 0.000 1.158 492 G CA 0.882 45.657 45.100 -0.541 0.000 0.771 492 G HN 0.390 nan 8.290 nan 0.000 0.545 493 C N 0.305 119.423 119.300 -0.303 0.000 2.429 493 C HA 0.011 4.470 4.460 -0.001 0.000 0.277 493 C C 2.818 177.715 174.990 -0.155 0.000 1.262 493 C CA 0.925 59.695 59.018 -0.414 0.000 1.733 493 C CB -0.432 26.840 27.740 -0.781 0.000 2.010 493 C HN 0.415 nan 8.230 nan 0.000 0.483 494 E N 0.990 121.121 120.200 -0.114 0.000 2.107 494 E HA -0.101 4.248 4.350 -0.001 0.000 0.191 494 E C 2.154 178.739 176.600 -0.025 0.000 0.982 494 E CA 0.876 57.263 56.400 -0.022 0.000 0.809 494 E CB -0.376 29.311 29.700 -0.020 0.000 0.756 494 E HN 0.622 nan 8.360 nan 0.000 0.459 495 K N 0.415 120.759 120.400 -0.093 0.000 2.026 495 K HA -0.046 4.274 4.320 -0.001 0.000 0.208 495 K C 2.321 178.909 176.600 -0.020 0.000 1.048 495 K CA 0.808 57.049 56.287 -0.077 0.000 0.929 495 K CB -0.186 32.216 32.500 -0.164 0.000 0.713 495 K HN 0.108 nan 8.250 nan 0.000 0.439 496 L N 0.685 121.894 121.223 -0.022 0.000 2.093 496 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 496 L C 2.407 179.345 176.870 0.114 0.000 1.085 496 L CA 0.992 55.857 54.840 0.042 0.000 0.755 496 L CB -0.328 41.752 42.059 0.034 0.000 0.904 496 L HN 0.147 nan 8.230 nan 0.000 0.435 497 S N -0.604 115.172 115.700 0.127 0.000 2.368 497 S HA -0.258 4.211 4.470 -0.001 0.000 0.225 497 S C 1.825 176.515 174.600 0.151 0.000 1.030 497 S CA 1.398 59.691 58.200 0.156 0.000 0.999 497 S CB -0.154 63.143 63.200 0.161 0.000 0.844 497 S HN 0.362 nan 8.310 nan 0.000 0.459 498 Q N 1.336 121.197 119.800 0.102 0.000 2.046 498 Q HA 0.055 4.394 4.340 -0.001 0.000 0.200 498 Q C 1.839 177.895 176.000 0.093 0.000 0.975 498 Q CA 1.497 57.352 55.803 0.086 0.000 0.836 498 Q CB -0.519 28.251 28.738 0.054 0.000 0.896 498 Q HN 0.571 nan 8.270 nan 0.000 0.428 499 I N -0.342 120.282 120.570 0.090 0.000 2.286 499 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 499 I C 1.918 178.093 176.117 0.098 0.000 1.115 499 I CA 1.244 62.594 61.300 0.082 0.000 1.392 499 I CB -0.339 37.706 38.000 0.074 0.000 1.065 499 I HN 0.269 nan 8.210 nan 0.000 0.418 500 Y N 1.731 122.043 120.300 0.019 0.000 2.145 500 Y HA -0.232 4.318 4.550 -0.001 0.000 0.286 500 Y C 2.711 178.610 175.900 -0.001 0.000 1.145 500 Y CA 1.605 59.710 58.100 0.008 0.000 1.148 500 Y CB -0.203 38.261 38.460 0.008 0.000 0.981 500 Y HN -0.041 nan 8.280 nan 0.000 0.507 501 R N -0.133 120.427 120.500 0.100 0.000 2.096 501 R HA -0.161 4.179 4.340 -0.001 0.000 0.235 501 R C 1.391 177.652 176.300 -0.065 0.000 1.127 501 R CA 1.468 57.572 56.100 0.008 0.000 0.968 501 R CB -0.334 30.009 30.300 0.071 0.000 0.861 501 R HN 0.359 nan 8.270 nan 0.000 0.440 502 D N 0.678 121.080 120.400 0.003 0.000 2.371 502 D HA -0.057 4.583 4.640 -0.001 0.000 0.221 502 D C 1.565 177.833 176.300 -0.053 0.000 0.986 502 D CA 0.552 54.588 54.000 0.060 0.000 0.899 502 D CB 0.024 40.898 40.800 0.124 0.000 0.902 502 D HN 0.224 nan 8.370 nan 0.000 0.530 503 L N 0.293 121.417 121.223 -0.165 0.000 2.450 503 L HA -0.094 4.246 4.340 -0.001 0.000 0.224 503 L C 2.272 179.004 176.870 -0.230 0.000 1.149 503 L CA 0.439 55.162 54.840 -0.194 0.000 0.816 503 L CB -0.318 41.556 42.059 -0.309 0.000 0.932 503 L HN -0.004 nan 8.230 nan 0.000 0.449 504 A N -1.030 121.587 122.820 -0.339 0.000 2.067 504 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 504 A C 1.563 178.852 177.584 -0.491 0.000 1.158 504 A CA 1.033 52.806 52.037 -0.440 0.000 0.661 504 A CB -0.481 18.184 19.000 -0.557 0.000 0.801 504 A HN 0.455 nan 8.150 nan 0.000 0.452 505 H N -0.789 118.248 119.070 -0.056 0.000 2.507 505 H HA 0.338 4.893 4.556 -0.001 0.000 0.294 505 H C -0.021 175.278 175.328 -0.049 0.000 1.064 505 H CA -0.418 55.603 56.048 -0.044 0.000 1.138 505 H CB -0.377 29.366 29.762 -0.032 0.000 1.515 505 H HN 0.318 nan 8.280 nan 0.000 0.547 506 L N 1.441 122.655 121.223 -0.016 0.000 2.483 506 L HA 0.031 4.370 4.340 -0.001 0.000 0.276 506 L C 0.732 177.574 176.870 -0.046 0.000 1.213 506 L CA 0.642 55.466 54.840 -0.026 0.000 0.843 506 L CB 0.581 42.608 42.059 -0.053 0.000 1.107 506 L HN 0.066 nan 8.230 nan 0.000 0.487 507 K N 1.813 122.172 120.400 -0.069 0.000 2.507 507 K HA 0.440 4.759 4.320 -0.001 0.000 0.252 507 K C -0.797 175.668 176.600 -0.225 0.000 0.943 507 K CA -0.543 55.637 56.287 -0.177 0.000 0.808 507 K CB 1.509 33.875 32.500 -0.224 0.000 1.142 507 K HN 0.703 nan 8.250 nan 0.000 0.426 508 T N -0.232 114.163 114.554 -0.265 0.000 2.940 508 T HA 0.523 4.872 4.350 -0.001 0.000 0.288 508 T C 0.274 174.779 174.700 -0.325 0.000 1.045 508 T CA -0.602 61.406 62.100 -0.153 0.000 1.018 508 T CB 0.787 69.614 68.868 -0.068 0.000 1.151 508 T HN 0.422 nan 8.240 nan 0.000 0.529 509 F N -1.133 118.807 119.950 -0.017 0.000 2.640 509 F HA 0.362 4.888 4.527 -0.001 0.000 0.285 509 F C 0.990 176.783 175.800 -0.011 0.000 1.031 509 F CA -0.554 57.444 58.000 -0.004 0.000 1.240 509 F CB 0.213 39.215 39.000 0.004 0.000 1.011 509 F HN 0.470 nan 8.300 nan 0.000 0.656 510 D N 1.531 122.037 120.400 0.176 0.000 2.383 510 D HA 0.104 4.744 4.640 -0.001 0.000 0.252 510 D C 0.854 177.153 176.300 -0.002 0.000 1.166 510 D CA 0.260 54.308 54.000 0.079 0.000 0.879 510 D CB 0.854 41.687 40.800 0.054 0.000 1.164 510 D HN -0.048 nan 8.370 nan 0.000 0.462 511 R N 2.486 122.991 120.500 0.008 0.000 2.362 511 R HA 0.228 4.567 4.340 -0.001 0.000 0.227 511 R C 0.946 177.225 176.300 -0.035 0.000 0.905 511 R CA -0.350 55.722 56.100 -0.048 0.000 1.067 511 R CB 0.286 30.644 30.300 0.098 0.000 1.078 511 R HN 0.379 nan 8.270 nan 0.000 0.516 512 G N 0.518 109.317 108.800 -0.002 0.000 2.621 512 G HA2 0.236 4.195 3.960 -0.001 0.000 0.271 512 G HA3 0.236 4.195 3.960 -0.001 0.000 0.271 512 G C 0.456 175.356 174.900 -0.000 0.000 1.236 512 G CA -0.356 44.757 45.100 0.022 0.000 0.958 512 G HN 0.138 nan 8.290 nan 0.000 0.512 513 I N -1.461 119.129 120.570 0.034 0.000 4.433 513 I HA 0.232 4.401 4.170 -0.001 0.000 0.322 513 I C 0.683 176.822 176.117 0.038 0.000 1.284 513 I CA 0.070 61.392 61.300 0.037 0.000 1.269 513 I CB 0.799 38.849 38.000 0.085 0.000 1.219 513 I HN 0.132 nan 8.210 nan 0.000 0.436 514 V N 2.517 122.477 119.914 0.076 0.000 2.439 514 V HA 0.019 4.138 4.120 -0.001 0.000 0.271 514 V C -0.342 175.879 176.094 0.212 0.000 1.040 514 V CA -0.063 62.314 62.300 0.129 0.000 1.002 514 V CB -0.832 31.085 31.823 0.158 0.000 1.000 514 V HN 0.614 nan 8.190 nan 0.000 0.477 515 W N 3.881 125.182 121.300 0.002 0.000 6.486 515 W HA -0.219 4.440 4.660 -0.000 0.000 0.411 515 W C 0.871 177.381 176.519 -0.015 0.000 1.595 515 W CA 0.467 57.810 57.345 -0.002 0.000 1.075 515 W CB -0.776 28.689 29.460 0.008 0.000 2.798 515 W HN 0.728 nan 8.180 nan 0.000 1.534 516 N N 0.799 119.515 118.700 0.026 0.000 2.719 516 N HA 0.111 4.850 4.740 -0.001 0.000 0.243 516 N C 1.287 176.771 175.510 -0.044 0.000 1.104 516 N CA 0.888 53.944 53.050 0.010 0.000 0.981 516 N CB 0.640 39.103 38.487 -0.041 0.000 1.290 516 N HN 0.218 nan 8.380 nan 0.000 0.513 517 T N -0.803 113.767 114.554 0.028 0.000 3.035 517 T HA -0.104 4.245 4.350 -0.001 0.000 0.268 517 T C 1.279 175.966 174.700 -0.020 0.000 1.109 517 T CA 0.581 62.679 62.100 -0.002 0.000 1.119 517 T CB 0.118 69.047 68.868 0.101 0.000 0.900 517 T HN 0.257 nan 8.240 nan 0.000 0.503 518 D N 1.238 121.637 120.400 -0.002 0.000 2.097 518 D HA -0.067 4.573 4.640 -0.001 0.000 0.197 518 D C 1.907 178.184 176.300 -0.038 0.000 0.984 518 D CA 0.742 54.748 54.000 0.010 0.000 0.826 518 D CB -0.433 40.398 40.800 0.051 0.000 0.973 518 D HN 0.362 nan 8.370 nan 0.000 0.460 519 L N 0.191 121.364 121.223 -0.084 0.000 2.005 519 L HA -0.078 4.262 4.340 -0.001 0.000 0.207 519 L C 2.399 179.140 176.870 -0.215 0.000 1.072 519 L CA 1.401 56.154 54.840 -0.144 0.000 0.744 519 L CB -0.765 41.192 42.059 -0.170 0.000 0.895 519 L HN -0.046 nan 8.230 nan 0.000 0.433 520 V N 0.059 119.807 119.914 -0.277 0.000 2.392 520 V HA -0.304 3.815 4.120 -0.001 0.000 0.249 520 V C 2.508 178.434 176.094 -0.279 0.000 1.059 520 V CA 2.155 64.186 62.300 -0.448 0.000 1.051 520 V CB -0.766 30.794 31.823 -0.439 0.000 0.658 520 V HN 0.533 nan 8.190 nan 0.000 0.455 521 E N -0.424 119.700 120.200 -0.128 0.000 2.274 521 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 521 E C 2.191 178.771 176.600 -0.033 0.000 0.996 521 E CA 1.432 57.807 56.400 -0.040 0.000 0.840 521 E CB -0.131 29.570 29.700 0.001 0.000 0.772 521 E HN 0.625 nan 8.360 nan 0.000 0.491 522 T N 1.064 115.578 114.554 -0.067 0.000 2.896 522 T HA -0.028 4.322 4.350 -0.001 0.000 0.263 522 T C 1.929 176.596 174.700 -0.054 0.000 1.050 522 T CA 0.470 62.541 62.100 -0.050 0.000 1.140 522 T CB -0.031 68.800 68.868 -0.063 0.000 0.877 522 T HN 0.078 nan 8.240 nan 0.000 0.457 523 L N 0.833 121.990 121.223 -0.110 0.000 2.017 523 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 523 L C 2.734 179.641 176.870 0.062 0.000 1.073 523 L CA 1.481 56.279 54.840 -0.070 0.000 0.745 523 L CB -0.522 41.389 42.059 -0.248 0.000 0.894 523 L HN 0.303 nan 8.230 nan 0.000 0.432 524 E N -0.186 120.062 120.200 0.079 0.000 2.153 524 E HA -0.262 4.087 4.350 -0.001 0.000 0.194 524 E C 2.060 178.719 176.600 0.098 0.000 0.988 524 E CA 1.046 57.545 56.400 0.164 0.000 0.811 524 E CB -0.144 29.657 29.700 0.168 0.000 0.746 524 E HN 0.270 nan 8.360 nan 0.000 0.466 525 L N 1.294 122.553 121.223 0.060 0.000 2.046 525 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 525 L C 2.065 178.969 176.870 0.056 0.000 1.077 525 L CA 1.789 56.661 54.840 0.054 0.000 0.747 525 L CB -0.314 41.767 42.059 0.036 0.000 0.896 525 L HN 0.043 nan 8.230 nan 0.000 0.432 526 Q N -0.547 119.280 119.800 0.044 0.000 2.096 526 Q HA -0.201 4.138 4.340 -0.001 0.000 0.204 526 Q C 1.944 177.993 176.000 0.082 0.000 0.982 526 Q CA 1.702 57.540 55.803 0.057 0.000 0.850 526 Q CB -0.232 28.526 28.738 0.034 0.000 0.901 526 Q HN 0.605 nan 8.270 nan 0.000 0.422 527 N N 0.652 119.396 118.700 0.072 0.000 2.080 527 N HA -0.113 4.627 4.740 -0.001 0.000 0.189 527 N C 1.904 177.420 175.510 0.011 0.000 1.036 527 N CA 0.948 54.024 53.050 0.044 0.000 0.846 527 N CB -0.402 38.124 38.487 0.066 0.000 1.015 527 N HN 0.172 nan 8.380 nan 0.000 0.423 528 L N 0.522 121.769 121.223 0.040 0.000 2.013 528 L HA -0.171 4.168 4.340 -0.001 0.000 0.212 528 L C 2.380 179.256 176.870 0.010 0.000 1.073 528 L CA 1.074 55.935 54.840 0.035 0.000 0.753 528 L CB -0.337 41.766 42.059 0.073 0.000 0.890 528 L HN 0.165 nan 8.230 nan 0.000 0.432 529 M N -0.778 118.855 119.600 0.055 0.000 2.159 529 M HA -0.195 4.284 4.480 -0.001 0.000 0.263 529 M C 2.331 178.646 176.300 0.026 0.000 1.063 529 M CA 1.748 57.103 55.300 0.091 0.000 1.110 529 M CB -0.887 31.847 32.600 0.225 0.000 1.374 529 M HN 0.278 nan 8.290 nan 0.000 0.411 530 L N -1.253 119.970 121.223 0.001 0.000 2.093 530 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 530 L C 2.580 179.346 176.870 -0.174 0.000 1.085 530 L CA 0.809 55.591 54.840 -0.096 0.000 0.755 530 L CB -0.597 41.422 42.059 -0.067 0.000 0.904 530 L HN 0.326 nan 8.230 nan 0.000 0.435 531 C N -0.348 118.807 119.300 -0.241 0.000 2.453 531 C HA -0.094 4.365 4.460 -0.001 0.000 0.277 531 C C 3.146 177.951 174.990 -0.309 0.000 1.262 531 C CA 0.689 59.416 59.018 -0.484 0.000 1.718 531 C CB -0.944 26.251 27.740 -0.907 0.000 2.031 531 C HN 0.611 nan 8.230 nan 0.000 0.480 532 A N 0.416 123.151 122.820 -0.143 0.000 1.908 532 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 532 A C 2.129 179.705 177.584 -0.014 0.000 1.181 532 A CA 1.531 53.546 52.037 -0.036 0.000 0.627 532 A CB -0.694 18.294 19.000 -0.019 0.000 0.818 532 A HN 0.610 nan 8.150 nan 0.000 0.445 533 L N -0.941 120.269 121.223 -0.022 0.000 1.989 533 L HA -0.307 4.033 4.340 -0.001 0.000 0.211 533 L C 2.977 179.918 176.870 0.118 0.000 1.071 533 L CA 1.989 56.862 54.840 0.057 0.000 0.749 533 L CB -0.623 41.386 42.059 -0.082 0.000 0.890 533 L HN 0.500 nan 8.230 nan 0.000 0.431 534 Q N -1.005 118.789 119.800 -0.010 0.000 2.124 534 Q HA -0.185 4.155 4.340 -0.001 0.000 0.202 534 Q C 2.153 178.171 176.000 0.031 0.000 0.977 534 Q CA 2.045 57.843 55.803 -0.008 0.000 0.850 534 Q CB -0.209 28.470 28.738 -0.099 0.000 0.901 534 Q HN 0.505 nan 8.270 nan 0.000 0.429 535 T N 1.175 115.743 114.554 0.022 0.000 2.652 535 T HA -0.160 4.190 4.350 -0.001 0.000 0.267 535 T C 1.792 176.514 174.700 0.036 0.000 1.039 535 T CA 1.124 63.261 62.100 0.062 0.000 1.153 535 T CB -0.211 68.746 68.868 0.149 0.000 0.863 535 T HN 0.246 nan 8.240 nan 0.000 0.428 536 I N -0.588 119.998 120.570 0.027 0.000 2.353 536 I HA -0.114 4.056 4.170 -0.001 0.000 0.248 536 I C 1.959 178.005 176.117 -0.118 0.000 1.119 536 I CA 1.208 62.482 61.300 -0.043 0.000 1.417 536 I CB -0.008 37.938 38.000 -0.090 0.000 1.078 536 I HN 0.243 nan 8.210 nan 0.000 0.421 537 Y N 0.531 120.814 120.300 -0.028 0.000 2.200 537 Y HA -0.124 4.425 4.550 -0.001 0.000 0.290 537 Y C 2.529 178.416 175.900 -0.021 0.000 1.137 537 Y CA 1.664 59.751 58.100 -0.022 0.000 1.163 537 Y CB -0.970 37.472 38.460 -0.030 0.000 0.988 537 Y HN 0.179 nan 8.280 nan 0.000 0.518 538 G N -0.486 108.374 108.800 0.102 0.000 2.440 538 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.218 538 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.218 538 G C 1.906 176.745 174.900 -0.102 0.000 1.154 538 G CA 1.026 46.141 45.100 0.024 0.000 0.767 538 G HN 0.473 nan 8.290 nan 0.000 0.552 539 A N 0.537 123.274 122.820 -0.140 0.000 1.908 539 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 539 A C 2.214 179.763 177.584 -0.058 0.000 1.181 539 A CA 2.093 54.022 52.037 -0.180 0.000 0.627 539 A CB -0.444 18.548 19.000 -0.014 0.000 0.818 539 A HN 0.343 nan 8.150 nan 0.000 0.445 540 E N 0.388 120.559 120.200 -0.048 0.000 2.110 540 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 540 E C 2.075 178.650 176.600 -0.043 0.000 0.988 540 E CA 1.344 57.722 56.400 -0.037 0.000 0.804 540 E CB -0.297 29.354 29.700 -0.082 0.000 0.745 540 E HN 0.487 nan 8.360 nan 0.000 0.458 541 A N 0.993 123.794 122.820 -0.030 0.000 1.970 541 A HA -0.039 4.280 4.320 -0.001 0.000 0.216 541 A C 1.831 179.223 177.584 -0.320 0.000 1.170 541 A CA 0.353 52.390 52.037 -0.000 0.000 0.645 541 A CB -0.277 18.845 19.000 0.204 0.000 0.816 541 A HN 0.097 nan 8.150 nan 0.000 0.447 542 R N 1.284 121.470 120.500 -0.523 0.000 2.387 542 R HA 0.123 4.462 4.340 -0.001 0.000 0.321 542 R C -0.851 174.925 176.300 -0.873 0.000 1.174 542 R CA 0.089 55.517 56.100 -1.120 0.000 1.002 542 R CB -0.214 29.618 30.300 -0.780 0.000 1.028 542 R HN 0.201 nan 8.270 nan 0.000 0.482 543 K N 4.868 124.510 120.400 -1.264 0.000 2.363 543 K HA 0.059 4.378 4.320 -0.001 0.000 0.240 543 K C -0.784 175.364 176.600 -0.754 0.000 1.169 543 K CA -0.143 55.537 56.287 -1.013 0.000 1.131 543 K CB 0.290 32.035 32.500 -1.259 0.000 1.771 543 K HN 0.685 nan 8.250 nan 0.000 0.380 544 E N -1.581 118.392 120.200 -0.378 0.000 2.432 544 E HA 0.315 4.664 4.350 -0.001 0.000 0.279 544 E C -1.342 175.276 176.600 0.030 0.000 1.099 544 E CA -1.066 55.299 56.400 -0.059 0.000 0.859 544 E CB 0.915 30.597 29.700 -0.030 0.000 1.402 544 E HN -0.073 nan 8.360 nan 0.000 0.451 545 S N 0.151 115.912 115.700 0.102 0.000 2.478 545 S HA 0.632 5.101 4.470 -0.001 0.000 0.312 545 S C -0.936 173.780 174.600 0.193 0.000 1.094 545 S CA -0.756 57.499 58.200 0.092 0.000 1.081 545 S CB 0.972 64.219 63.200 0.080 0.000 1.007 545 S HN 0.478 nan 8.310 nan 0.000 0.475 546 R N 1.924 122.594 120.500 0.283 0.000 2.510 546 R HA 0.531 4.870 4.340 -0.001 0.000 0.287 546 R C 0.718 177.250 176.300 0.386 0.000 1.084 546 R CA 0.268 56.568 56.100 0.334 0.000 0.934 546 R CB 0.793 31.328 30.300 0.392 0.000 1.201 546 R HN 0.887 nan 8.270 nan 0.000 0.431 547 G N 2.590 111.547 108.800 0.261 0.000 2.651 547 G HA2 -0.477 3.483 3.960 -0.001 0.000 0.315 547 G HA3 -0.477 3.483 3.960 -0.001 0.000 0.315 547 G C 0.825 175.867 174.900 0.235 0.000 1.258 547 G CA 0.749 45.984 45.100 0.224 0.000 1.002 547 G HN 0.903 nan 8.290 nan 0.000 0.551 548 A N -0.499 122.503 122.820 0.303 0.000 2.172 548 A HA 0.229 4.548 4.320 -0.001 0.000 0.216 548 A C 1.237 178.963 177.584 0.236 0.000 1.154 548 A CA 2.100 54.293 52.037 0.259 0.000 0.701 548 A CB -0.362 18.820 19.000 0.304 0.000 0.789 548 A HN 1.441 nan 8.150 nan 0.000 0.465 549 H N 0.004 119.160 119.070 0.144 0.000 2.640 549 H HA 0.608 5.164 4.556 -0.001 0.000 0.297 549 H C -0.361 174.970 175.328 0.006 0.000 1.073 549 H CA -0.255 55.772 56.048 -0.035 0.000 1.305 549 H CB 0.437 30.017 29.762 -0.304 0.000 1.404 549 H HN 0.187 nan 8.280 nan 0.000 0.459 550 A N 6.447 129.088 122.820 -0.298 0.000 2.304 550 A HA 0.562 4.881 4.320 -0.001 0.000 0.314 550 A C -0.489 176.955 177.584 -0.233 0.000 1.187 550 A CA -0.992 50.917 52.037 -0.212 0.000 0.810 550 A CB 0.637 19.524 19.000 -0.189 0.000 1.183 550 A HN 0.678 nan 8.150 nan 0.000 0.487 551 R N 2.196 122.593 120.500 -0.172 0.000 2.295 551 R HA 0.266 4.605 4.340 -0.001 0.000 0.324 551 R C -0.043 176.280 176.300 0.039 0.000 0.968 551 R CA -0.301 55.755 56.100 -0.073 0.000 0.837 551 R CB 1.424 31.711 30.300 -0.021 0.000 1.133 551 R HN 0.889 nan 8.270 nan 0.000 0.450 552 E N 0.878 121.103 120.200 0.041 0.000 2.482 552 E HA -0.116 4.233 4.350 -0.001 0.000 0.196 552 E C 0.264 176.831 176.600 -0.054 0.000 1.047 552 E CA 0.749 57.150 56.400 0.001 0.000 0.869 552 E CB 0.406 30.078 29.700 -0.046 0.000 0.836 552 E HN 0.523 nan 8.360 nan 0.000 0.520 553 D N -0.822 119.537 120.400 -0.068 0.000 2.389 553 D HA -0.091 4.548 4.640 -0.001 0.000 0.206 553 D C -0.084 175.899 176.300 -0.527 0.000 1.055 553 D CA 0.138 53.990 54.000 -0.248 0.000 0.856 553 D CB -0.027 40.644 40.800 -0.216 0.000 0.957 553 D HN 0.166 nan 8.370 nan 0.000 0.509 554 Y N 0.524 120.815 120.300 -0.014 0.000 2.520 554 Y HA 0.317 4.867 4.550 -0.001 0.000 0.339 554 Y C 0.804 176.705 175.900 0.002 0.000 1.113 554 Y CA -0.725 57.373 58.100 -0.003 0.000 1.255 554 Y CB 1.272 39.718 38.460 -0.024 0.000 1.099 554 Y HN -0.291 nan 8.280 nan 0.000 0.628 555 K N 0.866 121.325 120.400 0.099 0.000 2.439 555 K HA 0.098 4.418 4.320 -0.001 0.000 0.197 555 K C 0.071 176.740 176.600 0.114 0.000 1.041 555 K CA 0.671 57.013 56.287 0.093 0.000 0.970 555 K CB 0.413 32.949 32.500 0.061 0.000 0.773 555 K HN 0.415 nan 8.250 nan 0.000 0.479 556 L N 0.892 122.196 121.223 0.135 0.000 2.344 556 L HA 0.353 4.692 4.340 -0.001 0.000 0.272 556 L C 0.304 177.272 176.870 0.163 0.000 1.035 556 L CA -1.075 53.848 54.840 0.139 0.000 0.807 556 L CB 1.158 43.295 42.059 0.131 0.000 1.237 556 L HN -0.032 nan 8.230 nan 0.000 0.442 557 R N 2.068 122.667 120.500 0.166 0.000 2.298 557 R HA 0.427 4.766 4.340 -0.001 0.000 0.310 557 R C -0.944 175.477 176.300 0.202 0.000 1.068 557 R CA -0.277 55.938 56.100 0.193 0.000 0.957 557 R CB 0.430 30.845 30.300 0.192 0.000 1.003 557 R HN 0.554 nan 8.270 nan 0.000 0.454 558 I N 5.259 125.979 120.570 0.249 0.000 2.337 558 I HA 0.172 4.342 4.170 -0.001 0.000 0.285 558 I C -0.330 175.931 176.117 0.241 0.000 1.041 558 I CA -0.543 60.908 61.300 0.252 0.000 1.199 558 I CB 1.204 39.403 38.000 0.330 0.000 1.370 558 I HN 0.533 nan 8.210 nan 0.000 0.470 559 D N 4.852 125.350 120.400 0.164 0.000 2.529 559 D HA 0.092 4.732 4.640 -0.001 0.000 0.273 559 D C 1.263 177.446 176.300 -0.194 0.000 1.197 559 D CA -0.348 53.700 54.000 0.081 0.000 1.070 559 D CB 0.872 41.817 40.800 0.242 0.000 1.134 559 D HN 0.503 nan 8.370 nan 0.000 0.590 560 E N 0.016 119.894 120.200 -0.537 0.000 2.347 560 E HA -0.097 4.253 4.350 -0.001 0.000 0.196 560 E C 0.000 176.170 176.600 -0.718 0.000 1.008 560 E CA 0.904 56.781 56.400 -0.872 0.000 0.852 560 E CB 0.067 29.239 29.700 -0.880 0.000 0.783 560 E HN 0.350 nan 8.360 nan 0.000 0.505 561 F N 0.087 119.879 119.950 -0.264 0.000 2.650 561 F HA 0.262 4.789 4.527 -0.001 0.000 0.320 561 F C -0.226 175.372 175.800 -0.337 0.000 1.091 561 F CA -1.400 56.355 58.000 -0.408 0.000 0.962 561 F CB 1.540 40.043 39.000 -0.828 0.000 1.363 561 F HN -0.281 nan 8.300 nan 0.000 0.482 562 D N 0.734 121.104 120.400 -0.049 0.000 2.456 562 D HA 0.113 4.753 4.640 -0.001 0.000 0.219 562 D C -0.077 176.169 176.300 -0.091 0.000 1.126 562 D CA -0.020 53.968 54.000 -0.019 0.000 0.890 562 D CB 0.131 40.931 40.800 0.001 0.000 1.025 562 D HN 0.395 nan 8.370 nan 0.000 0.511 563 Y N 1.305 121.604 120.300 -0.001 0.000 2.553 563 Y HA -0.067 4.482 4.550 -0.001 0.000 0.303 563 Y C 2.356 178.213 175.900 -0.073 0.000 1.194 563 Y CA 0.376 58.436 58.100 -0.067 0.000 1.305 563 Y CB 0.123 38.497 38.460 -0.144 0.000 1.045 563 Y HN 0.373 nan 8.280 nan 0.000 0.514 564 S N -1.547 114.194 115.700 0.068 0.000 2.548 564 S HA 0.172 4.642 4.470 -0.001 0.000 0.215 564 S C 0.439 175.043 174.600 0.007 0.000 0.976 564 S CA -0.266 57.956 58.200 0.036 0.000 0.908 564 S CB 0.149 63.372 63.200 0.038 0.000 0.781 564 S HN 0.174 nan 8.310 nan 0.000 0.519 565 K N 1.054 121.444 120.400 -0.016 0.000 2.352 565 K HA 0.586 4.906 4.320 -0.001 0.000 0.240 565 K C -3.187 173.370 176.600 -0.073 0.000 1.017 565 K CA -2.598 53.667 56.287 -0.037 0.000 0.851 565 K CB 0.798 33.276 32.500 -0.036 0.000 1.261 565 K HN -0.063 nan 8.250 nan 0.000 0.451 566 P HA 0.098 nan 4.420 nan 0.000 0.271 566 P C 0.148 177.350 177.300 -0.163 0.000 1.216 566 P CA -0.025 63.014 63.100 -0.102 0.000 0.771 566 P CB 0.491 32.146 31.700 -0.075 0.000 0.864 567 L N 0.525 121.604 121.223 -0.241 0.000 2.291 567 L HA -0.077 4.262 4.340 -0.001 0.000 0.214 567 L C 1.232 177.930 176.870 -0.287 0.000 1.120 567 L CA 0.593 55.194 54.840 -0.399 0.000 0.799 567 L CB -0.476 41.229 42.059 -0.590 0.000 0.925 567 L HN 0.445 nan 8.230 nan 0.000 0.446 568 Q N 1.325 121.016 119.800 -0.181 0.000 2.275 568 Q HA 0.082 4.422 4.340 -0.001 0.000 0.293 568 Q C 1.042 176.988 176.000 -0.090 0.000 1.129 568 Q CA 1.070 56.801 55.803 -0.119 0.000 0.971 568 Q CB -0.002 28.685 28.738 -0.084 0.000 1.098 568 Q HN 0.387 nan 8.270 nan 0.000 0.386 569 G N 3.034 111.791 108.800 -0.071 0.000 2.179 569 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.260 569 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.260 569 G C -0.009 174.881 174.900 -0.017 0.000 0.977 569 G CA 0.313 45.392 45.100 -0.035 0.000 0.641 569 G HN 0.623 nan 8.290 nan 0.000 0.533 570 Q N -0.357 119.422 119.800 -0.034 0.000 2.394 570 Q HA 0.447 4.786 4.340 -0.001 0.000 0.248 570 Q C 0.200 176.289 176.000 0.149 0.000 0.992 570 Q CA -0.103 55.723 55.803 0.039 0.000 0.888 570 Q CB 0.820 29.567 28.738 0.015 0.000 1.257 570 Q HN 0.291 nan 8.270 nan 0.000 0.462 571 Q N 2.451 122.336 119.800 0.141 0.000 2.360 571 Q HA 0.135 4.475 4.340 -0.001 0.000 0.254 571 Q C -1.162 174.878 176.000 0.067 0.000 0.975 571 Q CA -0.159 55.710 55.803 0.109 0.000 0.912 571 Q CB 0.779 29.543 28.738 0.044 0.000 1.212 571 Q HN 0.303 nan 8.270 nan 0.000 0.452 572 K N 3.621 124.032 120.400 0.017 0.000 2.451 572 K HA 0.073 4.392 4.320 -0.001 0.000 0.280 572 K C -0.542 175.889 176.600 -0.282 0.000 1.020 572 K CA 0.027 56.036 56.287 -0.463 0.000 1.008 572 K CB 0.495 32.734 32.500 -0.435 0.000 0.917 572 K HN 0.635 nan 8.250 nan 0.000 0.478 573 R N 4.831 125.133 120.500 -0.330 0.000 2.390 573 R HA 0.182 4.521 4.340 -0.001 0.000 0.291 573 R C -2.210 174.085 176.300 -0.009 0.000 1.070 573 R CA -1.814 54.215 56.100 -0.120 0.000 1.014 573 R CB 0.414 30.671 30.300 -0.072 0.000 1.007 573 R HN 0.501 nan 8.270 nan 0.000 0.466 574 P HA -0.087 nan 4.420 nan 0.000 0.269 574 P C 0.128 177.464 177.300 0.061 0.000 1.209 574 P CA -0.056 63.069 63.100 0.042 0.000 0.776 574 P CB 0.364 32.064 31.700 -0.000 0.000 0.876 575 F N 2.567 122.464 119.950 -0.088 0.000 2.115 575 F HA -0.260 4.266 4.527 -0.001 0.000 0.300 575 F C 1.579 177.080 175.800 -0.498 0.000 1.092 575 F CA 1.930 59.773 58.000 -0.262 0.000 1.245 575 F CB -0.307 38.617 39.000 -0.127 0.000 0.995 575 F HN 0.346 nan 8.300 nan 0.000 0.481 576 E N -0.121 119.924 120.200 -0.258 0.000 2.478 576 E HA -0.095 4.255 4.350 -0.001 0.000 0.198 576 E C 1.316 177.616 176.600 -0.500 0.000 1.046 576 E CA 0.826 56.983 56.400 -0.405 0.000 0.870 576 E CB -0.239 29.362 29.700 -0.164 0.000 0.818 576 E HN 0.560 nan 8.360 nan 0.000 0.527 577 E N -0.642 119.304 120.200 -0.424 0.000 2.548 577 E HA 0.088 4.438 4.350 -0.001 0.000 0.206 577 E C -0.294 176.113 176.600 -0.321 0.000 1.005 577 E CA -0.089 56.117 56.400 -0.322 0.000 0.951 577 E CB 0.262 29.879 29.700 -0.137 0.000 1.035 577 E HN 0.439 nan 8.360 nan 0.000 0.470 578 H N -4.526 114.226 119.070 -0.531 0.000 2.931 578 H HA 0.372 4.927 4.556 -0.001 0.000 0.331 578 H C -0.653 174.229 175.328 -0.743 0.000 1.273 578 H CA -1.157 54.625 56.048 -0.444 0.000 1.171 578 H CB 0.248 29.873 29.762 -0.228 0.000 1.898 578 H HN -0.046 nan 8.280 nan 0.000 0.562 579 W N -0.634 120.664 121.300 -0.002 0.000 2.862 579 W HA 0.358 5.017 4.660 -0.001 0.000 0.376 579 W C 0.510 177.051 176.519 0.036 0.000 1.028 579 W CA -0.526 56.761 57.345 -0.098 0.000 1.757 579 W CB 0.893 30.328 29.460 -0.041 0.000 1.128 579 W HN 0.368 nan 8.180 nan 0.000 0.566 580 R N 3.480 124.221 120.500 0.401 0.000 3.268 580 R HA 0.108 4.447 4.340 -0.001 0.000 0.217 580 R C -0.182 176.226 176.300 0.180 0.000 1.568 580 R CA 0.434 56.696 56.100 0.270 0.000 1.322 580 R CB -0.815 29.615 30.300 0.216 0.000 1.280 580 R HN 0.017 nan 8.270 nan 0.000 0.667 581 K N 0.784 121.238 120.400 0.090 0.000 2.587 581 K HA 0.226 4.546 4.320 -0.001 0.000 0.276 581 K C -1.332 175.357 176.600 0.149 0.000 0.956 581 K CA -1.042 55.285 56.287 0.068 0.000 0.857 581 K CB 0.953 33.392 32.500 -0.103 0.000 1.431 581 K HN 0.164 nan 8.250 nan 0.000 0.420 582 H N 0.989 120.211 119.070 0.252 0.000 2.582 582 H HA 0.179 4.734 4.556 -0.001 0.000 0.345 582 H C -0.277 175.235 175.328 0.306 0.000 1.104 582 H CA 0.053 56.237 56.048 0.226 0.000 1.390 582 H CB 1.478 31.303 29.762 0.105 0.000 1.461 582 H HN 0.503 nan 8.280 nan 0.000 0.551 583 T N 4.488 119.293 114.554 0.419 0.000 2.817 583 T HA 0.348 4.697 4.350 -0.001 0.000 0.293 583 T C 0.682 175.372 174.700 -0.017 0.000 0.964 583 T CA -0.573 61.635 62.100 0.180 0.000 1.085 583 T CB 0.422 69.426 68.868 0.225 0.000 0.921 583 T HN 0.228 nan 8.240 nan 0.000 0.502 584 L N 3.379 124.479 121.223 -0.204 0.000 2.333 584 L HA 0.579 4.918 4.340 -0.001 0.000 0.280 584 L C 0.278 176.991 176.870 -0.261 0.000 1.004 584 L CA -0.740 53.969 54.840 -0.218 0.000 0.820 584 L CB 1.746 43.708 42.059 -0.162 0.000 1.247 584 L HN 0.716 nan 8.230 nan 0.000 0.416 585 S N 1.537 117.035 115.700 -0.336 0.000 2.536 585 S HA 0.807 5.277 4.470 -0.001 0.000 0.298 585 S C -1.189 173.155 174.600 -0.426 0.000 1.083 585 S CA -0.714 57.340 58.200 -0.243 0.000 0.995 585 S CB 1.730 64.846 63.200 -0.140 0.000 1.058 585 S HN 0.365 nan 8.310 nan 0.000 0.488 586 Y N -0.272 119.962 120.300 -0.109 0.000 2.553 586 Y HA 0.712 5.261 4.550 -0.001 0.000 0.347 586 Y C -0.608 175.212 175.900 -0.133 0.000 1.019 586 Y CA -1.119 56.918 58.100 -0.105 0.000 1.032 586 Y CB 2.209 40.616 38.460 -0.089 0.000 1.284 586 Y HN 0.633 nan 8.280 nan 0.000 0.466 587 V N 1.414 121.347 119.914 0.032 0.000 2.760 587 V HA 0.245 4.364 4.120 -0.001 0.000 0.309 587 V C -0.986 175.079 176.094 -0.047 0.000 1.077 587 V CA -1.115 61.141 62.300 -0.073 0.000 0.910 587 V CB 2.087 33.819 31.823 -0.150 0.000 1.008 587 V HN 0.811 nan 8.190 nan 0.000 0.424 588 D N 3.230 123.587 120.400 -0.073 0.000 2.365 588 D HA 0.180 4.820 4.640 -0.001 0.000 0.237 588 D C 0.912 177.195 176.300 -0.028 0.000 1.190 588 D CA -0.144 53.831 54.000 -0.041 0.000 0.867 588 D CB 2.030 42.801 40.800 -0.047 0.000 1.050 588 D HN 0.284 nan 8.370 nan 0.000 0.491 589 V N 4.950 124.870 119.914 0.009 0.000 2.490 589 V HA -0.220 3.900 4.120 -0.001 0.000 0.250 589 V C 2.441 178.628 176.094 0.155 0.000 1.061 589 V CA 1.535 63.881 62.300 0.077 0.000 1.064 589 V CB -0.284 31.579 31.823 0.068 0.000 0.670 589 V HN 0.547 nan 8.190 nan 0.000 0.461 590 K N 0.338 120.790 120.400 0.087 0.000 2.116 590 K HA -0.086 4.234 4.320 -0.001 0.000 0.203 590 K C 2.344 179.014 176.600 0.116 0.000 1.052 590 K CA 1.609 57.945 56.287 0.081 0.000 0.952 590 K CB -0.133 32.387 32.500 0.033 0.000 0.729 590 K HN 0.649 nan 8.250 nan 0.000 0.446 591 S N -1.350 114.404 115.700 0.091 0.000 2.456 591 S HA 0.134 4.604 4.470 -0.001 0.000 0.224 591 S C 1.535 176.199 174.600 0.107 0.000 1.035 591 S CA 0.497 58.746 58.200 0.081 0.000 0.940 591 S CB 0.638 63.848 63.200 0.016 0.000 0.799 591 S HN 0.382 nan 8.310 nan 0.000 0.508 592 G N 1.471 110.268 108.800 -0.006 0.000 2.176 592 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.232 592 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.232 592 G C -0.035 174.683 174.900 -0.303 0.000 0.986 592 G CA 0.154 45.053 45.100 -0.335 0.000 0.643 592 G HN 0.751 nan 8.290 nan 0.000 0.522 593 K N 0.936 121.223 120.400 -0.190 0.000 2.447 593 K HA 0.432 4.751 4.320 -0.001 0.000 0.281 593 K C 0.306 176.742 176.600 -0.274 0.000 1.031 593 K CA -0.225 55.928 56.287 -0.223 0.000 1.019 593 K CB 0.512 32.932 32.500 -0.133 0.000 0.918 593 K HN 0.046 nan 8.250 nan 0.000 0.476 594 V N 4.187 123.852 119.914 -0.416 0.000 2.439 594 V HA 0.221 4.341 4.120 -0.001 0.000 0.282 594 V C -0.136 175.836 176.094 -0.203 0.000 1.039 594 V CA -0.548 61.542 62.300 -0.350 0.000 0.913 594 V CB 1.711 33.198 31.823 -0.560 0.000 0.983 594 V HN 0.857 nan 8.190 nan 0.000 0.460 595 T N 6.482 120.997 114.554 -0.065 0.000 2.807 595 T HA 0.658 5.008 4.350 -0.001 0.000 0.279 595 T C -0.520 174.227 174.700 0.080 0.000 0.993 595 T CA -0.346 61.750 62.100 -0.006 0.000 0.970 595 T CB 1.006 69.849 68.868 -0.041 0.000 0.950 595 T HN 0.354 nan 8.240 nan 0.000 0.441 596 L N 3.331 124.578 121.223 0.040 0.000 2.329 596 L HA 0.659 4.999 4.340 -0.001 0.000 0.279 596 L C 0.121 176.924 176.870 -0.112 0.000 1.014 596 L CA -0.888 53.931 54.840 -0.035 0.000 0.814 596 L CB 1.662 43.712 42.059 -0.016 0.000 1.257 596 L HN 0.424 nan 8.230 nan 0.000 0.424 597 K N 1.843 122.080 120.400 -0.271 0.000 2.439 597 K HA 0.680 4.999 4.320 -0.001 0.000 0.260 597 K C -1.785 174.421 176.600 -0.656 0.000 1.032 597 K CA -0.920 55.235 56.287 -0.220 0.000 0.882 597 K CB 2.588 35.151 32.500 0.105 0.000 1.420 597 K HN 0.229 nan 8.250 nan 0.000 0.455 598 Y N 0.167 120.579 120.300 0.188 0.000 2.553 598 Y HA 0.451 5.000 4.550 -0.001 0.000 0.347 598 Y C -0.429 175.597 175.900 0.209 0.000 1.019 598 Y CA -1.082 57.131 58.100 0.187 0.000 1.032 598 Y CB 2.124 40.635 38.460 0.086 0.000 1.284 598 Y HN 0.490 nan 8.280 nan 0.000 0.466 599 R N 0.605 121.276 120.500 0.284 0.000 2.771 599 R HA 0.732 5.072 4.340 -0.001 0.000 0.274 599 R C -3.485 173.008 176.300 0.321 0.000 0.987 599 R CA -2.321 53.760 56.100 -0.031 0.000 0.908 599 R CB 2.064 32.011 30.300 -0.590 0.000 1.213 599 R HN 0.217 nan 8.270 nan 0.000 0.468 600 P HA 0.046 nan 4.420 nan 0.000 0.271 600 P C -0.464 176.992 177.300 0.260 0.000 1.218 600 P CA -0.507 62.783 63.100 0.317 0.000 0.780 600 P CB 0.750 32.545 31.700 0.159 0.000 0.901 601 V N 4.007 124.028 119.914 0.179 0.000 2.686 601 V HA 0.108 4.228 4.120 -0.001 0.000 0.295 601 V C 0.746 176.944 176.094 0.174 0.000 1.055 601 V CA -0.075 62.284 62.300 0.100 0.000 1.050 601 V CB 0.327 32.138 31.823 -0.019 0.000 0.984 601 V HN 0.376 nan 8.190 nan 0.000 0.482 602 I N 3.944 124.632 120.570 0.196 0.000 2.312 602 I HA 0.218 4.387 4.170 -0.001 0.000 0.291 602 I C 0.523 176.743 176.117 0.171 0.000 1.031 602 I CA -0.113 61.291 61.300 0.174 0.000 1.293 602 I CB 0.983 39.086 38.000 0.172 0.000 1.403 602 I HN 0.643 nan 8.210 nan 0.000 0.484 603 D N 4.877 125.379 120.400 0.169 0.000 2.355 603 D HA -0.002 4.637 4.640 -0.001 0.000 0.206 603 D C 0.956 177.374 176.300 0.197 0.000 1.010 603 D CA 0.273 54.385 54.000 0.187 0.000 0.875 603 D CB 0.274 41.183 40.800 0.182 0.000 0.966 603 D HN 0.517 nan 8.370 nan 0.000 0.512 604 R N 1.615 122.216 120.500 0.168 0.000 2.643 604 R HA 0.210 4.549 4.340 -0.001 0.000 0.270 604 R C 0.538 176.948 176.300 0.183 0.000 1.061 604 R CA 0.058 56.252 56.100 0.158 0.000 1.107 604 R CB 0.243 30.615 30.300 0.119 0.000 0.999 604 R HN -0.085 nan 8.270 nan 0.000 0.460 605 T N -0.369 114.304 114.554 0.197 0.000 2.891 605 T HA 0.218 4.567 4.350 -0.001 0.000 0.294 605 T C 1.347 176.135 174.700 0.146 0.000 1.065 605 T CA -0.910 61.348 62.100 0.264 0.000 0.936 605 T CB 0.503 69.537 68.868 0.277 0.000 1.415 605 T HN 0.598 nan 8.240 nan 0.000 0.572 606 L N 0.343 121.630 121.223 0.107 0.000 2.558 606 L HA 0.337 4.676 4.340 -0.001 0.000 0.225 606 L C 0.725 177.576 176.870 -0.032 0.000 1.128 606 L CA 0.309 55.011 54.840 -0.230 0.000 0.868 606 L CB -0.354 41.248 42.059 -0.762 0.000 1.006 606 L HN 0.684 nan 8.230 nan 0.000 0.454 607 N N -0.380 118.421 118.700 0.168 0.000 3.321 607 N HA -0.029 4.711 4.740 -0.001 0.000 0.217 607 N C 0.336 175.919 175.510 0.122 0.000 1.405 607 N CA -0.053 53.081 53.050 0.141 0.000 0.799 607 N CB 0.644 39.228 38.487 0.162 0.000 1.619 607 N HN -0.104 nan 8.380 nan 0.000 0.648 608 E N 1.665 121.914 120.200 0.082 0.000 2.147 608 E HA -0.201 4.149 4.350 -0.001 0.000 0.199 608 E C 0.663 177.279 176.600 0.028 0.000 1.005 608 E CA 2.000 58.432 56.400 0.054 0.000 0.810 608 E CB 0.357 30.089 29.700 0.054 0.000 0.736 608 E HN 0.654 nan 8.360 nan 0.000 0.460 609 E N -0.162 120.059 120.200 0.035 0.000 2.152 609 E HA -0.092 4.257 4.350 -0.001 0.000 0.192 609 E C 1.531 178.138 176.600 0.011 0.000 0.983 609 E CA 1.388 57.800 56.400 0.020 0.000 0.818 609 E CB -0.155 29.561 29.700 0.027 0.000 0.758 609 E HN 0.315 nan 8.360 nan 0.000 0.467 610 D N -1.342 119.078 120.400 0.034 0.000 2.277 610 D HA 0.005 4.644 4.640 -0.001 0.000 0.209 610 D C -0.524 175.725 176.300 -0.084 0.000 0.970 610 D CA 0.327 54.344 54.000 0.029 0.000 0.874 610 D CB 0.463 41.346 40.800 0.138 0.000 0.982 610 D HN 0.148 nan 8.370 nan 0.000 0.504 611 C N 1.574 120.790 119.300 -0.140 0.000 2.679 611 C HA 0.614 5.074 4.460 -0.001 0.000 0.354 611 C C -0.394 174.455 174.990 -0.235 0.000 1.067 611 C CA -0.641 58.151 59.018 -0.377 0.000 1.317 611 C CB -0.537 26.703 27.740 -0.833 0.000 1.843 611 C HN 0.309 nan 8.230 nan 0.000 0.459 612 S N 4.300 119.931 115.700 -0.115 0.000 2.584 612 S HA 0.514 4.983 4.470 -0.001 0.000 0.273 612 S C 0.229 174.911 174.600 0.137 0.000 1.311 612 S CA -0.207 57.997 58.200 0.006 0.000 1.034 612 S CB 1.525 64.725 63.200 0.000 0.000 0.939 612 S HN 1.112 nan 8.310 nan 0.000 0.513 613 S N 1.113 116.921 115.700 0.180 0.000 2.558 613 S HA 0.214 4.683 4.470 -0.001 0.000 0.288 613 S C -0.274 174.503 174.600 0.296 0.000 1.318 613 S CA -0.635 57.736 58.200 0.284 0.000 1.056 613 S CB -0.238 63.090 63.200 0.213 0.000 0.853 613 S HN 0.658 nan 8.310 nan 0.000 0.505 614 V N 8.423 128.561 119.914 0.373 0.000 2.318 614 V HA 0.377 4.497 4.120 -0.001 0.000 0.271 614 V C -1.800 174.514 176.094 0.367 0.000 1.030 614 V CA -1.717 60.810 62.300 0.378 0.000 0.844 614 V CB 0.866 32.949 31.823 0.433 0.000 1.015 614 V HN 0.781 nan 8.190 nan 0.000 0.460 615 P HA 0.254 nan 4.420 nan 0.000 0.272 615 P C -2.739 174.161 177.300 -0.667 0.000 1.223 615 P CA -1.660 61.358 63.100 -0.136 0.000 0.784 615 P CB 0.174 31.822 31.700 -0.087 0.000 0.923 616 P HA 0.179 nan 4.420 nan 0.000 0.266 616 P C -0.563 175.750 177.300 -1.645 0.000 1.193 616 P CA 0.732 62.461 63.100 -2.285 0.000 0.770 616 P CB 0.173 30.797 31.700 -1.792 0.000 0.836 617 A N 2.600 124.440 122.820 -1.634 0.000 2.588 617 A HA 0.591 4.910 4.320 -0.001 0.000 0.290 617 A C -0.806 176.547 177.584 -0.384 0.000 1.136 617 A CA -0.777 50.857 52.037 -0.671 0.000 0.681 617 A CB 0.555 19.335 19.000 -0.367 0.000 1.282 617 A HN 0.408 nan 8.150 nan 0.000 0.421 618 I N 0.941 121.440 120.570 -0.118 0.000 2.648 618 I HA 0.178 4.348 4.170 -0.001 0.000 0.284 618 I C 0.965 177.117 176.117 0.059 0.000 1.153 618 I CA 0.440 61.737 61.300 -0.005 0.000 1.426 618 I CB 0.547 38.558 38.000 0.020 0.000 1.381 618 I HN 0.606 nan 8.210 nan 0.000 0.571 619 R N 5.447 126.026 120.500 0.131 0.000 2.246 619 R HA 0.467 4.806 4.340 -0.001 0.000 0.332 619 R C -1.160 175.173 176.300 0.055 0.000 0.974 619 R CA -0.231 55.958 56.100 0.149 0.000 0.837 619 R CB 0.742 31.213 30.300 0.286 0.000 1.145 619 R HN 0.808 nan 8.270 nan 0.000 0.467 620 S N 2.844 118.482 115.700 -0.103 0.000 2.546 620 S HA 0.523 4.993 4.470 -0.001 0.000 0.274 620 S C -1.259 173.165 174.600 -0.293 0.000 1.121 620 S CA -0.834 57.325 58.200 -0.068 0.000 0.887 620 S CB 1.137 64.343 63.200 0.008 0.000 1.094 620 S HN 0.463 nan 8.310 nan 0.000 0.474 621 Y N 0.000 120.342 120.300 0.070 0.000 2.660 621 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 621 Y CA 0.000 58.132 58.100 0.054 0.000 1.940 621 Y CB 0.000 38.483 38.460 0.039 0.000 1.050 621 Y HN 0.000 nan 8.280 nan 0.000 0.758