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 2d5h_1_A DATA FIRST_RESID 6 DATA SEQUENCE FNEcQLNNLN ALEPDHRVES EGGLIETWNS QHPELQcAGV TVSKRTLNRN DATA SEQUENCE GLHLPSYSPY PQMIIVVQGK GAIGFAFPGc PETFXXXXXX XXXXXXXXXX DATA SEQUENCE XXQDSHQKIR HFNEGDVLVI PPGVPYWTYN TGDEPVVAIS LLDTSNFNNQ DATA SEQUENCE LDQNPRVFYL AGNPDIEHPE TMQXXXXXXX XXXXXXXXXX XXXEEGGSVL DATA SEQUENCE SGFSKHFLAQ SFNTNEDTAE KLRSPDDERK QIVTVEGGLS VISXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXN IcTMKLHENI ARPSRADFYN PKAGRISTLN DATA SEQUENCE SLTLPALRQF GLSAQYVVLY RNGIYSPHWN LNANSVIYVT RGKGRVRVVN DATA SEQUENCE XQGNAVFDGE LRRGQLLVVP QNFVVAEQGG EQGLEYVVFK THHNAVSSYI DATA SEQUENCE KDVFRAIPSE VLSNSYNLGQ SQVRQLKYQG NSGPLVNP 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 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.808 175.800 0.014 0.000 0.967 6 F CA 0.000 58.007 58.000 0.012 0.000 1.383 6 F CB 0.000 39.006 39.000 0.010 0.000 1.145 7 N N 2.590 121.243 118.700 -0.078 0.000 2.422 7 N HA 0.225 4.964 4.740 -0.000 0.000 0.264 7 N C 0.527 175.925 175.510 -0.187 0.000 1.063 7 N CA -0.380 52.620 53.050 -0.083 0.000 0.959 7 N CB 1.473 39.946 38.487 -0.023 0.000 1.087 7 N HN 0.527 nan 8.380 nan 0.000 0.483 8 E N 1.252 121.341 120.200 -0.185 0.000 2.025 8 E HA -0.029 4.321 4.350 -0.000 0.000 0.198 8 E C 1.051 177.588 176.600 -0.106 0.000 0.955 8 E CA 0.631 56.913 56.400 -0.196 0.000 0.862 8 E CB -0.076 29.520 29.700 -0.174 0.000 0.837 8 E HN 0.579 nan 8.360 nan 0.000 0.488 9 c N 1.456 120.010 118.600 -0.077 0.000 2.466 9 c HA -0.034 4.536 4.570 -0.000 0.000 0.283 9 c C 1.438 175.543 174.090 0.024 0.000 1.472 9 c CA -0.055 56.238 56.329 -0.059 0.000 1.765 9 c CB -1.141 41.307 42.510 -0.102 0.000 1.724 9 c HN 0.392 nan 8.230 nan 0.000 0.560 10 Q N 1.451 121.263 119.800 0.021 0.000 2.613 10 Q HA 0.343 4.683 4.340 -0.000 0.000 0.228 10 Q C -0.945 175.086 176.000 0.053 0.000 1.318 10 Q CA 0.515 56.349 55.803 0.052 0.000 0.907 10 Q CB -0.234 28.520 28.738 0.027 0.000 1.593 10 Q HN 0.640 nan 8.270 nan 0.000 0.559 11 L N 2.137 123.420 121.223 0.099 0.000 2.409 11 L HA 0.416 4.756 4.340 -0.000 0.000 0.262 11 L C 0.405 177.337 176.870 0.105 0.000 0.992 11 L CA -0.923 53.970 54.840 0.088 0.000 0.817 11 L CB 1.947 44.055 42.059 0.083 0.000 1.350 11 L HN 0.398 nan 8.230 nan 0.000 0.411 12 N N 0.423 119.165 118.700 0.069 0.000 2.322 12 N HA 0.073 4.813 4.740 -0.000 0.000 0.181 12 N C -0.322 175.227 175.510 0.066 0.000 1.088 12 N CA 0.309 53.388 53.050 0.049 0.000 0.885 12 N CB 0.598 39.100 38.487 0.026 0.000 1.013 12 N HN 0.530 nan 8.380 nan 0.000 0.472 13 N N 0.549 119.302 118.700 0.088 0.000 2.287 13 N HA 0.267 5.007 4.740 -0.000 0.000 0.289 13 N C -1.861 173.729 175.510 0.132 0.000 1.066 13 N CA -0.352 52.765 53.050 0.112 0.000 0.841 13 N CB 1.777 40.317 38.487 0.087 0.000 1.599 13 N HN -0.218 nan 8.380 nan 0.000 0.476 14 L N 2.396 123.731 121.223 0.186 0.000 2.322 14 L HA 0.496 4.836 4.340 -0.000 0.000 0.281 14 L C 0.171 177.149 176.870 0.180 0.000 1.014 14 L CA -0.466 54.451 54.840 0.129 0.000 0.815 14 L CB 1.149 43.245 42.059 0.062 0.000 1.247 14 L HN 0.462 nan 8.230 nan 0.000 0.421 15 N N 1.512 120.255 118.700 0.071 0.000 2.408 15 N HA 0.633 5.373 4.740 -0.000 0.000 0.280 15 N C -0.544 174.950 175.510 -0.028 0.000 1.002 15 N CA -0.708 52.396 53.050 0.089 0.000 0.907 15 N CB 1.764 40.289 38.487 0.064 0.000 1.161 15 N HN 0.757 nan 8.380 nan 0.000 0.488 16 A N 3.217 126.048 122.820 0.019 0.000 2.524 16 A HA 0.251 4.571 4.320 -0.000 0.000 0.250 16 A C -0.093 177.490 177.584 -0.002 0.000 1.078 16 A CA 0.145 52.148 52.037 -0.055 0.000 0.761 16 A CB -0.089 18.940 19.000 0.048 0.000 1.012 16 A HN 0.629 nan 8.150 nan 0.000 0.500 17 L N 2.314 123.516 121.223 -0.035 0.000 2.330 17 L HA 0.583 4.923 4.340 -0.000 0.000 0.271 17 L C 0.199 177.296 176.870 0.378 0.000 1.013 17 L CA -0.457 54.421 54.840 0.065 0.000 0.816 17 L CB 1.870 43.868 42.059 -0.102 0.000 1.287 17 L HN 0.774 nan 8.230 nan 0.000 0.435 18 E N 1.407 121.908 120.200 0.502 0.000 2.336 18 E HA 0.408 4.758 4.350 -0.000 0.000 0.267 18 E C -2.531 174.153 176.600 0.141 0.000 0.906 18 E CA -2.135 54.613 56.400 0.580 0.000 0.781 18 E CB 1.825 31.674 29.700 0.248 0.000 1.261 18 E HN 0.290 nan 8.360 nan 0.000 0.436 19 P HA -0.166 nan 4.420 nan 0.000 0.264 19 P C -0.504 176.587 177.300 -0.349 0.000 1.156 19 P CA 0.800 63.336 63.100 -0.939 0.000 0.756 19 P CB 0.501 31.776 31.700 -0.708 0.000 0.764 20 D N 0.044 120.296 120.400 -0.247 0.000 2.414 20 D HA 0.017 4.657 4.640 -0.000 0.000 0.237 20 D C 0.431 176.725 176.300 -0.011 0.000 0.975 20 D CA 1.226 55.212 54.000 -0.024 0.000 0.917 20 D CB -0.336 40.519 40.800 0.092 0.000 1.061 20 D HN 0.494 nan 8.370 nan 0.000 0.480 21 H N 0.246 119.228 119.070 -0.146 0.000 2.616 21 H HA 0.568 5.124 4.556 -0.000 0.000 0.353 21 H C -0.659 174.567 175.328 -0.171 0.000 1.170 21 H CA -0.786 55.183 56.048 -0.131 0.000 1.212 21 H CB 1.029 30.723 29.762 -0.114 0.000 1.653 21 H HN -0.165 nan 8.280 nan 0.000 0.537 22 R N 2.502 122.480 120.500 -0.869 0.000 2.548 22 R HA 0.567 4.907 4.340 -0.000 0.000 0.280 22 R C -2.034 173.892 176.300 -0.624 0.000 1.061 22 R CA -1.057 54.697 56.100 -0.576 0.000 0.915 22 R CB 1.137 31.233 30.300 -0.340 0.000 1.210 22 R HN 0.273 nan 8.270 nan 0.000 0.442 23 V N 2.185 121.889 119.914 -0.349 0.000 2.370 23 V HA 0.230 4.350 4.120 -0.000 0.000 0.279 23 V C 0.091 176.098 176.094 -0.145 0.000 1.029 23 V CA -0.470 61.710 62.300 -0.200 0.000 0.870 23 V CB 1.308 33.079 31.823 -0.087 0.000 0.984 23 V HN 0.855 nan 8.190 nan 0.000 0.451 24 E N 4.050 124.179 120.200 -0.119 0.000 1.986 24 E HA 0.347 4.696 4.350 -0.000 0.000 0.264 24 E C 0.109 176.669 176.600 -0.067 0.000 1.023 24 E CA -0.285 56.061 56.400 -0.089 0.000 0.834 24 E CB 0.605 30.257 29.700 -0.080 0.000 1.111 24 E HN 0.834 nan 8.360 nan 0.000 0.417 25 S N 2.202 117.864 115.700 -0.064 0.000 2.713 25 S HA 0.132 4.602 4.470 -0.000 0.000 0.283 25 S C 1.169 175.747 174.600 -0.038 0.000 1.161 25 S CA -0.680 57.490 58.200 -0.051 0.000 0.999 25 S CB 1.743 64.912 63.200 -0.051 0.000 1.039 25 S HN 0.681 nan 8.310 nan 0.000 0.548 26 E N 1.412 121.595 120.200 -0.027 0.000 2.048 26 E HA -0.166 4.184 4.350 -0.000 0.000 0.202 26 E C 0.988 177.581 176.600 -0.012 0.000 1.021 26 E CA 1.520 57.910 56.400 -0.016 0.000 0.825 26 E CB -0.714 28.982 29.700 -0.008 0.000 0.756 26 E HN 0.872 nan 8.360 nan 0.000 0.454 27 G N -0.306 108.490 108.800 -0.006 0.000 4.959 27 G HA2 0.545 4.505 3.960 -0.000 0.000 0.297 27 G HA3 0.545 4.505 3.960 -0.000 0.000 0.297 27 G C -0.352 174.538 174.900 -0.016 0.000 1.351 27 G CA 0.101 45.199 45.100 -0.003 0.000 1.016 27 G HN 0.517 nan 8.290 nan 0.000 0.592 28 G N -0.591 108.189 108.800 -0.035 0.000 2.320 28 G HA2 0.555 4.515 3.960 -0.000 0.000 0.296 28 G HA3 0.555 4.515 3.960 -0.000 0.000 0.296 28 G C -2.481 172.377 174.900 -0.070 0.000 1.306 28 G CA -0.664 44.403 45.100 -0.056 0.000 0.836 28 G HN 0.860 nan 8.290 nan 0.000 0.517 29 L N -0.495 120.675 121.223 -0.088 0.000 2.513 29 L HA 0.816 5.156 4.340 -0.000 0.000 0.261 29 L C -1.424 175.379 176.870 -0.113 0.000 0.945 29 L CA -0.599 54.183 54.840 -0.097 0.000 0.848 29 L CB 1.992 44.002 42.059 -0.082 0.000 1.334 29 L HN 0.580 nan 8.230 nan 0.000 0.407 30 I N 3.785 124.280 120.570 -0.126 0.000 2.439 30 I HA 0.395 4.565 4.170 -0.000 0.000 0.283 30 I C -0.768 175.246 176.117 -0.172 0.000 1.023 30 I CA -0.442 60.786 61.300 -0.120 0.000 1.100 30 I CB 1.785 39.740 38.000 -0.075 0.000 1.238 30 I HN 0.572 nan 8.210 nan 0.000 0.445 31 E N 5.127 125.211 120.200 -0.194 0.000 2.145 31 E HA 0.425 4.775 4.350 -0.000 0.000 0.270 31 E C -0.675 175.718 176.600 -0.344 0.000 0.906 31 E CA -0.599 55.618 56.400 -0.304 0.000 0.761 31 E CB 2.078 31.563 29.700 -0.358 0.000 1.116 31 E HN 0.572 nan 8.360 nan 0.000 0.408 32 T N -0.431 113.937 114.554 -0.309 0.000 2.841 32 T HA 0.390 4.739 4.350 -0.000 0.000 0.283 32 T C -0.455 174.163 174.700 -0.136 0.000 1.000 32 T CA -0.907 61.079 62.100 -0.190 0.000 0.977 32 T CB 1.000 69.716 68.868 -0.253 0.000 0.979 32 T HN 0.345 nan 8.240 nan 0.000 0.446 33 W N 2.582 123.928 121.300 0.077 0.000 2.351 33 W HA 0.319 4.979 4.660 -0.000 0.000 0.311 33 W C 0.803 177.426 176.519 0.172 0.000 1.168 33 W CA -0.785 56.645 57.345 0.142 0.000 1.200 33 W CB 0.752 30.291 29.460 0.131 0.000 1.221 33 W HN 0.817 nan 8.180 nan 0.000 0.519 34 N N 0.994 119.926 118.700 0.387 0.000 2.454 34 N HA -0.082 4.658 4.740 -0.000 0.000 0.260 34 N C 1.300 176.929 175.510 0.197 0.000 1.218 34 N CA 0.250 53.406 53.050 0.177 0.000 0.904 34 N CB 0.871 39.298 38.487 -0.099 0.000 1.065 34 N HN 0.356 nan 8.380 nan 0.000 0.462 35 S N 2.556 118.334 115.700 0.130 0.000 2.489 35 S HA -0.097 4.372 4.470 -0.000 0.000 0.228 35 S C 1.195 175.818 174.600 0.038 0.000 0.995 35 S CA 0.515 58.770 58.200 0.091 0.000 0.934 35 S CB 0.098 63.328 63.200 0.050 0.000 0.771 35 S HN 0.700 nan 8.310 nan 0.000 0.522 36 Q N 0.447 120.233 119.800 -0.023 0.000 2.482 36 Q HA 0.067 4.407 4.340 -0.000 0.000 0.209 36 Q C -0.256 175.712 176.000 -0.054 0.000 0.961 36 Q CA 0.263 56.035 55.803 -0.051 0.000 0.945 36 Q CB -0.078 28.612 28.738 -0.079 0.000 1.012 36 Q HN 0.646 nan 8.270 nan 0.000 0.515 37 H N 0.864 119.956 119.070 0.037 0.000 2.975 37 H HA 0.009 4.565 4.556 -0.000 0.000 0.303 37 H C -1.572 173.752 175.328 -0.006 0.000 1.023 37 H CA -1.756 54.310 56.048 0.030 0.000 1.473 37 H CB 0.869 30.663 29.762 0.054 0.000 1.498 37 H HN 0.005 nan 8.280 nan 0.000 0.549 38 P HA -0.207 nan 4.420 nan 0.000 0.218 38 P C 1.089 178.392 177.300 0.006 0.000 1.154 38 P CA 1.544 64.660 63.100 0.026 0.000 0.872 38 P CB 0.473 32.191 31.700 0.030 0.000 0.790 39 E N -1.208 119.005 120.200 0.023 0.000 2.110 39 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 39 E C 1.938 178.510 176.600 -0.046 0.000 0.988 39 E CA 0.934 57.316 56.400 -0.030 0.000 0.804 39 E CB -0.783 28.882 29.700 -0.058 0.000 0.745 39 E HN 0.147 nan 8.360 nan 0.000 0.458 40 L N 0.619 121.841 121.223 -0.002 0.000 2.095 40 L HA -0.081 4.259 4.340 -0.000 0.000 0.204 40 L C 2.219 179.069 176.870 -0.032 0.000 1.080 40 L CA 1.520 56.350 54.840 -0.015 0.000 0.759 40 L CB -1.226 40.858 42.059 0.042 0.000 0.914 40 L HN 0.235 nan 8.230 nan 0.000 0.439 41 Q N -1.018 118.768 119.800 -0.023 0.000 2.152 41 Q HA -0.279 4.061 4.340 -0.000 0.000 0.206 41 Q C 2.415 178.368 176.000 -0.079 0.000 0.985 41 Q CA 1.932 57.703 55.803 -0.054 0.000 0.863 41 Q CB -0.475 28.215 28.738 -0.079 0.000 0.904 41 Q HN 0.606 nan 8.270 nan 0.000 0.422 42 c N -0.113 118.435 118.600 -0.087 0.000 2.437 42 c HA 0.129 4.699 4.570 -0.000 0.000 0.283 42 c C 2.361 176.390 174.090 -0.102 0.000 1.424 42 c CA 0.764 57.030 56.329 -0.105 0.000 1.782 42 c CB -0.762 41.674 42.510 -0.122 0.000 1.833 42 c HN 0.506 nan 8.230 nan 0.000 0.532 43 A N -0.778 121.988 122.820 -0.089 0.000 2.197 43 A HA 0.488 4.808 4.320 -0.000 0.000 0.210 43 A C 1.831 179.375 177.584 -0.067 0.000 1.180 43 A CA 1.224 53.212 52.037 -0.082 0.000 0.846 43 A CB -0.776 18.173 19.000 -0.086 0.000 0.884 43 A HN 1.597 nan 8.150 nan 0.000 0.487 44 G N -0.477 108.285 108.800 -0.064 0.000 2.246 44 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.273 44 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.273 44 G C 0.188 175.028 174.900 -0.100 0.000 1.055 44 G CA 0.910 45.971 45.100 -0.065 0.000 0.851 44 G HN 1.883 nan 8.290 nan 0.000 0.500 45 V N -4.541 115.314 119.914 -0.098 0.000 3.206 45 V HA 0.995 5.115 4.120 -0.000 0.000 0.305 45 V C -0.280 175.764 176.094 -0.084 0.000 1.257 45 V CA 0.014 62.237 62.300 -0.130 0.000 1.057 45 V CB 1.860 33.606 31.823 -0.128 0.000 1.075 45 V HN 1.219 nan 8.190 nan 0.000 0.443 46 T N -0.013 114.493 114.554 -0.080 0.000 2.864 46 T HA 0.795 5.145 4.350 -0.000 0.000 0.299 46 T C -1.453 173.283 174.700 0.060 0.000 1.166 46 T CA -0.229 61.891 62.100 0.033 0.000 1.007 46 T CB 1.886 70.808 68.868 0.091 0.000 1.219 46 T HN 1.185 nan 8.240 nan 0.000 0.506 47 V N 1.832 121.864 119.914 0.196 0.000 2.960 47 V HA 0.871 4.991 4.120 -0.000 0.000 0.315 47 V C -0.284 176.096 176.094 0.477 0.000 1.087 47 V CA -0.873 61.577 62.300 0.251 0.000 0.982 47 V CB 1.969 33.827 31.823 0.058 0.000 1.039 47 V HN 0.903 nan 8.190 nan 0.000 0.437 48 S N 2.248 118.163 115.700 0.358 0.000 2.776 48 S HA 0.379 4.849 4.470 -0.000 0.000 0.284 48 S C -0.820 173.889 174.600 0.183 0.000 1.160 48 S CA -0.705 57.646 58.200 0.252 0.000 1.051 48 S CB 0.718 64.049 63.200 0.217 0.000 1.037 48 S HN 0.776 nan 8.310 nan 0.000 0.485 49 K N 4.207 124.676 120.400 0.114 0.000 2.312 49 K HA 0.369 4.689 4.320 -0.000 0.000 0.287 49 K C -0.531 176.063 176.600 -0.009 0.000 1.062 49 K CA -0.322 55.993 56.287 0.047 0.000 0.934 49 K CB 0.428 32.918 32.500 -0.017 0.000 1.027 49 K HN 0.599 nan 8.250 nan 0.000 0.478 50 R N 2.378 122.882 120.500 0.007 0.000 2.494 50 R HA 0.300 4.640 4.340 -0.000 0.000 0.305 50 R C -1.020 175.268 176.300 -0.019 0.000 0.959 50 R CA -0.662 55.422 56.100 -0.027 0.000 0.864 50 R CB 2.218 32.504 30.300 -0.022 0.000 1.159 50 R HN 0.478 nan 8.270 nan 0.000 0.446 51 T N 4.037 118.564 114.554 -0.045 0.000 2.815 51 T HA 0.358 4.708 4.350 -0.000 0.000 0.289 51 T C -0.355 174.321 174.700 -0.039 0.000 1.000 51 T CA -0.635 61.452 62.100 -0.023 0.000 0.958 51 T CB 0.752 69.606 68.868 -0.023 0.000 0.944 51 T HN 0.232 nan 8.240 nan 0.000 0.442 52 L N 4.373 125.588 121.223 -0.013 0.000 2.262 52 L HA 0.405 4.745 4.340 -0.000 0.000 0.288 52 L C 0.720 177.574 176.870 -0.027 0.000 1.035 52 L CA -0.700 54.130 54.840 -0.017 0.000 0.820 52 L CB 0.519 42.592 42.059 0.022 0.000 1.204 52 L HN 0.599 nan 8.230 nan 0.000 0.424 53 N N 2.817 121.498 118.700 -0.032 0.000 2.444 53 N HA 0.125 4.865 4.740 -0.000 0.000 0.255 53 N C 0.179 175.658 175.510 -0.052 0.000 1.255 53 N CA -0.658 52.372 53.050 -0.033 0.000 0.933 53 N CB 0.711 39.183 38.487 -0.025 0.000 1.143 53 N HN 0.485 nan 8.380 nan 0.000 0.453 54 R N 1.576 122.046 120.500 -0.050 0.000 2.474 54 R HA -0.248 4.092 4.340 -0.000 0.000 0.290 54 R C -0.202 176.057 176.300 -0.068 0.000 0.918 54 R CA 0.509 56.569 56.100 -0.067 0.000 1.130 54 R CB -0.151 30.126 30.300 -0.038 0.000 0.881 54 R HN 0.679 nan 8.270 nan 0.000 0.416 55 N N 0.966 119.580 118.700 -0.142 0.000 2.708 55 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 55 N C -0.240 175.274 175.510 0.007 0.000 1.123 55 N CA 1.463 54.462 53.050 -0.084 0.000 0.739 55 N CB -1.034 37.501 38.487 0.081 0.000 1.113 55 N HN 0.787 nan 8.380 nan 0.000 0.561 56 G N 0.336 109.083 108.800 -0.089 0.000 2.390 56 G HA2 0.498 4.458 3.960 -0.000 0.000 0.270 56 G HA3 0.498 4.458 3.960 -0.000 0.000 0.270 56 G C -0.206 174.774 174.900 0.134 0.000 1.211 56 G CA -0.343 44.775 45.100 0.030 0.000 0.842 56 G HN 0.170 nan 8.290 nan 0.000 0.519 57 L N 1.556 122.928 121.223 0.249 0.000 2.346 57 L HA 0.484 4.824 4.340 -0.000 0.000 0.276 57 L C -0.337 176.708 176.870 0.291 0.000 1.006 57 L CA -1.013 54.042 54.840 0.358 0.000 0.817 57 L CB 1.860 44.124 42.059 0.342 0.000 1.272 57 L HN 0.677 nan 8.230 nan 0.000 0.421 58 H N 5.312 124.491 119.070 0.182 0.000 2.641 58 H HA 0.389 4.945 4.556 -0.000 0.000 0.295 58 H C -0.550 174.844 175.328 0.111 0.000 1.070 58 H CA -1.020 55.096 56.048 0.114 0.000 1.257 58 H CB 0.755 30.548 29.762 0.051 0.000 1.393 58 H HN 0.639 nan 8.280 nan 0.000 0.464 59 L N 7.344 128.715 121.223 0.247 0.000 2.615 59 L HA -0.048 4.292 4.340 -0.000 0.000 0.284 59 L C -1.934 174.930 176.870 -0.010 0.000 1.237 59 L CA -1.415 53.520 54.840 0.159 0.000 0.905 59 L CB -0.108 42.089 42.059 0.229 0.000 1.149 59 L HN 0.555 nan 8.230 nan 0.000 0.499 60 P HA -0.034 nan 4.420 nan 0.000 0.268 60 P C -0.574 176.578 177.300 -0.247 0.000 1.189 60 P CA 0.353 63.371 63.100 -0.135 0.000 0.771 60 P CB 0.678 32.407 31.700 0.049 0.000 0.822 61 S N 0.675 116.186 115.700 -0.315 0.000 2.643 61 S HA 0.718 5.188 4.470 -0.000 0.000 0.266 61 S C -1.796 172.878 174.600 0.123 0.000 1.130 61 S CA -0.874 57.163 58.200 -0.271 0.000 0.817 61 S CB 0.925 63.560 63.200 -0.942 0.000 1.107 61 S HN 0.496 nan 8.310 nan 0.000 0.471 62 Y N -1.705 118.557 120.300 -0.062 0.000 2.581 62 Y HA 0.888 5.438 4.550 -0.000 0.000 0.337 62 Y C -0.938 174.908 175.900 -0.090 0.000 1.108 62 Y CA -0.998 57.071 58.100 -0.053 0.000 1.033 62 Y CB 1.116 39.514 38.460 -0.103 0.000 1.318 62 Y HN 0.774 nan 8.280 nan 0.000 0.459 63 S N 2.346 117.939 115.700 -0.180 0.000 2.568 63 S HA 0.470 4.940 4.470 -0.000 0.000 0.293 63 S C -2.469 171.882 174.600 -0.415 0.000 1.089 63 S CA -1.567 56.376 58.200 -0.428 0.000 0.945 63 S CB 2.207 64.897 63.200 -0.849 0.000 1.077 63 S HN 0.679 nan 8.310 nan 0.000 0.485 64 P HA 0.046 nan 4.420 nan 0.000 0.251 64 P C -0.875 176.404 177.300 -0.034 0.000 1.251 64 P CA 0.600 63.630 63.100 -0.117 0.000 0.763 64 P CB -0.534 31.206 31.700 0.066 0.000 1.067 65 Y N -3.274 117.006 120.300 -0.034 0.000 2.609 65 Y HA 0.712 5.262 4.550 -0.000 0.000 0.336 65 Y C -3.027 172.799 175.900 -0.124 0.000 1.129 65 Y CA -3.396 54.659 58.100 -0.075 0.000 1.040 65 Y CB 0.069 38.481 38.460 -0.080 0.000 1.310 65 Y HN -0.346 nan 8.280 nan 0.000 0.460 66 P HA 0.203 nan 4.420 nan 0.000 0.275 66 P C -1.467 175.790 177.300 -0.071 0.000 1.266 66 P CA -0.058 62.945 63.100 -0.161 0.000 0.793 66 P CB 1.343 32.899 31.700 -0.239 0.000 1.074 67 Q N -0.182 119.491 119.800 -0.213 0.000 2.309 67 Q HA 0.558 4.898 4.340 -0.000 0.000 0.273 67 Q C -0.885 174.976 176.000 -0.231 0.000 1.040 67 Q CA -0.548 55.148 55.803 -0.177 0.000 0.834 67 Q CB 2.737 31.372 28.738 -0.171 0.000 1.345 67 Q HN 0.412 nan 8.270 nan 0.000 0.414 68 M N 4.000 123.444 119.600 -0.260 0.000 2.114 68 M HA 0.523 5.003 4.480 -0.000 0.000 0.332 68 M C -1.779 174.395 176.300 -0.209 0.000 1.014 68 M CA -0.419 54.751 55.300 -0.217 0.000 0.956 68 M CB 0.698 33.165 32.600 -0.222 0.000 1.551 68 M HN 0.612 nan 8.290 nan 0.000 0.427 69 I N 5.746 126.269 120.570 -0.078 0.000 2.474 69 I HA 0.472 4.642 4.170 -0.000 0.000 0.294 69 I C -0.841 175.320 176.117 0.073 0.000 1.005 69 I CA -0.783 60.510 61.300 -0.012 0.000 1.113 69 I CB 2.111 40.063 38.000 -0.079 0.000 1.289 69 I HN 0.696 nan 8.210 nan 0.000 0.436 70 I N 6.745 127.403 120.570 0.146 0.000 2.411 70 I HA 0.319 4.489 4.170 -0.000 0.000 0.284 70 I C -0.675 175.487 176.117 0.076 0.000 1.012 70 I CA -0.716 60.651 61.300 0.112 0.000 1.119 70 I CB 1.261 39.336 38.000 0.124 0.000 1.261 70 I HN 0.239 nan 8.210 nan 0.000 0.448 71 V N 8.320 128.272 119.914 0.064 0.000 2.397 71 V HA -0.002 4.118 4.120 -0.000 0.000 0.262 71 V C 1.197 177.340 176.094 0.083 0.000 1.047 71 V CA 0.127 62.489 62.300 0.102 0.000 1.003 71 V CB 0.738 32.688 31.823 0.212 0.000 1.037 71 V HN 0.765 nan 8.190 nan 0.000 0.480 72 V N 1.875 121.843 119.914 0.089 0.000 2.500 72 V HA 0.111 4.230 4.120 -0.000 0.000 0.243 72 V C 0.753 176.893 176.094 0.078 0.000 1.039 72 V CA 0.776 63.123 62.300 0.080 0.000 1.053 72 V CB -0.244 31.661 31.823 0.136 0.000 0.695 72 V HN 0.790 nan 8.190 nan 0.000 0.463 73 Q N 0.198 120.051 119.800 0.088 0.000 2.294 73 Q HA 0.565 4.905 4.340 -0.000 0.000 0.264 73 Q C -0.418 175.619 176.000 0.063 0.000 0.992 73 Q CA 0.371 56.215 55.803 0.069 0.000 0.747 73 Q CB 1.355 30.134 28.738 0.069 0.000 1.262 73 Q HN 0.894 nan 8.270 nan 0.000 0.452 74 G N 2.739 111.564 108.800 0.042 0.000 2.343 74 G HA2 0.022 3.982 3.960 -0.000 0.000 0.465 74 G HA3 0.022 3.982 3.960 -0.000 0.000 0.465 74 G C -1.851 173.039 174.900 -0.016 0.000 1.282 74 G CA -0.343 44.767 45.100 0.017 0.000 0.996 74 G HN 0.734 nan 8.290 nan 0.000 0.521 75 K N -1.108 119.226 120.400 -0.109 0.000 2.533 75 K HA 0.921 5.240 4.320 -0.000 0.000 0.272 75 K C -0.009 176.288 176.600 -0.505 0.000 0.985 75 K CA -0.504 55.606 56.287 -0.296 0.000 0.876 75 K CB 2.092 34.462 32.500 -0.218 0.000 1.452 75 K HN 2.376 nan 8.250 nan 0.000 0.439 76 G N -0.452 107.759 108.800 -0.981 0.000 2.320 76 G HA2 0.540 4.500 3.960 -0.000 0.000 0.296 76 G HA3 0.540 4.500 3.960 -0.000 0.000 0.296 76 G C -1.933 172.469 174.900 -0.829 0.000 1.306 76 G CA -0.490 44.117 45.100 -0.821 0.000 0.836 76 G HN 0.775 nan 8.290 nan 0.000 0.517 77 A N -0.650 122.121 122.820 -0.081 0.000 2.356 77 A HA 0.911 5.231 4.320 -0.000 0.000 0.323 77 A C -0.790 176.959 177.584 0.276 0.000 1.119 77 A CA -0.726 51.429 52.037 0.198 0.000 0.790 77 A CB 1.457 20.669 19.000 0.353 0.000 1.273 77 A HN 1.697 nan 8.150 nan 0.000 0.452 78 I N 0.630 121.206 120.570 0.011 0.000 2.692 78 I HA 0.695 4.865 4.170 -0.000 0.000 0.293 78 I C -0.363 175.301 176.117 -0.755 0.000 1.200 78 I CA -0.331 60.700 61.300 -0.448 0.000 1.036 78 I CB 2.200 40.034 38.000 -0.277 0.000 1.258 78 I HN 0.855 nan 8.210 nan 0.000 0.421 79 G N 5.897 113.877 108.800 -1.367 0.000 2.662 79 G HA2 0.645 4.605 3.960 -0.000 0.000 0.302 79 G HA3 0.645 4.605 3.960 -0.000 0.000 0.302 79 G C -1.668 172.757 174.900 -0.791 0.000 1.389 79 G CA -0.397 44.190 45.100 -0.854 0.000 0.998 79 G HN 0.374 nan 8.290 nan 0.000 0.502 80 F N 0.726 120.466 119.950 -0.350 0.000 2.440 80 F HA 0.657 5.184 4.527 -0.000 0.000 0.328 80 F C 0.794 176.366 175.800 -0.379 0.000 1.070 80 F CA -1.117 56.584 58.000 -0.498 0.000 1.011 80 F CB 2.258 40.582 39.000 -1.126 0.000 1.226 80 F HN 0.532 nan 8.300 nan 0.000 0.491 81 A N 2.149 124.879 122.820 -0.149 0.000 3.079 81 A HA 0.510 4.830 4.320 -0.000 0.000 0.315 81 A C -1.130 176.419 177.584 -0.059 0.000 1.334 81 A CA -0.393 51.628 52.037 -0.026 0.000 1.048 81 A CB -1.332 17.689 19.000 0.035 0.000 1.156 81 A HN 0.467 nan 8.150 nan 0.000 0.523 82 F N 3.024 123.047 119.950 0.121 0.000 2.466 82 F HA 0.278 4.805 4.527 -0.000 0.000 0.363 82 F C -1.570 174.252 175.800 0.037 0.000 1.109 82 F CA -2.141 55.891 58.000 0.053 0.000 1.161 82 F CB 0.517 39.532 39.000 0.025 0.000 1.117 82 F HN 0.353 nan 8.300 nan 0.000 0.539 83 P HA 0.230 nan 4.420 nan 0.000 0.276 83 P C 0.637 177.993 177.300 0.092 0.000 1.230 83 P CA 0.223 63.386 63.100 0.105 0.000 0.776 83 P CB 1.475 33.207 31.700 0.053 0.000 0.888 84 G N 1.606 110.447 108.800 0.069 0.000 2.176 84 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.232 84 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.232 84 G C -0.078 174.852 174.900 0.050 0.000 0.986 84 G CA -0.199 44.927 45.100 0.044 0.000 0.643 84 G HN 0.676 nan 8.290 nan 0.000 0.522 85 c N 3.108 121.762 118.600 0.091 0.000 2.351 85 c HA 0.733 5.303 4.570 -0.000 0.000 0.326 85 c C -1.023 173.133 174.090 0.110 0.000 1.272 85 c CA -1.339 55.051 56.329 0.101 0.000 1.650 85 c CB 1.575 44.184 42.510 0.166 0.000 2.257 85 c HN 0.463 nan 8.230 nan 0.000 0.505 86 P HA 0.234 nan 4.420 nan 0.000 0.274 86 P C -0.315 177.060 177.300 0.126 0.000 1.256 86 P CA 0.107 63.262 63.100 0.092 0.000 0.795 86 P CB 0.939 32.683 31.700 0.073 0.000 1.038 87 E N -0.660 119.607 120.200 0.111 0.000 2.368 87 E HA 0.048 4.397 4.350 -0.000 0.000 0.188 87 E C 1.314 177.998 176.600 0.140 0.000 1.061 87 E CA 0.150 56.628 56.400 0.130 0.000 0.933 87 E CB -1.157 28.588 29.700 0.076 0.000 1.091 87 E HN 0.360 nan 8.360 nan 0.000 0.458 88 T N 0.819 115.463 114.554 0.151 0.000 2.515 88 T HA -0.282 4.068 4.350 -0.000 0.000 0.246 88 T C 0.746 175.597 174.700 0.252 0.000 1.268 88 T CA 1.602 63.803 62.100 0.169 0.000 1.136 88 T CB -0.395 68.573 68.868 0.166 0.000 0.847 88 T HN 0.266 nan 8.240 nan 0.000 0.442 109 D N 0.719 120.989 120.400 -0.216 0.000 2.560 109 D HA 0.458 5.098 4.640 -0.000 0.000 0.277 109 D C 0.165 176.263 176.300 -0.336 0.000 1.194 109 D CA -0.344 53.501 54.000 -0.259 0.000 1.092 109 D CB 1.260 41.889 40.800 -0.283 0.000 1.169 109 D HN 0.473 nan 8.370 nan 0.000 0.607 110 S N -0.315 115.188 115.700 -0.328 0.000 2.486 110 S HA 0.310 4.780 4.470 -0.000 0.000 0.144 110 S C -0.737 173.786 174.600 -0.128 0.000 1.542 110 S CA -0.820 57.244 58.200 -0.226 0.000 1.262 110 S CB -0.302 62.841 63.200 -0.095 0.000 1.462 110 S HN 0.486 nan 8.310 nan 0.000 0.381 111 H N -0.352 118.732 119.070 0.023 0.000 2.713 111 H HA 0.736 5.292 4.556 -0.000 0.000 0.340 111 H C -0.377 175.037 175.328 0.143 0.000 1.271 111 H CA -1.095 55.005 56.048 0.086 0.000 1.306 111 H CB 0.199 30.021 29.762 0.100 0.000 1.839 111 H HN 0.398 nan 8.280 nan 0.000 0.627 112 Q N -0.018 120.041 119.800 0.431 0.000 2.222 112 Q HA 0.177 4.516 4.340 -0.000 0.000 0.252 112 Q C -0.405 175.825 176.000 0.383 0.000 0.926 112 Q CA -1.109 54.914 55.803 0.368 0.000 0.899 112 Q CB 1.954 30.876 28.738 0.307 0.000 1.250 112 Q HN 0.604 nan 8.270 nan 0.000 0.441 113 K N 2.810 123.444 120.400 0.389 0.000 2.196 113 K HA -0.127 4.193 4.320 -0.000 0.000 0.254 113 K C -0.407 176.338 176.600 0.241 0.000 1.303 113 K CA -0.021 56.483 56.287 0.361 0.000 1.306 113 K CB -0.102 32.517 32.500 0.197 0.000 0.803 113 K HN 0.389 nan 8.250 nan 0.000 0.469 114 I N 4.715 125.401 120.570 0.193 0.000 2.588 114 I HA 0.058 4.228 4.170 -0.000 0.000 0.283 114 I C 0.911 176.960 176.117 -0.113 0.000 1.119 114 I CA 0.301 61.624 61.300 0.039 0.000 1.419 114 I CB 0.717 38.729 38.000 0.020 0.000 1.394 114 I HN 0.555 nan 8.210 nan 0.000 0.562 115 R N 5.560 125.999 120.500 -0.102 0.000 2.604 115 R HA 0.475 4.815 4.340 -0.000 0.000 0.287 115 R C -0.667 175.516 176.300 -0.194 0.000 0.970 115 R CA -0.804 55.229 56.100 -0.110 0.000 0.946 115 R CB 1.566 32.029 30.300 0.273 0.000 1.127 115 R HN 0.516 nan 8.270 nan 0.000 0.473 116 H N 2.726 121.856 119.070 0.100 0.000 2.457 116 H HA 0.305 4.861 4.556 -0.000 0.000 0.335 116 H C -0.545 174.750 175.328 -0.055 0.000 1.115 116 H CA -0.663 55.380 56.048 -0.008 0.000 1.219 116 H CB 1.221 30.959 29.762 -0.041 0.000 1.471 116 H HN 0.479 nan 8.280 nan 0.000 0.491 117 F N 0.587 120.530 119.950 -0.013 0.000 2.540 117 F HA 0.532 5.058 4.527 -0.000 0.000 0.317 117 F C -0.615 175.161 175.800 -0.041 0.000 1.104 117 F CA -0.974 56.967 58.000 -0.098 0.000 0.913 117 F CB 1.239 40.186 39.000 -0.089 0.000 1.170 117 F HN 0.211 nan 8.300 nan 0.000 0.450 118 N N 1.361 120.091 118.700 0.049 0.000 2.457 118 N HA 0.203 4.943 4.740 -0.000 0.000 0.290 118 N C -1.166 174.394 175.510 0.083 0.000 1.232 118 N CA -0.787 52.267 53.050 0.007 0.000 0.852 118 N CB 1.940 40.413 38.487 -0.024 0.000 1.313 118 N HN 0.881 nan 8.380 nan 0.000 0.522 119 E N -0.758 119.475 120.200 0.054 0.000 2.452 119 E HA 0.263 4.613 4.350 -0.000 0.000 0.261 119 E C 0.549 177.159 176.600 0.016 0.000 0.987 119 E CA 0.175 56.606 56.400 0.052 0.000 0.926 119 E CB 0.135 29.858 29.700 0.038 0.000 0.934 119 E HN 0.772 nan 8.360 nan 0.000 0.452 120 G N 2.986 111.776 108.800 -0.016 0.000 2.195 120 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.224 120 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.224 120 G C -0.355 174.522 174.900 -0.038 0.000 0.990 120 G CA 0.038 45.090 45.100 -0.080 0.000 0.639 120 G HN 0.655 nan 8.290 nan 0.000 0.514 121 D N 0.491 120.905 120.400 0.024 0.000 2.210 121 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 121 D C 0.130 176.470 176.300 0.066 0.000 1.062 121 D CA -0.091 53.943 54.000 0.057 0.000 0.891 121 D CB 2.274 43.120 40.800 0.076 0.000 1.186 121 D HN 0.084 nan 8.370 nan 0.000 0.432 122 V N 3.482 123.451 119.914 0.091 0.000 2.370 122 V HA 0.302 4.422 4.120 -0.000 0.000 0.279 122 V C 0.340 176.503 176.094 0.116 0.000 1.029 122 V CA -0.639 61.720 62.300 0.099 0.000 0.870 122 V CB 1.124 33.011 31.823 0.108 0.000 0.984 122 V HN 0.281 nan 8.190 nan 0.000 0.451 123 L N 5.251 126.512 121.223 0.063 0.000 2.322 123 L HA 0.679 5.019 4.340 -0.000 0.000 0.279 123 L C -0.614 176.255 176.870 -0.003 0.000 1.036 123 L CA -0.873 54.000 54.840 0.055 0.000 0.807 123 L CB 2.030 44.058 42.059 -0.052 0.000 1.226 123 L HN 0.330 nan 8.230 nan 0.000 0.433 124 V N 4.165 124.079 119.914 0.001 0.000 2.349 124 V HA 0.321 4.440 4.120 -0.000 0.000 0.284 124 V C -0.036 175.940 176.094 -0.198 0.000 1.014 124 V CA -0.424 61.789 62.300 -0.144 0.000 0.826 124 V CB 1.581 33.323 31.823 -0.134 0.000 1.009 124 V HN 0.428 nan 8.190 nan 0.000 0.431 125 I N 6.749 127.155 120.570 -0.273 0.000 2.291 125 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 125 I C -2.203 173.677 176.117 -0.396 0.000 1.064 125 I CA -2.592 58.545 61.300 -0.272 0.000 1.269 125 I CB 0.945 38.613 38.000 -0.552 0.000 1.418 125 I HN 0.325 nan 8.210 nan 0.000 0.485 126 P HA 0.075 nan 4.420 nan 0.000 0.268 126 P C -2.390 174.808 177.300 -0.170 0.000 1.208 126 P CA -0.726 62.178 63.100 -0.328 0.000 0.777 126 P CB -0.144 31.557 31.700 0.001 0.000 0.875 127 P HA 0.073 nan 4.420 nan 0.000 0.282 127 P C 0.722 178.009 177.300 -0.022 0.000 1.274 127 P CA 0.540 63.592 63.100 -0.081 0.000 0.770 127 P CB 0.552 32.232 31.700 -0.033 0.000 0.867 128 G N 2.368 111.166 108.800 -0.004 0.000 2.258 128 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.233 128 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.233 128 G C -0.033 174.816 174.900 -0.086 0.000 1.006 128 G CA -0.066 45.041 45.100 0.012 0.000 0.620 128 G HN 0.515 nan 8.290 nan 0.000 0.511 129 V N 3.163 123.068 119.914 -0.014 0.000 2.488 129 V HA 0.434 4.554 4.120 -0.000 0.000 0.277 129 V C -1.550 174.563 176.094 0.031 0.000 1.046 129 V CA -1.092 61.188 62.300 -0.034 0.000 0.986 129 V CB 1.300 33.118 31.823 -0.008 0.000 0.989 129 V HN 0.161 nan 8.190 nan 0.000 0.475 130 P HA 0.371 nan 4.420 nan 0.000 0.275 130 P C -1.409 175.967 177.300 0.128 0.000 1.228 130 P CA -0.040 63.130 63.100 0.117 0.000 0.786 130 P CB 0.432 32.154 31.700 0.036 0.000 0.927 131 Y N 0.745 120.966 120.300 -0.133 0.000 2.519 131 Y HA 0.693 5.243 4.550 -0.000 0.000 0.336 131 Y C -1.971 173.811 175.900 -0.196 0.000 1.089 131 Y CA -1.680 56.232 58.100 -0.313 0.000 1.025 131 Y CB 0.950 39.088 38.460 -0.536 0.000 1.318 131 Y HN 0.487 nan 8.280 nan 0.000 0.452 132 W N 2.584 123.666 121.300 -0.364 0.000 2.736 132 W HA 0.754 5.414 4.660 -0.000 0.000 0.335 132 W C -1.741 174.695 176.519 -0.137 0.000 1.059 132 W CA -0.860 56.296 57.345 -0.316 0.000 1.226 132 W CB 1.647 31.017 29.460 -0.150 0.000 1.416 132 W HN 0.935 nan 8.180 nan 0.000 0.505 133 T N 0.506 115.137 114.554 0.130 0.000 2.863 133 T HA 0.576 4.926 4.350 -0.000 0.000 0.285 133 T C -1.788 173.206 174.700 0.490 0.000 1.009 133 T CA -0.557 61.669 62.100 0.209 0.000 0.989 133 T CB 2.569 71.535 68.868 0.165 0.000 1.004 133 T HN 0.521 nan 8.240 nan 0.000 0.455 134 Y N 2.648 123.170 120.300 0.369 0.000 2.406 134 Y HA 0.534 5.084 4.550 -0.000 0.000 0.340 134 Y C -0.567 175.455 175.900 0.203 0.000 0.975 134 Y CA -1.034 57.252 58.100 0.310 0.000 1.056 134 Y CB 1.793 40.477 38.460 0.374 0.000 1.210 134 Y HN 0.825 nan 8.280 nan 0.000 0.448 135 N N 3.124 121.530 118.700 -0.490 0.000 2.402 135 N HA 0.055 4.794 4.740 -0.000 0.000 0.252 135 N C 0.505 175.612 175.510 -0.672 0.000 1.118 135 N CA 0.442 53.230 53.050 -0.436 0.000 0.945 135 N CB 1.002 39.330 38.487 -0.264 0.000 1.147 135 N HN 0.752 nan 8.380 nan 0.000 0.495 136 T N -0.211 114.122 114.554 -0.369 0.000 3.129 136 T HA 0.249 4.599 4.350 -0.000 0.000 0.251 136 T C 0.933 175.549 174.700 -0.140 0.000 1.117 136 T CA -0.119 61.870 62.100 -0.184 0.000 1.034 136 T CB -0.135 68.701 68.868 -0.053 0.000 0.968 136 T HN 0.334 nan 8.240 nan 0.000 0.526 137 G N -0.022 108.679 108.800 -0.165 0.000 2.613 137 G HA2 0.428 4.388 3.960 -0.000 0.000 0.303 137 G HA3 0.428 4.388 3.960 -0.000 0.000 0.303 137 G C -0.095 174.754 174.900 -0.086 0.000 1.312 137 G CA -0.482 44.554 45.100 -0.107 0.000 1.036 137 G HN 0.134 nan 8.290 nan 0.000 0.513 138 D N -0.720 119.646 120.400 -0.056 0.000 2.277 138 D HA 0.019 4.659 4.640 -0.000 0.000 0.209 138 D C 0.835 177.113 176.300 -0.037 0.000 0.970 138 D CA 0.618 54.594 54.000 -0.040 0.000 0.874 138 D CB 0.518 41.302 40.800 -0.026 0.000 0.982 138 D HN 0.683 nan 8.370 nan 0.000 0.504 139 E N 2.315 122.494 120.200 -0.035 0.000 2.283 139 E HA 0.353 4.703 4.350 -0.000 0.000 0.271 139 E C -2.549 174.033 176.600 -0.029 0.000 1.031 139 E CA -2.034 54.352 56.400 -0.024 0.000 0.868 139 E CB 0.951 30.643 29.700 -0.013 0.000 1.094 139 E HN -0.159 nan 8.360 nan 0.000 0.401 140 P HA -0.023 nan 4.420 nan 0.000 0.271 140 P C -0.279 177.024 177.300 0.005 0.000 1.216 140 P CA -0.283 62.809 63.100 -0.014 0.000 0.776 140 P CB 0.868 32.563 31.700 -0.008 0.000 0.881 141 V N 3.539 123.463 119.914 0.016 0.000 2.686 141 V HA 0.247 4.367 4.120 -0.000 0.000 0.295 141 V C 0.573 176.709 176.094 0.069 0.000 1.057 141 V CA -0.252 62.086 62.300 0.064 0.000 1.012 141 V CB 1.548 33.447 31.823 0.128 0.000 1.006 141 V HN 0.309 nan 8.190 nan 0.000 0.477 142 V N 2.979 122.947 119.914 0.090 0.000 2.524 142 V HA 0.830 4.950 4.120 -0.000 0.000 0.297 142 V C -0.097 176.054 176.094 0.094 0.000 1.035 142 V CA -0.309 62.041 62.300 0.084 0.000 0.867 142 V CB 1.484 33.362 31.823 0.092 0.000 1.004 142 V HN 1.086 nan 8.190 nan 0.000 0.426 143 A N 5.130 127.993 122.820 0.071 0.000 2.475 143 A HA 0.967 5.287 4.320 -0.000 0.000 0.301 143 A C -1.400 176.211 177.584 0.045 0.000 1.059 143 A CA -0.509 51.565 52.037 0.061 0.000 0.710 143 A CB 1.560 20.577 19.000 0.028 0.000 1.288 143 A HN 0.659 nan 8.150 nan 0.000 0.408 144 I N 1.494 122.095 120.570 0.052 0.000 2.359 144 I HA 0.342 4.512 4.170 -0.000 0.000 0.284 144 I C 0.596 176.781 176.117 0.114 0.000 1.018 144 I CA 0.066 61.386 61.300 0.034 0.000 1.173 144 I CB 1.653 39.547 38.000 -0.176 0.000 1.326 144 I HN 0.469 nan 8.210 nan 0.000 0.462 145 S N 6.654 122.384 115.700 0.050 0.000 2.489 145 S HA 0.423 4.893 4.470 -0.000 0.000 0.277 145 S C -0.391 174.119 174.600 -0.151 0.000 1.230 145 S CA -0.597 57.575 58.200 -0.046 0.000 1.053 145 S CB 0.421 63.627 63.200 0.010 0.000 0.955 145 S HN 0.522 nan 8.310 nan 0.000 0.488 146 L N 7.560 128.494 121.223 -0.482 0.000 2.268 146 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 146 L C -0.970 175.714 176.870 -0.309 0.000 1.064 146 L CA -0.330 54.156 54.840 -0.591 0.000 0.824 146 L CB 0.218 41.441 42.059 -1.393 0.000 1.202 146 L HN 0.713 nan 8.230 nan 0.000 0.433 147 L N 5.280 126.414 121.223 -0.148 0.000 2.433 147 L HA 0.119 4.459 4.340 -0.000 0.000 0.284 147 L C 0.473 177.179 176.870 -0.272 0.000 1.120 147 L CA -0.192 54.586 54.840 -0.103 0.000 0.879 147 L CB 0.197 42.231 42.059 -0.041 0.000 1.232 147 L HN 0.532 nan 8.230 nan 0.000 0.454 148 D N 2.254 122.521 120.400 -0.221 0.000 2.801 148 D HA -0.018 4.621 4.640 -0.000 0.000 0.232 148 D C 1.610 177.701 176.300 -0.350 0.000 1.128 148 D CA -0.098 53.765 54.000 -0.228 0.000 1.003 148 D CB 0.517 41.235 40.800 -0.135 0.000 1.110 148 D HN 0.620 nan 8.370 nan 0.000 0.477 149 T N -2.180 112.003 114.554 -0.618 0.000 2.881 149 T HA -0.192 4.158 4.350 -0.000 0.000 0.270 149 T C 1.600 176.139 174.700 -0.267 0.000 1.068 149 T CA 1.178 62.848 62.100 -0.717 0.000 1.131 149 T CB -0.309 68.156 68.868 -0.671 0.000 0.871 149 T HN 0.202 nan 8.240 nan 0.000 0.479 150 S N 0.857 116.449 115.700 -0.180 0.000 2.710 150 S HA 0.160 4.630 4.470 -0.000 0.000 0.224 150 S C 0.560 175.130 174.600 -0.049 0.000 0.948 150 S CA -0.805 57.349 58.200 -0.077 0.000 0.949 150 S CB -0.723 62.446 63.200 -0.052 0.000 0.778 150 S HN 0.496 nan 8.310 nan 0.000 0.498 151 N N 1.745 120.391 118.700 -0.090 0.000 2.503 151 N HA 0.112 4.852 4.740 -0.000 0.000 0.267 151 N C 0.532 175.987 175.510 -0.092 0.000 1.214 151 N CA -0.421 52.535 53.050 -0.158 0.000 0.959 151 N CB 0.451 38.800 38.487 -0.229 0.000 1.142 151 N HN 0.354 nan 8.380 nan 0.000 0.455 152 F N 1.063 121.038 119.950 0.040 0.000 2.805 152 F HA 0.286 4.813 4.527 -0.000 0.000 0.301 152 F C 1.055 176.882 175.800 0.046 0.000 1.196 152 F CA -0.244 57.777 58.000 0.035 0.000 1.439 152 F CB -0.439 38.573 39.000 0.020 0.000 1.117 152 F HN 0.309 nan 8.300 nan 0.000 0.581 153 N N 0.329 119.000 118.700 -0.048 0.000 2.432 153 N HA -0.076 4.664 4.740 -0.000 0.000 0.174 153 N C 0.107 175.666 175.510 0.082 0.000 1.037 153 N CA 0.271 53.349 53.050 0.047 0.000 0.892 153 N CB -0.291 38.174 38.487 -0.037 0.000 1.049 153 N HN 0.259 nan 8.380 nan 0.000 0.442 154 N N 2.460 121.209 118.700 0.082 0.000 2.416 154 N HA -0.001 4.739 4.740 -0.000 0.000 0.265 154 N C 0.230 175.801 175.510 0.102 0.000 1.195 154 N CA 0.383 53.505 53.050 0.120 0.000 0.943 154 N CB 0.668 39.251 38.487 0.161 0.000 1.115 154 N HN 0.192 nan 8.380 nan 0.000 0.481 155 Q N 3.043 122.899 119.800 0.093 0.000 2.319 155 Q HA 0.159 4.499 4.340 -0.000 0.000 0.202 155 Q C 1.025 177.070 176.000 0.075 0.000 0.896 155 Q CA -0.029 55.823 55.803 0.081 0.000 0.942 155 Q CB 0.785 29.565 28.738 0.070 0.000 1.083 155 Q HN 0.642 nan 8.270 nan 0.000 0.510 156 L N 0.480 121.757 121.223 0.090 0.000 2.040 156 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 156 L C 0.769 177.682 176.870 0.072 0.000 1.186 156 L CA 0.818 55.711 54.840 0.088 0.000 1.017 156 L CB -0.093 42.038 42.059 0.120 0.000 1.011 156 L HN 0.240 nan 8.230 nan 0.000 0.561 157 D N -3.332 117.113 120.400 0.076 0.000 3.236 157 D HA 0.056 4.696 4.640 -0.000 0.000 0.325 157 D C 0.349 176.670 176.300 0.035 0.000 1.352 157 D CA -0.534 53.497 54.000 0.051 0.000 0.979 157 D CB 0.791 41.615 40.800 0.041 0.000 1.410 157 D HN -0.029 nan 8.370 nan 0.000 0.588 158 Q N -0.304 119.508 119.800 0.020 0.000 2.137 158 Q HA 0.152 4.492 4.340 -0.000 0.000 0.198 158 Q C -0.376 175.596 176.000 -0.047 0.000 0.960 158 Q CA 0.999 56.795 55.803 -0.012 0.000 0.847 158 Q CB -0.410 28.340 28.738 0.021 0.000 0.915 158 Q HN 0.432 nan 8.270 nan 0.000 0.448 159 N N 2.515 121.206 118.700 -0.015 0.000 2.454 159 N HA 0.094 4.834 4.740 -0.000 0.000 0.254 159 N C -2.612 172.880 175.510 -0.030 0.000 1.228 159 N CA -0.767 52.267 53.050 -0.028 0.000 0.900 159 N CB 0.385 38.868 38.487 -0.007 0.000 1.089 159 N HN 0.218 nan 8.380 nan 0.000 0.449 160 P HA 0.170 nan 4.420 nan 0.000 0.276 160 P C -0.975 176.307 177.300 -0.030 0.000 1.230 160 P CA -0.001 63.065 63.100 -0.057 0.000 0.776 160 P CB 0.855 32.295 31.700 -0.434 0.000 0.888 161 R N 1.705 122.284 120.500 0.133 0.000 2.575 161 R HA 0.615 4.955 4.340 -0.000 0.000 0.293 161 R C -1.055 175.204 176.300 -0.068 0.000 0.983 161 R CA -1.006 55.081 56.100 -0.023 0.000 0.887 161 R CB 2.313 32.641 30.300 0.046 0.000 1.184 161 R HN 0.228 nan 8.270 nan 0.000 0.445 162 V N 3.861 123.682 119.914 -0.154 0.000 2.531 162 V HA 0.465 4.584 4.120 -0.000 0.000 0.301 162 V C -1.079 174.840 176.094 -0.291 0.000 1.034 162 V CA -0.764 61.449 62.300 -0.144 0.000 0.865 162 V CB 1.491 33.290 31.823 -0.041 0.000 0.995 162 V HN 0.542 nan 8.190 nan 0.000 0.424 163 F N 4.300 123.900 119.950 -0.584 0.000 2.332 163 F HA 0.558 5.085 4.527 -0.000 0.000 0.368 163 F C -0.098 175.449 175.800 -0.423 0.000 1.110 163 F CA -0.962 56.700 58.000 -0.564 0.000 1.087 163 F CB 0.581 38.907 39.000 -1.123 0.000 1.235 163 F HN 0.358 nan 8.300 nan 0.000 0.470 164 Y N 2.987 123.276 120.300 -0.019 0.000 2.299 164 Y HA 0.282 4.832 4.550 -0.000 0.000 0.326 164 Y C 1.147 177.097 175.900 0.083 0.000 1.164 164 Y CA -0.335 57.775 58.100 0.018 0.000 1.234 164 Y CB 1.189 39.639 38.460 -0.017 0.000 1.219 164 Y HN 0.497 nan 8.280 nan 0.000 0.497 165 L N 2.333 123.698 121.223 0.237 0.000 2.529 165 L HA 0.349 4.689 4.340 -0.000 0.000 0.223 165 L C 0.523 177.472 176.870 0.132 0.000 1.113 165 L CA 0.238 55.191 54.840 0.188 0.000 0.861 165 L CB -0.079 42.073 42.059 0.155 0.000 1.012 165 L HN 0.657 nan 8.230 nan 0.000 0.461 166 A N -0.868 122.038 122.820 0.143 0.000 2.594 166 A HA 0.683 5.003 4.320 -0.000 0.000 0.295 166 A C -0.143 177.463 177.584 0.038 0.000 1.071 166 A CA 0.028 52.108 52.037 0.070 0.000 0.685 166 A CB 1.084 20.107 19.000 0.039 0.000 1.285 166 A HN 0.192 nan 8.150 nan 0.000 0.405 167 G N 0.308 109.105 108.800 -0.006 0.000 2.756 167 G HA2 0.128 4.087 3.960 -0.000 0.000 0.678 167 G HA3 0.128 4.087 3.960 -0.000 0.000 0.678 167 G C -0.524 174.332 174.900 -0.072 0.000 1.349 167 G CA 0.000 45.071 45.100 -0.048 0.000 0.847 167 G HN 1.915 nan 8.290 nan 0.000 0.548 168 N N 1.611 120.259 118.700 -0.087 0.000 2.976 168 N HA 0.523 5.263 4.740 -0.000 0.000 0.255 168 N C -1.553 173.883 175.510 -0.124 0.000 1.312 168 N CA -1.237 51.761 53.050 -0.087 0.000 0.897 168 N CB 1.384 39.836 38.487 -0.058 0.000 1.184 168 N HN 0.536 nan 8.380 nan 0.000 0.497 169 P HA 0.219 nan 4.420 nan 0.000 0.274 169 P C -0.887 176.333 177.300 -0.133 0.000 1.256 169 P CA -0.145 62.807 63.100 -0.245 0.000 0.795 169 P CB 1.132 32.514 31.700 -0.530 0.000 1.038 170 D N 0.181 120.525 120.400 -0.093 0.000 2.181 170 D HA 0.290 4.929 4.640 -0.000 0.000 0.248 170 D C 0.222 176.527 176.300 0.008 0.000 1.020 170 D CA -0.464 53.521 54.000 -0.025 0.000 0.891 170 D CB 0.576 41.386 40.800 0.016 0.000 1.187 170 D HN 0.149 nan 8.370 nan 0.000 0.443 171 I N 2.878 123.448 120.570 0.001 0.000 2.671 171 I HA -0.088 4.082 4.170 -0.000 0.000 0.285 171 I C 1.661 177.783 176.117 0.008 0.000 1.148 171 I CA 0.640 61.939 61.300 -0.002 0.000 1.386 171 I CB -0.399 37.567 38.000 -0.058 0.000 1.406 171 I HN 0.420 nan 8.210 nan 0.000 0.540 172 E N 4.964 125.220 120.200 0.093 0.000 2.047 172 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 172 E C -0.127 176.370 176.600 -0.170 0.000 0.987 172 E CA 1.355 57.777 56.400 0.037 0.000 0.799 172 E CB -0.015 29.703 29.700 0.030 0.000 0.752 172 E HN 0.650 nan 8.360 nan 0.000 0.449 173 H N 0.448 119.523 119.070 0.009 0.000 2.486 173 H HA 0.122 4.678 4.556 -0.000 0.000 0.239 173 H C -1.881 173.386 175.328 -0.102 0.000 1.480 173 H CA -2.206 53.827 56.048 -0.025 0.000 1.324 173 H CB 0.454 30.234 29.762 0.030 0.000 1.486 173 H HN 0.091 nan 8.280 nan 0.000 0.544 174 P HA -0.197 nan 4.420 nan 0.000 0.229 174 P C 0.957 178.209 177.300 -0.080 0.000 1.150 174 P CA 0.922 63.921 63.100 -0.168 0.000 0.765 174 P CB 0.595 32.092 31.700 -0.338 0.000 0.783 175 E N 0.616 120.797 120.200 -0.032 0.000 2.112 175 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 175 E C 1.611 178.208 176.600 -0.005 0.000 0.979 175 E CA 1.825 58.215 56.400 -0.016 0.000 0.814 175 E CB -1.753 27.948 29.700 0.002 0.000 0.762 175 E HN 0.281 nan 8.360 nan 0.000 0.460 176 T N -1.179 113.382 114.554 0.013 0.000 3.007 176 T HA -0.020 4.329 4.350 -0.000 0.000 0.270 176 T C 1.772 176.462 174.700 -0.016 0.000 1.107 176 T CA 0.772 62.872 62.100 0.000 0.000 1.118 176 T CB -0.075 68.792 68.868 -0.002 0.000 0.889 176 T HN -0.014 nan 8.240 nan 0.000 0.506 177 M N 0.579 120.164 119.600 -0.024 0.000 2.486 177 M HA 0.278 4.758 4.480 -0.000 0.000 0.264 177 M C 1.330 177.612 176.300 -0.029 0.000 1.125 177 M CA 0.465 55.744 55.300 -0.034 0.000 1.144 177 M CB -0.681 31.892 32.600 -0.046 0.000 1.353 177 M HN 0.432 nan 8.290 nan 0.000 0.466 200 E N 2.325 122.501 120.200 -0.040 0.000 2.449 200 E HA 0.939 5.289 4.350 -0.000 0.000 0.254 200 E C 0.256 176.826 176.600 -0.048 0.000 0.907 200 E CA -0.885 55.491 56.400 -0.041 0.000 0.840 200 E CB 1.934 31.611 29.700 -0.040 0.000 1.459 200 E HN 0.397 nan 8.360 nan 0.000 0.407 201 G N -1.542 107.226 108.800 -0.052 0.000 2.562 201 G HA2 0.570 4.530 3.960 -0.000 0.000 0.190 201 G HA3 0.570 4.530 3.960 -0.000 0.000 0.190 201 G C -0.374 174.490 174.900 -0.060 0.000 1.196 201 G CA -0.079 44.984 45.100 -0.060 0.000 0.986 201 G HN 1.252 nan 8.290 nan 0.000 0.512 202 G N -1.283 107.481 108.800 -0.061 0.000 2.465 202 G HA2 0.509 4.469 3.960 -0.000 0.000 0.681 202 G HA3 0.509 4.469 3.960 -0.000 0.000 0.681 202 G C -0.047 174.842 174.900 -0.018 0.000 1.340 202 G CA 0.560 45.632 45.100 -0.046 0.000 0.884 202 G HN 2.066 nan 8.290 nan 0.000 0.650 203 S N -0.594 115.114 115.700 0.013 0.000 2.608 203 S HA 0.514 4.984 4.470 -0.000 0.000 0.261 203 S C 2.095 176.725 174.600 0.052 0.000 1.314 203 S CA 0.524 58.771 58.200 0.078 0.000 0.992 203 S CB 1.338 64.595 63.200 0.095 0.000 0.935 203 S HN 2.168 nan 8.310 nan 0.000 0.564 204 V N -0.362 119.617 119.914 0.108 0.000 2.469 204 V HA -0.147 3.973 4.120 -0.000 0.000 0.251 204 V C 2.007 178.110 176.094 0.014 0.000 1.064 204 V CA 1.688 64.041 62.300 0.088 0.000 1.066 204 V CB -1.410 30.562 31.823 0.248 0.000 0.667 204 V HN 0.808 nan 8.190 nan 0.000 0.461 205 L N 1.874 123.161 121.223 0.107 0.000 2.291 205 L HA -0.065 4.275 4.340 -0.000 0.000 0.214 205 L C 2.879 179.790 176.870 0.068 0.000 1.120 205 L CA 1.424 56.360 54.840 0.161 0.000 0.799 205 L CB -0.673 41.471 42.059 0.141 0.000 0.925 205 L HN 0.626 nan 8.230 nan 0.000 0.446 206 S N -0.282 115.423 115.700 0.008 0.000 2.500 206 S HA -0.108 4.362 4.470 -0.000 0.000 0.239 206 S C 1.883 176.453 174.600 -0.050 0.000 0.989 206 S CA 0.951 59.145 58.200 -0.010 0.000 0.951 206 S CB -0.551 62.636 63.200 -0.023 0.000 0.759 206 S HN 0.454 nan 8.310 nan 0.000 0.523 207 G N 0.016 108.726 108.800 -0.149 0.000 2.539 207 G HA2 0.235 4.195 3.960 -0.000 0.000 0.215 207 G HA3 0.235 4.195 3.960 -0.000 0.000 0.215 207 G C 0.098 174.874 174.900 -0.205 0.000 1.141 207 G CA -0.296 44.658 45.100 -0.242 0.000 0.806 207 G HN 0.464 nan 8.290 nan 0.000 0.533 208 F N 2.273 122.229 119.950 0.010 0.000 2.427 208 F HA 0.403 4.930 4.527 -0.000 0.000 0.352 208 F C 1.155 176.988 175.800 0.056 0.000 1.100 208 F CA -1.614 56.395 58.000 0.016 0.000 1.191 208 F CB 1.260 40.283 39.000 0.038 0.000 1.128 208 F HN -0.026 nan 8.300 nan 0.000 0.533 209 S N 2.595 118.471 115.700 0.293 0.000 2.576 209 S HA 0.163 4.633 4.470 -0.000 0.000 0.276 209 S C 1.109 175.873 174.600 0.272 0.000 1.339 209 S CA -0.737 57.597 58.200 0.222 0.000 1.039 209 S CB 0.878 64.180 63.200 0.169 0.000 0.902 209 S HN 0.773 nan 8.310 nan 0.000 0.516 210 K N 1.026 121.569 120.400 0.239 0.000 2.218 210 K HA -0.259 4.061 4.320 -0.000 0.000 0.205 210 K C 1.148 177.889 176.600 0.236 0.000 1.046 210 K CA 1.898 58.309 56.287 0.207 0.000 0.933 210 K CB -0.623 31.971 32.500 0.157 0.000 0.728 210 K HN 0.717 nan 8.250 nan 0.000 0.454 211 H N 0.331 119.475 119.070 0.123 0.000 2.253 211 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 211 H C 1.747 177.154 175.328 0.133 0.000 1.064 211 H CA 1.934 58.045 56.048 0.106 0.000 1.264 211 H CB -0.720 29.103 29.762 0.102 0.000 1.371 211 H HN 0.203 nan 8.280 nan 0.000 0.493 212 F N 0.349 120.417 119.950 0.197 0.000 2.161 212 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 212 F C 2.249 178.086 175.800 0.061 0.000 1.089 212 F CA 0.775 58.833 58.000 0.096 0.000 1.282 212 F CB -0.483 38.564 39.000 0.079 0.000 1.010 212 F HN 0.123 nan 8.300 nan 0.000 0.485 213 L N 0.497 121.951 121.223 0.385 0.000 2.005 213 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 213 L C 2.519 179.547 176.870 0.264 0.000 1.072 213 L CA 2.157 57.179 54.840 0.304 0.000 0.744 213 L CB -1.489 40.689 42.059 0.198 0.000 0.895 213 L HN 0.089 nan 8.230 nan 0.000 0.433 214 A N -1.249 121.664 122.820 0.153 0.000 1.978 214 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 214 A C 2.164 179.796 177.584 0.080 0.000 1.170 214 A CA 2.018 54.108 52.037 0.089 0.000 0.636 214 A CB -0.533 18.476 19.000 0.015 0.000 0.810 214 A HN 0.709 nan 8.150 nan 0.000 0.448 215 Q N -0.822 119.006 119.800 0.048 0.000 2.062 215 Q HA -0.058 4.282 4.340 -0.000 0.000 0.196 215 Q C 2.460 178.441 176.000 -0.031 0.000 0.967 215 Q CA 1.410 57.190 55.803 -0.039 0.000 0.832 215 Q CB -0.159 28.485 28.738 -0.157 0.000 0.899 215 Q HN 0.633 nan 8.270 nan 0.000 0.442 216 S N 0.724 116.443 115.700 0.032 0.000 2.370 216 S HA -0.107 4.363 4.470 -0.000 0.000 0.226 216 S C 1.052 175.556 174.600 -0.160 0.000 1.033 216 S CA 1.227 59.404 58.200 -0.039 0.000 1.011 216 S CB -0.136 63.110 63.200 0.078 0.000 0.852 216 S HN 0.262 nan 8.310 nan 0.000 0.457 217 F N 2.509 122.451 119.950 -0.013 0.000 2.668 217 F HA 0.284 4.811 4.527 -0.000 0.000 0.297 217 F C 0.689 176.478 175.800 -0.018 0.000 1.124 217 F CA -0.820 57.174 58.000 -0.011 0.000 1.353 217 F CB -0.878 38.123 39.000 0.002 0.000 0.992 217 F HN 0.195 nan 8.300 nan 0.000 0.524 218 N N 0.661 119.416 118.700 0.092 0.000 2.678 218 N HA -0.264 4.476 4.740 -0.000 0.000 0.268 218 N C -0.351 175.192 175.510 0.054 0.000 1.010 218 N CA 1.054 54.128 53.050 0.040 0.000 0.784 218 N CB -1.467 37.024 38.487 0.006 0.000 0.905 218 N HN 0.380 nan 8.380 nan 0.000 0.552 219 T N -0.378 114.212 114.554 0.060 0.000 2.864 219 T HA 0.469 4.819 4.350 -0.000 0.000 0.299 219 T C 0.195 174.901 174.700 0.010 0.000 1.166 219 T CA -0.207 61.915 62.100 0.037 0.000 1.007 219 T CB 1.024 69.920 68.868 0.048 0.000 1.219 219 T HN 0.580 nan 8.240 nan 0.000 0.506 220 N N 1.935 120.633 118.700 -0.004 0.000 2.204 220 N HA 0.051 4.791 4.740 -0.000 0.000 0.232 220 N C 0.493 175.989 175.510 -0.024 0.000 1.340 220 N CA -0.055 52.984 53.050 -0.020 0.000 0.883 220 N CB 0.230 38.706 38.487 -0.018 0.000 1.109 220 N HN 0.509 nan 8.380 nan 0.000 0.470 221 E N -1.762 118.416 120.200 -0.037 0.000 2.465 221 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 221 E C -0.040 176.553 176.600 -0.011 0.000 1.053 221 E CA 0.272 56.650 56.400 -0.036 0.000 0.869 221 E CB -0.185 29.474 29.700 -0.069 0.000 0.977 221 E HN 0.727 nan 8.360 nan 0.000 0.483 222 D N 0.307 120.699 120.400 -0.012 0.000 2.527 222 D HA -0.039 4.601 4.640 -0.000 0.000 0.249 222 D C 1.629 177.922 176.300 -0.012 0.000 1.029 222 D CA 1.361 55.356 54.000 -0.009 0.000 0.951 222 D CB 0.144 40.937 40.800 -0.011 0.000 1.093 222 D HN -0.116 nan 8.370 nan 0.000 0.464 223 T N 0.228 114.772 114.554 -0.017 0.000 2.580 223 T HA -0.189 4.161 4.350 -0.000 0.000 0.265 223 T C 1.995 176.673 174.700 -0.037 0.000 1.063 223 T CA 2.101 64.186 62.100 -0.027 0.000 1.170 223 T CB -0.858 67.995 68.868 -0.026 0.000 0.863 223 T HN 0.279 nan 8.240 nan 0.000 0.418 224 A N 1.382 124.182 122.820 -0.034 0.000 1.986 224 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 224 A C 2.296 179.872 177.584 -0.013 0.000 1.171 224 A CA 1.723 53.735 52.037 -0.043 0.000 0.640 224 A CB -0.547 18.451 19.000 -0.003 0.000 0.811 224 A HN 0.424 nan 8.150 nan 0.000 0.451 225 E N 0.165 120.367 120.200 0.004 0.000 2.072 225 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 225 E C 1.563 178.167 176.600 0.006 0.000 0.985 225 E CA 1.034 57.446 56.400 0.020 0.000 0.801 225 E CB -0.119 29.593 29.700 0.021 0.000 0.750 225 E HN 0.421 nan 8.360 nan 0.000 0.452 226 K N 0.432 120.826 120.400 -0.010 0.000 2.288 226 K HA 0.006 4.325 4.320 -0.000 0.000 0.201 226 K C 2.212 178.797 176.600 -0.024 0.000 1.048 226 K CA 0.204 56.481 56.287 -0.016 0.000 0.956 226 K CB -0.239 32.248 32.500 -0.022 0.000 0.746 226 K HN 0.248 nan 8.250 nan 0.000 0.461 227 L N 0.401 121.601 121.223 -0.039 0.000 2.450 227 L HA -0.096 4.244 4.340 -0.000 0.000 0.224 227 L C 1.966 178.824 176.870 -0.021 0.000 1.149 227 L CA 0.875 55.680 54.840 -0.058 0.000 0.816 227 L CB -0.216 41.765 42.059 -0.129 0.000 0.932 227 L HN 0.092 nan 8.230 nan 0.000 0.449 228 R N -0.872 119.629 120.500 0.001 0.000 2.300 228 R HA 0.106 4.446 4.340 -0.000 0.000 0.199 228 R C 0.728 177.031 176.300 0.005 0.000 0.920 228 R CA 0.120 56.232 56.100 0.019 0.000 1.046 228 R CB 0.247 30.567 30.300 0.034 0.000 0.984 228 R HN 0.107 nan 8.270 nan 0.000 0.493 229 S N 1.165 116.862 115.700 -0.004 0.000 3.559 229 S HA -0.075 4.395 4.470 -0.000 0.000 0.369 229 S C -1.728 172.865 174.600 -0.012 0.000 0.987 229 S CA 0.568 58.762 58.200 -0.011 0.000 1.187 229 S CB -0.454 62.738 63.200 -0.013 0.000 0.914 229 S HN 0.409 nan 8.310 nan 0.000 0.480 230 P HA 0.080 nan 4.420 nan 0.000 0.258 230 P C 0.118 177.412 177.300 -0.011 0.000 1.319 230 P CA 0.444 63.540 63.100 -0.007 0.000 0.785 230 P CB 0.240 31.941 31.700 0.001 0.000 1.252 231 D N -0.446 119.946 120.400 -0.014 0.000 3.094 231 D HA 0.007 4.647 4.640 -0.000 0.000 0.267 231 D C 0.032 176.320 176.300 -0.020 0.000 1.542 231 D CA 0.199 54.190 54.000 -0.015 0.000 1.157 231 D CB -1.247 39.545 40.800 -0.014 0.000 1.098 231 D HN -0.080 nan 8.370 nan 0.000 0.340 232 D N 1.717 122.103 120.400 -0.022 0.000 6.956 232 D HA -0.124 4.516 4.640 -0.000 0.000 0.144 232 D C 0.284 176.564 176.300 -0.034 0.000 1.168 232 D CA 0.749 54.732 54.000 -0.028 0.000 0.780 232 D CB 0.153 40.934 40.800 -0.033 0.000 1.512 232 D HN 0.247 nan 8.370 nan 0.000 0.872 233 E N 1.177 121.359 120.200 -0.030 0.000 2.489 233 E HA 0.073 4.423 4.350 -0.000 0.000 0.204 233 E C 1.501 178.080 176.600 -0.035 0.000 1.006 233 E CA -0.112 56.269 56.400 -0.032 0.000 0.936 233 E CB 0.317 30.003 29.700 -0.025 0.000 1.002 233 E HN 0.324 nan 8.360 nan 0.000 0.488 234 R N 1.218 121.698 120.500 -0.032 0.000 2.189 234 R HA -0.011 4.329 4.340 -0.000 0.000 0.223 234 R C 0.116 176.389 176.300 -0.044 0.000 1.092 234 R CA 0.565 56.648 56.100 -0.029 0.000 0.989 234 R CB -0.316 29.974 30.300 -0.017 0.000 0.876 234 R HN -0.111 nan 8.270 nan 0.000 0.457 235 K N -0.453 119.906 120.400 -0.067 0.000 1.129 235 K HA -0.227 4.093 4.320 -0.000 0.000 0.768 235 K C 1.224 177.743 176.600 -0.136 0.000 1.987 235 K CA 1.324 57.544 56.287 -0.111 0.000 1.235 235 K CB -1.125 31.319 32.500 -0.095 0.000 2.286 235 K HN 0.239 nan 8.250 nan 0.000 0.408 236 Q N 0.721 120.381 119.800 -0.233 0.000 2.133 236 Q HA -0.123 4.217 4.340 -0.000 0.000 0.208 236 Q C 1.039 177.102 176.000 0.105 0.000 0.991 236 Q CA 1.882 57.545 55.803 -0.234 0.000 0.867 236 Q CB -0.289 28.280 28.738 -0.282 0.000 0.911 236 Q HN 0.603 nan 8.270 nan 0.000 0.417 237 I N 2.466 123.071 120.570 0.059 0.000 2.354 237 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 237 I C -0.337 175.807 176.117 0.046 0.000 0.989 237 I CA -1.167 60.182 61.300 0.082 0.000 1.188 237 I CB 1.936 39.926 38.000 -0.016 0.000 1.342 237 I HN -0.049 nan 8.210 nan 0.000 0.457 238 V N 1.698 121.658 119.914 0.076 0.000 2.680 238 V HA 0.544 4.664 4.120 -0.000 0.000 0.309 238 V C 0.040 176.179 176.094 0.075 0.000 1.052 238 V CA -0.450 61.883 62.300 0.054 0.000 0.908 238 V CB 1.558 33.407 31.823 0.043 0.000 1.001 238 V HN 0.661 nan 8.190 nan 0.000 0.431 239 T N 3.869 118.454 114.554 0.052 0.000 2.761 239 T HA 0.358 4.708 4.350 -0.000 0.000 0.296 239 T C 0.259 175.006 174.700 0.079 0.000 0.934 239 T CA -0.021 62.117 62.100 0.064 0.000 1.091 239 T CB 0.974 69.862 68.868 0.035 0.000 0.896 239 T HN 0.708 nan 8.240 nan 0.000 0.515 240 V N 5.012 125.008 119.914 0.136 0.000 2.112 240 V HA 0.119 4.239 4.120 -0.000 0.000 0.271 240 V C 0.752 176.910 176.094 0.106 0.000 1.465 240 V CA -0.517 61.855 62.300 0.120 0.000 1.419 240 V CB -0.803 31.119 31.823 0.164 0.000 1.409 240 V HN 0.869 nan 8.190 nan 0.000 0.495 241 E N 2.635 122.873 120.200 0.063 0.000 2.614 241 E HA 0.260 4.610 4.350 -0.000 0.000 0.245 241 E C 1.333 177.958 176.600 0.042 0.000 1.039 241 E CA 0.952 57.381 56.400 0.048 0.000 0.948 241 E CB 0.195 29.911 29.700 0.027 0.000 0.937 241 E HN 0.805 nan 8.360 nan 0.000 0.498 242 G N 2.449 111.282 108.800 0.054 0.000 2.436 242 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.204 242 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.204 242 G C 0.564 175.500 174.900 0.061 0.000 1.026 242 G CA -0.328 44.797 45.100 0.041 0.000 0.658 242 G HN 1.242 nan 8.290 nan 0.000 0.499 243 G N -0.903 107.950 108.800 0.089 0.000 2.756 243 G HA2 0.265 4.225 3.960 -0.000 0.000 0.678 243 G HA3 0.265 4.225 3.960 -0.000 0.000 0.678 243 G C -0.703 174.156 174.900 -0.067 0.000 1.349 243 G CA -0.143 45.028 45.100 0.119 0.000 0.847 243 G HN 1.311 nan 8.290 nan 0.000 0.548 244 L N 1.139 122.227 121.223 -0.225 0.000 2.265 244 L HA 0.516 4.856 4.340 -0.000 0.000 0.289 244 L C 1.707 178.515 176.870 -0.103 0.000 1.033 244 L CA 0.517 55.207 54.840 -0.250 0.000 0.814 244 L CB 1.294 43.077 42.059 -0.460 0.000 1.203 244 L HN 0.637 nan 8.230 nan 0.000 0.423 245 S N 1.479 117.141 115.700 -0.064 0.000 2.383 245 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 245 S C 2.024 176.623 174.600 -0.002 0.000 1.030 245 S CA 1.277 59.465 58.200 -0.020 0.000 1.002 245 S CB -0.143 63.045 63.200 -0.020 0.000 0.829 245 S HN 0.512 nan 8.310 nan 0.000 0.467 246 V N 1.498 121.405 119.914 -0.012 0.000 2.250 246 V HA -0.260 3.860 4.120 -0.000 0.000 0.253 246 V C 2.038 178.171 176.094 0.064 0.000 1.065 246 V CA 1.984 64.306 62.300 0.036 0.000 1.039 246 V CB -0.691 31.150 31.823 0.030 0.000 0.647 246 V HN 0.368 nan 8.190 nan 0.000 0.446 247 I N -0.799 119.808 120.570 0.062 0.000 2.364 247 I HA -0.002 4.168 4.170 -0.000 0.000 0.241 247 I C 1.745 177.910 176.117 0.079 0.000 1.082 247 I CA 1.095 62.464 61.300 0.116 0.000 1.401 247 I CB -0.480 37.630 38.000 0.185 0.000 1.126 247 I HN 0.231 nan 8.210 nan 0.000 0.429 326 I N 1.638 122.055 120.570 -0.254 0.000 2.367 326 I HA -0.288 3.882 4.170 -0.000 0.000 0.256 326 I C 0.808 176.525 176.117 -0.665 0.000 1.132 326 I CA 1.710 62.761 61.300 -0.414 0.000 1.397 326 I CB -0.553 37.245 38.000 -0.337 0.000 1.074 326 I HN 0.375 nan 8.210 nan 0.000 0.435 327 c N -0.824 117.533 118.600 -0.405 0.000 2.524 327 c HA 0.017 4.587 4.570 -0.000 0.000 0.284 327 c C 2.698 176.671 174.090 -0.194 0.000 1.346 327 c CA 0.920 57.066 56.329 -0.304 0.000 1.739 327 c CB -0.902 41.555 42.510 -0.089 0.000 2.119 327 c HN 0.573 nan 8.230 nan 0.000 0.501 328 T N 1.816 116.272 114.554 -0.163 0.000 3.051 328 T HA 0.131 4.481 4.350 -0.000 0.000 0.255 328 T C 0.827 175.440 174.700 -0.145 0.000 1.085 328 T CA -0.109 61.922 62.100 -0.115 0.000 1.109 328 T CB -0.428 68.391 68.868 -0.083 0.000 0.921 328 T HN 0.604 nan 8.240 nan 0.000 0.488 329 M N 2.311 121.796 119.600 -0.192 0.000 2.504 329 M HA 0.144 4.624 4.480 -0.000 0.000 0.378 329 M C 0.068 176.259 176.300 -0.181 0.000 1.706 329 M CA 0.233 55.426 55.300 -0.179 0.000 1.036 329 M CB -0.370 32.110 32.600 -0.201 0.000 2.129 329 M HN -0.089 nan 8.290 nan 0.000 0.474 330 K N 4.179 124.484 120.400 -0.159 0.000 2.430 330 K HA 0.029 4.349 4.320 -0.000 0.000 0.280 330 K C 0.021 176.501 176.600 -0.200 0.000 1.063 330 K CA 0.060 56.220 56.287 -0.212 0.000 1.071 330 K CB 0.387 32.795 32.500 -0.153 0.000 0.899 330 K HN 0.942 nan 8.250 nan 0.000 0.473 331 L N 3.378 124.438 121.223 -0.273 0.000 2.316 331 L HA 0.033 4.373 4.340 -0.000 0.000 0.207 331 L C 0.882 177.723 176.870 -0.050 0.000 1.070 331 L CA 0.028 54.789 54.840 -0.132 0.000 0.820 331 L CB -0.394 41.581 42.059 -0.141 0.000 0.992 331 L HN 0.735 nan 8.230 nan 0.000 0.466 332 H N -1.004 118.108 119.070 0.070 0.000 2.523 332 H HA 0.745 5.301 4.556 -0.000 0.000 0.345 332 H C -0.643 174.724 175.328 0.066 0.000 1.261 332 H CA -0.968 55.126 56.048 0.077 0.000 1.343 332 H CB 1.191 31.016 29.762 0.106 0.000 1.650 332 H HN -0.099 nan 8.280 nan 0.000 0.591 333 E N -0.443 119.939 120.200 0.304 0.000 2.398 333 E HA 0.228 4.578 4.350 -0.000 0.000 0.280 333 E C -1.871 174.808 176.600 0.131 0.000 1.122 333 E CA -0.741 55.779 56.400 0.201 0.000 0.873 333 E CB 1.247 31.019 29.700 0.119 0.000 1.294 333 E HN 0.770 nan 8.360 nan 0.000 0.435 334 N N 1.844 120.598 118.700 0.091 0.000 2.456 334 N HA 0.462 5.202 4.740 -0.000 0.000 0.288 334 N C -0.074 175.454 175.510 0.031 0.000 1.059 334 N CA -0.086 52.993 53.050 0.047 0.000 0.946 334 N CB 0.977 39.487 38.487 0.038 0.000 1.150 334 N HN 0.587 nan 8.380 nan 0.000 0.479 335 I N 2.275 122.842 120.570 -0.005 0.000 4.288 335 I HA 0.316 4.486 4.170 -0.000 0.000 0.331 335 I C 1.240 177.362 176.117 0.008 0.000 1.322 335 I CA 0.154 61.456 61.300 0.004 0.000 1.149 335 I CB 0.166 38.162 38.000 -0.006 0.000 1.112 335 I HN 0.661 nan 8.210 nan 0.000 0.403 336 A N 1.209 123.982 122.820 -0.078 0.000 1.835 336 A HA 0.105 4.425 4.320 -0.000 0.000 0.213 336 A C 0.889 178.541 177.584 0.112 0.000 1.210 336 A CA 0.329 52.355 52.037 -0.018 0.000 0.605 336 A CB -0.312 18.607 19.000 -0.135 0.000 0.860 336 A HN 0.261 nan 8.150 nan 0.000 0.447 337 R N 0.477 121.007 120.500 0.050 0.000 2.474 337 R HA -0.077 4.263 4.340 -0.000 0.000 0.275 337 R C -1.902 174.417 176.300 0.031 0.000 0.945 337 R CA -0.429 55.695 56.100 0.040 0.000 1.115 337 R CB -0.711 29.604 30.300 0.024 0.000 0.874 337 R HN 0.401 nan 8.270 nan 0.000 0.421 338 P HA -0.076 nan 4.420 nan 0.000 0.250 338 P C 0.760 178.027 177.300 -0.055 0.000 1.239 338 P CA 0.656 63.729 63.100 -0.045 0.000 0.756 338 P CB 0.199 31.870 31.700 -0.049 0.000 1.013 339 S N -0.253 115.433 115.700 -0.024 0.000 2.547 339 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 339 S C 1.154 175.731 174.600 -0.038 0.000 0.980 339 S CA -0.396 57.791 58.200 -0.022 0.000 0.941 339 S CB -0.890 62.308 63.200 -0.003 0.000 0.763 339 S HN 0.187 nan 8.310 nan 0.000 0.532 340 R N 0.547 121.013 120.500 -0.056 0.000 2.547 340 R HA -0.024 4.316 4.340 -0.000 0.000 0.269 340 R C 0.165 176.410 176.300 -0.092 0.000 0.968 340 R CA 1.146 57.198 56.100 -0.080 0.000 1.101 340 R CB -0.008 30.221 30.300 -0.120 0.000 0.898 340 R HN 0.257 nan 8.270 nan 0.000 0.416 341 A N 3.549 126.306 122.820 -0.105 0.000 2.622 341 A HA 0.146 4.465 4.320 -0.000 0.000 0.283 341 A C -0.071 177.404 177.584 -0.181 0.000 0.998 341 A CA -0.360 51.617 52.037 -0.099 0.000 0.985 341 A CB 0.401 19.362 19.000 -0.065 0.000 1.236 341 A HN 0.847 nan 8.150 nan 0.000 0.559 342 D N -0.276 119.943 120.400 -0.302 0.000 2.188 342 D HA 0.327 4.967 4.640 -0.000 0.000 0.239 342 D C -0.353 175.478 176.300 -0.782 0.000 1.059 342 D CA 1.573 55.148 54.000 -0.708 0.000 0.931 342 D CB 0.070 40.376 40.800 -0.823 0.000 1.011 342 D HN 0.316 nan 8.370 nan 0.000 0.424 343 F N -0.598 119.339 119.950 -0.022 0.000 2.547 343 F HA 0.414 4.941 4.527 -0.000 0.000 0.316 343 F C -1.014 174.798 175.800 0.020 0.000 1.121 343 F CA -1.306 56.673 58.000 -0.034 0.000 0.911 343 F CB 1.132 40.058 39.000 -0.123 0.000 1.179 343 F HN -0.036 nan 8.300 nan 0.000 0.443 344 Y N 3.600 123.922 120.300 0.037 0.000 2.373 344 Y HA 0.422 4.972 4.550 -0.000 0.000 0.336 344 Y C -1.060 174.810 175.900 -0.050 0.000 0.979 344 Y CA -0.755 57.325 58.100 -0.035 0.000 1.080 344 Y CB 1.346 39.792 38.460 -0.023 0.000 1.190 344 Y HN 0.694 nan 8.280 nan 0.000 0.446 345 N N 8.750 127.383 118.700 -0.112 0.000 2.617 345 N HA 0.221 4.961 4.740 -0.000 0.000 0.263 345 N C -2.903 172.409 175.510 -0.331 0.000 1.074 345 N CA -1.889 50.976 53.050 -0.308 0.000 0.841 345 N CB 2.075 40.450 38.487 -0.186 0.000 1.221 345 N HN 0.406 nan 8.380 nan 0.000 0.529 346 P HA 0.102 nan 4.420 nan 0.000 0.262 346 P C -0.310 177.002 177.300 0.021 0.000 1.647 346 P CA 0.385 63.375 63.100 -0.184 0.000 0.865 346 P CB -0.173 31.335 31.700 -0.321 0.000 1.834 347 K N -1.359 119.078 120.400 0.061 0.000 2.591 347 K HA 0.287 4.607 4.320 -0.000 0.000 0.207 347 K C 1.246 177.904 176.600 0.096 0.000 1.711 347 K CA 0.232 56.561 56.287 0.071 0.000 1.059 347 K CB 0.547 33.036 32.500 -0.019 0.000 1.449 347 K HN 0.048 nan 8.250 nan 0.000 0.605 348 A N 0.858 123.686 122.820 0.013 0.000 2.141 348 A HA 0.634 4.954 4.320 -0.000 0.000 0.196 348 A C 0.720 178.080 177.584 -0.373 0.000 1.502 348 A CA 0.780 52.757 52.037 -0.100 0.000 1.075 348 A CB 1.026 19.941 19.000 -0.141 0.000 1.217 348 A HN 0.291 nan 8.150 nan 0.000 0.477 349 G N -0.257 108.223 108.800 -0.534 0.000 2.291 349 G HA2 0.428 4.388 3.960 -0.000 0.000 0.249 349 G HA3 0.428 4.388 3.960 -0.000 0.000 0.249 349 G C -1.029 173.688 174.900 -0.304 0.000 1.340 349 G CA -0.139 44.412 45.100 -0.915 0.000 1.017 349 G HN 1.129 nan 8.290 nan 0.000 0.470 350 R N -1.271 119.038 120.500 -0.319 0.000 2.734 350 R HA 0.800 5.140 4.340 -0.000 0.000 0.271 350 R C -1.730 174.446 176.300 -0.207 0.000 1.021 350 R CA -1.084 54.924 56.100 -0.153 0.000 0.893 350 R CB 1.324 31.446 30.300 -0.297 0.000 1.244 350 R HN 0.688 nan 8.270 nan 0.000 0.464 351 I N 1.507 122.004 120.570 -0.123 0.000 2.499 351 I HA 0.303 4.473 4.170 -0.000 0.000 0.288 351 I C -0.760 175.308 176.117 -0.081 0.000 1.048 351 I CA -0.849 60.401 61.300 -0.083 0.000 1.062 351 I CB 2.537 40.545 38.000 0.013 0.000 1.238 351 I HN 0.640 nan 8.210 nan 0.000 0.426 352 S N 3.253 118.944 115.700 -0.015 0.000 2.549 352 S HA 0.689 5.159 4.470 -0.000 0.000 0.297 352 S C -0.303 174.322 174.600 0.042 0.000 1.115 352 S CA -0.539 57.667 58.200 0.009 0.000 1.059 352 S CB 2.061 65.320 63.200 0.098 0.000 1.046 352 S HN 0.564 nan 8.310 nan 0.000 0.506 353 T N 2.344 116.897 114.554 -0.001 0.000 2.893 353 T HA 0.572 4.922 4.350 -0.000 0.000 0.291 353 T C -1.415 173.305 174.700 0.032 0.000 1.028 353 T CA -0.461 61.652 62.100 0.022 0.000 0.995 353 T CB 1.338 70.196 68.868 -0.016 0.000 1.051 353 T HN 0.350 nan 8.240 nan 0.000 0.470 354 L N 4.591 125.849 121.223 0.059 0.000 2.490 354 L HA 0.474 4.814 4.340 -0.000 0.000 0.256 354 L C -0.334 176.586 176.870 0.083 0.000 1.089 354 L CA -0.469 54.411 54.840 0.066 0.000 0.916 354 L CB -0.045 42.061 42.059 0.077 0.000 1.188 354 L HN 0.746 nan 8.230 nan 0.000 0.476 355 N N 0.237 118.983 118.700 0.076 0.000 2.717 355 N HA 0.415 5.155 4.740 -0.000 0.000 0.314 355 N C 1.030 176.608 175.510 0.113 0.000 1.324 355 N CA -0.069 53.042 53.050 0.101 0.000 0.902 355 N CB -0.001 38.537 38.487 0.086 0.000 1.126 355 N HN 0.226 nan 8.380 nan 0.000 0.579 356 S N -0.561 115.236 115.700 0.161 0.000 2.356 356 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 356 S C 1.787 176.438 174.600 0.085 0.000 1.032 356 S CA 0.963 59.253 58.200 0.150 0.000 1.005 356 S CB -0.969 62.398 63.200 0.279 0.000 0.867 356 S HN 0.398 nan 8.310 nan 0.000 0.449 357 L N 2.612 123.886 121.223 0.085 0.000 2.151 357 L HA -0.133 4.207 4.340 -0.000 0.000 0.215 357 L C 2.936 179.826 176.870 0.032 0.000 1.084 357 L CA 2.113 56.983 54.840 0.050 0.000 0.764 357 L CB -1.647 40.438 42.059 0.044 0.000 0.891 357 L HN 0.780 nan 8.230 nan 0.000 0.435 358 T N -4.323 110.254 114.554 0.038 0.000 2.988 358 T HA 0.109 4.459 4.350 -0.000 0.000 0.240 358 T C 0.770 175.486 174.700 0.027 0.000 1.014 358 T CA -0.092 62.025 62.100 0.028 0.000 1.155 358 T CB -0.221 68.666 68.868 0.032 0.000 0.872 358 T HN -0.009 nan 8.240 nan 0.000 0.440 359 L N 3.557 124.804 121.223 0.040 0.000 2.426 359 L HA 0.508 4.848 4.340 -0.000 0.000 0.255 359 L C -2.200 174.684 176.870 0.024 0.000 1.080 359 L CA -2.579 52.281 54.840 0.033 0.000 0.960 359 L CB 1.431 43.525 42.059 0.058 0.000 1.326 359 L HN -0.111 nan 8.230 nan 0.000 0.441 360 P HA -0.244 nan 4.420 nan 0.000 0.217 360 P C 1.469 178.717 177.300 -0.086 0.000 1.151 360 P CA 1.893 64.966 63.100 -0.045 0.000 0.849 360 P CB 0.239 31.903 31.700 -0.060 0.000 0.787 361 A N -0.944 121.837 122.820 -0.066 0.000 2.084 361 A HA -0.204 4.116 4.320 -0.000 0.000 0.221 361 A C 2.109 179.633 177.584 -0.100 0.000 1.161 361 A CA 1.401 53.386 52.037 -0.085 0.000 0.653 361 A CB -1.640 17.387 19.000 0.044 0.000 0.802 361 A HN 0.170 nan 8.150 nan 0.000 0.457 362 L N -1.346 119.896 121.223 0.032 0.000 2.046 362 L HA -0.213 4.126 4.340 -0.000 0.000 0.208 362 L C 2.678 179.523 176.870 -0.043 0.000 1.077 362 L CA 1.588 56.504 54.840 0.126 0.000 0.747 362 L CB -0.513 41.643 42.059 0.161 0.000 0.896 362 L HN 0.412 nan 8.230 nan 0.000 0.432 363 R N 0.883 121.272 120.500 -0.185 0.000 2.133 363 R HA -0.260 4.080 4.340 -0.000 0.000 0.245 363 R C 2.150 178.230 176.300 -0.366 0.000 1.137 363 R CA 1.899 57.742 56.100 -0.427 0.000 0.947 363 R CB -0.602 29.406 30.300 -0.487 0.000 0.865 363 R HN 0.247 nan 8.270 nan 0.000 0.437 364 Q N -1.045 118.437 119.800 -0.530 0.000 2.291 364 Q HA -0.049 4.291 4.340 -0.000 0.000 0.206 364 Q C 1.139 176.801 176.000 -0.565 0.000 0.976 364 Q CA 1.414 56.856 55.803 -0.602 0.000 0.875 364 Q CB -0.048 28.145 28.738 -0.908 0.000 0.927 364 Q HN 0.445 nan 8.270 nan 0.000 0.450 365 F N -2.026 117.880 119.950 -0.073 0.000 2.706 365 F HA 0.389 4.916 4.527 -0.000 0.000 0.308 365 F C 1.269 176.990 175.800 -0.132 0.000 1.095 365 F CA -0.065 57.852 58.000 -0.138 0.000 1.244 365 F CB -0.099 38.842 39.000 -0.098 0.000 1.063 365 F HN -0.041 nan 8.300 nan 0.000 0.582 366 G N 2.287 111.135 108.800 0.080 0.000 2.372 366 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.297 366 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.297 366 G C -0.433 174.532 174.900 0.108 0.000 1.005 366 G CA 0.337 45.509 45.100 0.120 0.000 1.173 366 G HN 0.342 nan 8.290 nan 0.000 0.511 367 L N -0.816 120.506 121.223 0.165 0.000 2.403 367 L HA 0.904 5.244 4.340 -0.000 0.000 0.253 367 L C 0.315 177.284 176.870 0.166 0.000 1.045 367 L CA -0.461 54.461 54.840 0.136 0.000 0.845 367 L CB 2.485 44.597 42.059 0.088 0.000 1.447 367 L HN 0.805 nan 8.230 nan 0.000 0.411 368 S N -0.165 115.629 115.700 0.157 0.000 2.643 368 S HA 0.923 5.393 4.470 -0.000 0.000 0.266 368 S C -1.487 173.222 174.600 0.182 0.000 1.130 368 S CA -0.278 58.017 58.200 0.158 0.000 0.817 368 S CB 1.987 65.271 63.200 0.140 0.000 1.107 368 S HN 1.204 nan 8.310 nan 0.000 0.471 369 A N 0.363 123.278 122.820 0.159 0.000 2.605 369 A HA 0.777 5.096 4.320 -0.000 0.000 0.294 369 A C -1.666 175.976 177.584 0.096 0.000 1.062 369 A CA -0.756 51.368 52.037 0.145 0.000 0.682 369 A CB 1.535 20.664 19.000 0.215 0.000 1.278 369 A HN 0.792 nan 8.150 nan 0.000 0.410 370 Q N -0.060 119.781 119.800 0.069 0.000 2.387 370 Q HA 0.536 4.876 4.340 -0.000 0.000 0.273 370 Q C -1.769 174.334 176.000 0.172 0.000 1.089 370 Q CA -0.577 55.291 55.803 0.108 0.000 0.824 370 Q CB 2.975 31.784 28.738 0.117 0.000 1.367 370 Q HN 0.732 nan 8.270 nan 0.000 0.443 371 Y N 0.965 121.286 120.300 0.037 0.000 2.341 371 Y HA 0.562 5.112 4.550 -0.000 0.000 0.338 371 Y C -1.265 174.694 175.900 0.099 0.000 0.965 371 Y CA -0.897 57.238 58.100 0.059 0.000 1.108 371 Y CB 1.218 39.698 38.460 0.032 0.000 1.180 371 Y HN 0.353 nan 8.280 nan 0.000 0.458 372 V N 6.590 126.441 119.914 -0.105 0.000 2.709 372 V HA 0.478 4.598 4.120 -0.000 0.000 0.308 372 V C -1.096 174.754 176.094 -0.407 0.000 1.062 372 V CA -0.868 61.351 62.300 -0.135 0.000 0.901 372 V CB 1.887 33.903 31.823 0.321 0.000 1.003 372 V HN 0.543 nan 8.190 nan 0.000 0.425 373 V N 5.694 125.342 119.914 -0.444 0.000 2.483 373 V HA 0.516 4.636 4.120 -0.000 0.000 0.297 373 V C -0.544 175.270 176.094 -0.467 0.000 1.027 373 V CA -0.447 61.589 62.300 -0.439 0.000 0.855 373 V CB 1.707 33.291 31.823 -0.398 0.000 0.995 373 V HN 0.651 nan 8.190 nan 0.000 0.424 374 L N 5.644 126.647 121.223 -0.367 0.000 2.294 374 L HA 0.544 4.884 4.340 -0.000 0.000 0.283 374 L C -0.121 176.675 176.870 -0.123 0.000 1.015 374 L CA -0.384 54.271 54.840 -0.309 0.000 0.831 374 L CB 0.960 42.876 42.059 -0.238 0.000 1.217 374 L HN 0.576 nan 8.230 nan 0.000 0.420 375 Y N 1.544 121.795 120.300 -0.082 0.000 2.414 375 Y HA 0.122 4.672 4.550 -0.000 0.000 0.421 375 Y C 1.171 177.039 175.900 -0.053 0.000 1.365 375 Y CA -0.929 57.136 58.100 -0.057 0.000 1.949 375 Y CB 0.285 38.723 38.460 -0.037 0.000 1.747 375 Y HN 0.500 nan 8.280 nan 0.000 0.649 376 R N 1.530 122.125 120.500 0.157 0.000 2.538 376 R HA -0.123 4.217 4.340 -0.000 0.000 0.282 376 R C -0.117 176.210 176.300 0.045 0.000 1.009 376 R CA 0.785 56.922 56.100 0.061 0.000 1.063 376 R CB -0.518 29.799 30.300 0.029 0.000 0.945 376 R HN 0.858 nan 8.270 nan 0.000 0.414 377 N N 1.442 120.154 118.700 0.020 0.000 2.693 377 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 377 N C -0.139 175.370 175.510 -0.001 0.000 1.119 377 N CA 0.404 53.458 53.050 0.008 0.000 0.717 377 N CB -0.612 37.879 38.487 0.006 0.000 1.071 377 N HN 0.824 nan 8.380 nan 0.000 0.555 378 G N 0.707 109.503 108.800 -0.006 0.000 2.299 378 G HA2 0.358 4.318 3.960 -0.000 0.000 0.256 378 G HA3 0.358 4.318 3.960 -0.000 0.000 0.256 378 G C 0.050 174.923 174.900 -0.045 0.000 1.259 378 G CA -0.000 45.072 45.100 -0.046 0.000 0.943 378 G HN 0.321 nan 8.290 nan 0.000 0.479 379 I N 2.293 122.833 120.570 -0.050 0.000 2.389 379 I HA 0.143 4.313 4.170 -0.000 0.000 0.288 379 I C -0.959 175.151 176.117 -0.011 0.000 0.999 379 I CA -0.941 60.353 61.300 -0.011 0.000 1.129 379 I CB 1.949 39.944 38.000 -0.008 0.000 1.288 379 I HN 0.410 nan 8.210 nan 0.000 0.444 380 Y N 7.061 127.311 120.300 -0.084 0.000 2.676 380 Y HA 0.235 4.785 4.550 -0.000 0.000 0.338 380 Y C 0.771 176.628 175.900 -0.072 0.000 1.057 380 Y CA -1.450 56.576 58.100 -0.124 0.000 1.314 380 Y CB 0.334 38.741 38.460 -0.088 0.000 1.164 380 Y HN 0.653 nan 8.280 nan 0.000 0.509 381 S N 5.771 121.569 115.700 0.162 0.000 2.554 381 S HA 0.082 4.551 4.470 -0.000 0.000 0.290 381 S C -2.642 172.101 174.600 0.238 0.000 1.309 381 S CA -1.129 57.142 58.200 0.118 0.000 1.047 381 S CB 0.148 63.339 63.200 -0.015 0.000 0.828 381 S HN 0.514 nan 8.310 nan 0.000 0.509 382 P HA 0.047 nan 4.420 nan 0.000 0.259 382 P C -0.220 177.290 177.300 0.350 0.000 1.163 382 P CA 0.875 64.118 63.100 0.240 0.000 0.760 382 P CB -0.004 31.784 31.700 0.147 0.000 0.762 383 H N 1.667 120.803 119.070 0.110 0.000 3.008 383 H HA 0.687 5.243 4.556 -0.000 0.000 0.354 383 H C -1.471 173.952 175.328 0.159 0.000 1.252 383 H CA -1.074 55.020 56.048 0.077 0.000 1.117 383 H CB 0.876 30.651 29.762 0.021 0.000 1.857 383 H HN 0.582 nan 8.280 nan 0.000 0.547 384 W N 0.919 122.172 121.300 -0.079 0.000 3.167 384 W HA 0.567 5.227 4.660 -0.000 0.000 0.324 384 W C -1.945 174.543 176.519 -0.052 0.000 1.230 384 W CA -0.875 56.390 57.345 -0.133 0.000 1.184 384 W CB 0.775 30.198 29.460 -0.061 0.000 1.414 384 W HN 0.437 nan 8.180 nan 0.000 0.551 385 N N 2.429 121.185 118.700 0.095 0.000 2.420 385 N HA 0.233 4.973 4.740 -0.000 0.000 0.249 385 N C 0.651 176.252 175.510 0.151 0.000 1.033 385 N CA -0.430 52.633 53.050 0.022 0.000 0.944 385 N CB 1.223 39.714 38.487 0.007 0.000 1.113 385 N HN 0.432 nan 8.380 nan 0.000 0.502 386 L N 2.009 123.264 121.223 0.053 0.000 2.127 386 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 386 L C 0.537 177.453 176.870 0.076 0.000 1.089 386 L CA 1.420 56.349 54.840 0.148 0.000 0.757 386 L CB -0.719 41.366 42.059 0.042 0.000 0.899 386 L HN 0.777 nan 8.230 nan 0.000 0.434 387 N N -1.910 116.778 118.700 -0.019 0.000 2.635 387 N HA 0.545 5.285 4.740 -0.000 0.000 0.252 387 N C -0.659 174.822 175.510 -0.048 0.000 1.589 387 N CA 0.120 53.147 53.050 -0.040 0.000 0.828 387 N CB 0.822 39.247 38.487 -0.103 0.000 1.403 387 N HN 0.040 nan 8.380 nan 0.000 0.518 388 A N 0.978 123.795 122.820 -0.006 0.000 2.585 388 A HA 0.340 4.660 4.320 -0.000 0.000 0.299 388 A C -1.761 175.817 177.584 -0.010 0.000 1.047 388 A CA -0.902 51.145 52.037 0.016 0.000 0.723 388 A CB 0.908 19.918 19.000 0.017 0.000 1.275 388 A HN 0.316 nan 8.150 nan 0.000 0.408 389 N N 1.339 120.030 118.700 -0.016 0.000 2.458 389 N HA 0.426 5.166 4.740 -0.000 0.000 0.270 389 N C -0.483 175.003 175.510 -0.040 0.000 1.102 389 N CA 0.212 53.225 53.050 -0.061 0.000 0.967 389 N CB 1.402 39.845 38.487 -0.072 0.000 1.078 389 N HN 0.532 nan 8.380 nan 0.000 0.471 390 S N 1.062 116.722 115.700 -0.067 0.000 2.437 390 S HA 0.444 4.914 4.470 -0.000 0.000 0.305 390 S C 0.086 174.639 174.600 -0.079 0.000 1.109 390 S CA -0.767 57.399 58.200 -0.056 0.000 1.099 390 S CB 1.472 64.626 63.200 -0.078 0.000 1.004 390 S HN 0.190 nan 8.310 nan 0.000 0.475 391 V N 4.649 124.542 119.914 -0.036 0.000 2.459 391 V HA 0.501 4.621 4.120 -0.000 0.000 0.295 391 V C -0.305 175.715 176.094 -0.123 0.000 1.029 391 V CA -0.593 61.674 62.300 -0.054 0.000 0.874 391 V CB 1.330 33.184 31.823 0.053 0.000 0.985 391 V HN 0.791 nan 8.190 nan 0.000 0.438 392 I N 4.729 125.188 120.570 -0.187 0.000 2.404 392 I HA 0.449 4.619 4.170 -0.000 0.000 0.293 392 I C -1.331 174.698 176.117 -0.146 0.000 0.992 392 I CA -0.730 60.414 61.300 -0.260 0.000 1.149 392 I CB 1.738 39.543 38.000 -0.326 0.000 1.315 392 I HN 0.629 nan 8.210 nan 0.000 0.446 393 Y N 6.405 126.541 120.300 -0.272 0.000 2.338 393 Y HA 0.510 5.059 4.550 -0.000 0.000 0.333 393 Y C -0.969 174.925 175.900 -0.011 0.000 0.968 393 Y CA -0.840 57.170 58.100 -0.151 0.000 1.123 393 Y CB 1.536 39.897 38.460 -0.166 0.000 1.165 393 Y HN 0.213 nan 8.280 nan 0.000 0.452 394 V N 6.370 125.967 119.914 -0.528 0.000 2.406 394 V HA 0.145 4.264 4.120 -0.000 0.000 0.272 394 V C 0.903 176.729 176.094 -0.446 0.000 1.043 394 V CA 0.566 62.707 62.300 -0.264 0.000 0.915 394 V CB 0.945 32.698 31.823 -0.117 0.000 0.988 394 V HN 0.993 nan 8.190 nan 0.000 0.466 395 T N 2.080 116.575 114.554 -0.098 0.000 3.009 395 T HA 0.132 4.482 4.350 -0.000 0.000 0.258 395 T C 0.774 175.495 174.700 0.036 0.000 1.063 395 T CA 0.223 62.339 62.100 0.027 0.000 1.139 395 T CB 0.317 69.298 68.868 0.188 0.000 0.890 395 T HN 0.521 nan 8.240 nan 0.000 0.471 396 R N -0.102 120.418 120.500 0.032 0.000 2.536 396 R HA 0.522 4.861 4.340 -0.000 0.000 0.269 396 R C -0.626 175.669 176.300 -0.009 0.000 1.113 396 R CA 0.258 56.372 56.100 0.024 0.000 0.948 396 R CB 1.285 31.619 30.300 0.055 0.000 1.237 396 R HN 0.547 nan 8.270 nan 0.000 0.441 397 G N 2.323 111.114 108.800 -0.014 0.000 2.298 397 G HA2 0.087 4.047 3.960 -0.000 0.000 0.309 397 G HA3 0.087 4.047 3.960 -0.000 0.000 0.309 397 G C -1.657 173.230 174.900 -0.021 0.000 1.279 397 G CA -0.300 44.782 45.100 -0.029 0.000 1.042 397 G HN 0.618 nan 8.290 nan 0.000 0.480 398 K N -0.528 119.856 120.400 -0.026 0.000 2.554 398 K HA 0.541 4.861 4.320 -0.000 0.000 0.292 398 K C -0.241 176.356 176.600 -0.004 0.000 1.117 398 K CA 0.287 56.572 56.287 -0.004 0.000 1.080 398 K CB 0.414 32.918 32.500 0.006 0.000 1.401 398 K HN 2.083 nan 8.250 nan 0.000 0.437 399 G N 2.120 110.927 108.800 0.012 0.000 2.815 399 G HA2 0.532 4.492 3.960 -0.000 0.000 0.305 399 G HA3 0.532 4.492 3.960 -0.000 0.000 0.305 399 G C -1.822 173.111 174.900 0.055 0.000 1.277 399 G CA -0.813 44.297 45.100 0.017 0.000 0.795 399 G HN 0.374 nan 8.290 nan 0.000 0.528 400 R N -0.650 119.883 120.500 0.056 0.000 2.346 400 R HA 0.654 4.994 4.340 -0.000 0.000 0.311 400 R C -1.024 175.354 176.300 0.129 0.000 0.983 400 R CA -0.241 55.906 56.100 0.079 0.000 0.880 400 R CB 1.359 31.687 30.300 0.046 0.000 1.100 400 R HN 0.312 nan 8.270 nan 0.000 0.453 401 V N 5.598 125.641 119.914 0.215 0.000 2.483 401 V HA 0.538 4.658 4.120 -0.000 0.000 0.297 401 V C -0.382 175.916 176.094 0.340 0.000 1.027 401 V CA -0.825 61.644 62.300 0.282 0.000 0.855 401 V CB 1.824 33.843 31.823 0.327 0.000 0.995 401 V HN 0.705 nan 8.190 nan 0.000 0.424 402 R N 3.342 123.973 120.500 0.218 0.000 2.437 402 R HA 0.806 5.146 4.340 -0.000 0.000 0.310 402 R C -1.443 174.954 176.300 0.163 0.000 0.955 402 R CA -0.692 55.517 56.100 0.183 0.000 0.851 402 R CB 2.448 32.803 30.300 0.093 0.000 1.161 402 R HN 0.494 nan 8.270 nan 0.000 0.446 403 V N 3.762 123.792 119.914 0.194 0.000 2.443 403 V HA 0.339 4.459 4.120 -0.000 0.000 0.293 403 V C -0.441 175.694 176.094 0.068 0.000 1.021 403 V CA -0.829 61.556 62.300 0.141 0.000 0.848 403 V CB 1.888 33.826 31.823 0.191 0.000 0.998 403 V HN 0.460 nan 8.190 nan 0.000 0.424 404 V N 5.407 125.315 119.914 -0.010 0.000 2.448 404 V HA 0.432 4.552 4.120 -0.000 0.000 0.295 404 V C 0.138 176.030 176.094 -0.337 0.000 1.025 404 V CA -0.759 61.466 62.300 -0.125 0.000 0.859 404 V CB 1.978 33.751 31.823 -0.082 0.000 0.988 404 V HN 1.082 nan 8.190 nan 0.000 0.431 408 G N 1.951 110.677 108.800 -0.124 0.000 2.376 408 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.208 408 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.208 408 G C 0.019 174.868 174.900 -0.085 0.000 1.032 408 G CA -0.003 45.041 45.100 -0.094 0.000 0.641 408 G HN 0.407 nan 8.290 nan 0.000 0.503 409 N N 1.040 119.690 118.700 -0.083 0.000 2.340 409 N HA 0.467 5.207 4.740 -0.000 0.000 0.236 409 N C 0.188 175.653 175.510 -0.074 0.000 1.296 409 N CA 0.026 53.037 53.050 -0.065 0.000 0.896 409 N CB 0.912 39.367 38.487 -0.053 0.000 1.127 409 N HN 0.839 nan 8.380 nan 0.000 0.442 410 A N 0.732 123.525 122.820 -0.044 0.000 2.276 410 A HA 0.295 4.615 4.320 -0.000 0.000 0.300 410 A C 1.163 178.749 177.584 0.003 0.000 1.235 410 A CA -0.958 51.066 52.037 -0.022 0.000 0.867 410 A CB 0.383 19.376 19.000 -0.011 0.000 1.137 410 A HN 0.714 nan 8.150 nan 0.000 0.527 411 V N 0.537 120.473 119.914 0.036 0.000 3.306 411 V HA 0.359 4.479 4.120 -0.000 0.000 0.264 411 V C 0.221 176.439 176.094 0.206 0.000 1.149 411 V CA 0.742 63.100 62.300 0.097 0.000 1.143 411 V CB -1.383 30.515 31.823 0.126 0.000 0.767 411 V HN 0.852 nan 8.190 nan 0.000 0.476 412 F N 0.089 120.048 119.950 0.015 0.000 2.651 412 F HA 0.637 5.164 4.527 -0.000 0.000 0.327 412 F C -2.089 173.720 175.800 0.014 0.000 1.133 412 F CA -0.879 57.132 58.000 0.018 0.000 1.076 412 F CB 1.645 40.661 39.000 0.028 0.000 1.315 412 F HN 0.002 nan 8.300 nan 0.000 0.499 413 D N 3.918 123.895 120.400 -0.704 0.000 2.613 413 D HA 0.682 5.322 4.640 -0.000 0.000 0.230 413 D C -0.321 175.615 176.300 -0.608 0.000 1.365 413 D CA 0.294 54.022 54.000 -0.454 0.000 0.976 413 D CB 1.756 42.443 40.800 -0.187 0.000 1.415 413 D HN 0.990 nan 8.370 nan 0.000 0.589 414 G N 1.379 109.878 108.800 -0.501 0.000 2.348 414 G HA2 0.253 4.213 3.960 -0.000 0.000 0.296 414 G HA3 0.253 4.213 3.960 -0.000 0.000 0.296 414 G C -1.359 173.516 174.900 -0.042 0.000 1.258 414 G CA -0.762 44.162 45.100 -0.293 0.000 0.868 414 G HN 0.150 nan 8.290 nan 0.000 0.488 415 E N -0.416 119.790 120.200 0.011 0.000 2.313 415 E HA 0.553 4.903 4.350 -0.000 0.000 0.272 415 E C -1.067 175.630 176.600 0.161 0.000 1.038 415 E CA -0.449 55.997 56.400 0.077 0.000 0.863 415 E CB 2.363 32.089 29.700 0.043 0.000 1.060 415 E HN 0.335 nan 8.360 nan 0.000 0.402 416 L N 3.172 124.480 121.223 0.141 0.000 2.446 416 L HA 0.260 4.600 4.340 -0.000 0.000 0.268 416 L C -0.598 176.314 176.870 0.070 0.000 0.975 416 L CA -0.343 54.579 54.840 0.137 0.000 0.848 416 L CB 0.969 43.121 42.059 0.156 0.000 1.225 416 L HN 0.456 nan 8.230 nan 0.000 0.410 417 R N 3.202 123.735 120.500 0.056 0.000 2.598 417 R HA 0.596 4.936 4.340 -0.000 0.000 0.279 417 R C -0.131 176.169 176.300 -0.001 0.000 0.984 417 R CA -0.977 55.139 56.100 0.028 0.000 0.999 417 R CB 1.049 31.371 30.300 0.035 0.000 1.114 417 R HN 0.564 nan 8.270 nan 0.000 0.493 418 R N 0.556 121.042 120.500 -0.024 0.000 2.538 418 R HA -0.079 4.261 4.340 -0.000 0.000 0.273 418 R C 0.431 176.694 176.300 -0.063 0.000 0.967 418 R CA 2.161 58.216 56.100 -0.076 0.000 1.101 418 R CB -0.068 30.209 30.300 -0.038 0.000 0.908 418 R HN 1.046 nan 8.270 nan 0.000 0.411 419 G N 2.404 111.089 108.800 -0.193 0.000 2.194 419 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 419 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 419 G C -0.036 174.999 174.900 0.226 0.000 0.987 419 G CA 0.239 45.364 45.100 0.042 0.000 0.635 419 G HN 0.624 nan 8.290 nan 0.000 0.520 420 Q N -0.678 119.157 119.800 0.058 0.000 2.199 420 Q HA 0.800 5.139 4.340 -0.000 0.000 0.232 420 Q C -0.649 175.395 176.000 0.073 0.000 0.969 420 Q CA -0.727 55.166 55.803 0.149 0.000 0.925 420 Q CB 1.997 30.781 28.738 0.077 0.000 1.198 420 Q HN 0.331 nan 8.270 nan 0.000 0.494 421 L N 1.282 122.496 121.223 -0.014 0.000 2.381 421 L HA 0.641 4.981 4.340 -0.000 0.000 0.268 421 L C -1.938 174.798 176.870 -0.223 0.000 0.997 421 L CA -0.695 54.020 54.840 -0.209 0.000 0.818 421 L CB 2.011 43.686 42.059 -0.639 0.000 1.310 421 L HN 0.561 nan 8.230 nan 0.000 0.416 422 L N 4.093 125.173 121.223 -0.239 0.000 2.445 422 L HA 0.768 5.108 4.340 -0.000 0.000 0.262 422 L C -1.539 175.187 176.870 -0.241 0.000 0.974 422 L CA -0.412 54.257 54.840 -0.284 0.000 0.822 422 L CB 2.484 44.333 42.059 -0.350 0.000 1.339 422 L HN 0.350 nan 8.230 nan 0.000 0.409 423 V N 4.523 124.300 119.914 -0.227 0.000 2.459 423 V HA 0.539 4.659 4.120 -0.000 0.000 0.295 423 V C -0.613 175.380 176.094 -0.169 0.000 1.029 423 V CA -0.652 61.541 62.300 -0.178 0.000 0.874 423 V CB 1.807 33.538 31.823 -0.154 0.000 0.985 423 V HN 0.485 nan 8.190 nan 0.000 0.438 424 V N 6.896 126.715 119.914 -0.158 0.000 2.266 424 V HA 0.299 4.418 4.120 -0.000 0.000 0.271 424 V C -2.411 173.556 176.094 -0.211 0.000 1.032 424 V CA -1.967 60.250 62.300 -0.137 0.000 0.806 424 V CB 1.173 32.927 31.823 -0.116 0.000 1.052 424 V HN 0.737 nan 8.190 nan 0.000 0.449 425 P HA -0.039 nan 4.420 nan 0.000 0.261 425 P C 0.930 177.933 177.300 -0.494 0.000 1.173 425 P CA 0.600 63.297 63.100 -0.671 0.000 0.760 425 P CB 0.550 31.359 31.700 -1.486 0.000 0.783 426 Q N 4.272 123.910 119.800 -0.270 0.000 2.075 426 Q HA -0.421 3.919 4.340 -0.000 0.000 0.464 426 Q C 0.933 176.953 176.000 0.033 0.000 0.954 426 Q CA 2.592 58.341 55.803 -0.090 0.000 0.898 426 Q CB -0.797 27.908 28.738 -0.055 0.000 0.985 426 Q HN 0.498 nan 8.270 nan 0.000 0.567 427 N N -0.413 118.347 118.700 0.100 0.000 2.609 427 N HA 0.001 4.741 4.740 -0.000 0.000 0.190 427 N C -0.346 175.324 175.510 0.266 0.000 1.157 427 N CA -0.418 52.744 53.050 0.186 0.000 0.918 427 N CB -0.198 38.344 38.487 0.092 0.000 0.978 427 N HN 0.151 nan 8.380 nan 0.000 0.448 428 F N 0.897 120.840 119.950 -0.012 0.000 2.506 428 F HA 0.054 4.581 4.527 -0.000 0.000 0.351 428 F C 0.757 176.555 175.800 -0.004 0.000 1.136 428 F CA -0.882 57.098 58.000 -0.033 0.000 1.298 428 F CB 0.671 39.652 39.000 -0.033 0.000 1.145 428 F HN -0.253 nan 8.300 nan 0.000 0.593 429 V N 4.232 124.219 119.914 0.121 0.000 2.427 429 V HA 0.393 4.513 4.120 -0.000 0.000 0.286 429 V C -0.240 175.869 176.094 0.026 0.000 1.034 429 V CA -0.504 61.850 62.300 0.091 0.000 0.893 429 V CB 1.530 33.383 31.823 0.050 0.000 0.982 429 V HN 0.513 nan 8.190 nan 0.000 0.452 430 V N 4.166 124.027 119.914 -0.088 0.000 3.040 430 V HA 1.016 5.136 4.120 -0.000 0.000 0.312 430 V C -0.523 175.514 176.094 -0.095 0.000 1.115 430 V CA -0.133 62.106 62.300 -0.103 0.000 0.998 430 V CB 2.307 34.036 31.823 -0.157 0.000 1.042 430 V HN 1.163 nan 8.190 nan 0.000 0.433 431 A N 3.845 126.687 122.820 0.037 0.000 2.520 431 A HA 0.935 5.255 4.320 -0.000 0.000 0.298 431 A C -1.443 176.216 177.584 0.124 0.000 1.051 431 A CA -0.619 51.488 52.037 0.117 0.000 0.690 431 A CB 1.984 21.059 19.000 0.126 0.000 1.281 431 A HN 0.826 nan 8.150 nan 0.000 0.402 432 E N 0.417 120.712 120.200 0.159 0.000 2.312 432 E HA 0.671 5.021 4.350 -0.000 0.000 0.267 432 E C -0.837 175.838 176.600 0.125 0.000 0.894 432 E CA -0.561 55.933 56.400 0.158 0.000 0.773 432 E CB 2.075 31.897 29.700 0.203 0.000 1.241 432 E HN 0.589 nan 8.360 nan 0.000 0.432 433 Q N 0.866 120.704 119.800 0.064 0.000 2.268 433 Q HA 0.573 4.913 4.340 -0.000 0.000 0.266 433 Q C -0.980 175.016 176.000 -0.006 0.000 1.006 433 Q CA -0.749 55.070 55.803 0.026 0.000 0.824 433 Q CB 1.599 30.356 28.738 0.032 0.000 1.306 433 Q HN 0.740 nan 8.270 nan 0.000 0.424 434 G N 1.652 110.431 108.800 -0.035 0.000 2.415 434 G HA2 0.500 4.460 3.960 -0.000 0.000 0.269 434 G HA3 0.500 4.460 3.960 -0.000 0.000 0.269 434 G C 0.367 175.259 174.900 -0.015 0.000 1.209 434 G CA 0.127 45.202 45.100 -0.043 0.000 0.835 434 G HN 0.698 nan 8.290 nan 0.000 0.534 435 G N -0.174 108.620 108.800 -0.010 0.000 2.441 435 G HA2 0.140 4.100 3.960 -0.000 0.000 0.258 435 G HA3 0.140 4.100 3.960 -0.000 0.000 0.258 435 G C 0.847 175.748 174.900 0.002 0.000 1.487 435 G CA -0.149 44.950 45.100 -0.001 0.000 1.058 435 G HN 0.506 nan 8.290 nan 0.000 0.552 436 E N -0.028 120.174 120.200 0.003 0.000 2.482 436 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 436 E C 2.272 178.874 176.600 0.004 0.000 1.047 436 E CA 0.479 56.881 56.400 0.003 0.000 0.869 436 E CB 0.104 29.805 29.700 0.001 0.000 0.836 436 E HN 0.695 nan 8.360 nan 0.000 0.520 437 Q N -1.066 118.736 119.800 0.004 0.000 2.219 437 Q HA 0.343 4.683 4.340 -0.000 0.000 0.209 437 Q C 0.703 176.709 176.000 0.010 0.000 0.854 437 Q CA 0.273 56.079 55.803 0.005 0.000 0.960 437 Q CB 0.760 29.500 28.738 0.003 0.000 1.116 437 Q HN 0.030 nan 8.270 nan 0.000 0.500 438 G N 1.461 110.269 108.800 0.013 0.000 2.757 438 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.638 438 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.638 438 G C -1.480 173.396 174.900 -0.040 0.000 1.344 438 G CA -0.336 44.773 45.100 0.016 0.000 0.855 438 G HN 0.350 nan 8.290 nan 0.000 0.537 439 L N -0.048 121.117 121.223 -0.096 0.000 2.611 439 L HA 0.774 5.113 4.340 -0.000 0.000 0.263 439 L C -0.604 176.085 176.870 -0.302 0.000 0.969 439 L CA -0.375 54.345 54.840 -0.199 0.000 0.894 439 L CB 1.756 43.661 42.059 -0.256 0.000 1.229 439 L HN 0.874 nan 8.230 nan 0.000 0.416 440 E N 4.873 124.942 120.200 -0.218 0.000 2.216 440 E HA 0.563 4.913 4.350 -0.000 0.000 0.260 440 E C -1.841 174.758 176.600 -0.002 0.000 0.880 440 E CA -0.547 55.739 56.400 -0.190 0.000 0.765 440 E CB 1.142 30.797 29.700 -0.075 0.000 1.174 440 E HN 0.609 nan 8.360 nan 0.000 0.417 441 Y N 0.582 120.863 120.300 -0.032 0.000 2.625 441 Y HA 0.728 5.278 4.550 -0.000 0.000 0.338 441 Y C -1.482 174.502 175.900 0.140 0.000 1.123 441 Y CA -1.555 56.569 58.100 0.040 0.000 1.046 441 Y CB 1.314 39.753 38.460 -0.035 0.000 1.299 441 Y HN 0.240 nan 8.280 nan 0.000 0.464 442 V N 2.473 122.513 119.914 0.210 0.000 2.547 442 V HA 0.667 4.787 4.120 -0.000 0.000 0.299 442 V C -1.172 174.716 176.094 -0.342 0.000 1.040 442 V CA -0.600 61.699 62.300 -0.001 0.000 0.913 442 V CB 1.612 33.369 31.823 -0.111 0.000 0.992 442 V HN 0.651 nan 8.190 nan 0.000 0.449 443 V N 7.239 126.943 119.914 -0.349 0.000 2.443 443 V HA 0.478 4.598 4.120 -0.000 0.000 0.293 443 V C -0.476 175.473 176.094 -0.242 0.000 1.021 443 V CA -0.518 61.565 62.300 -0.361 0.000 0.848 443 V CB 1.435 33.092 31.823 -0.277 0.000 0.998 443 V HN 0.761 nan 8.190 nan 0.000 0.424 444 F N 3.460 123.378 119.950 -0.053 0.000 2.396 444 F HA 0.530 5.057 4.527 -0.000 0.000 0.343 444 F C 0.730 176.508 175.800 -0.036 0.000 1.104 444 F CA -0.427 57.552 58.000 -0.035 0.000 1.161 444 F CB 1.176 40.145 39.000 -0.052 0.000 1.146 444 F HN 0.277 nan 8.300 nan 0.000 0.522 445 K N 1.581 122.103 120.400 0.203 0.000 2.579 445 K HA 0.188 4.507 4.320 -0.000 0.000 0.250 445 K C -0.505 176.164 176.600 0.114 0.000 0.952 445 K CA -0.673 55.682 56.287 0.113 0.000 0.857 445 K CB 1.660 34.211 32.500 0.086 0.000 1.123 445 K HN 0.633 nan 8.250 nan 0.000 0.433 446 T N 0.798 115.402 114.554 0.083 0.000 3.826 446 T HA -0.005 4.345 4.350 -0.000 0.000 0.239 446 T C -0.131 174.662 174.700 0.155 0.000 1.007 446 T CA 0.080 62.226 62.100 0.076 0.000 1.171 446 T CB -0.511 68.376 68.868 0.032 0.000 1.153 446 T HN 0.602 nan 8.240 nan 0.000 0.854 447 H N 1.883 120.974 119.070 0.035 0.000 3.091 447 H HA 0.023 4.579 4.556 -0.000 0.000 0.298 447 H C 0.407 175.733 175.328 -0.003 0.000 1.313 447 H CA -0.449 55.607 56.048 0.013 0.000 1.638 447 H CB 0.344 30.082 29.762 -0.039 0.000 2.329 447 H HN 0.738 nan 8.280 nan 0.000 0.409 448 H N 3.346 122.438 119.070 0.037 0.000 2.541 448 H HA -0.033 4.523 4.556 -0.000 0.000 0.289 448 H C 0.194 175.663 175.328 0.235 0.000 1.054 448 H CA 1.787 57.898 56.048 0.105 0.000 1.250 448 H CB 0.283 30.045 29.762 -0.000 0.000 1.369 448 H HN 0.303 nan 8.280 nan 0.000 0.578 449 N N 0.168 118.900 118.700 0.053 0.000 2.651 449 N HA 0.262 5.002 4.740 -0.000 0.000 0.277 449 N C -1.129 174.275 175.510 -0.176 0.000 1.787 449 N CA 0.253 53.291 53.050 -0.021 0.000 0.818 449 N CB 0.232 38.628 38.487 -0.153 0.000 1.316 449 N HN 0.554 nan 8.380 nan 0.000 0.503 450 A N 0.540 123.298 122.820 -0.103 0.000 2.545 450 A HA 0.356 4.675 4.320 -0.000 0.000 0.253 450 A C -0.088 177.404 177.584 -0.153 0.000 1.074 450 A CA 0.142 52.050 52.037 -0.217 0.000 0.760 450 A CB 0.093 19.068 19.000 -0.041 0.000 1.005 450 A HN 0.229 nan 8.150 nan 0.000 0.506 451 V N 3.657 123.452 119.914 -0.198 0.000 2.417 451 V HA 0.622 4.742 4.120 -0.000 0.000 0.291 451 V C 0.415 176.437 176.094 -0.120 0.000 1.024 451 V CA 0.130 62.358 62.300 -0.119 0.000 0.861 451 V CB 1.370 33.119 31.823 -0.123 0.000 0.985 451 V HN 1.166 nan 8.190 nan 0.000 0.436 452 S N 3.458 119.094 115.700 -0.108 0.000 2.671 452 S HA 0.911 5.381 4.470 -0.000 0.000 0.299 452 S C -0.637 173.759 174.600 -0.341 0.000 1.116 452 S CA -0.692 57.373 58.200 -0.225 0.000 0.912 452 S CB 2.359 65.516 63.200 -0.072 0.000 1.130 452 S HN 0.596 nan 8.310 nan 0.000 0.501 453 S N 0.364 115.638 115.700 -0.709 0.000 2.550 453 S HA 0.630 5.100 4.470 -0.000 0.000 0.270 453 S C -1.789 172.332 174.600 -0.799 0.000 1.145 453 S CA -0.845 56.880 58.200 -0.791 0.000 0.852 453 S CB 0.987 63.635 63.200 -0.919 0.000 1.119 453 S HN 0.826 nan 8.310 nan 0.000 0.465 454 Y N -0.724 119.317 120.300 -0.432 0.000 2.387 454 Y HA 0.662 5.212 4.550 -0.000 0.000 0.336 454 Y C 1.051 176.853 175.900 -0.165 0.000 1.067 454 Y CA -1.186 56.786 58.100 -0.214 0.000 1.114 454 Y CB 0.072 38.445 38.460 -0.144 0.000 1.208 454 Y HN 0.568 nan 8.280 nan 0.000 0.458 455 I N 1.579 122.198 120.570 0.080 0.000 2.315 455 I HA -0.307 3.863 4.170 -0.000 0.000 0.251 455 I C 1.925 177.818 176.117 -0.373 0.000 1.125 455 I CA 1.569 62.791 61.300 -0.130 0.000 1.392 455 I CB -0.323 37.543 38.000 -0.223 0.000 1.065 455 I HN 0.761 nan 8.210 nan 0.000 0.424 456 K N 0.284 120.641 120.400 -0.070 0.000 2.152 456 K HA -0.246 4.074 4.320 -0.000 0.000 0.206 456 K C 1.554 178.170 176.600 0.027 0.000 1.048 456 K CA 1.800 58.097 56.287 0.017 0.000 0.933 456 K CB -0.220 32.392 32.500 0.188 0.000 0.721 456 K HN 0.278 nan 8.250 nan 0.000 0.447 457 D N -0.221 120.085 120.400 -0.157 0.000 2.333 457 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 457 D C 1.525 177.722 176.300 -0.171 0.000 0.984 457 D CA 0.236 54.067 54.000 -0.281 0.000 0.873 457 D CB 0.467 40.761 40.800 -0.842 0.000 0.935 457 D HN -0.126 nan 8.370 nan 0.000 0.521 458 V N 0.038 119.858 119.914 -0.157 0.000 2.283 458 V HA -0.151 3.969 4.120 -0.000 0.000 0.243 458 V C 2.112 178.300 176.094 0.157 0.000 1.039 458 V CA 1.254 63.554 62.300 -0.001 0.000 1.016 458 V CB -0.793 31.061 31.823 0.052 0.000 0.650 458 V HN 0.277 nan 8.190 nan 0.000 0.449 459 F N 1.358 121.329 119.950 0.035 0.000 2.120 459 F HA -0.227 4.300 4.527 -0.000 0.000 0.300 459 F C 2.426 178.209 175.800 -0.028 0.000 1.095 459 F CA 1.479 59.488 58.000 0.015 0.000 1.249 459 F CB -0.219 38.771 39.000 -0.016 0.000 0.995 459 F HN 0.215 nan 8.300 nan 0.000 0.480 460 R N 0.694 121.283 120.500 0.149 0.000 2.404 460 R HA 0.322 4.662 4.340 -0.000 0.000 0.236 460 R C 0.761 177.091 176.300 0.049 0.000 1.044 460 R CA 0.622 56.743 56.100 0.035 0.000 1.133 460 R CB -0.160 30.142 30.300 0.003 0.000 1.142 460 R HN 0.183 nan 8.270 nan 0.000 0.512 461 A N 0.793 123.656 122.820 0.072 0.000 2.066 461 A HA 0.341 4.661 4.320 -0.000 0.000 0.198 461 A C 0.677 178.302 177.584 0.069 0.000 1.405 461 A CA -0.281 51.790 52.037 0.057 0.000 0.973 461 A CB 0.533 19.556 19.000 0.038 0.000 1.026 461 A HN 0.200 nan 8.150 nan 0.000 0.474 462 I N 1.673 122.300 120.570 0.095 0.000 2.396 462 I HA 0.280 4.450 4.170 -0.000 0.000 0.292 462 I C -2.462 173.692 176.117 0.060 0.000 0.999 462 I CA -2.313 59.037 61.300 0.083 0.000 1.310 462 I CB 1.398 39.467 38.000 0.115 0.000 1.404 462 I HN -0.020 nan 8.210 nan 0.000 0.496 463 P HA -0.026 nan 4.420 nan 0.000 0.261 463 P C 0.484 177.798 177.300 0.025 0.000 1.173 463 P CA 0.445 63.566 63.100 0.035 0.000 0.760 463 P CB 0.521 32.237 31.700 0.028 0.000 0.783 464 S N 2.934 118.647 115.700 0.023 0.000 2.414 464 S HA -0.283 4.187 4.470 -0.000 0.000 0.238 464 S C 1.394 175.994 174.600 -0.000 0.000 1.055 464 S CA 1.686 59.890 58.200 0.008 0.000 1.174 464 S CB -0.834 62.380 63.200 0.024 0.000 1.087 464 S HN 0.628 nan 8.310 nan 0.000 0.428 465 E N 0.316 120.520 120.200 0.006 0.000 2.455 465 E HA -0.080 4.270 4.350 -0.000 0.000 0.202 465 E C 1.603 178.200 176.600 -0.006 0.000 1.045 465 E CA 0.513 56.912 56.400 -0.000 0.000 0.872 465 E CB -0.174 29.528 29.700 0.003 0.000 0.792 465 E HN 0.315 nan 8.360 nan 0.000 0.542 466 V N 0.584 120.496 119.914 -0.003 0.000 3.052 466 V HA -0.123 3.997 4.120 -0.000 0.000 0.254 466 V C 1.821 177.902 176.094 -0.020 0.000 1.100 466 V CA 0.750 63.045 62.300 -0.009 0.000 1.112 466 V CB -0.020 31.807 31.823 0.005 0.000 0.738 466 V HN 0.306 nan 8.190 nan 0.000 0.469 467 L N -0.386 120.831 121.223 -0.010 0.000 2.202 467 L HA 0.072 4.412 4.340 -0.000 0.000 0.205 467 L C 2.462 179.338 176.870 0.011 0.000 1.083 467 L CA 1.323 56.166 54.840 0.005 0.000 0.790 467 L CB -1.265 40.765 42.059 -0.047 0.000 0.942 467 L HN 0.320 nan 8.230 nan 0.000 0.452 468 S N 0.803 116.496 115.700 -0.011 0.000 2.419 468 S HA -0.148 4.322 4.470 -0.000 0.000 0.233 468 S C 1.523 176.115 174.600 -0.013 0.000 1.016 468 S CA 1.255 59.450 58.200 -0.008 0.000 0.974 468 S CB -0.227 62.965 63.200 -0.012 0.000 0.786 468 S HN 0.492 nan 8.310 nan 0.000 0.492 469 N N 0.395 119.077 118.700 -0.031 0.000 2.373 469 N HA 0.188 4.928 4.740 -0.000 0.000 0.181 469 N C 1.477 176.936 175.510 -0.084 0.000 1.082 469 N CA 0.292 53.315 53.050 -0.045 0.000 0.885 469 N CB 0.149 38.610 38.487 -0.043 0.000 0.977 469 N HN 0.140 nan 8.380 nan 0.000 0.462 470 S N -0.214 115.406 115.700 -0.133 0.000 2.297 470 S HA 0.043 4.513 4.470 -0.000 0.000 0.200 470 S C 0.962 175.393 174.600 -0.280 0.000 1.011 470 S CA 0.519 58.539 58.200 -0.301 0.000 0.938 470 S CB -0.407 62.446 63.200 -0.578 0.000 0.924 470 S HN 0.330 nan 8.310 nan 0.000 0.504 471 Y N 2.237 122.500 120.300 -0.062 0.000 2.502 471 Y HA 0.317 4.867 4.550 -0.000 0.000 0.295 471 Y C 0.089 175.958 175.900 -0.052 0.000 1.193 471 Y CA -0.395 57.673 58.100 -0.053 0.000 1.295 471 Y CB -0.933 37.486 38.460 -0.069 0.000 1.059 471 Y HN 0.179 nan 8.280 nan 0.000 0.514 472 N N 1.051 119.794 118.700 0.071 0.000 2.483 472 N HA -0.151 4.589 4.740 -0.000 0.000 0.280 472 N C -1.216 174.314 175.510 0.032 0.000 1.315 472 N CA 0.495 53.565 53.050 0.033 0.000 0.637 472 N CB -1.410 37.092 38.487 0.025 0.000 0.893 472 N HN 0.365 nan 8.380 nan 0.000 0.535 473 L N -0.303 120.930 121.223 0.016 0.000 2.357 473 L HA 0.925 5.265 4.340 -0.000 0.000 0.244 473 L C 0.883 177.746 176.870 -0.011 0.000 1.115 473 L CA -1.011 53.825 54.840 -0.006 0.000 0.919 473 L CB 2.127 44.169 42.059 -0.029 0.000 1.532 473 L HN 0.393 nan 8.230 nan 0.000 0.416 474 G N -0.829 107.961 108.800 -0.017 0.000 2.620 474 G HA2 0.276 4.236 3.960 -0.000 0.000 0.301 474 G HA3 0.276 4.236 3.960 -0.000 0.000 0.301 474 G C -0.050 174.843 174.900 -0.011 0.000 1.347 474 G CA -0.194 44.899 45.100 -0.011 0.000 0.971 474 G HN 0.549 nan 8.290 nan 0.000 0.488 475 Q N 1.139 120.938 119.800 -0.002 0.000 2.274 475 Q HA -0.321 4.019 4.340 -0.000 0.000 0.217 475 Q C 2.218 178.225 176.000 0.011 0.000 1.008 475 Q CA 3.150 58.957 55.803 0.007 0.000 0.925 475 Q CB -0.473 28.274 28.738 0.015 0.000 0.957 475 Q HN 0.679 nan 8.270 nan 0.000 0.416 476 S N 0.198 115.902 115.700 0.008 0.000 2.349 476 S HA -0.207 4.263 4.470 -0.000 0.000 0.216 476 S C 1.922 176.524 174.600 0.004 0.000 1.033 476 S CA 1.451 59.658 58.200 0.011 0.000 1.021 476 S CB -0.656 62.548 63.200 0.007 0.000 0.968 476 S HN 0.588 nan 8.310 nan 0.000 0.426 477 Q N 0.533 120.326 119.800 -0.012 0.000 2.369 477 Q HA 0.087 4.427 4.340 -0.000 0.000 0.206 477 Q C 2.272 178.239 176.000 -0.056 0.000 0.963 477 Q CA 0.922 56.708 55.803 -0.028 0.000 0.894 477 Q CB -0.354 28.363 28.738 -0.035 0.000 0.965 477 Q HN 0.499 nan 8.270 nan 0.000 0.475 478 V N 0.680 120.561 119.914 -0.056 0.000 2.488 478 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 478 V C 2.139 178.177 176.094 -0.093 0.000 1.046 478 V CA 1.563 63.808 62.300 -0.093 0.000 1.053 478 V CB -0.391 31.391 31.823 -0.068 0.000 0.679 478 V HN 0.271 nan 8.190 nan 0.000 0.458 479 R N -0.063 120.420 120.500 -0.030 0.000 2.307 479 R HA -0.124 4.216 4.340 -0.000 0.000 0.199 479 R C 2.087 178.393 176.300 0.010 0.000 1.000 479 R CA 0.695 56.802 56.100 0.011 0.000 1.023 479 R CB 0.045 30.435 30.300 0.150 0.000 0.908 479 R HN 0.469 nan 8.270 nan 0.000 0.473 480 Q N 0.161 119.953 119.800 -0.014 0.000 2.269 480 Q HA 0.041 4.381 4.340 -0.000 0.000 0.201 480 Q C 1.543 177.530 176.000 -0.023 0.000 0.946 480 Q CA 1.105 56.911 55.803 0.004 0.000 0.877 480 Q CB 0.194 28.932 28.738 0.000 0.000 0.963 480 Q HN 0.404 nan 8.270 nan 0.000 0.472 481 L N -0.440 120.744 121.223 -0.065 0.000 2.446 481 L HA 0.079 4.419 4.340 -0.000 0.000 0.219 481 L C 1.776 178.614 176.870 -0.053 0.000 1.116 481 L CA 0.587 55.418 54.840 -0.015 0.000 0.844 481 L CB -0.017 42.040 42.059 -0.004 0.000 0.970 481 L HN 0.088 nan 8.230 nan 0.000 0.457 482 K N -0.450 119.791 120.400 -0.266 0.000 2.284 482 K HA 0.042 4.362 4.320 -0.000 0.000 0.198 482 K C -0.388 175.826 176.600 -0.644 0.000 1.048 482 K CA 0.644 56.602 56.287 -0.550 0.000 0.987 482 K CB 0.480 32.393 32.500 -0.977 0.000 0.800 482 K HN 0.139 nan 8.250 nan 0.000 0.486 483 Y N 0.901 121.229 120.300 0.047 0.000 2.490 483 Y HA 0.382 4.932 4.550 -0.000 0.000 0.346 483 Y C -0.639 175.276 175.900 0.025 0.000 1.023 483 Y CA -0.976 57.144 58.100 0.033 0.000 1.142 483 Y CB 0.760 39.235 38.460 0.025 0.000 1.126 483 Y HN -0.192 nan 8.280 nan 0.000 0.647 484 Q N 0.811 120.676 119.800 0.109 0.000 2.313 484 Q HA 0.551 4.891 4.340 -0.000 0.000 0.260 484 Q C 0.041 176.065 176.000 0.040 0.000 0.972 484 Q CA 0.103 55.947 55.803 0.069 0.000 0.886 484 Q CB 2.708 31.475 28.738 0.050 0.000 1.373 484 Q HN 0.725 nan 8.270 nan 0.000 0.416 485 G N 2.964 111.780 108.800 0.026 0.000 2.627 485 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.214 485 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.214 485 G C -0.690 174.206 174.900 -0.007 0.000 1.331 485 G CA -0.423 44.678 45.100 0.001 0.000 0.891 485 G HN 0.738 nan 8.290 nan 0.000 0.539 486 N N 0.021 118.698 118.700 -0.038 0.000 2.444 486 N HA 0.340 5.080 4.740 -0.000 0.000 0.271 486 N C 1.457 176.931 175.510 -0.061 0.000 1.069 486 N CA 0.372 53.390 53.050 -0.052 0.000 0.965 486 N CB 1.645 40.080 38.487 -0.086 0.000 1.092 486 N HN 1.350 nan 8.380 nan 0.000 0.476 487 S N 0.768 116.452 115.700 -0.027 0.000 2.488 487 S HA -0.065 4.405 4.470 -0.000 0.000 0.246 487 S C 1.057 175.600 174.600 -0.094 0.000 0.992 487 S CA 0.257 58.454 58.200 -0.006 0.000 0.963 487 S CB -0.730 62.495 63.200 0.042 0.000 0.754 487 S HN 0.763 nan 8.310 nan 0.000 0.519 488 G N 2.059 110.756 108.800 -0.172 0.000 2.476 488 G HA2 0.467 4.427 3.960 -0.000 0.000 0.269 488 G HA3 0.467 4.427 3.960 -0.000 0.000 0.269 488 G C -1.364 173.187 174.900 -0.583 0.000 1.195 488 G CA -1.578 43.320 45.100 -0.337 0.000 0.843 488 G HN 0.187 nan 8.290 nan 0.000 0.545 489 P HA -0.009 nan 4.420 nan 0.000 0.233 489 P C 0.388 177.339 177.300 -0.583 0.000 1.167 489 P CA 0.472 62.963 63.100 -1.015 0.000 0.770 489 P CB 0.324 31.240 31.700 -1.306 0.000 0.837 490 L N 0.921 121.842 121.223 -0.502 0.000 2.282 490 L HA 0.246 4.586 4.340 -0.000 0.000 0.287 490 L C 0.253 176.974 176.870 -0.248 0.000 1.075 490 L CA -0.606 54.002 54.840 -0.388 0.000 0.839 490 L CB 1.091 42.929 42.059 -0.368 0.000 1.219 490 L HN -0.260 nan 8.230 nan 0.000 0.434 491 V N 2.734 122.538 119.914 -0.183 0.000 3.093 491 V HA 0.546 4.666 4.120 -0.000 0.000 0.320 491 V C -0.262 175.783 176.094 -0.082 0.000 1.093 491 V CA -0.857 61.372 62.300 -0.118 0.000 1.016 491 V CB 2.156 33.926 31.823 -0.088 0.000 1.096 491 V HN 0.855 nan 8.190 nan 0.000 0.452 492 N N 1.134 119.800 118.700 -0.057 0.000 2.235 492 N HA 0.517 5.257 4.740 -0.000 0.000 0.293 492 N C -2.910 172.587 175.510 -0.023 0.000 1.083 492 N CA -1.214 51.815 53.050 -0.034 0.000 0.801 492 N CB 2.057 40.527 38.487 -0.027 0.000 1.559 492 N HN 0.480 nan 8.380 nan 0.000 0.472 493 P HA 0.000 nan 4.420 nan 0.000 0.216 493 P CA 0.000 63.095 63.100 -0.009 0.000 0.800 493 P CB 0.000 31.697 31.700 -0.005 0.000 0.726