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 3ie1_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGA AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.285 176.300 -0.026 0.000 1.140 1 M CA 0.000 55.289 55.300 -0.018 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 2 R N 2.923 123.403 120.500 -0.034 0.000 2.795 2 R HA 0.817 5.157 4.340 0.001 0.000 0.275 2 R C -1.549 174.710 176.300 -0.069 0.000 0.981 2 R CA -0.949 55.121 56.100 -0.050 0.000 0.917 2 R CB 2.794 33.065 30.300 -0.048 0.000 1.202 2 R HN 0.623 nan 8.270 nan 0.000 0.469 3 I N 1.550 122.064 120.570 -0.094 0.000 2.447 3 I HA 0.316 4.487 4.170 0.001 0.000 0.287 3 I C -1.395 174.617 176.117 -0.174 0.000 1.023 3 I CA -0.671 60.551 61.300 -0.129 0.000 1.083 3 I CB 2.033 39.950 38.000 -0.138 0.000 1.245 3 I HN 0.329 nan 8.210 nan 0.000 0.434 4 V N 9.157 128.932 119.914 -0.231 0.000 2.357 4 V HA 0.494 4.615 4.120 0.001 0.000 0.284 4 V C -2.345 173.440 176.094 -0.515 0.000 1.018 4 V CA -1.718 60.341 62.300 -0.401 0.000 0.841 4 V CB 1.212 32.728 31.823 -0.510 0.000 0.991 4 V HN 0.627 nan 8.190 nan 0.000 0.437 5 P HA 0.258 nan 4.420 nan 0.000 0.274 5 P C -0.448 176.459 177.300 -0.655 0.000 1.291 5 P CA 0.130 63.075 63.100 -0.259 0.000 0.815 5 P CB 0.030 31.659 31.700 -0.118 0.000 0.897 6 F N 3.091 122.800 119.950 -0.403 0.000 2.850 6 F HA 0.513 5.041 4.527 0.001 0.000 0.306 6 F C 1.329 177.050 175.800 -0.131 0.000 1.162 6 F CA 0.001 57.630 58.000 -0.618 0.000 1.327 6 F CB 0.327 39.161 39.000 -0.278 0.000 0.953 6 F HN 0.308 nan 8.300 nan 0.000 0.507 7 G N -1.321 107.538 108.800 0.098 0.000 2.427 7 G HA2 0.435 4.395 3.960 0.001 0.000 0.306 7 G HA3 0.435 4.395 3.960 0.001 0.000 0.306 7 G C -0.265 174.743 174.900 0.180 0.000 1.280 7 G CA -0.240 44.987 45.100 0.210 0.000 0.837 7 G HN 0.271 nan 8.290 nan 0.000 0.482 8 A N -1.333 121.551 122.820 0.106 0.000 2.238 8 A HA 0.229 4.549 4.320 0.001 0.000 0.282 8 A C 1.032 178.720 177.584 0.173 0.000 1.353 8 A CA 1.909 54.013 52.037 0.111 0.000 0.848 8 A CB -1.437 17.611 19.000 0.081 0.000 1.027 8 A HN 2.415 nan 8.150 nan 0.000 0.362 9 A N 0.296 123.244 122.820 0.214 0.000 2.280 9 A HA 0.665 4.986 4.320 0.001 0.000 0.320 9 A C 1.173 178.842 177.584 0.141 0.000 1.366 9 A CA 0.114 52.258 52.037 0.178 0.000 0.938 9 A CB 0.127 19.254 19.000 0.212 0.000 1.157 9 A HN 1.051 nan 8.150 nan 0.000 0.536 10 R N -0.244 120.317 120.500 0.101 0.000 3.922 10 R HA -0.222 4.118 4.340 0.001 0.000 0.447 10 R C 0.229 176.565 176.300 0.060 0.000 1.035 10 R CA 2.084 58.227 56.100 0.071 0.000 1.289 10 R CB -1.691 28.648 30.300 0.066 0.000 1.906 10 R HN 0.988 nan 8.270 nan 0.000 0.540 11 E N -1.088 119.155 120.200 0.073 0.000 2.447 11 E HA 0.521 4.871 4.350 0.001 0.000 0.258 11 E C 0.482 177.078 176.600 -0.007 0.000 0.916 11 E CA -0.424 56.005 56.400 0.049 0.000 0.846 11 E CB 0.953 30.714 29.700 0.102 0.000 1.517 11 E HN 0.004 nan 8.360 nan 0.000 0.418 12 V N -2.536 117.328 119.914 -0.084 0.000 3.432 12 V HA 0.292 4.412 4.120 0.001 0.000 0.298 12 V C -0.000 175.836 176.094 -0.430 0.000 1.464 12 V CA 0.897 63.003 62.300 -0.324 0.000 1.046 12 V CB -0.126 31.478 31.823 -0.366 0.000 0.887 12 V HN 0.774 nan 8.190 nan 0.000 0.441 13 T N -3.571 110.874 114.554 -0.181 0.000 2.807 13 T HA 0.689 5.040 4.350 0.001 0.000 0.277 13 T C 1.008 175.454 174.700 -0.423 0.000 1.006 13 T CA -0.156 61.806 62.100 -0.230 0.000 1.006 13 T CB 0.927 69.737 68.868 -0.097 0.000 1.274 13 T HN 1.613 nan 8.240 nan 0.000 0.569 14 G N 0.980 109.344 108.800 -0.726 0.000 2.323 14 G HA2 -0.221 3.740 3.960 0.001 0.000 0.292 14 G HA3 -0.221 3.740 3.960 0.001 0.000 0.292 14 G C 0.080 174.558 174.900 -0.704 0.000 1.040 14 G CA 0.080 44.396 45.100 -1.307 0.000 0.942 14 G HN 0.942 nan 8.290 nan 0.000 0.506 15 S N 0.180 115.594 115.700 -0.476 0.000 2.509 15 S HA 0.540 5.010 4.470 0.001 0.000 0.287 15 S C 0.617 175.009 174.600 -0.346 0.000 1.248 15 S CA 0.673 58.661 58.200 -0.353 0.000 1.089 15 S CB 0.954 63.972 63.200 -0.303 0.000 0.900 15 S HN 1.801 nan 8.310 nan 0.000 0.496 16 A N 4.645 127.128 122.820 -0.562 0.000 2.465 16 A HA 0.623 4.943 4.320 0.001 0.000 0.292 16 A C -1.238 175.927 177.584 -0.698 0.000 1.041 16 A CA -0.788 51.011 52.037 -0.397 0.000 0.718 16 A CB 1.088 20.048 19.000 -0.067 0.000 1.266 16 A HN 0.806 nan 8.150 nan 0.000 0.403 17 H N 2.431 121.413 119.070 -0.147 0.000 2.924 17 H HA 0.347 4.903 4.556 0.001 0.000 0.333 17 H C -1.390 173.790 175.328 -0.246 0.000 0.979 17 H CA -0.614 55.287 56.048 -0.245 0.000 1.326 17 H CB 1.788 31.307 29.762 -0.405 0.000 1.600 17 H HN 0.553 nan 8.280 nan 0.000 0.520 18 L N 4.670 125.802 121.223 -0.152 0.000 2.278 18 L HA 0.178 4.518 4.340 0.001 0.000 0.287 18 L C -0.672 176.114 176.870 -0.139 0.000 1.072 18 L CA -0.559 54.159 54.840 -0.203 0.000 0.819 18 L CB 0.277 42.226 42.059 -0.183 0.000 1.176 18 L HN 0.413 nan 8.230 nan 0.000 0.435 19 L N 6.852 128.008 121.223 -0.110 0.000 2.255 19 L HA 0.460 4.801 4.340 0.001 0.000 0.289 19 L C -1.122 175.713 176.870 -0.058 0.000 1.046 19 L CA 0.049 54.845 54.840 -0.075 0.000 0.816 19 L CB 0.648 42.678 42.059 -0.048 0.000 1.197 19 L HN 0.526 nan 8.230 nan 0.000 0.427 20 L N 6.638 127.831 121.223 -0.049 0.000 2.283 20 L HA 0.868 5.209 4.340 0.001 0.000 0.281 20 L C -0.177 176.681 176.870 -0.021 0.000 1.033 20 L CA -0.256 54.567 54.840 -0.029 0.000 0.848 20 L CB 0.848 42.893 42.059 -0.023 0.000 1.226 20 L HN 0.874 nan 8.230 nan 0.000 0.429 21 A N 1.780 124.592 122.820 -0.014 0.000 2.586 21 A HA 0.604 4.925 4.320 0.001 0.000 0.296 21 A C 0.286 177.866 177.584 -0.006 0.000 1.040 21 A CA 0.072 52.103 52.037 -0.010 0.000 0.701 21 A CB 1.072 20.065 19.000 -0.011 0.000 1.277 21 A HN 0.862 nan 8.150 nan 0.000 0.413 22 G N -0.014 108.783 108.800 -0.006 0.000 2.147 22 G HA2 0.292 4.253 3.960 0.001 0.000 0.244 22 G HA3 0.292 4.253 3.960 0.001 0.000 0.244 22 G C 1.766 176.664 174.900 -0.003 0.000 1.005 22 G CA 1.332 46.429 45.100 -0.006 0.000 0.713 22 G HN 3.032 nan 8.290 nan 0.000 0.515 23 G N -1.836 106.963 108.800 -0.001 0.000 2.153 23 G HA2 -0.180 3.781 3.960 0.001 0.000 0.252 23 G HA3 -0.180 3.781 3.960 0.001 0.000 0.252 23 G C 0.357 175.261 174.900 0.006 0.000 0.994 23 G CA 1.279 46.381 45.100 0.002 0.000 0.698 23 G HN 1.059 nan 8.290 nan 0.000 0.521 24 R N -0.992 119.512 120.500 0.005 0.000 2.855 24 R HA 0.687 5.028 4.340 0.001 0.000 0.266 24 R C -0.199 176.106 176.300 0.008 0.000 1.034 24 R CA -0.896 55.211 56.100 0.011 0.000 0.944 24 R CB 1.156 31.462 30.300 0.010 0.000 1.219 24 R HN 0.341 nan 8.270 nan 0.000 0.474 25 R N 0.517 121.026 120.500 0.015 0.000 2.468 25 R HA 0.489 4.830 4.340 0.001 0.000 0.302 25 R C -0.851 175.450 176.300 0.000 0.000 1.041 25 R CA -0.664 55.436 56.100 0.000 0.000 0.899 25 R CB 1.922 32.228 30.300 0.010 0.000 1.167 25 R HN 0.165 nan 8.270 nan 0.000 0.483 26 V N 4.008 123.909 119.914 -0.022 0.000 2.513 26 V HA 0.367 4.488 4.120 0.001 0.000 0.299 26 V C -0.092 175.961 176.094 -0.069 0.000 1.035 26 V CA -0.924 61.365 62.300 -0.017 0.000 0.889 26 V CB 2.263 34.084 31.823 -0.004 0.000 0.988 26 V HN 0.579 nan 8.190 nan 0.000 0.440 27 L N 5.310 126.482 121.223 -0.086 0.000 2.272 27 L HA 0.464 4.805 4.340 0.001 0.000 0.289 27 L C -1.172 175.683 176.870 -0.025 0.000 1.032 27 L CA -0.646 54.108 54.840 -0.143 0.000 0.810 27 L CB 1.493 43.401 42.059 -0.252 0.000 1.205 27 L HN 0.448 nan 8.230 nan 0.000 0.422 28 L N 5.192 126.422 121.223 0.013 0.000 2.270 28 L HA 0.408 4.749 4.340 0.001 0.000 0.286 28 L C -0.312 176.687 176.870 0.215 0.000 1.059 28 L CA -0.060 54.882 54.840 0.170 0.000 0.839 28 L CB -0.019 42.146 42.059 0.177 0.000 1.221 28 L HN 0.582 nan 8.230 nan 0.000 0.431 29 D N 1.342 121.886 120.400 0.241 0.000 10.847 29 D HA -0.245 4.396 4.640 0.001 0.000 0.350 29 D C -0.326 176.003 176.300 0.047 0.000 3.129 29 D CA 0.396 54.526 54.000 0.217 0.000 2.659 29 D CB -0.188 40.858 40.800 0.411 0.000 1.194 29 D HN 0.679 nan 8.370 nan 0.000 0.939 30 C N 2.630 121.945 119.300 0.024 0.000 3.235 30 C HA 0.557 5.018 4.460 0.001 0.000 0.198 30 C C 0.727 175.698 174.990 -0.032 0.000 1.527 30 C CA 0.421 59.424 59.018 -0.025 0.000 1.167 30 C CB -0.612 27.114 27.740 -0.023 0.000 1.938 30 C HN 0.628 nan 8.230 nan 0.000 0.593 31 G N 2.130 110.864 108.800 -0.110 0.000 2.528 31 G HA2 0.609 4.570 3.960 0.001 0.000 0.289 31 G HA3 0.609 4.570 3.960 0.001 0.000 0.289 31 G C -0.272 174.502 174.900 -0.210 0.000 1.192 31 G CA -0.475 44.534 45.100 -0.151 0.000 0.921 31 G HN 0.756 nan 8.290 nan 0.000 0.512 32 M N -0.656 118.857 119.600 -0.145 0.000 2.598 32 M HA 0.707 5.188 4.480 0.001 0.000 0.317 32 M C -1.203 174.963 176.300 -0.224 0.000 1.201 32 M CA -0.699 54.523 55.300 -0.131 0.000 0.971 32 M CB 1.569 34.257 32.600 0.147 0.000 1.657 32 M HN 0.235 nan 8.290 nan 0.000 0.470 33 F N 1.107 121.040 119.950 -0.027 0.000 2.389 33 F HA 0.437 4.964 4.527 0.001 0.000 0.337 33 F C 0.555 176.362 175.800 0.012 0.000 1.112 33 F CA 0.139 58.126 58.000 -0.022 0.000 1.192 33 F CB 0.851 39.822 39.000 -0.047 0.000 1.185 33 F HN 0.659 nan 8.300 nan 0.000 0.552 34 Q N 0.083 119.993 119.800 0.184 0.000 2.943 34 Q HA 0.593 4.934 4.340 0.001 0.000 0.328 34 Q C 0.620 176.695 176.000 0.126 0.000 0.934 34 Q CA -0.502 55.386 55.803 0.141 0.000 0.782 34 Q CB 1.964 30.768 28.738 0.110 0.000 1.470 34 Q HN 0.795 nan 8.270 nan 0.000 0.503 35 G N 0.800 109.667 108.800 0.112 0.000 2.846 35 G HA2 -0.422 3.539 3.960 0.001 0.000 0.317 35 G HA3 -0.422 3.539 3.960 0.001 0.000 0.317 35 G C 0.578 175.526 174.900 0.080 0.000 1.210 35 G CA 1.102 46.261 45.100 0.097 0.000 0.972 35 G HN 0.525 nan 8.290 nan 0.000 0.567 36 K N 0.515 120.957 120.400 0.069 0.000 2.121 36 K HA 0.262 4.583 4.320 0.001 0.000 0.203 36 K C 2.360 178.975 176.600 0.025 0.000 1.041 36 K CA 1.164 57.477 56.287 0.043 0.000 0.969 36 K CB -0.183 32.336 32.500 0.031 0.000 0.799 36 K HN 0.397 nan 8.250 nan 0.000 0.456 37 E N 1.334 121.549 120.200 0.024 0.000 2.035 37 E HA -0.240 4.110 4.350 0.001 0.000 0.204 37 E C 0.941 177.521 176.600 -0.033 0.000 1.025 37 E CA 1.483 57.849 56.400 -0.057 0.000 0.835 37 E CB -0.127 29.517 29.700 -0.093 0.000 0.764 37 E HN 0.161 nan 8.360 nan 0.000 0.457 38 E N -1.469 118.771 120.200 0.067 0.000 4.230 38 E HA -0.407 3.944 4.350 0.001 0.000 0.200 38 E C 1.606 178.230 176.600 0.039 0.000 1.306 38 E CA 2.178 58.631 56.400 0.088 0.000 2.208 38 E CB -1.673 28.084 29.700 0.094 0.000 1.899 38 E HN 0.372 nan 8.360 nan 0.000 0.286 39 A N 1.252 124.095 122.820 0.037 0.000 2.125 39 A HA -0.127 4.193 4.320 0.001 0.000 0.219 39 A C 1.974 179.555 177.584 -0.004 0.000 1.156 39 A CA 1.474 53.584 52.037 0.121 0.000 0.671 39 A CB -0.448 18.594 19.000 0.071 0.000 0.794 39 A HN 0.288 nan 8.150 nan 0.000 0.459 40 R N 0.054 120.424 120.500 -0.217 0.000 2.241 40 R HA -0.081 4.260 4.340 0.001 0.000 0.224 40 R C 0.828 176.917 176.300 -0.352 0.000 1.101 40 R CA 1.128 56.979 56.100 -0.416 0.000 0.995 40 R CB -0.523 29.206 30.300 -0.953 0.000 0.870 40 R HN 0.681 nan 8.270 nan 0.000 0.463 41 N N 0.141 118.611 118.700 -0.384 0.000 2.666 41 N HA -0.106 4.634 4.740 0.001 0.000 0.194 41 N C 0.721 175.525 175.510 -1.176 0.000 1.220 41 N CA 0.265 52.809 53.050 -0.843 0.000 0.928 41 N CB 0.103 37.778 38.487 -1.353 0.000 0.997 41 N HN 0.382 nan 8.380 nan 0.000 0.447 42 H N -0.486 118.345 119.070 -0.399 0.000 2.657 42 H HA 0.225 4.782 4.556 0.001 0.000 0.262 42 H C 0.975 176.157 175.328 -0.245 0.000 0.965 42 H CA -0.056 55.838 56.048 -0.256 0.000 1.184 42 H CB -0.011 29.673 29.762 -0.131 0.000 1.443 42 H HN 0.084 nan 8.280 nan 0.000 0.462 43 A N 3.925 126.666 122.820 -0.132 0.000 2.577 43 A HA 0.105 4.426 4.320 0.001 0.000 0.233 43 A C -1.782 175.663 177.584 -0.230 0.000 1.076 43 A CA -0.575 51.365 52.037 -0.163 0.000 0.767 43 A CB -0.541 18.344 19.000 -0.193 0.000 1.017 43 A HN 0.093 nan 8.150 nan 0.000 0.511 44 P HA 0.121 nan 4.420 nan 0.000 0.271 44 P C 0.382 177.544 177.300 -0.230 0.000 1.216 44 P CA -0.158 62.790 63.100 -0.253 0.000 0.771 44 P CB 0.339 31.951 31.700 -0.146 0.000 0.864 45 F N 2.542 122.295 119.950 -0.327 0.000 2.041 45 F HA -0.151 4.377 4.527 0.001 0.000 0.296 45 F C 2.269 177.762 175.800 -0.513 0.000 1.147 45 F CA 2.855 60.518 58.000 -0.560 0.000 1.214 45 F CB -1.487 36.688 39.000 -1.375 0.000 0.947 45 F HN 0.628 nan 8.300 nan 0.000 0.511 46 G N -1.969 106.561 108.800 -0.450 0.000 2.789 46 G HA2 0.079 4.040 3.960 0.001 0.000 0.218 46 G HA3 0.079 4.040 3.960 0.001 0.000 0.218 46 G C -0.419 174.375 174.900 -0.175 0.000 0.980 46 G CA -0.246 44.694 45.100 -0.267 0.000 0.848 46 G HN 0.606 nan 8.290 nan 0.000 0.591 47 F N -0.982 118.841 119.950 -0.212 0.000 2.741 47 F HA 0.696 5.223 4.527 0.001 0.000 0.311 47 F C -1.208 174.587 175.800 -0.009 0.000 1.149 47 F CA -1.872 56.064 58.000 -0.106 0.000 0.930 47 F CB 0.735 39.628 39.000 -0.178 0.000 1.312 47 F HN -0.027 nan 8.300 nan 0.000 0.450 48 D N 3.630 124.130 120.400 0.166 0.000 2.365 48 D HA 0.367 5.008 4.640 0.001 0.000 0.237 48 D C -1.510 174.897 176.300 0.179 0.000 1.190 48 D CA -2.361 51.706 54.000 0.111 0.000 0.867 48 D CB 1.207 42.066 40.800 0.099 0.000 1.050 48 D HN 0.287 nan 8.370 nan 0.000 0.491 49 P HA -0.167 nan 4.420 nan 0.000 0.229 49 P C 0.417 177.854 177.300 0.229 0.000 1.150 49 P CA 0.916 64.125 63.100 0.182 0.000 0.765 49 P CB 0.260 32.054 31.700 0.156 0.000 0.783 50 K N -0.472 120.016 120.400 0.148 0.000 2.323 50 K HA 0.030 4.351 4.320 0.001 0.000 0.197 50 K C 1.851 178.503 176.600 0.088 0.000 1.043 50 K CA 0.394 56.734 56.287 0.088 0.000 0.997 50 K CB 0.152 32.682 32.500 0.050 0.000 0.807 50 K HN 0.070 nan 8.250 nan 0.000 0.497 51 E N 0.817 121.088 120.200 0.119 0.000 2.299 51 E HA -0.015 4.335 4.350 0.001 0.000 0.193 51 E C 0.372 177.041 176.600 0.115 0.000 0.998 51 E CA 0.311 56.772 56.400 0.102 0.000 0.851 51 E CB 0.153 29.918 29.700 0.108 0.000 0.795 51 E HN -0.033 nan 8.360 nan 0.000 0.492 52 V N 3.395 123.413 119.914 0.173 0.000 2.599 52 V HA -0.077 4.043 4.120 0.001 0.000 0.300 52 V C 1.211 177.456 176.094 0.252 0.000 1.034 52 V CA 0.592 62.998 62.300 0.178 0.000 1.115 52 V CB 0.806 32.719 31.823 0.149 0.000 0.934 52 V HN 0.095 nan 8.190 nan 0.000 0.485 53 D N 2.947 123.451 120.400 0.173 0.000 2.327 53 D HA 0.357 4.998 4.640 0.001 0.000 0.205 53 D C 0.517 176.962 176.300 0.241 0.000 0.989 53 D CA 1.169 55.262 54.000 0.154 0.000 0.873 53 D CB 1.076 41.927 40.800 0.084 0.000 0.955 53 D HN 0.700 nan 8.370 nan 0.000 0.515 54 A N 0.100 123.087 122.820 0.279 0.000 2.549 54 A HA 0.466 4.786 4.320 0.001 0.000 0.291 54 A C -1.476 176.215 177.584 0.177 0.000 1.034 54 A CA -0.702 51.539 52.037 0.340 0.000 0.655 54 A CB 1.041 20.274 19.000 0.389 0.000 1.299 54 A HN -0.002 nan 8.150 nan 0.000 0.427 55 V N -1.294 118.743 119.914 0.206 0.000 2.789 55 V HA 0.920 5.041 4.120 0.001 0.000 0.311 55 V C -1.266 174.986 176.094 0.263 0.000 1.073 55 V CA -0.884 61.482 62.300 0.109 0.000 0.921 55 V CB 1.373 33.165 31.823 -0.052 0.000 1.009 55 V HN 0.879 nan 8.190 nan 0.000 0.426 56 L N 5.024 126.383 121.223 0.227 0.000 2.341 56 L HA 0.689 5.030 4.340 0.001 0.000 0.278 56 L C -0.645 176.421 176.870 0.326 0.000 1.005 56 L CA -0.472 54.565 54.840 0.327 0.000 0.818 56 L CB 1.725 43.921 42.059 0.228 0.000 1.259 56 L HN 0.541 nan 8.230 nan 0.000 0.418 57 L N 2.416 123.841 121.223 0.337 0.000 2.313 57 L HA 0.426 4.766 4.340 0.001 0.000 0.283 57 L C 1.357 178.299 176.870 0.120 0.000 1.013 57 L CA -0.127 54.836 54.840 0.206 0.000 0.816 57 L CB 1.403 43.525 42.059 0.105 0.000 1.236 57 L HN 0.828 nan 8.230 nan 0.000 0.419 58 T N -0.999 113.634 114.554 0.133 0.000 2.942 58 T HA 0.041 4.391 4.350 0.001 0.000 0.265 58 T C 0.564 175.251 174.700 -0.022 0.000 1.062 58 T CA 1.028 63.129 62.100 0.001 0.000 1.139 58 T CB -0.078 68.809 68.868 0.031 0.000 0.883 58 T HN 0.706 nan 8.240 nan 0.000 0.468 59 H N -2.337 116.605 119.070 -0.214 0.000 2.917 59 H HA 0.662 5.219 4.556 0.001 0.000 0.299 59 H C 0.862 176.109 175.328 -0.135 0.000 1.418 59 H CA -0.545 55.358 56.048 -0.242 0.000 1.138 59 H CB 0.998 30.572 29.762 -0.313 0.000 1.830 59 H HN 0.013 nan 8.280 nan 0.000 0.514 60 A N -0.149 122.579 122.820 -0.153 0.000 1.968 60 A HA -0.033 4.287 4.320 0.001 0.000 0.217 60 A C 0.626 178.179 177.584 -0.051 0.000 1.169 60 A CA 0.473 52.446 52.037 -0.108 0.000 0.638 60 A CB -1.487 17.480 19.000 -0.055 0.000 0.812 60 A HN 0.704 nan 8.150 nan 0.000 0.446 61 H N -0.986 117.967 119.070 -0.196 0.000 3.201 61 H HA -0.071 4.486 4.556 0.001 0.000 0.301 61 H C 1.284 176.588 175.328 -0.040 0.000 0.948 61 H CA 0.122 56.117 56.048 -0.088 0.000 1.369 61 H CB 0.513 30.270 29.762 -0.010 0.000 1.293 61 H HN 0.357 nan 8.280 nan 0.000 0.575 62 L N 3.491 124.782 121.223 0.114 0.000 2.189 62 L HA -0.198 4.143 4.340 0.001 0.000 0.214 62 L C 1.926 178.831 176.870 0.058 0.000 1.097 62 L CA 1.979 56.865 54.840 0.077 0.000 0.764 62 L CB -0.265 41.842 42.059 0.080 0.000 0.900 62 L HN 0.768 nan 8.230 nan 0.000 0.436 63 D N -3.001 117.439 120.400 0.067 0.000 2.325 63 D HA -0.120 4.521 4.640 0.001 0.000 0.234 63 D C 0.937 177.105 176.300 -0.221 0.000 1.122 63 D CA 0.371 54.342 54.000 -0.049 0.000 0.850 63 D CB -0.194 40.582 40.800 -0.040 0.000 0.921 63 D HN 0.564 nan 8.370 nan 0.000 0.513 64 H N -0.891 118.149 119.070 -0.049 0.000 3.643 64 H HA 0.169 4.726 4.556 0.001 0.000 0.256 64 H C 1.009 176.304 175.328 -0.057 0.000 1.107 64 H CA 0.236 56.247 56.048 -0.062 0.000 1.175 64 H CB 1.781 31.415 29.762 -0.213 0.000 1.519 64 H HN 0.052 nan 8.280 nan 0.000 0.565 65 V N -0.403 119.534 119.914 0.037 0.000 3.382 65 V HA 0.156 4.277 4.120 0.001 0.000 0.296 65 V C 2.216 178.302 176.094 -0.012 0.000 1.529 65 V CA 0.838 63.145 62.300 0.012 0.000 1.048 65 V CB 0.964 32.786 31.823 -0.002 0.000 0.878 65 V HN 0.351 nan 8.190 nan 0.000 0.442 66 G N 0.823 109.625 108.800 0.003 0.000 2.462 66 G HA2 -0.191 3.770 3.960 0.001 0.000 0.220 66 G HA3 -0.191 3.770 3.960 0.001 0.000 0.220 66 G C 1.558 176.435 174.900 -0.039 0.000 1.121 66 G CA 0.613 45.720 45.100 0.012 0.000 0.758 66 G HN 0.444 nan 8.290 nan 0.000 0.559 67 R N -0.837 119.675 120.500 0.020 0.000 2.312 67 R HA 0.243 4.583 4.340 0.001 0.000 0.205 67 R C 2.114 178.455 176.300 0.068 0.000 0.904 67 R CA -0.293 55.868 56.100 0.100 0.000 1.052 67 R CB -0.125 30.299 30.300 0.206 0.000 1.014 67 R HN 0.330 nan 8.270 nan 0.000 0.503 68 L N 3.049 124.273 121.223 0.002 0.000 1.997 68 L HA -0.142 4.199 4.340 0.001 0.000 0.216 68 L C -0.947 175.979 176.870 0.095 0.000 1.074 68 L CA 2.210 57.084 54.840 0.057 0.000 0.763 68 L CB -0.907 41.166 42.059 0.024 0.000 0.890 68 L HN 0.031 nan 8.230 nan 0.000 0.434 69 P HA -0.265 nan 4.420 nan 0.000 0.216 69 P C 1.377 178.684 177.300 0.011 0.000 1.150 69 P CA 1.904 64.897 63.100 -0.177 0.000 0.837 69 P CB -0.193 31.221 31.700 -0.477 0.000 0.786 70 K N -0.295 120.084 120.400 -0.035 0.000 2.211 70 K HA -0.105 4.216 4.320 0.001 0.000 0.203 70 K C 2.218 179.049 176.600 0.385 0.000 1.050 70 K CA 0.494 56.910 56.287 0.215 0.000 0.945 70 K CB -0.562 32.100 32.500 0.270 0.000 0.732 70 K HN -0.007 nan 8.250 nan 0.000 0.451 71 L N 0.407 121.923 121.223 0.489 0.000 2.046 71 L HA -0.094 4.246 4.340 0.001 0.000 0.208 71 L C 1.779 178.870 176.870 0.367 0.000 1.077 71 L CA 1.522 56.634 54.840 0.453 0.000 0.747 71 L CB -0.299 41.843 42.059 0.140 0.000 0.896 71 L HN 0.111 nan 8.230 nan 0.000 0.432 72 F N -0.324 119.759 119.950 0.222 0.000 2.234 72 F HA -0.070 4.458 4.527 0.001 0.000 0.299 72 F C 1.987 177.887 175.800 0.166 0.000 1.087 72 F CA 0.873 59.000 58.000 0.212 0.000 1.340 72 F CB -0.523 38.560 39.000 0.139 0.000 1.031 72 F HN -0.015 nan 8.300 nan 0.000 0.500 73 R N 0.807 121.515 120.500 0.346 0.000 4.902 73 R HA 0.042 4.383 4.340 0.001 0.000 0.201 73 R C -0.059 176.354 176.300 0.189 0.000 2.020 73 R CA 0.556 56.798 56.100 0.237 0.000 1.674 73 R CB -0.680 29.761 30.300 0.235 0.000 1.349 73 R HN 0.350 nan 8.270 nan 0.000 0.813 74 E N -1.899 118.410 120.200 0.182 0.000 2.195 74 E HA 0.073 4.424 4.350 0.001 0.000 0.153 74 E C 0.304 176.977 176.600 0.121 0.000 0.856 74 E CA 0.474 56.959 56.400 0.143 0.000 1.326 74 E CB 0.896 30.702 29.700 0.178 0.000 1.891 74 E HN 0.533 nan 8.360 nan 0.000 0.660 75 G N 0.692 109.558 108.800 0.109 0.000 2.380 75 G HA2 -0.276 3.684 3.960 0.001 0.000 0.197 75 G HA3 -0.276 3.684 3.960 0.001 0.000 0.197 75 G C -0.385 174.517 174.900 0.004 0.000 1.001 75 G CA -0.178 44.958 45.100 0.061 0.000 0.668 75 G HN 0.211 nan 8.290 nan 0.000 0.483 76 Y N 2.074 122.298 120.300 -0.127 0.000 2.544 76 Y HA 0.553 5.104 4.550 0.001 0.000 0.330 76 Y C 1.241 176.875 175.900 -0.443 0.000 1.136 76 Y CA 0.392 58.321 58.100 -0.285 0.000 1.417 76 Y CB 0.694 38.925 38.460 -0.383 0.000 1.229 76 Y HN 0.063 nan 8.280 nan 0.000 0.532 77 R N 3.545 123.487 120.500 -0.930 0.000 2.566 77 R HA 0.272 4.613 4.340 0.001 0.000 0.388 77 R C 0.634 176.476 176.300 -0.764 0.000 0.989 77 R CA 0.147 55.958 56.100 -0.482 0.000 1.164 77 R CB 0.507 30.723 30.300 -0.139 0.000 1.459 77 R HN 0.801 nan 8.270 nan 0.000 0.553 78 G N 1.407 109.311 108.800 -1.493 0.000 2.570 78 G HA2 0.288 4.249 3.960 0.001 0.000 0.276 78 G HA3 0.288 4.249 3.960 0.001 0.000 0.276 78 G C -2.235 172.481 174.900 -0.307 0.000 1.346 78 G CA -0.925 43.701 45.100 -0.790 0.000 1.034 78 G HN -0.055 nan 8.290 nan 0.000 0.512 79 P HA 0.425 nan 4.420 nan 0.000 0.278 79 P C -1.015 176.335 177.300 0.083 0.000 1.266 79 P CA -0.426 62.629 63.100 -0.074 0.000 0.807 79 P CB 1.799 33.350 31.700 -0.249 0.000 1.094 80 V N 1.010 120.854 119.914 -0.117 0.000 2.623 80 V HA 0.323 4.443 4.120 0.001 0.000 0.304 80 V C -0.877 175.088 176.094 -0.214 0.000 1.054 80 V CA -0.451 61.854 62.300 0.008 0.000 0.882 80 V CB 1.224 33.166 31.823 0.199 0.000 1.002 80 V HN 0.401 nan 8.190 nan 0.000 0.424 81 Y N 2.622 123.017 120.300 0.160 0.000 2.377 81 Y HA 0.882 5.433 4.550 0.001 0.000 0.339 81 Y C 0.375 176.432 175.900 0.261 0.000 1.011 81 Y CA -0.442 57.762 58.100 0.173 0.000 1.093 81 Y CB 2.214 40.743 38.460 0.115 0.000 1.201 81 Y HN 0.866 nan 8.280 nan 0.000 0.455 82 A N 0.550 123.586 122.820 0.360 0.000 2.597 82 A HA 0.592 4.913 4.320 0.001 0.000 0.292 82 A C -0.456 177.135 177.584 0.011 0.000 1.057 82 A CA -0.799 51.327 52.037 0.149 0.000 0.674 82 A CB 0.280 19.288 19.000 0.014 0.000 1.278 82 A HN 0.715 nan 8.150 nan 0.000 0.416 83 T N -0.756 113.639 114.554 -0.266 0.000 2.856 83 T HA 0.327 4.677 4.350 0.001 0.000 0.306 83 T C 1.202 175.782 174.700 -0.201 0.000 1.062 83 T CA 0.347 62.291 62.100 -0.261 0.000 1.083 83 T CB 0.647 69.221 68.868 -0.491 0.000 0.984 83 T HN 0.870 nan 8.240 nan 0.000 0.542 84 R N 1.845 122.287 120.500 -0.097 0.000 2.094 84 R HA -0.116 4.225 4.340 0.001 0.000 0.239 84 R C 2.585 178.734 176.300 -0.252 0.000 1.137 84 R CA 2.291 58.341 56.100 -0.083 0.000 0.943 84 R CB -1.486 28.848 30.300 0.056 0.000 0.850 84 R HN 0.890 nan 8.270 nan 0.000 0.433 85 A N -0.857 121.593 122.820 -0.615 0.000 1.869 85 A HA -0.242 4.079 4.320 0.001 0.000 0.218 85 A C 2.352 179.672 177.584 -0.442 0.000 1.203 85 A CA 2.568 54.132 52.037 -0.788 0.000 0.638 85 A CB -1.453 16.617 19.000 -1.550 0.000 0.831 85 A HN 0.511 nan 8.150 nan 0.000 0.450 86 T N -0.454 113.854 114.554 -0.409 0.000 2.803 86 T HA -0.113 4.238 4.350 0.001 0.000 0.269 86 T C 1.814 176.415 174.700 -0.164 0.000 1.052 86 T CA 1.480 63.427 62.100 -0.254 0.000 1.136 86 T CB -0.403 68.321 68.868 -0.240 0.000 0.864 86 T HN 0.183 nan 8.240 nan 0.000 0.467 87 V N 1.157 120.980 119.914 -0.153 0.000 2.427 87 V HA -0.094 4.026 4.120 0.001 0.000 0.248 87 V C 2.351 178.398 176.094 -0.078 0.000 1.051 87 V CA 1.404 63.649 62.300 -0.090 0.000 1.048 87 V CB -0.547 31.236 31.823 -0.065 0.000 0.666 87 V HN 0.447 nan 8.190 nan 0.000 0.456 88 L N -1.028 120.139 121.223 -0.093 0.000 2.022 88 L HA -0.079 4.262 4.340 0.001 0.000 0.204 88 L C 2.441 179.284 176.870 -0.045 0.000 1.076 88 L CA 1.312 56.117 54.840 -0.058 0.000 0.749 88 L CB -0.737 41.291 42.059 -0.052 0.000 0.903 88 L HN 0.224 nan 8.230 nan 0.000 0.439 89 L N -0.385 120.803 121.223 -0.057 0.000 2.054 89 L HA -0.360 3.980 4.340 0.001 0.000 0.220 89 L C 2.776 179.635 176.870 -0.018 0.000 1.081 89 L CA 1.725 56.550 54.840 -0.024 0.000 0.780 89 L CB -0.477 41.557 42.059 -0.042 0.000 0.893 89 L HN 0.416 nan 8.230 nan 0.000 0.438 90 M N -0.502 119.075 119.600 -0.039 0.000 2.195 90 M HA -0.289 4.192 4.480 0.001 0.000 0.260 90 M C 2.179 178.468 176.300 -0.017 0.000 1.066 90 M CA 1.909 57.191 55.300 -0.029 0.000 1.089 90 M CB -0.144 32.428 32.600 -0.045 0.000 1.377 90 M HN 0.287 nan 8.290 nan 0.000 0.411 91 E N 0.366 120.553 120.200 -0.021 0.000 2.072 91 E HA -0.170 4.181 4.350 0.001 0.000 0.190 91 E C 1.841 178.439 176.600 -0.002 0.000 0.982 91 E CA 1.213 57.603 56.400 -0.017 0.000 0.803 91 E CB -0.098 29.589 29.700 -0.021 0.000 0.755 91 E HN 0.622 nan 8.360 nan 0.000 0.453 92 I N 0.567 121.138 120.570 0.003 0.000 2.099 92 I HA -0.281 3.889 4.170 0.001 0.000 0.239 92 I C 2.453 178.582 176.117 0.020 0.000 1.066 92 I CA 0.900 62.206 61.300 0.010 0.000 1.324 92 I CB -0.335 37.673 38.000 0.013 0.000 1.037 92 I HN 0.056 nan 8.210 nan 0.000 0.401 93 V N 0.645 120.576 119.914 0.028 0.000 2.380 93 V HA -0.288 3.833 4.120 0.001 0.000 0.251 93 V C 2.388 178.512 176.094 0.050 0.000 1.063 93 V CA 1.633 63.960 62.300 0.045 0.000 1.055 93 V CB -0.496 31.358 31.823 0.053 0.000 0.657 93 V HN 0.300 nan 8.190 nan 0.000 0.455 94 L N -0.250 120.996 121.223 0.040 0.000 2.023 94 L HA -0.075 4.265 4.340 0.001 0.000 0.205 94 L C 2.598 179.507 176.870 0.065 0.000 1.073 94 L CA 1.777 56.654 54.840 0.062 0.000 0.745 94 L CB -0.942 41.136 42.059 0.031 0.000 0.900 94 L HN 0.314 nan 8.230 nan 0.000 0.435 95 E N -0.351 119.866 120.200 0.029 0.000 2.070 95 E HA -0.293 4.058 4.350 0.001 0.000 0.197 95 E C 1.850 178.451 176.600 0.002 0.000 1.004 95 E CA 1.537 57.942 56.400 0.009 0.000 0.805 95 E CB -0.666 29.032 29.700 -0.002 0.000 0.744 95 E HN 0.600 nan 8.360 nan 0.000 0.451 96 D N 0.983 121.390 120.400 0.012 0.000 2.103 96 D HA -0.200 4.441 4.640 0.001 0.000 0.190 96 D C 1.923 178.229 176.300 0.010 0.000 0.997 96 D CA 1.974 55.979 54.000 0.010 0.000 0.833 96 D CB -0.035 40.779 40.800 0.023 0.000 0.961 96 D HN 0.063 nan 8.370 nan 0.000 0.447 97 A N 1.065 123.909 122.820 0.040 0.000 2.009 97 A HA -0.200 4.121 4.320 0.001 0.000 0.222 97 A C 2.675 180.233 177.584 -0.042 0.000 1.175 97 A CA 1.365 53.432 52.037 0.050 0.000 0.651 97 A CB -1.003 18.082 19.000 0.142 0.000 0.815 97 A HN 0.464 nan 8.150 nan 0.000 0.459 98 L N -1.279 119.897 121.223 -0.078 0.000 2.079 98 L HA -0.244 4.097 4.340 0.001 0.000 0.210 98 L C 2.646 179.430 176.870 -0.143 0.000 1.081 98 L CA 1.899 56.625 54.840 -0.191 0.000 0.752 98 L CB -0.311 41.662 42.059 -0.143 0.000 0.896 98 L HN 0.446 nan 8.230 nan 0.000 0.433 99 K N -0.877 119.477 120.400 -0.077 0.000 2.020 99 K HA -0.065 4.255 4.320 0.001 0.000 0.206 99 K C 1.962 178.539 176.600 -0.040 0.000 1.038 99 K CA 1.004 57.257 56.287 -0.056 0.000 0.947 99 K CB -0.319 32.159 32.500 -0.037 0.000 0.744 99 K HN 0.011 nan 8.250 nan 0.000 0.442 100 V N 1.904 121.809 119.914 -0.016 0.000 2.370 100 V HA -0.237 3.884 4.120 0.001 0.000 0.252 100 V C 1.591 177.689 176.094 0.007 0.000 1.068 100 V CA 1.145 63.450 62.300 0.008 0.000 1.061 100 V CB -0.499 31.346 31.823 0.036 0.000 0.656 100 V HN 0.366 nan 8.190 nan 0.000 0.455 101 M N 0.832 120.419 119.600 -0.022 0.000 2.198 101 M HA 0.011 4.492 4.480 0.001 0.000 0.292 101 M C 0.997 177.274 176.300 -0.037 0.000 1.150 101 M CA 1.306 56.586 55.300 -0.034 0.000 1.168 101 M CB 0.186 32.683 32.600 -0.172 0.000 1.388 101 M HN 0.441 nan 8.290 nan 0.000 0.447 102 D N -0.836 119.556 120.400 -0.013 0.000 2.001 102 D HA 0.036 4.677 4.640 0.001 0.000 0.348 102 D C -0.365 175.934 176.300 -0.001 0.000 1.074 102 D CA -0.030 53.965 54.000 -0.009 0.000 0.928 102 D CB 0.091 40.902 40.800 0.018 0.000 1.823 102 D HN 0.506 nan 8.370 nan 0.000 0.540 103 E N 2.590 122.821 120.200 0.052 0.000 3.012 103 E HA 0.227 4.578 4.350 0.001 0.000 0.228 103 E C -2.336 174.360 176.600 0.161 0.000 1.184 103 E CA -1.489 54.967 56.400 0.094 0.000 1.407 103 E CB 1.239 31.015 29.700 0.126 0.000 1.438 103 E HN 0.288 nan 8.360 nan 0.000 0.435 104 P HA -0.095 nan 4.420 nan 0.000 0.257 104 P C 0.354 177.600 177.300 -0.090 0.000 1.189 104 P CA 0.119 63.046 63.100 -0.289 0.000 0.780 104 P CB -0.300 31.126 31.700 -0.458 0.000 0.772 105 F N 2.588 122.640 119.950 0.170 0.000 2.795 105 F HA 0.261 4.789 4.527 0.001 0.000 0.303 105 F C 0.318 176.343 175.800 0.375 0.000 1.186 105 F CA -0.902 57.265 58.000 0.278 0.000 1.415 105 F CB -0.915 38.138 39.000 0.087 0.000 1.106 105 F HN 0.068 nan 8.300 nan 0.000 0.558 106 F N -1.520 118.338 119.950 -0.154 0.000 2.708 106 F HA 0.814 5.342 4.527 0.001 0.000 0.309 106 F C -0.311 175.420 175.800 -0.114 0.000 1.120 106 F CA -2.319 55.625 58.000 -0.092 0.000 0.978 106 F CB 0.492 39.431 39.000 -0.102 0.000 1.283 106 F HN -0.011 nan 8.300 nan 0.000 0.439 107 G N 0.351 109.120 108.800 -0.052 0.000 2.552 107 G HA2 0.640 4.601 3.960 0.001 0.000 0.318 107 G HA3 0.640 4.601 3.960 0.001 0.000 0.318 107 G C -2.306 172.557 174.900 -0.061 0.000 1.240 107 G CA -1.918 43.102 45.100 -0.133 0.000 1.002 107 G HN 0.533 nan 8.290 nan 0.000 0.493 108 P HA -0.072 nan 4.420 nan 0.000 0.230 108 P C 1.136 178.432 177.300 -0.007 0.000 1.158 108 P CA 0.972 64.050 63.100 -0.035 0.000 0.769 108 P CB 0.318 31.987 31.700 -0.052 0.000 0.807 109 E N 0.218 120.421 120.200 0.005 0.000 2.299 109 E HA -0.112 4.238 4.350 0.001 0.000 0.193 109 E C 0.849 177.459 176.600 0.018 0.000 0.998 109 E CA 0.753 57.158 56.400 0.008 0.000 0.851 109 E CB -0.607 29.103 29.700 0.017 0.000 0.795 109 E HN 0.209 nan 8.360 nan 0.000 0.492 110 D N 1.415 121.849 120.400 0.057 0.000 2.149 110 D HA -0.042 4.599 4.640 0.001 0.000 0.206 110 D C 2.227 178.506 176.300 -0.035 0.000 0.967 110 D CA 0.914 54.955 54.000 0.069 0.000 0.848 110 D CB -0.077 40.835 40.800 0.187 0.000 0.998 110 D HN 0.063 nan 8.370 nan 0.000 0.474 111 V N 1.538 121.477 119.914 0.042 0.000 2.568 111 V HA -0.207 3.914 4.120 0.001 0.000 0.253 111 V C 2.324 178.358 176.094 -0.101 0.000 1.072 111 V CA 1.577 63.872 62.300 -0.008 0.000 1.084 111 V CB -0.421 31.450 31.823 0.081 0.000 0.676 111 V HN 0.225 nan 8.190 nan 0.000 0.469 112 E N -0.244 119.902 120.200 -0.089 0.000 2.190 112 E HA -0.169 4.181 4.350 0.001 0.000 0.191 112 E C 2.253 178.750 176.600 -0.172 0.000 0.978 112 E CA 0.679 57.017 56.400 -0.103 0.000 0.839 112 E CB 0.143 29.808 29.700 -0.059 0.000 0.787 112 E HN 0.721 nan 8.360 nan 0.000 0.473 113 E N 0.012 120.086 120.200 -0.210 0.000 2.158 113 E HA -0.113 4.237 4.350 0.001 0.000 0.191 113 E C 1.843 178.042 176.600 -0.669 0.000 0.982 113 E CA 0.709 56.931 56.400 -0.298 0.000 0.823 113 E CB 0.042 29.667 29.700 -0.125 0.000 0.766 113 E HN 0.249 nan 8.360 nan 0.000 0.468 114 A N 1.482 123.727 122.820 -0.958 0.000 1.845 114 A HA -0.159 4.162 4.320 0.001 0.000 0.215 114 A C 2.178 179.396 177.584 -0.610 0.000 1.195 114 A CA 1.177 52.310 52.037 -1.506 0.000 0.616 114 A CB -0.905 17.420 19.000 -1.124 0.000 0.832 114 A HN 0.311 nan 8.150 nan 0.000 0.443 115 L N -0.372 120.635 121.223 -0.359 0.000 2.270 115 L HA -0.215 4.125 4.340 0.001 0.000 0.217 115 L C 2.628 179.423 176.870 -0.125 0.000 1.107 115 L CA 0.973 55.705 54.840 -0.180 0.000 0.772 115 L CB -0.840 41.144 42.059 -0.126 0.000 0.902 115 L HN 0.552 nan 8.230 nan 0.000 0.439 116 G N -1.417 107.279 108.800 -0.173 0.000 2.403 116 G HA2 -0.200 3.761 3.960 0.001 0.000 0.216 116 G HA3 -0.200 3.761 3.960 0.001 0.000 0.216 116 G C 1.222 176.170 174.900 0.081 0.000 1.154 116 G CA 0.339 45.397 45.100 -0.070 0.000 0.784 116 G HN 0.517 nan 8.290 nan 0.000 0.538 117 H N -0.380 118.705 119.070 0.026 0.000 2.551 117 H HA 0.246 4.803 4.556 0.001 0.000 0.266 117 H C 0.486 175.818 175.328 0.006 0.000 0.977 117 H CA -0.751 55.345 56.048 0.079 0.000 1.163 117 H CB 0.173 30.110 29.762 0.290 0.000 1.381 117 H HN 0.142 nan 8.280 nan 0.000 0.581 118 L N 3.010 124.287 121.223 0.090 0.000 2.654 118 L HA 0.008 4.349 4.340 0.001 0.000 0.271 118 L C 0.117 176.977 176.870 -0.017 0.000 1.169 118 L CA 0.677 55.528 54.840 0.017 0.000 0.947 118 L CB 0.018 42.073 42.059 -0.007 0.000 1.232 118 L HN 0.198 nan 8.230 nan 0.000 0.486 119 R N 5.614 126.062 120.500 -0.087 0.000 2.445 119 R HA 0.430 4.770 4.340 0.001 0.000 0.308 119 R C -2.323 173.989 176.300 0.021 0.000 0.961 119 R CA -1.921 54.134 56.100 -0.075 0.000 0.862 119 R CB 1.511 31.690 30.300 -0.202 0.000 1.144 119 R HN 0.357 nan 8.270 nan 0.000 0.447 120 P HA 0.042 nan 4.420 nan 0.000 0.269 120 P C -0.953 176.453 177.300 0.175 0.000 1.215 120 P CA -0.242 62.914 63.100 0.093 0.000 0.780 120 P CB 0.894 32.626 31.700 0.054 0.000 0.898 121 L N 1.428 122.764 121.223 0.189 0.000 2.737 121 L HA 0.325 4.665 4.340 0.001 0.000 0.261 121 L C -0.582 176.402 176.870 0.191 0.000 0.949 121 L CA -0.235 54.734 54.840 0.214 0.000 0.952 121 L CB 1.355 43.600 42.059 0.310 0.000 1.337 121 L HN 0.193 nan 8.230 nan 0.000 0.430 122 E N 2.343 122.578 120.200 0.058 0.000 2.330 122 E HA 0.318 4.669 4.350 0.001 0.000 0.256 122 E C -0.994 175.598 176.600 -0.015 0.000 1.146 122 E CA -0.524 55.833 56.400 -0.071 0.000 0.945 122 E CB 0.469 30.118 29.700 -0.086 0.000 1.182 122 E HN 0.408 nan 8.360 nan 0.000 0.480 123 Y N 0.016 120.327 120.300 0.018 0.000 2.544 123 Y HA 0.245 4.796 4.550 0.001 0.000 0.330 123 Y C 1.670 177.503 175.900 -0.112 0.000 1.136 123 Y CA 1.188 59.253 58.100 -0.058 0.000 1.417 123 Y CB 0.067 38.468 38.460 -0.099 0.000 1.229 123 Y HN 0.759 nan 8.280 nan 0.000 0.532 124 G N 1.834 110.599 108.800 -0.058 0.000 2.336 124 G HA2 -0.284 3.677 3.960 0.001 0.000 0.233 124 G HA3 -0.284 3.677 3.960 0.001 0.000 0.233 124 G C 0.230 174.987 174.900 -0.238 0.000 1.053 124 G CA -0.043 44.967 45.100 -0.150 0.000 0.625 124 G HN 0.564 nan 8.290 nan 0.000 0.511 125 E N 0.259 120.368 120.200 -0.151 0.000 2.417 125 E HA 0.305 4.656 4.350 0.001 0.000 0.261 125 E C -0.424 176.035 176.600 -0.234 0.000 1.000 125 E CA -0.340 56.004 56.400 -0.093 0.000 0.919 125 E CB 0.271 29.950 29.700 -0.035 0.000 0.955 125 E HN 0.408 nan 8.360 nan 0.000 0.455 126 W N 4.021 125.281 121.300 -0.067 0.000 2.417 126 W HA 0.348 5.009 4.660 0.001 0.000 0.317 126 W C -0.432 176.012 176.519 -0.125 0.000 1.121 126 W CA -0.556 56.728 57.345 -0.102 0.000 1.208 126 W CB 0.659 30.074 29.460 -0.074 0.000 1.253 126 W HN 0.337 nan 8.180 nan 0.000 0.533 127 L N 4.533 125.776 121.223 0.034 0.000 2.334 127 L HA 0.626 4.967 4.340 0.001 0.000 0.276 127 L C -0.570 176.284 176.870 -0.026 0.000 1.014 127 L CA -0.996 53.790 54.840 -0.091 0.000 0.815 127 L CB 0.985 42.829 42.059 -0.359 0.000 1.268 127 L HN 0.338 nan 8.230 nan 0.000 0.428 128 R N 6.235 126.716 120.500 -0.032 0.000 2.534 128 R HA 0.624 4.965 4.340 0.001 0.000 0.301 128 R C -1.566 174.716 176.300 -0.031 0.000 0.961 128 R CA -0.704 55.387 56.100 -0.016 0.000 0.871 128 R CB 1.599 31.897 30.300 -0.004 0.000 1.170 128 R HN 0.626 nan 8.270 nan 0.000 0.446 129 L N 2.435 123.642 121.223 -0.027 0.000 2.492 129 L HA 0.337 4.678 4.340 0.001 0.000 0.258 129 L C 0.778 177.643 176.870 -0.007 0.000 1.028 129 L CA -0.439 54.392 54.840 -0.015 0.000 0.900 129 L CB 1.551 43.597 42.059 -0.021 0.000 1.191 129 L HN 1.039 nan 8.230 nan 0.000 0.459 130 G N 2.665 111.463 108.800 -0.004 0.000 2.543 130 G HA2 -0.339 3.622 3.960 0.001 0.000 0.286 130 G HA3 -0.339 3.622 3.960 0.001 0.000 0.286 130 G C 0.561 175.455 174.900 -0.010 0.000 1.153 130 G CA 0.490 45.587 45.100 -0.005 0.000 0.968 130 G HN 0.780 nan 8.290 nan 0.000 0.544 131 A N -0.611 122.203 122.820 -0.010 0.000 2.423 131 A HA 0.706 5.026 4.320 0.001 0.000 0.246 131 A C 0.544 178.120 177.584 -0.014 0.000 1.278 131 A CA 1.208 53.236 52.037 -0.015 0.000 0.903 131 A CB 0.057 19.049 19.000 -0.014 0.000 0.997 131 A HN 1.635 nan 8.150 nan 0.000 0.510 132 L N -0.177 121.041 121.223 -0.009 0.000 2.331 132 L HA 0.741 5.081 4.340 0.001 0.000 0.275 132 L C -0.553 176.322 176.870 0.010 0.000 1.022 132 L CA -0.063 54.777 54.840 -0.000 0.000 0.812 132 L CB 2.078 44.135 42.059 -0.003 0.000 1.257 132 L HN -0.021 nan 8.230 nan 0.000 0.435 133 S N 4.643 120.370 115.700 0.046 0.000 2.557 133 S HA 0.794 5.265 4.470 0.001 0.000 0.291 133 S C -0.932 173.788 174.600 0.201 0.000 1.116 133 S CA -0.518 57.757 58.200 0.125 0.000 0.992 133 S CB 1.289 64.552 63.200 0.104 0.000 1.028 133 S HN 0.539 nan 8.310 nan 0.000 0.484 134 L N 1.946 123.250 121.223 0.135 0.000 2.354 134 L HA 0.989 5.329 4.340 0.001 0.000 0.264 134 L C -0.467 176.202 176.870 -0.335 0.000 1.008 134 L CA -0.757 54.037 54.840 -0.077 0.000 0.819 134 L CB 2.049 43.980 42.059 -0.212 0.000 1.339 134 L HN 0.787 nan 8.230 nan 0.000 0.420 135 A N 1.286 123.738 122.820 -0.614 0.000 2.555 135 A HA 0.712 5.032 4.320 0.001 0.000 0.297 135 A C -1.460 175.746 177.584 -0.630 0.000 1.060 135 A CA -0.494 51.005 52.037 -0.897 0.000 0.710 135 A CB 0.875 18.805 19.000 -1.783 0.000 1.282 135 A HN 0.345 nan 8.150 nan 0.000 0.399 136 F N 0.977 120.708 119.950 -0.366 0.000 2.406 136 F HA 0.605 5.133 4.527 0.001 0.000 0.327 136 F C 1.275 176.819 175.800 -0.427 0.000 1.153 136 F CA 0.476 58.304 58.000 -0.287 0.000 1.218 136 F CB 1.484 40.416 39.000 -0.113 0.000 1.215 136 F HN 0.757 nan 8.300 nan 0.000 0.570 137 G N 0.370 108.819 108.800 -0.584 0.000 2.574 137 G HA2 0.451 4.411 3.960 0.001 0.000 0.299 137 G HA3 0.451 4.411 3.960 0.001 0.000 0.299 137 G C -1.673 172.607 174.900 -1.033 0.000 1.298 137 G CA -0.777 43.598 45.100 -1.209 0.000 0.952 137 G HN 0.428 nan 8.290 nan 0.000 0.477 138 Q N 0.425 119.778 119.800 -0.744 0.000 2.276 138 Q HA 0.497 4.838 4.340 0.001 0.000 0.267 138 Q C 0.888 176.835 176.000 -0.087 0.000 1.135 138 Q CA 0.653 56.066 55.803 -0.650 0.000 0.910 138 Q CB 1.005 29.422 28.738 -0.536 0.000 1.271 138 Q HN 0.603 nan 8.270 nan 0.000 0.417 139 A N 3.664 126.429 122.820 -0.092 0.000 2.095 139 A HA 0.342 4.663 4.320 0.001 0.000 0.212 139 A C 1.366 178.885 177.584 -0.108 0.000 1.162 139 A CA 0.472 52.513 52.037 0.007 0.000 0.753 139 A CB -0.524 18.430 19.000 -0.076 0.000 0.840 139 A HN 1.273 nan 8.150 nan 0.000 0.468 140 G N -0.686 108.041 108.800 -0.122 0.000 2.356 140 G HA2 -0.345 3.616 3.960 0.001 0.000 0.296 140 G HA3 -0.345 3.616 3.960 0.001 0.000 0.296 140 G C 0.448 175.297 174.900 -0.086 0.000 1.022 140 G CA 1.286 46.324 45.100 -0.104 0.000 0.961 140 G HN 0.897 nan 8.290 nan 0.000 0.510 141 H N -1.048 117.872 119.070 -0.250 0.000 2.695 141 H HA 0.627 5.184 4.556 0.001 0.000 0.267 141 H C 1.030 176.212 175.328 -0.243 0.000 0.973 141 H CA 0.979 56.861 56.048 -0.277 0.000 1.223 141 H CB 0.377 29.869 29.762 -0.450 0.000 1.442 141 H HN 0.397 nan 8.280 nan 0.000 0.478 142 L N -0.085 120.927 121.223 -0.351 0.000 2.491 142 L HA 0.414 4.754 4.340 0.001 0.000 0.254 142 L C -2.548 174.162 176.870 -0.267 0.000 1.048 142 L CA -2.476 52.163 54.840 -0.334 0.000 0.855 142 L CB 2.688 44.515 42.059 -0.387 0.000 1.466 142 L HN -0.054 nan 8.230 nan 0.000 0.409 143 P HA 0.160 nan 4.420 nan 0.000 0.271 143 P C 0.434 177.443 177.300 -0.486 0.000 1.233 143 P CA 0.811 63.623 63.100 -0.480 0.000 0.764 143 P CB 0.613 31.911 31.700 -0.669 0.000 0.825 144 G N 2.343 110.902 108.800 -0.401 0.000 2.176 144 G HA2 -0.243 3.718 3.960 0.001 0.000 0.253 144 G HA3 -0.243 3.718 3.960 0.001 0.000 0.253 144 G C 0.346 175.102 174.900 -0.240 0.000 0.979 144 G CA 0.158 44.995 45.100 -0.439 0.000 0.641 144 G HN 0.736 nan 8.290 nan 0.000 0.530 145 S N -0.082 115.532 115.700 -0.142 0.000 2.549 145 S HA 0.760 5.231 4.470 0.001 0.000 0.283 145 S C 0.307 174.857 174.600 -0.082 0.000 1.320 145 S CA 0.929 59.022 58.200 -0.178 0.000 1.058 145 S CB 1.847 64.894 63.200 -0.255 0.000 0.882 145 S HN 2.028 nan 8.310 nan 0.000 0.498 146 A N 2.774 125.483 122.820 -0.185 0.000 2.556 146 A HA 0.831 5.152 4.320 0.001 0.000 0.294 146 A C -0.650 176.896 177.584 -0.063 0.000 1.091 146 A CA -1.149 50.809 52.037 -0.131 0.000 0.704 146 A CB 0.951 19.736 19.000 -0.358 0.000 1.300 146 A HN 1.199 nan 8.150 nan 0.000 0.406 147 F N -0.507 119.452 119.950 0.014 0.000 2.541 147 F HA 0.845 5.372 4.527 0.001 0.000 0.331 147 F C -0.458 175.442 175.800 0.166 0.000 1.057 147 F CA -1.330 56.662 58.000 -0.013 0.000 0.975 147 F CB 1.097 40.123 39.000 0.043 0.000 1.246 147 F HN 0.285 nan 8.300 nan 0.000 0.484 148 V N 2.162 122.302 119.914 0.376 0.000 2.547 148 V HA 0.547 4.667 4.120 0.001 0.000 0.299 148 V C -0.541 175.715 176.094 0.271 0.000 1.040 148 V CA -0.862 61.596 62.300 0.262 0.000 0.913 148 V CB 1.673 33.656 31.823 0.266 0.000 0.992 148 V HN 0.724 nan 8.190 nan 0.000 0.449 149 V N 3.671 123.643 119.914 0.097 0.000 2.409 149 V HA 0.779 4.900 4.120 0.001 0.000 0.291 149 V C 0.154 176.292 176.094 0.073 0.000 1.020 149 V CA -0.441 61.929 62.300 0.116 0.000 0.848 149 V CB 1.576 33.445 31.823 0.076 0.000 0.990 149 V HN 0.992 nan 8.190 nan 0.000 0.430 150 A N 4.633 127.519 122.820 0.110 0.000 2.304 150 A HA 0.800 5.120 4.320 0.001 0.000 0.314 150 A C -0.671 176.978 177.584 0.108 0.000 1.187 150 A CA -0.553 51.541 52.037 0.095 0.000 0.810 150 A CB 1.545 20.581 19.000 0.060 0.000 1.183 150 A HN 0.600 nan 8.150 nan 0.000 0.487 151 Q N 1.612 121.490 119.800 0.130 0.000 2.330 151 Q HA 0.675 5.016 4.340 0.001 0.000 0.269 151 Q C -0.636 175.386 176.000 0.037 0.000 1.022 151 Q CA -0.175 55.679 55.803 0.084 0.000 0.796 151 Q CB 1.957 30.751 28.738 0.092 0.000 1.271 151 Q HN 1.324 nan 8.270 nan 0.000 0.450 152 G N 1.844 110.652 108.800 0.014 0.000 2.556 152 G HA2 0.348 4.308 3.960 0.001 0.000 0.294 152 G HA3 0.348 4.308 3.960 0.001 0.000 0.294 152 G C -1.237 173.659 174.900 -0.007 0.000 1.516 152 G CA -0.573 44.526 45.100 -0.002 0.000 0.824 152 G HN 0.655 nan 8.290 nan 0.000 0.535 153 E N -0.780 119.412 120.200 -0.013 0.000 2.297 153 E HA -0.196 4.155 4.350 0.001 0.000 0.228 153 E C 1.299 177.890 176.600 -0.014 0.000 1.213 153 E CA 1.141 57.533 56.400 -0.014 0.000 0.712 153 E CB -1.325 28.368 29.700 -0.011 0.000 1.202 153 E HN 2.407 nan 8.360 nan 0.000 0.376 154 G N 0.360 109.149 108.800 -0.018 0.000 2.379 154 G HA2 -0.364 3.597 3.960 0.001 0.000 0.297 154 G HA3 -0.364 3.597 3.960 0.001 0.000 0.297 154 G C -0.023 174.869 174.900 -0.013 0.000 1.004 154 G CA 0.959 46.048 45.100 -0.019 0.000 0.921 154 G HN 0.202 nan 8.290 nan 0.000 0.511 155 R N -1.120 119.376 120.500 -0.008 0.000 2.771 155 R HA 0.761 5.102 4.340 0.001 0.000 0.274 155 R C -0.745 175.561 176.300 0.009 0.000 0.987 155 R CA -0.570 55.529 56.100 -0.002 0.000 0.908 155 R CB 1.536 31.834 30.300 -0.005 0.000 1.213 155 R HN 0.121 nan 8.270 nan 0.000 0.468 156 T N 1.929 116.490 114.554 0.013 0.000 2.928 156 T HA 0.456 4.807 4.350 0.001 0.000 0.296 156 T C -1.027 173.691 174.700 0.029 0.000 1.000 156 T CA -0.585 61.533 62.100 0.031 0.000 0.989 156 T CB 1.470 70.360 68.868 0.036 0.000 1.005 156 T HN 0.364 nan 8.240 nan 0.000 0.442 157 L N 4.200 125.450 121.223 0.046 0.000 2.346 157 L HA 0.887 5.228 4.340 0.001 0.000 0.276 157 L C -1.382 175.544 176.870 0.094 0.000 1.006 157 L CA -0.576 54.293 54.840 0.049 0.000 0.817 157 L CB 1.663 43.743 42.059 0.034 0.000 1.272 157 L HN 0.449 nan 8.230 nan 0.000 0.421 158 V N 5.472 125.449 119.914 0.105 0.000 2.487 158 V HA 0.330 4.451 4.120 0.001 0.000 0.298 158 V C -1.094 175.152 176.094 0.254 0.000 1.028 158 V CA -0.458 61.948 62.300 0.177 0.000 0.860 158 V CB 1.421 33.298 31.823 0.089 0.000 0.991 158 V HN 0.745 nan 8.190 nan 0.000 0.427 159 Y N 4.230 124.625 120.300 0.158 0.000 2.369 159 Y HA 0.274 4.825 4.550 0.001 0.000 0.337 159 Y C 1.624 177.642 175.900 0.198 0.000 0.961 159 Y CA -0.169 57.997 58.100 0.111 0.000 1.186 159 Y CB 1.908 40.419 38.460 0.085 0.000 1.139 159 Y HN 0.818 nan 8.280 nan 0.000 0.494 160 S N 4.337 120.091 115.700 0.090 0.000 2.383 160 S HA 0.050 4.521 4.470 0.001 0.000 0.229 160 S C 1.269 175.578 174.600 -0.486 0.000 1.030 160 S CA 1.121 59.193 58.200 -0.214 0.000 1.002 160 S CB -0.827 62.168 63.200 -0.342 0.000 0.829 160 S HN 1.461 nan 8.310 nan 0.000 0.467 161 G N 1.363 109.627 108.800 -0.893 0.000 2.528 161 G HA2 -0.197 3.764 3.960 0.001 0.000 0.262 161 G HA3 -0.197 3.764 3.960 0.001 0.000 0.262 161 G C -0.990 173.571 174.900 -0.565 0.000 1.200 161 G CA 0.143 44.787 45.100 -0.760 0.000 0.951 161 G HN 0.542 nan 8.290 nan 0.000 0.566 162 D N 0.669 120.651 120.400 -0.697 0.000 2.344 162 D HA 0.501 5.141 4.640 0.001 0.000 0.239 162 D C -0.156 175.680 176.300 -0.773 0.000 1.064 162 D CA -0.474 53.019 54.000 -0.845 0.000 0.829 162 D CB 1.738 41.798 40.800 -1.233 0.000 1.129 162 D HN 0.193 nan 8.370 nan 0.000 0.506 163 L N 1.986 122.806 121.223 -0.671 0.000 2.371 163 L HA 0.299 4.639 4.340 0.001 0.000 0.272 163 L C 1.391 178.045 176.870 -0.360 0.000 1.124 163 L CA 0.123 54.622 54.840 -0.569 0.000 0.816 163 L CB 1.105 42.739 42.059 -0.709 0.000 1.129 163 L HN 0.369 nan 8.230 nan 0.000 0.448 164 G N 1.619 110.308 108.800 -0.186 0.000 2.535 164 G HA2 0.086 4.047 3.960 0.001 0.000 0.282 164 G HA3 0.086 4.047 3.960 0.001 0.000 0.282 164 G C -0.260 174.615 174.900 -0.042 0.000 1.350 164 G CA -0.548 44.550 45.100 -0.002 0.000 1.039 164 G HN 0.730 nan 8.290 nan 0.000 0.509 165 N N -0.668 118.033 118.700 0.002 0.000 2.609 165 N HA 0.109 4.850 4.740 0.001 0.000 0.234 165 N C 1.548 177.036 175.510 -0.036 0.000 1.001 165 N CA -0.548 52.507 53.050 0.009 0.000 0.926 165 N CB 0.476 38.992 38.487 0.049 0.000 1.130 165 N HN 0.572 nan 8.380 nan 0.000 0.510 166 R N 2.850 123.324 120.500 -0.042 0.000 2.341 166 R HA -0.082 4.259 4.340 0.001 0.000 0.213 166 R C 0.226 176.482 176.300 -0.073 0.000 1.082 166 R CA 1.156 57.224 56.100 -0.053 0.000 1.017 166 R CB -0.012 30.270 30.300 -0.030 0.000 0.860 166 R HN 0.620 nan 8.270 nan 0.000 0.473 167 E N 0.746 120.900 120.200 -0.075 0.000 2.435 167 E HA 0.012 4.363 4.350 0.001 0.000 0.195 167 E C 0.063 176.465 176.600 -0.330 0.000 1.029 167 E CA 0.322 56.665 56.400 -0.095 0.000 0.865 167 E CB 0.289 29.997 29.700 0.014 0.000 0.833 167 E HN 0.377 nan 8.360 nan 0.000 0.510 168 K N 0.673 120.788 120.400 -0.476 0.000 2.140 168 K HA 0.056 4.376 4.320 0.001 0.000 0.237 168 K C 0.286 176.591 176.600 -0.493 0.000 1.045 168 K CA -0.140 55.601 56.287 -0.911 0.000 0.896 168 K CB 0.472 32.639 32.500 -0.556 0.000 1.122 168 K HN -0.118 nan 8.250 nan 0.000 0.503 169 D N -0.199 119.972 120.400 -0.381 0.000 2.463 169 D HA -0.025 4.616 4.640 0.001 0.000 0.237 169 D C 1.854 178.082 176.300 -0.120 0.000 1.013 169 D CA 0.481 54.405 54.000 -0.127 0.000 0.910 169 D CB -0.112 40.725 40.800 0.062 0.000 1.080 169 D HN 0.098 nan 8.370 nan 0.000 0.498 170 V N 1.121 120.931 119.914 -0.173 0.000 2.392 170 V HA -0.135 3.986 4.120 0.001 0.000 0.249 170 V C 0.866 177.007 176.094 0.078 0.000 1.059 170 V CA 1.091 63.295 62.300 -0.159 0.000 1.051 170 V CB -0.187 31.588 31.823 -0.080 0.000 0.658 170 V HN 0.088 nan 8.190 nan 0.000 0.455 171 L N 0.246 121.491 121.223 0.036 0.000 2.332 171 L HA 0.525 4.866 4.340 0.001 0.000 0.269 171 L C -2.288 174.583 176.870 0.002 0.000 1.016 171 L CA -2.684 52.183 54.840 0.044 0.000 0.809 171 L CB 0.906 42.959 42.059 -0.010 0.000 1.280 171 L HN 0.004 nan 8.230 nan 0.000 0.447 172 P HA 0.120 nan 4.420 nan 0.000 0.279 172 P C -0.974 176.299 177.300 -0.045 0.000 1.239 172 P CA -0.561 62.523 63.100 -0.028 0.000 0.789 172 P CB 0.749 32.420 31.700 -0.047 0.000 0.933 173 D N 3.504 123.884 120.400 -0.033 0.000 2.472 173 D HA 0.085 4.726 4.640 0.001 0.000 0.237 173 D C -1.979 174.312 176.300 -0.016 0.000 1.141 173 D CA -0.349 53.637 54.000 -0.024 0.000 0.875 173 D CB -0.257 40.539 40.800 -0.006 0.000 1.192 173 D HN 0.243 nan 8.370 nan 0.000 0.450 174 P HA 0.030 nan 4.420 nan 0.000 0.271 174 P C -0.321 177.081 177.300 0.170 0.000 1.218 174 P CA -0.256 62.884 63.100 0.067 0.000 0.780 174 P CB 0.692 32.400 31.700 0.013 0.000 0.901 175 S N 2.903 118.758 115.700 0.259 0.000 2.565 175 S HA 0.300 4.771 4.470 0.001 0.000 0.274 175 S C 0.047 174.867 174.600 0.366 0.000 1.309 175 S CA -0.664 57.685 58.200 0.249 0.000 1.043 175 S CB -0.254 63.052 63.200 0.176 0.000 0.939 175 S HN 0.230 nan 8.310 nan 0.000 0.504 176 L N 5.139 126.427 121.223 0.109 0.000 2.473 176 L HA 0.376 4.717 4.340 0.001 0.000 0.268 176 L C -1.602 175.101 176.870 -0.279 0.000 1.215 176 L CA -1.600 53.107 54.840 -0.222 0.000 0.823 176 L CB 0.195 42.123 42.059 -0.218 0.000 1.099 176 L HN 0.612 nan 8.230 nan 0.000 0.483 177 P HA 0.341 nan 4.420 nan 0.000 0.283 177 P C -2.692 174.437 177.300 -0.285 0.000 1.271 177 P CA -1.707 61.062 63.100 -0.552 0.000 0.841 177 P CB 0.622 31.620 31.700 -1.171 0.000 1.122 178 P HA 0.169 nan 4.420 nan 0.000 0.276 178 P C -0.154 177.085 177.300 -0.102 0.000 1.244 178 P CA -0.505 62.563 63.100 -0.053 0.000 0.801 178 P CB 0.494 32.221 31.700 0.045 0.000 1.006 179 L N 1.396 122.570 121.223 -0.081 0.000 2.525 179 L HA 0.317 4.658 4.340 0.001 0.000 0.278 179 L C -0.103 176.733 176.870 -0.056 0.000 1.218 179 L CA 0.637 55.428 54.840 -0.082 0.000 0.878 179 L CB -0.639 41.386 42.059 -0.057 0.000 1.127 179 L HN 0.620 nan 8.230 nan 0.000 0.492 180 A N 3.757 126.539 122.820 -0.063 0.000 2.469 180 A HA 0.516 4.837 4.320 0.001 0.000 0.299 180 A C 0.283 177.850 177.584 -0.029 0.000 1.098 180 A CA -0.524 51.493 52.037 -0.034 0.000 0.737 180 A CB 0.857 19.838 19.000 -0.031 0.000 1.312 180 A HN 0.749 nan 8.150 nan 0.000 0.414 181 D N -0.623 119.768 120.400 -0.016 0.000 2.234 181 D HA 0.125 4.766 4.640 0.001 0.000 0.205 181 D C -0.216 176.074 176.300 -0.016 0.000 0.962 181 D CA 1.369 55.359 54.000 -0.016 0.000 0.855 181 D CB 0.334 41.127 40.800 -0.012 0.000 0.951 181 D HN 0.279 nan 8.370 nan 0.000 0.500 182 L N 0.161 121.377 121.223 -0.012 0.000 2.526 182 L HA 0.322 4.663 4.340 0.001 0.000 0.263 182 L C -1.745 175.127 176.870 0.002 0.000 0.943 182 L CA -0.643 54.191 54.840 -0.010 0.000 0.859 182 L CB 2.452 44.502 42.059 -0.015 0.000 1.313 182 L HN -0.359 nan 8.230 nan 0.000 0.406 183 V N 5.583 125.502 119.914 0.008 0.000 2.376 183 V HA 0.395 4.516 4.120 0.001 0.000 0.287 183 V C -0.483 175.646 176.094 0.058 0.000 1.015 183 V CA -0.499 61.827 62.300 0.043 0.000 0.834 183 V CB 1.567 33.411 31.823 0.035 0.000 1.001 183 V HN 0.644 nan 8.190 nan 0.000 0.428 184 L N 5.980 127.246 121.223 0.073 0.000 2.401 184 L HA 0.689 5.030 4.340 0.001 0.000 0.283 184 L C 0.527 177.492 176.870 0.158 0.000 1.151 184 L CA 0.371 55.231 54.840 0.035 0.000 0.942 184 L CB 0.082 42.070 42.059 -0.119 0.000 1.283 184 L HN 0.737 nan 8.230 nan 0.000 0.442 185 A N 4.019 126.907 122.820 0.112 0.000 2.311 185 A HA 0.717 5.037 4.320 0.001 0.000 0.334 185 A C -0.341 177.284 177.584 0.068 0.000 1.139 185 A CA -0.696 51.398 52.037 0.096 0.000 0.830 185 A CB 0.695 19.756 19.000 0.101 0.000 1.234 185 A HN 0.735 nan 8.150 nan 0.000 0.483 186 E N -0.049 120.145 120.200 -0.009 0.000 2.318 186 E HA 0.575 4.926 4.350 0.001 0.000 0.265 186 E C 0.373 176.974 176.600 0.002 0.000 1.069 186 E CA -0.168 56.231 56.400 -0.001 0.000 0.893 186 E CB 1.088 30.655 29.700 -0.221 0.000 1.076 186 E HN 0.624 nan 8.360 nan 0.000 0.414 187 G N 0.871 109.714 108.800 0.072 0.000 4.530 187 G HA2 0.014 3.975 3.960 0.001 0.000 0.284 187 G HA3 0.014 3.975 3.960 0.001 0.000 0.284 187 G C 0.661 175.602 174.900 0.068 0.000 1.008 187 G CA 0.048 45.180 45.100 0.053 0.000 0.770 187 G HN 0.500 nan 8.290 nan 0.000 0.424 188 T N 0.489 115.118 114.554 0.125 0.000 2.693 188 T HA -0.289 4.062 4.350 0.001 0.000 0.263 188 T C 1.047 175.678 174.700 -0.114 0.000 1.046 188 T CA 1.639 63.783 62.100 0.073 0.000 1.160 188 T CB -0.282 68.716 68.868 0.218 0.000 0.853 188 T HN 0.374 nan 8.240 nan 0.000 0.462 189 Y N 0.527 120.823 120.300 -0.007 0.000 2.781 189 Y HA 0.494 5.045 4.550 0.001 0.000 0.326 189 Y C 1.698 177.574 175.900 -0.039 0.000 1.019 189 Y CA -0.953 57.135 58.100 -0.019 0.000 1.372 189 Y CB 0.026 38.474 38.460 -0.020 0.000 1.260 189 Y HN 0.190 nan 8.280 nan 0.000 0.546 190 G N 0.079 108.912 108.800 0.055 0.000 2.470 190 G HA2 -0.273 3.687 3.960 0.001 0.000 0.220 190 G HA3 -0.273 3.687 3.960 0.001 0.000 0.220 190 G C 1.276 176.195 174.900 0.032 0.000 1.121 190 G CA 1.360 46.482 45.100 0.036 0.000 0.766 190 G HN 0.512 nan 8.290 nan 0.000 0.553 191 D N -0.274 120.145 120.400 0.033 0.000 2.305 191 D HA 0.058 4.698 4.640 0.001 0.000 0.206 191 D C 1.260 177.593 176.300 0.054 0.000 0.974 191 D CA 0.081 54.102 54.000 0.036 0.000 0.871 191 D CB 0.057 40.873 40.800 0.027 0.000 0.947 191 D HN 0.589 nan 8.370 nan 0.000 0.516 192 R N -1.306 119.243 120.500 0.082 0.000 2.734 192 R HA 0.599 4.939 4.340 0.001 0.000 0.271 192 R C -3.237 173.076 176.300 0.022 0.000 1.021 192 R CA -1.577 54.569 56.100 0.076 0.000 0.893 192 R CB 1.209 31.581 30.300 0.120 0.000 1.244 192 R HN -0.192 nan 8.270 nan 0.000 0.464 193 P HA 0.324 nan 4.420 nan 0.000 0.284 193 P C -1.023 176.205 177.300 -0.119 0.000 1.287 193 P CA -0.489 62.518 63.100 -0.155 0.000 0.824 193 P CB 0.970 32.633 31.700 -0.062 0.000 1.180 194 H N -0.262 118.800 119.070 -0.013 0.000 2.508 194 H HA 0.383 4.939 4.556 0.001 0.000 0.344 194 H C 0.667 176.003 175.328 0.013 0.000 1.192 194 H CA -0.400 55.639 56.048 -0.016 0.000 1.290 194 H CB 0.700 30.420 29.762 -0.071 0.000 1.571 194 H HN 0.262 nan 8.280 nan 0.000 0.555 195 R N 1.369 121.965 120.500 0.161 0.000 2.594 195 R HA 0.161 4.501 4.340 0.001 0.000 0.272 195 R C -2.192 174.148 176.300 0.067 0.000 1.074 195 R CA -1.437 54.715 56.100 0.087 0.000 1.105 195 R CB -0.213 30.124 30.300 0.062 0.000 1.008 195 R HN 0.367 nan 8.270 nan 0.000 0.472 196 P HA -0.197 nan 4.420 nan 0.000 0.264 196 P C -0.461 176.856 177.300 0.028 0.000 1.173 196 P CA 0.689 63.820 63.100 0.052 0.000 0.761 196 P CB 0.305 32.025 31.700 0.034 0.000 0.794 197 Y N 3.735 123.998 120.300 -0.063 0.000 2.243 197 Y HA -0.129 4.421 4.550 0.001 0.000 0.293 197 Y C 2.271 178.094 175.900 -0.129 0.000 1.124 197 Y CA 1.357 59.378 58.100 -0.132 0.000 1.159 197 Y CB -0.055 38.346 38.460 -0.097 0.000 1.008 197 Y HN 0.192 nan 8.280 nan 0.000 0.527 198 R N 0.505 121.031 120.500 0.043 0.000 2.103 198 R HA -0.236 4.104 4.340 0.001 0.000 0.242 198 R C 2.251 178.479 176.300 -0.121 0.000 1.142 198 R CA 2.125 58.215 56.100 -0.015 0.000 0.960 198 R CB -0.464 29.871 30.300 0.058 0.000 0.858 198 R HN 0.668 nan 8.270 nan 0.000 0.439 199 E N -0.338 119.806 120.200 -0.094 0.000 2.150 199 E HA -0.118 4.233 4.350 0.001 0.000 0.193 199 E C 1.392 177.905 176.600 -0.144 0.000 0.985 199 E CA 1.541 57.890 56.400 -0.085 0.000 0.814 199 E CB -0.184 29.492 29.700 -0.040 0.000 0.752 199 E HN 0.096 nan 8.360 nan 0.000 0.466 200 T N 0.763 115.151 114.554 -0.277 0.000 2.737 200 T HA -0.077 4.274 4.350 0.001 0.000 0.265 200 T C 1.986 176.451 174.700 -0.392 0.000 1.038 200 T CA 1.328 63.201 62.100 -0.379 0.000 1.144 200 T CB -0.170 68.295 68.868 -0.672 0.000 0.866 200 T HN 0.043 nan 8.240 nan 0.000 0.434 201 V N 1.257 120.822 119.914 -0.582 0.000 2.515 201 V HA -0.111 4.009 4.120 0.001 0.000 0.250 201 V C 2.561 178.604 176.094 -0.086 0.000 1.058 201 V CA 1.501 63.600 62.300 -0.334 0.000 1.064 201 V CB -0.576 31.003 31.823 -0.407 0.000 0.675 201 V HN 0.320 nan 8.190 nan 0.000 0.461 202 R N -0.009 120.419 120.500 -0.120 0.000 2.062 202 R HA -0.183 4.157 4.340 0.001 0.000 0.231 202 R C 2.469 178.753 176.300 -0.026 0.000 1.136 202 R CA 1.956 58.014 56.100 -0.070 0.000 0.948 202 R CB -0.261 30.004 30.300 -0.059 0.000 0.845 202 R HN 0.611 nan 8.270 nan 0.000 0.430 203 E N -0.388 119.805 120.200 -0.013 0.000 2.051 203 E HA -0.236 4.114 4.350 0.001 0.000 0.192 203 E C 1.787 178.395 176.600 0.012 0.000 0.991 203 E CA 1.348 57.747 56.400 -0.002 0.000 0.799 203 E CB -0.217 29.493 29.700 0.016 0.000 0.748 203 E HN 0.352 nan 8.360 nan 0.000 0.449 204 F N 1.321 121.239 119.950 -0.053 0.000 2.161 204 F HA -0.200 4.328 4.527 0.001 0.000 0.300 204 F C 1.817 177.586 175.800 -0.052 0.000 1.089 204 F CA 1.315 59.317 58.000 0.004 0.000 1.282 204 F CB -0.122 39.007 39.000 0.216 0.000 1.010 204 F HN 0.006 nan 8.300 nan 0.000 0.485 205 L N -0.006 121.231 121.223 0.023 0.000 2.109 205 L HA -0.146 4.195 4.340 0.001 0.000 0.207 205 L C 2.398 179.153 176.870 -0.191 0.000 1.086 205 L CA 1.453 56.221 54.840 -0.119 0.000 0.760 205 L CB -0.736 41.289 42.059 -0.056 0.000 0.910 205 L HN 0.169 nan 8.230 nan 0.000 0.437 206 E N 0.517 120.632 120.200 -0.142 0.000 2.058 206 E HA -0.247 4.104 4.350 0.001 0.000 0.194 206 E C 2.215 178.702 176.600 -0.188 0.000 0.997 206 E CA 1.429 57.750 56.400 -0.132 0.000 0.801 206 E CB -0.173 29.472 29.700 -0.091 0.000 0.746 206 E HN 0.432 nan 8.360 nan 0.000 0.450 207 I N 1.251 121.658 120.570 -0.272 0.000 2.091 207 I HA -0.349 3.821 4.170 0.001 0.000 0.239 207 I C 2.514 178.440 176.117 -0.319 0.000 1.061 207 I CA 1.282 62.365 61.300 -0.361 0.000 1.317 207 I CB -0.466 37.191 38.000 -0.572 0.000 1.031 207 I HN 0.139 nan 8.210 nan 0.000 0.401 208 L N 0.311 121.285 121.223 -0.416 0.000 2.021 208 L HA -0.277 4.064 4.340 0.001 0.000 0.215 208 L C 2.611 179.355 176.870 -0.210 0.000 1.074 208 L CA 1.765 56.398 54.840 -0.346 0.000 0.760 208 L CB -0.820 40.982 42.059 -0.428 0.000 0.889 208 L HN 0.363 nan 8.230 nan 0.000 0.433 209 E N -0.069 120.021 120.200 -0.183 0.000 2.110 209 E HA -0.261 4.090 4.350 0.001 0.000 0.193 209 E C 2.067 178.609 176.600 -0.098 0.000 0.988 209 E CA 1.131 57.458 56.400 -0.121 0.000 0.804 209 E CB -0.023 29.615 29.700 -0.103 0.000 0.745 209 E HN 0.263 nan 8.360 nan 0.000 0.458 210 K N 0.946 121.282 120.400 -0.106 0.000 1.991 210 K HA -0.168 4.153 4.320 0.001 0.000 0.212 210 K C 2.309 178.871 176.600 -0.063 0.000 1.049 210 K CA 2.260 58.502 56.287 -0.075 0.000 0.932 210 K CB -0.855 31.601 32.500 -0.073 0.000 0.717 210 K HN 0.121 nan 8.250 nan 0.000 0.441 211 T N -0.377 114.129 114.554 -0.079 0.000 2.812 211 T HA -0.048 4.303 4.350 0.001 0.000 0.264 211 T C 1.951 176.618 174.700 -0.055 0.000 1.042 211 T CA 1.351 63.417 62.100 -0.058 0.000 1.140 211 T CB -0.261 68.571 68.868 -0.061 0.000 0.870 211 T HN 0.237 nan 8.240 nan 0.000 0.445 212 L N 0.930 122.109 121.223 -0.073 0.000 2.017 212 L HA -0.071 4.269 4.340 0.001 0.000 0.208 212 L C 3.183 180.027 176.870 -0.044 0.000 1.073 212 L CA 1.571 56.376 54.840 -0.058 0.000 0.745 212 L CB -0.764 41.252 42.059 -0.073 0.000 0.894 212 L HN 0.305 nan 8.230 nan 0.000 0.432 213 S N -0.240 115.432 115.700 -0.047 0.000 2.387 213 S HA -0.244 4.226 4.470 0.001 0.000 0.230 213 S C 1.555 176.140 174.600 -0.026 0.000 1.035 213 S CA 1.602 59.780 58.200 -0.036 0.000 1.014 213 S CB -0.336 62.842 63.200 -0.037 0.000 0.836 213 S HN 0.596 nan 8.310 nan 0.000 0.466 214 Q N 0.438 120.223 119.800 -0.025 0.000 2.228 214 Q HA 0.404 4.744 4.340 0.001 0.000 0.211 214 Q C 0.834 176.826 176.000 -0.013 0.000 0.890 214 Q CA 0.323 56.116 55.803 -0.016 0.000 0.953 214 Q CB -0.302 28.428 28.738 -0.014 0.000 1.053 214 Q HN 0.348 nan 8.270 nan 0.000 0.471 215 G N 0.194 108.985 108.800 -0.016 0.000 2.258 215 G HA2 -0.293 3.667 3.960 0.001 0.000 0.274 215 G HA3 -0.293 3.667 3.960 0.001 0.000 0.274 215 G C 0.343 175.240 174.900 -0.006 0.000 1.021 215 G CA 0.079 45.173 45.100 -0.010 0.000 0.798 215 G HN 0.716 nan 8.290 nan 0.000 0.507 216 G N -1.051 107.742 108.800 -0.012 0.000 2.535 216 G HA2 0.617 4.577 3.960 0.001 0.000 0.303 216 G HA3 0.617 4.577 3.960 0.001 0.000 0.303 216 G C -0.006 174.889 174.900 -0.009 0.000 1.237 216 G CA -0.750 44.346 45.100 -0.008 0.000 0.986 216 G HN 0.418 nan 8.290 nan 0.000 0.494 217 K N -0.826 119.571 120.400 -0.005 0.000 2.123 217 K HA 0.518 4.839 4.320 0.001 0.000 0.259 217 K C -1.046 175.538 176.600 -0.028 0.000 0.960 217 K CA -0.612 55.672 56.287 -0.006 0.000 0.872 217 K CB 2.461 34.967 32.500 0.010 0.000 1.079 217 K HN 0.134 nan 8.250 nan 0.000 0.440 218 V N 4.200 124.087 119.914 -0.044 0.000 2.334 218 V HA 0.215 4.336 4.120 0.001 0.000 0.281 218 V C -0.851 175.200 176.094 -0.072 0.000 1.016 218 V CA -0.886 61.371 62.300 -0.073 0.000 0.832 218 V CB 0.953 32.707 31.823 -0.114 0.000 0.999 218 V HN 0.492 nan 8.190 nan 0.000 0.439 219 L N 6.633 127.808 121.223 -0.080 0.000 2.295 219 L HA 0.599 4.940 4.340 0.001 0.000 0.285 219 L C -0.202 176.590 176.870 -0.130 0.000 1.035 219 L CA -0.101 54.677 54.840 -0.103 0.000 0.806 219 L CB 1.373 43.381 42.059 -0.084 0.000 1.214 219 L HN 0.473 nan 8.230 nan 0.000 0.426 220 I N 5.649 126.147 120.570 -0.122 0.000 2.493 220 I HA 0.292 4.463 4.170 0.001 0.000 0.279 220 I C -2.325 173.728 176.117 -0.108 0.000 1.045 220 I CA -1.622 59.611 61.300 -0.111 0.000 1.106 220 I CB 2.054 40.025 38.000 -0.048 0.000 1.216 220 I HN 0.384 nan 8.210 nan 0.000 0.459 221 P HA 0.243 nan 4.420 nan 0.000 0.275 221 P C -0.553 176.686 177.300 -0.102 0.000 1.227 221 P CA 0.083 63.131 63.100 -0.086 0.000 0.781 221 P CB 1.295 32.973 31.700 -0.037 0.000 0.906 222 T N -0.951 113.514 114.554 -0.148 0.000 2.853 222 T HA 0.566 4.917 4.350 0.001 0.000 0.311 222 T C -0.536 174.040 174.700 -0.208 0.000 1.307 222 T CA -0.678 61.330 62.100 -0.154 0.000 1.019 222 T CB 0.476 69.314 68.868 -0.051 0.000 1.264 222 T HN 0.040 nan 8.240 nan 0.000 0.497 223 F N 1.024 120.998 119.950 0.040 0.000 2.399 223 F HA 0.555 5.082 4.527 0.001 0.000 0.342 223 F C 1.838 177.644 175.800 0.010 0.000 1.106 223 F CA -0.443 57.576 58.000 0.031 0.000 1.196 223 F CB 0.935 39.955 39.000 0.034 0.000 1.163 223 F HN 0.895 nan 8.300 nan 0.000 0.547 224 A N 2.432 125.365 122.820 0.189 0.000 2.014 224 A HA -0.010 4.311 4.320 0.001 0.000 0.218 224 A C 1.881 179.503 177.584 0.063 0.000 1.163 224 A CA 1.195 53.282 52.037 0.084 0.000 0.652 224 A CB -0.634 18.402 19.000 0.060 0.000 0.808 224 A HN 0.603 nan 8.150 nan 0.000 0.449 225 V N -0.644 119.345 119.914 0.124 0.000 2.251 225 V HA -0.105 4.016 4.120 0.001 0.000 0.237 225 V C 2.585 178.731 176.094 0.088 0.000 1.040 225 V CA 1.991 64.353 62.300 0.104 0.000 1.005 225 V CB -0.409 31.518 31.823 0.173 0.000 0.645 225 V HN 0.565 nan 8.190 nan 0.000 0.458 226 E N -0.623 119.655 120.200 0.130 0.000 2.132 226 E HA -0.021 4.330 4.350 0.001 0.000 0.193 226 E C 2.470 179.114 176.600 0.074 0.000 0.951 226 E CA 0.122 56.592 56.400 0.117 0.000 0.843 226 E CB 0.038 29.778 29.700 0.067 0.000 0.807 226 E HN 0.225 nan 8.360 nan 0.000 0.467 227 R N 0.983 121.551 120.500 0.113 0.000 2.133 227 R HA -0.179 4.162 4.340 0.001 0.000 0.245 227 R C 2.236 178.554 176.300 0.030 0.000 1.137 227 R CA 1.505 57.671 56.100 0.110 0.000 0.947 227 R CB -1.254 29.181 30.300 0.225 0.000 0.865 227 R HN 0.196 nan 8.270 nan 0.000 0.437 228 A N 2.250 125.078 122.820 0.013 0.000 1.849 228 A HA -0.242 4.078 4.320 0.001 0.000 0.217 228 A C 2.215 179.761 177.584 -0.062 0.000 1.202 228 A CA 2.119 54.135 52.037 -0.034 0.000 0.629 228 A CB -0.593 18.381 19.000 -0.043 0.000 0.834 228 A HN 0.433 nan 8.150 nan 0.000 0.447 229 Q N 0.015 119.729 119.800 -0.144 0.000 2.135 229 Q HA -0.252 4.089 4.340 0.001 0.000 0.204 229 Q C 1.754 177.735 176.000 -0.032 0.000 0.981 229 Q CA 1.883 57.561 55.803 -0.208 0.000 0.856 229 Q CB -0.884 27.472 28.738 -0.638 0.000 0.902 229 Q HN 0.878 nan 8.270 nan 0.000 0.425 230 E N 0.341 120.543 120.200 0.002 0.000 2.204 230 E HA -0.148 4.202 4.350 0.001 0.000 0.195 230 E C 1.815 178.517 176.600 0.169 0.000 0.990 230 E CA 0.695 57.179 56.400 0.141 0.000 0.821 230 E CB 0.137 29.914 29.700 0.129 0.000 0.750 230 E HN 0.272 nan 8.360 nan 0.000 0.477 231 I N 0.806 121.386 120.570 0.018 0.000 2.333 231 I HA -0.192 3.979 4.170 0.001 0.000 0.246 231 I C 2.352 178.506 176.117 0.063 0.000 1.106 231 I CA 0.760 61.999 61.300 -0.100 0.000 1.411 231 I CB -0.858 37.027 38.000 -0.191 0.000 1.082 231 I HN 0.269 nan 8.210 nan 0.000 0.420 232 L N -0.404 120.881 121.223 0.103 0.000 2.042 232 L HA -0.296 4.045 4.340 0.001 0.000 0.210 232 L C 2.708 179.717 176.870 0.231 0.000 1.076 232 L CA 1.634 56.561 54.840 0.146 0.000 0.749 232 L CB -0.878 41.262 42.059 0.135 0.000 0.893 232 L HN 0.167 nan 8.230 nan 0.000 0.432 233 Y N 0.463 120.884 120.300 0.202 0.000 2.070 233 Y HA -0.289 4.261 4.550 0.001 0.000 0.280 233 Y C 2.479 178.491 175.900 0.186 0.000 1.148 233 Y CA 2.019 60.241 58.100 0.203 0.000 1.125 233 Y CB -0.420 38.212 38.460 0.287 0.000 0.975 233 Y HN -0.161 nan 8.280 nan 0.000 0.492 234 V N 0.572 120.695 119.914 0.348 0.000 2.453 234 V HA -0.344 3.777 4.120 0.001 0.000 0.252 234 V C 2.407 178.679 176.094 0.297 0.000 1.068 234 V CA 1.987 64.495 62.300 0.347 0.000 1.070 234 V CB -0.841 31.163 31.823 0.301 0.000 0.664 234 V HN 0.458 nan 8.190 nan 0.000 0.461 235 L N -1.500 119.846 121.223 0.206 0.000 2.044 235 L HA -0.158 4.183 4.340 0.001 0.000 0.205 235 L C 2.460 179.362 176.870 0.054 0.000 1.075 235 L CA 1.894 56.832 54.840 0.162 0.000 0.747 235 L CB -0.616 41.525 42.059 0.136 0.000 0.903 235 L HN 0.390 nan 8.230 nan 0.000 0.435 236 Y N 1.175 121.405 120.300 -0.116 0.000 2.207 236 Y HA -0.294 4.257 4.550 0.001 0.000 0.287 236 Y C 2.696 178.438 175.900 -0.264 0.000 1.156 236 Y CA 2.032 60.010 58.100 -0.203 0.000 1.182 236 Y CB -0.196 38.081 38.460 -0.304 0.000 0.979 236 Y HN 0.262 nan 8.280 nan 0.000 0.521 237 T N -3.507 110.920 114.554 -0.213 0.000 3.113 237 T HA -0.016 4.335 4.350 0.001 0.000 0.256 237 T C 0.887 175.276 174.700 -0.518 0.000 1.131 237 T CA 1.142 63.013 62.100 -0.382 0.000 1.074 237 T CB -0.230 68.303 68.868 -0.557 0.000 0.944 237 T HN 0.532 nan 8.240 nan 0.000 0.516 238 H N -0.865 118.173 119.070 -0.052 0.000 3.535 238 H HA 0.366 4.923 4.556 0.001 0.000 0.260 238 H C 2.238 177.300 175.328 -0.443 0.000 1.173 238 H CA 0.166 56.064 56.048 -0.250 0.000 1.168 238 H CB 0.161 29.860 29.762 -0.105 0.000 1.568 238 H HN 0.461 nan 8.280 nan 0.000 0.602 239 G N 1.646 110.346 108.800 -0.167 0.000 2.479 239 G HA2 -0.319 3.642 3.960 0.001 0.000 0.220 239 G HA3 -0.319 3.642 3.960 0.001 0.000 0.220 239 G C 1.423 176.212 174.900 -0.186 0.000 1.115 239 G CA 1.323 46.329 45.100 -0.157 0.000 0.757 239 G HN 0.598 nan 8.290 nan 0.000 0.560 240 H N 0.492 119.505 119.070 -0.095 0.000 2.539 240 H HA -0.077 4.480 4.556 0.001 0.000 0.292 240 H C 2.064 177.369 175.328 -0.038 0.000 1.069 240 H CA 1.439 57.437 56.048 -0.083 0.000 1.244 240 H CB -0.194 29.511 29.762 -0.095 0.000 1.365 240 H HN 0.569 nan 8.280 nan 0.000 0.575 241 R N 0.179 120.449 120.500 -0.383 0.000 2.509 241 R HA 0.298 4.639 4.340 0.001 0.000 0.297 241 R C -0.441 175.777 176.300 -0.137 0.000 0.951 241 R CA -0.261 55.720 56.100 -0.200 0.000 1.103 241 R CB 0.350 30.491 30.300 -0.264 0.000 1.283 241 R HN 0.212 nan 8.270 nan 0.000 0.534 242 L N 3.603 124.743 121.223 -0.140 0.000 2.325 242 L HA 0.494 4.835 4.340 0.001 0.000 0.279 242 L C -1.971 174.854 176.870 -0.076 0.000 1.054 242 L CA -2.491 52.288 54.840 -0.101 0.000 0.804 242 L CB 1.467 43.469 42.059 -0.094 0.000 1.200 242 L HN -0.036 nan 8.230 nan 0.000 0.436 243 P HA 0.080 nan 4.420 nan 0.000 0.271 243 P C -1.050 176.218 177.300 -0.053 0.000 1.220 243 P CA -0.513 62.555 63.100 -0.053 0.000 0.768 243 P CB 0.372 32.043 31.700 -0.049 0.000 0.848 244 R N 2.158 122.629 120.500 -0.048 0.000 2.502 244 R HA 0.517 4.857 4.340 0.001 0.000 0.292 244 R C -0.208 176.063 176.300 -0.048 0.000 0.998 244 R CA -0.311 55.760 56.100 -0.050 0.000 1.056 244 R CB -0.149 30.125 30.300 -0.043 0.000 0.939 244 R HN 0.510 nan 8.270 nan 0.000 0.411 245 A N 3.651 126.436 122.820 -0.059 0.000 2.612 245 A HA 0.567 4.888 4.320 0.001 0.000 0.293 245 A C -2.706 174.817 177.584 -0.102 0.000 1.075 245 A CA -1.621 50.381 52.037 -0.057 0.000 0.680 245 A CB 1.561 20.535 19.000 -0.043 0.000 1.279 245 A HN 0.708 nan 8.150 nan 0.000 0.411 246 P HA 0.517 nan 4.420 nan 0.000 0.274 246 P C -0.927 176.148 177.300 -0.374 0.000 1.231 246 P CA 0.018 62.921 63.100 -0.330 0.000 0.790 246 P CB 0.798 32.216 31.700 -0.470 0.000 0.951 247 I N 2.422 122.733 120.570 -0.433 0.000 2.437 247 I HA 0.224 4.394 4.170 0.001 0.000 0.279 247 I C -0.485 175.444 176.117 -0.314 0.000 1.028 247 I CA -0.806 60.339 61.300 -0.259 0.000 1.142 247 I CB 0.661 38.586 38.000 -0.126 0.000 1.266 247 I HN 0.255 nan 8.210 nan 0.000 0.461 248 Y N 6.229 126.507 120.300 -0.037 0.000 2.350 248 Y HA 0.318 4.868 4.550 0.001 0.000 0.340 248 Y C 0.086 175.955 175.900 -0.052 0.000 1.006 248 Y CA -0.721 57.356 58.100 -0.038 0.000 1.166 248 Y CB 1.182 39.616 38.460 -0.044 0.000 1.168 248 Y HN 0.412 nan 8.280 nan 0.000 0.502 249 L N 4.607 125.892 121.223 0.103 0.000 2.397 249 L HA 0.286 4.627 4.340 0.001 0.000 0.263 249 L C 0.053 176.959 176.870 0.060 0.000 1.136 249 L CA -0.113 54.754 54.840 0.044 0.000 1.019 249 L CB -0.225 41.844 42.059 0.016 0.000 1.352 249 L HN 0.539 nan 8.230 nan 0.000 0.420 250 D N 1.843 122.273 120.400 0.050 0.000 2.885 250 D HA 0.070 4.711 4.640 0.001 0.000 0.234 250 D C -0.583 175.737 176.300 0.034 0.000 1.129 250 D CA 0.501 54.535 54.000 0.056 0.000 0.991 250 D CB -0.005 40.835 40.800 0.067 0.000 1.137 250 D HN 0.358 nan 8.370 nan 0.000 0.459 251 S N 0.843 116.553 115.700 0.017 0.000 2.609 251 S HA 0.338 4.809 4.470 0.001 0.000 0.250 251 S C -2.061 172.531 174.600 -0.013 0.000 1.112 251 S CA -1.125 57.075 58.200 -0.000 0.000 1.102 251 S CB 1.449 64.647 63.200 -0.004 0.000 1.124 251 S HN -0.064 nan 8.310 nan 0.000 0.460 252 P HA -0.135 nan 4.420 nan 0.000 0.216 252 P C 1.618 178.899 177.300 -0.031 0.000 1.153 252 P CA 0.990 64.064 63.100 -0.044 0.000 0.858 252 P CB 0.084 31.734 31.700 -0.084 0.000 0.789 253 M N -0.733 118.853 119.600 -0.023 0.000 2.077 253 M HA -0.115 4.365 4.480 0.001 0.000 0.261 253 M C 1.956 178.243 176.300 -0.022 0.000 1.070 253 M CA 2.105 57.397 55.300 -0.014 0.000 1.125 253 M CB -0.528 32.074 32.600 0.003 0.000 1.339 253 M HN -0.123 nan 8.290 nan 0.000 0.409 254 A N 0.171 122.977 122.820 -0.024 0.000 2.024 254 A HA -0.083 4.238 4.320 0.001 0.000 0.220 254 A C 2.172 179.709 177.584 -0.079 0.000 1.164 254 A CA 1.857 53.863 52.037 -0.053 0.000 0.643 254 A CB -1.528 17.447 19.000 -0.042 0.000 0.806 254 A HN 0.689 nan 8.150 nan 0.000 0.451 255 G N -0.586 108.186 108.800 -0.047 0.000 2.404 255 G HA2 -0.186 3.774 3.960 0.001 0.000 0.214 255 G HA3 -0.186 3.774 3.960 0.001 0.000 0.214 255 G C 1.707 176.584 174.900 -0.039 0.000 1.189 255 G CA 0.695 45.772 45.100 -0.038 0.000 0.789 255 G HN 0.550 nan 8.290 nan 0.000 0.533 256 R N -0.212 120.271 120.500 -0.028 0.000 2.139 256 R HA -0.055 4.286 4.340 0.001 0.000 0.243 256 R C 2.569 178.855 176.300 -0.023 0.000 1.145 256 R CA 1.087 57.178 56.100 -0.014 0.000 0.976 256 R CB -0.473 29.822 30.300 -0.008 0.000 0.866 256 R HN 0.312 nan 8.270 nan 0.000 0.449 257 V N 1.075 120.949 119.914 -0.066 0.000 2.323 257 V HA -0.203 3.917 4.120 0.001 0.000 0.244 257 V C 2.154 178.106 176.094 -0.236 0.000 1.041 257 V CA 1.348 63.580 62.300 -0.114 0.000 1.025 257 V CB -0.422 31.303 31.823 -0.163 0.000 0.656 257 V HN 0.225 nan 8.190 nan 0.000 0.451 258 L N 0.221 121.269 121.223 -0.292 0.000 2.081 258 L HA -0.188 4.153 4.340 0.001 0.000 0.212 258 L C 2.462 179.312 176.870 -0.032 0.000 1.080 258 L CA 2.270 56.936 54.840 -0.290 0.000 0.754 258 L CB -0.804 41.160 42.059 -0.159 0.000 0.893 258 L HN 0.299 nan 8.230 nan 0.000 0.433 259 S N -0.797 114.911 115.700 0.012 0.000 2.368 259 S HA -0.135 4.336 4.470 0.001 0.000 0.224 259 S C 1.786 176.467 174.600 0.135 0.000 1.029 259 S CA 1.316 59.563 58.200 0.079 0.000 0.988 259 S CB -0.473 62.758 63.200 0.052 0.000 0.838 259 S HN 0.419 nan 8.310 nan 0.000 0.462 260 L N 0.928 122.232 121.223 0.135 0.000 2.191 260 L HA 0.008 4.349 4.340 0.001 0.000 0.212 260 L C 1.702 178.767 176.870 0.324 0.000 1.103 260 L CA 1.475 56.425 54.840 0.183 0.000 0.769 260 L CB -0.833 41.319 42.059 0.155 0.000 0.908 260 L HN 0.402 nan 8.230 nan 0.000 0.438 261 Y N -0.048 120.339 120.300 0.145 0.000 2.151 261 Y HA -0.269 4.281 4.550 0.001 0.000 0.284 261 Y C -0.152 175.916 175.900 0.279 0.000 1.166 261 Y CA 1.105 59.375 58.100 0.283 0.000 1.163 261 Y CB -1.362 37.274 38.460 0.294 0.000 0.974 261 Y HN 0.313 nan 8.280 nan 0.000 0.511 262 P HA -0.151 nan 4.420 nan 0.000 0.218 262 P C 0.761 178.038 177.300 -0.037 0.000 1.149 262 P CA 1.680 64.828 63.100 0.080 0.000 0.817 262 P CB -0.035 31.788 31.700 0.204 0.000 0.785 263 R N -1.333 119.202 120.500 0.059 0.000 2.323 263 R HA 0.088 4.428 4.340 0.001 0.000 0.198 263 R C 0.511 176.831 176.300 0.033 0.000 0.988 263 R CA 0.476 56.595 56.100 0.032 0.000 1.041 263 R CB -0.282 30.048 30.300 0.050 0.000 0.926 263 R HN 0.169 nan 8.270 nan 0.000 0.476 264 L N -0.489 120.762 121.223 0.048 0.000 3.168 264 L HA 0.090 4.431 4.340 0.001 0.000 0.277 264 L C 1.322 178.210 176.870 0.031 0.000 1.245 264 L CA 0.312 55.185 54.840 0.054 0.000 1.035 264 L CB 1.013 42.994 42.059 -0.129 0.000 1.399 264 L HN -0.090 nan 8.230 nan 0.000 0.580 265 V N 1.153 121.054 119.914 -0.021 0.000 2.380 265 V HA -0.292 3.829 4.120 0.001 0.000 0.251 265 V C 2.552 178.651 176.094 0.009 0.000 1.063 265 V CA 2.349 64.632 62.300 -0.028 0.000 1.055 265 V CB -0.264 31.253 31.823 -0.510 0.000 0.657 265 V HN 0.766 nan 8.190 nan 0.000 0.455 266 R N -1.648 118.779 120.500 -0.123 0.000 2.341 266 R HA -0.120 4.221 4.340 0.001 0.000 0.213 266 R C 1.569 177.641 176.300 -0.380 0.000 1.082 266 R CA 1.933 57.883 56.100 -0.250 0.000 1.017 266 R CB -0.713 29.362 30.300 -0.375 0.000 0.860 266 R HN 0.614 nan 8.270 nan 0.000 0.473 267 Y N -0.447 119.677 120.300 -0.293 0.000 2.458 267 Y HA 0.297 4.847 4.550 0.001 0.000 0.256 267 Y C 0.189 175.788 175.900 -0.502 0.000 1.159 267 Y CA -0.650 57.208 58.100 -0.403 0.000 1.261 267 Y CB 0.356 38.476 38.460 -0.566 0.000 1.119 267 Y HN -0.119 nan 8.280 nan 0.000 0.524 268 F N -0.340 119.643 119.950 0.054 0.000 2.375 268 F HA 0.339 4.867 4.527 0.001 0.000 0.317 268 F C 1.195 177.008 175.800 0.022 0.000 1.124 268 F CA -1.456 56.566 58.000 0.037 0.000 1.050 268 F CB 0.241 39.297 39.000 0.093 0.000 1.314 268 F HN -0.244 nan 8.300 nan 0.000 0.511 269 S N 0.055 115.897 115.700 0.238 0.000 2.598 269 S HA 0.039 4.509 4.470 0.001 0.000 0.256 269 S C 0.934 175.609 174.600 0.126 0.000 1.350 269 S CA -0.572 57.699 58.200 0.118 0.000 0.984 269 S CB 0.513 63.757 63.200 0.074 0.000 0.930 269 S HN 0.574 nan 8.310 nan 0.000 0.577 270 E N 0.961 121.211 120.200 0.084 0.000 2.017 270 E HA -0.184 4.167 4.350 0.001 0.000 0.193 270 E C 1.983 178.650 176.600 0.113 0.000 0.997 270 E CA 1.501 57.950 56.400 0.082 0.000 0.804 270 E CB -0.933 28.799 29.700 0.052 0.000 0.757 270 E HN 0.925 nan 8.360 nan 0.000 0.448 271 E N 0.737 121.005 120.200 0.113 0.000 2.164 271 E HA -0.219 4.132 4.350 0.001 0.000 0.206 271 E C 2.008 178.771 176.600 0.270 0.000 1.032 271 E CA 1.701 58.201 56.400 0.167 0.000 0.832 271 E CB 0.093 29.898 29.700 0.174 0.000 0.742 271 E HN 0.027 nan 8.360 nan 0.000 0.460 272 V N 0.532 120.559 119.914 0.189 0.000 2.667 272 V HA -0.192 3.928 4.120 0.001 0.000 0.252 272 V C 2.237 178.495 176.094 0.273 0.000 1.065 272 V CA 1.717 64.101 62.300 0.139 0.000 1.083 272 V CB -0.297 31.529 31.823 0.006 0.000 0.692 272 V HN 0.299 nan 8.190 nan 0.000 0.468 273 Q N -0.378 119.588 119.800 0.276 0.000 2.187 273 Q HA -0.020 4.320 4.340 0.001 0.000 0.199 273 Q C 2.457 178.583 176.000 0.209 0.000 0.957 273 Q CA 1.239 57.216 55.803 0.291 0.000 0.857 273 Q CB -0.270 28.577 28.738 0.182 0.000 0.929 273 Q HN 0.655 nan 8.270 nan 0.000 0.453 274 A N 1.247 124.141 122.820 0.123 0.000 1.892 274 A HA -0.255 4.066 4.320 0.001 0.000 0.218 274 A C 1.741 179.302 177.584 -0.037 0.000 1.188 274 A CA 1.575 53.619 52.037 0.012 0.000 0.631 274 A CB -0.895 18.064 19.000 -0.068 0.000 0.822 274 A HN 0.400 nan 8.150 nan 0.000 0.447 275 H N -1.942 117.101 119.070 -0.045 0.000 2.290 275 H HA -0.156 4.400 4.556 0.001 0.000 0.298 275 H C 2.008 177.237 175.328 -0.165 0.000 1.087 275 H CA 1.998 57.944 56.048 -0.169 0.000 1.291 275 H CB -0.555 28.981 29.762 -0.376 0.000 1.369 275 H HN 0.548 nan 8.280 nan 0.000 0.492 276 F N 0.390 120.363 119.950 0.038 0.000 2.307 276 F HA -0.156 4.372 4.527 0.001 0.000 0.301 276 F C 2.442 178.249 175.800 0.012 0.000 1.076 276 F CA 0.485 58.487 58.000 0.004 0.000 1.383 276 F CB -0.345 38.663 39.000 0.012 0.000 1.055 276 F HN 0.042 nan 8.300 nan 0.000 0.526 277 L N -0.450 120.878 121.223 0.174 0.000 2.109 277 L HA -0.076 4.265 4.340 0.001 0.000 0.207 277 L C 2.019 178.920 176.870 0.052 0.000 1.086 277 L CA 1.516 56.413 54.840 0.095 0.000 0.760 277 L CB -0.630 41.464 42.059 0.059 0.000 0.910 277 L HN 0.002 nan 8.230 nan 0.000 0.437 278 Q N -0.102 119.710 119.800 0.020 0.000 2.387 278 Q HA 0.139 4.480 4.340 0.001 0.000 0.211 278 Q C 1.441 177.452 176.000 0.018 0.000 0.952 278 Q CA 0.710 56.513 55.803 -0.000 0.000 0.957 278 Q CB -0.324 28.391 28.738 -0.038 0.000 1.002 278 Q HN 0.602 nan 8.270 nan 0.000 0.502 279 G N 1.025 109.853 108.800 0.046 0.000 2.189 279 G HA2 -0.310 3.651 3.960 0.001 0.000 0.267 279 G HA3 -0.310 3.651 3.960 0.001 0.000 0.267 279 G C 0.184 175.103 174.900 0.033 0.000 0.975 279 G CA 0.479 45.613 45.100 0.056 0.000 0.644 279 G HN 0.319 nan 8.290 nan 0.000 0.537 280 K N 0.229 120.618 120.400 -0.018 0.000 2.110 280 K HA 0.386 4.707 4.320 0.001 0.000 0.263 280 K C -0.456 175.944 176.600 -0.332 0.000 0.975 280 K CA -0.828 55.407 56.287 -0.087 0.000 0.895 280 K CB 0.898 33.390 32.500 -0.012 0.000 1.060 280 K HN 0.088 nan 8.250 nan 0.000 0.448 281 N N 3.628 122.102 118.700 -0.376 0.000 2.527 281 N HA 0.114 4.855 4.740 0.001 0.000 0.236 281 N C -1.837 173.121 175.510 -0.919 0.000 0.999 281 N CA -2.159 50.514 53.050 -0.628 0.000 0.935 281 N CB 1.070 39.456 38.487 -0.168 0.000 1.132 281 N HN 0.302 nan 8.380 nan 0.000 0.511 282 P HA -0.052 nan 4.420 nan 0.000 0.226 282 P C 0.362 177.011 177.300 -1.085 0.000 1.153 282 P CA 0.727 62.749 63.100 -1.797 0.000 0.777 282 P CB -0.011 30.765 31.700 -1.539 0.000 0.794 283 F N 0.395 120.101 119.950 -0.407 0.000 2.676 283 F HA 0.246 4.773 4.527 0.001 0.000 0.300 283 F C 1.198 176.952 175.800 -0.077 0.000 1.160 283 F CA -0.050 57.882 58.000 -0.115 0.000 1.401 283 F CB -0.319 38.682 39.000 0.001 0.000 1.037 283 F HN -0.218 nan 8.300 nan 0.000 0.522 284 R N 1.073 121.585 120.500 0.020 0.000 2.644 284 R HA 0.210 4.551 4.340 0.001 0.000 0.271 284 R C -2.578 173.846 176.300 0.206 0.000 1.687 284 R CA -1.430 54.729 56.100 0.098 0.000 1.655 284 R CB 0.877 31.215 30.300 0.062 0.000 1.285 284 R HN -0.057 nan 8.270 nan 0.000 0.643 285 P HA -0.017 nan 4.420 nan 0.000 0.271 285 P C -0.322 177.002 177.300 0.040 0.000 1.238 285 P CA -0.199 62.990 63.100 0.148 0.000 0.794 285 P CB 0.708 32.456 31.700 0.080 0.000 0.959 286 A N 0.194 122.994 122.820 -0.034 0.000 2.451 286 A HA 0.460 4.780 4.320 0.001 0.000 0.266 286 A C 1.335 178.883 177.584 -0.060 0.000 1.119 286 A CA 0.564 52.573 52.037 -0.046 0.000 0.786 286 A CB -1.423 17.534 19.000 -0.072 0.000 1.061 286 A HN 0.898 nan 8.150 nan 0.000 0.503 287 G N 1.183 109.945 108.800 -0.062 0.000 2.179 287 G HA2 -0.090 3.871 3.960 0.001 0.000 0.220 287 G HA3 -0.090 3.871 3.960 0.001 0.000 0.220 287 G C 0.106 174.919 174.900 -0.144 0.000 0.990 287 G CA 0.043 45.080 45.100 -0.106 0.000 0.646 287 G HN 1.602 nan 8.290 nan 0.000 0.517 288 L N 1.103 122.274 121.223 -0.087 0.000 2.540 288 L HA 0.688 5.029 4.340 0.001 0.000 0.276 288 L C 0.116 176.932 176.870 -0.089 0.000 1.212 288 L CA 0.115 54.906 54.840 -0.082 0.000 0.893 288 L CB 0.954 43.004 42.059 -0.015 0.000 1.138 288 L HN 0.294 nan 8.230 nan 0.000 0.491 289 E N 3.029 123.163 120.200 -0.110 0.000 2.317 289 E HA 0.587 4.938 4.350 0.001 0.000 0.270 289 E C -1.682 174.950 176.600 0.054 0.000 0.885 289 E CA -0.564 55.817 56.400 -0.032 0.000 0.760 289 E CB 2.000 31.655 29.700 -0.075 0.000 1.227 289 E HN 0.337 nan 8.360 nan 0.000 0.434 290 V N 4.198 124.158 119.914 0.077 0.000 2.305 290 V HA 0.245 4.365 4.120 0.001 0.000 0.275 290 V C -0.591 175.560 176.094 0.095 0.000 1.020 290 V CA -0.886 61.459 62.300 0.075 0.000 0.811 290 V CB 1.435 33.284 31.823 0.043 0.000 1.031 290 V HN 0.581 nan 8.190 nan 0.000 0.439 291 V N 5.091 125.073 119.914 0.114 0.000 2.409 291 V HA 0.121 4.241 4.120 0.001 0.000 0.270 291 V C 1.442 177.573 176.094 0.062 0.000 1.019 291 V CA 0.043 62.403 62.300 0.100 0.000 1.066 291 V CB 0.211 32.087 31.823 0.088 0.000 1.021 291 V HN 0.824 nan 8.190 nan 0.000 0.476 292 E N 2.891 123.151 120.200 0.100 0.000 2.072 292 E HA -0.033 4.317 4.350 0.001 0.000 0.190 292 E C 0.336 176.832 176.600 -0.174 0.000 0.982 292 E CA 1.246 57.666 56.400 0.033 0.000 0.803 292 E CB 0.086 29.927 29.700 0.234 0.000 0.755 292 E HN 0.874 nan 8.360 nan 0.000 0.453 293 H N -1.760 117.306 119.070 -0.007 0.000 2.771 293 H HA 0.275 4.832 4.556 0.001 0.000 0.367 293 H C 1.085 176.389 175.328 -0.041 0.000 1.172 293 H CA -0.290 55.745 56.048 -0.022 0.000 1.186 293 H CB 0.995 30.745 29.762 -0.020 0.000 1.790 293 H HN -0.261 nan 8.280 nan 0.000 0.556 294 T N 0.637 115.225 114.554 0.057 0.000 2.592 294 T HA -0.231 4.120 4.350 0.001 0.000 0.267 294 T C 1.395 176.074 174.700 -0.035 0.000 1.060 294 T CA 2.292 64.374 62.100 -0.031 0.000 1.167 294 T CB -0.186 68.655 68.868 -0.044 0.000 0.863 294 T HN 0.598 nan 8.240 nan 0.000 0.431 295 E N 1.137 121.335 120.200 -0.003 0.000 2.065 295 E HA -0.137 4.214 4.350 0.001 0.000 0.201 295 E C 2.344 178.924 176.600 -0.033 0.000 1.016 295 E CA 1.527 57.913 56.400 -0.022 0.000 0.818 295 E CB -0.621 29.069 29.700 -0.017 0.000 0.749 295 E HN 0.546 nan 8.360 nan 0.000 0.453 296 A N 0.213 123.027 122.820 -0.010 0.000 1.930 296 A HA -0.170 4.150 4.320 0.001 0.000 0.217 296 A C 2.289 179.838 177.584 -0.059 0.000 1.175 296 A CA 1.735 53.757 52.037 -0.025 0.000 0.627 296 A CB -0.757 18.250 19.000 0.012 0.000 0.815 296 A HN 0.248 nan 8.150 nan 0.000 0.443 297 S N -0.357 115.317 115.700 -0.043 0.000 2.348 297 S HA -0.211 4.259 4.470 0.001 0.000 0.221 297 S C 2.075 176.607 174.600 -0.112 0.000 1.033 297 S CA 1.908 60.081 58.200 -0.045 0.000 1.010 297 S CB -0.317 62.856 63.200 -0.044 0.000 0.891 297 S HN 0.586 nan 8.310 nan 0.000 0.442 298 K N 0.866 121.180 120.400 -0.143 0.000 2.009 298 K HA -0.038 4.282 4.320 0.001 0.000 0.210 298 K C 2.390 178.904 176.600 -0.143 0.000 1.049 298 K CA 1.230 57.423 56.287 -0.157 0.000 0.929 298 K CB -0.566 31.867 32.500 -0.111 0.000 0.714 298 K HN 0.452 nan 8.250 nan 0.000 0.440 299 A N 1.371 124.123 122.820 -0.113 0.000 2.104 299 A HA -0.198 4.123 4.320 0.001 0.000 0.223 299 A C 1.993 179.503 177.584 -0.123 0.000 1.164 299 A CA 1.415 53.388 52.037 -0.107 0.000 0.659 299 A CB -0.757 18.193 19.000 -0.084 0.000 0.808 299 A HN 0.236 nan 8.150 nan 0.000 0.465 300 L N -0.526 120.617 121.223 -0.133 0.000 2.201 300 L HA -0.168 4.173 4.340 0.001 0.000 0.212 300 L C 2.113 178.945 176.870 -0.065 0.000 1.105 300 L CA 0.859 55.618 54.840 -0.135 0.000 0.775 300 L CB -0.587 41.406 42.059 -0.110 0.000 0.913 300 L HN 0.421 nan 8.230 nan 0.000 0.440 301 N N 0.940 119.584 118.700 -0.094 0.000 2.084 301 N HA -0.177 4.564 4.740 0.001 0.000 0.190 301 N C 1.872 177.300 175.510 -0.136 0.000 1.030 301 N CA 1.458 54.436 53.050 -0.120 0.000 0.849 301 N CB -0.298 37.973 38.487 -0.360 0.000 1.012 301 N HN 0.423 nan 8.380 nan 0.000 0.423 302 R N 1.508 121.911 120.500 -0.161 0.000 2.062 302 R HA 0.237 4.577 4.340 0.001 0.000 0.229 302 R C 1.124 177.387 176.300 -0.061 0.000 1.128 302 R CA 0.773 56.806 56.100 -0.113 0.000 0.960 302 R CB -1.065 29.170 30.300 -0.109 0.000 0.855 302 R HN 0.102 nan 8.270 nan 0.000 0.432 303 A N 3.560 126.345 122.820 -0.058 0.000 2.555 303 A HA 0.212 4.533 4.320 0.001 0.000 0.233 303 A C -1.901 175.675 177.584 -0.013 0.000 1.060 303 A CA -0.779 51.239 52.037 -0.033 0.000 0.759 303 A CB -0.461 18.516 19.000 -0.038 0.000 0.995 303 A HN 0.307 nan 8.150 nan 0.000 0.506 304 P HA 0.371 nan 4.420 nan 0.000 0.281 304 P C 0.444 177.758 177.300 0.024 0.000 1.264 304 P CA 0.021 63.127 63.100 0.010 0.000 0.824 304 P CB 1.085 32.789 31.700 0.007 0.000 1.092 305 G N 1.218 110.031 108.800 0.022 0.000 2.570 305 G HA2 0.359 4.319 3.960 0.001 0.000 0.276 305 G HA3 0.359 4.319 3.960 0.001 0.000 0.276 305 G C -2.166 172.747 174.900 0.022 0.000 1.346 305 G CA -1.000 44.117 45.100 0.027 0.000 1.034 305 G HN 0.453 nan 8.290 nan 0.000 0.512 306 P HA 0.394 nan 4.420 nan 0.000 0.276 306 P C -0.495 176.824 177.300 0.033 0.000 1.252 306 P CA 0.032 63.137 63.100 0.009 0.000 0.802 306 P CB 1.302 32.996 31.700 -0.010 0.000 1.035 307 M N -1.445 118.172 119.600 0.029 0.000 2.822 307 M HA 0.452 4.933 4.480 0.001 0.000 0.275 307 M C -2.179 174.140 176.300 0.033 0.000 1.084 307 M CA -0.944 54.397 55.300 0.069 0.000 0.814 307 M CB 1.284 33.995 32.600 0.184 0.000 1.693 307 M HN -0.081 nan 8.290 nan 0.000 0.531 308 V N 2.062 121.997 119.914 0.035 0.000 2.487 308 V HA 0.775 4.896 4.120 0.001 0.000 0.298 308 V C -0.833 175.284 176.094 0.039 0.000 1.028 308 V CA -0.628 61.672 62.300 -0.000 0.000 0.860 308 V CB 1.914 33.721 31.823 -0.027 0.000 0.991 308 V HN 0.706 nan 8.190 nan 0.000 0.427 309 V N 6.355 126.257 119.914 -0.020 0.000 2.555 309 V HA 0.572 4.693 4.120 0.001 0.000 0.302 309 V C -0.461 175.569 176.094 -0.106 0.000 1.038 309 V CA -0.556 61.695 62.300 -0.081 0.000 0.887 309 V CB 2.021 33.677 31.823 -0.279 0.000 0.991 309 V HN 0.625 nan 8.190 nan 0.000 0.434 310 L N 4.201 125.372 121.223 -0.087 0.000 2.381 310 L HA 0.948 5.289 4.340 0.001 0.000 0.274 310 L C -0.199 176.626 176.870 -0.074 0.000 0.988 310 L CA -0.372 54.426 54.840 -0.070 0.000 0.824 310 L CB 1.816 43.854 42.059 -0.034 0.000 1.263 310 L HN 0.822 nan 8.230 nan 0.000 0.410 311 A N 2.146 124.925 122.820 -0.069 0.000 2.601 311 A HA 0.874 5.195 4.320 0.001 0.000 0.291 311 A C -0.790 176.776 177.584 -0.029 0.000 1.075 311 A CA -0.004 52.017 52.037 -0.026 0.000 0.671 311 A CB 1.610 20.622 19.000 0.019 0.000 1.277 311 A HN 0.728 nan 8.150 nan 0.000 0.417 312 G N -0.337 108.455 108.800 -0.015 0.000 3.209 312 G HA2 0.700 4.660 3.960 0.001 0.000 0.236 312 G HA3 0.700 4.660 3.960 0.001 0.000 0.236 312 G C 0.349 175.250 174.900 0.001 0.000 1.329 312 G CA 0.289 45.361 45.100 -0.046 0.000 1.015 312 G HN 1.960 nan 8.290 nan 0.000 0.571 313 S N -1.227 114.471 115.700 -0.003 0.000 2.572 313 S HA 0.311 4.782 4.470 0.001 0.000 0.267 313 S C 1.635 176.127 174.600 -0.180 0.000 1.361 313 S CA 0.510 58.681 58.200 -0.050 0.000 1.009 313 S CB 1.001 64.207 63.200 0.010 0.000 0.888 313 S HN 1.336 nan 8.310 nan 0.000 0.553 314 G N 0.078 108.588 108.800 -0.484 0.000 2.534 314 G HA2 0.043 4.004 3.960 0.001 0.000 0.217 314 G HA3 0.043 4.004 3.960 0.001 0.000 0.217 314 G C 0.667 175.274 174.900 -0.489 0.000 1.128 314 G CA 0.138 44.701 45.100 -0.895 0.000 0.784 314 G HN 0.684 nan 8.290 nan 0.000 0.542 315 M N 0.903 120.375 119.600 -0.214 0.000 3.080 315 M HA 0.361 4.842 4.480 0.001 0.000 0.288 315 M C 0.341 176.657 176.300 0.026 0.000 1.224 315 M CA -0.279 55.013 55.300 -0.014 0.000 0.787 315 M CB 0.630 33.294 32.600 0.108 0.000 1.368 315 M HN -0.028 nan 8.290 nan 0.000 0.511 316 L N -0.234 121.010 121.223 0.036 0.000 4.274 316 L HA -0.306 4.034 4.340 0.001 0.000 0.464 316 L C 1.132 178.030 176.870 0.047 0.000 1.061 316 L CA 0.662 55.537 54.840 0.058 0.000 0.979 316 L CB -1.625 40.493 42.059 0.099 0.000 1.818 316 L HN 0.644 nan 8.230 nan 0.000 1.105 317 A N 0.671 123.518 122.820 0.045 0.000 2.916 317 A HA 0.533 4.853 4.320 0.001 0.000 0.254 317 A C 1.245 178.861 177.584 0.053 0.000 1.544 317 A CA 0.815 52.884 52.037 0.052 0.000 1.224 317 A CB -0.562 18.479 19.000 0.068 0.000 1.012 317 A HN 1.023 nan 8.150 nan 0.000 0.636 318 G N -1.657 107.174 108.800 0.052 0.000 2.434 318 G HA2 0.539 4.500 3.960 0.001 0.000 0.671 318 G HA3 0.539 4.500 3.960 0.001 0.000 0.671 318 G C 0.521 175.462 174.900 0.067 0.000 1.280 318 G CA -0.057 45.080 45.100 0.060 0.000 0.975 318 G HN 2.533 nan 8.290 nan 0.000 0.510 319 G N -1.247 107.599 108.800 0.076 0.000 2.757 319 G HA2 0.088 4.049 3.960 0.001 0.000 0.638 319 G HA3 0.088 4.049 3.960 0.001 0.000 0.638 319 G C 0.772 175.729 174.900 0.096 0.000 1.344 319 G CA 0.691 45.829 45.100 0.063 0.000 0.855 319 G HN 1.431 nan 8.290 nan 0.000 0.537 320 R N -0.614 119.917 120.500 0.052 0.000 2.159 320 R HA -0.076 4.265 4.340 0.001 0.000 0.237 320 R C 2.679 179.105 176.300 0.211 0.000 1.131 320 R CA 1.581 57.713 56.100 0.054 0.000 0.982 320 R CB -0.270 30.066 30.300 0.060 0.000 0.868 320 R HN 0.538 nan 8.270 nan 0.000 0.453 321 I N 1.228 121.921 120.570 0.206 0.000 2.423 321 I HA -0.250 3.921 4.170 0.001 0.000 0.254 321 I C 1.753 177.975 176.117 0.175 0.000 1.151 321 I CA 1.417 62.846 61.300 0.215 0.000 1.421 321 I CB -0.008 38.042 38.000 0.084 0.000 1.079 321 I HN 0.123 nan 8.210 nan 0.000 0.431 322 L N -0.560 120.750 121.223 0.145 0.000 2.027 322 L HA -0.236 4.105 4.340 0.001 0.000 0.206 322 L C 2.593 179.489 176.870 0.042 0.000 1.074 322 L CA 1.514 56.401 54.840 0.079 0.000 0.745 322 L CB -1.199 40.893 42.059 0.055 0.000 0.898 322 L HN 0.362 nan 8.230 nan 0.000 0.433 323 H N -1.076 117.965 119.070 -0.047 0.000 2.387 323 H HA -0.159 4.397 4.556 0.001 0.000 0.299 323 H C 2.274 177.571 175.328 -0.051 0.000 1.099 323 H CA 1.426 57.432 56.048 -0.070 0.000 1.315 323 H CB -0.030 29.644 29.762 -0.146 0.000 1.380 323 H HN 0.466 nan 8.280 nan 0.000 0.513 324 H N 0.051 119.227 119.070 0.177 0.000 2.423 324 H HA -0.087 4.470 4.556 0.001 0.000 0.297 324 H C 2.353 177.720 175.328 0.064 0.000 1.075 324 H CA 0.609 56.719 56.048 0.104 0.000 1.342 324 H CB 0.051 29.838 29.762 0.042 0.000 1.395 324 H HN 0.185 nan 8.280 nan 0.000 0.530 325 L N 1.085 122.385 121.223 0.128 0.000 2.044 325 L HA -0.111 4.230 4.340 0.001 0.000 0.205 325 L C 2.628 179.484 176.870 -0.024 0.000 1.075 325 L CA 1.467 56.331 54.840 0.040 0.000 0.747 325 L CB -0.634 41.436 42.059 0.019 0.000 0.903 325 L HN 0.089 nan 8.230 nan 0.000 0.435 326 K N -1.220 119.118 120.400 -0.102 0.000 2.089 326 K HA -0.225 4.096 4.320 0.001 0.000 0.210 326 K C 1.767 178.166 176.600 -0.336 0.000 1.048 326 K CA 1.686 57.812 56.287 -0.269 0.000 0.926 326 K CB -0.100 32.138 32.500 -0.438 0.000 0.714 326 K HN 0.470 nan 8.250 nan 0.000 0.448 327 H N -2.244 116.815 119.070 -0.018 0.000 2.551 327 H HA 0.143 4.700 4.556 0.001 0.000 0.271 327 H C 1.539 176.870 175.328 0.005 0.000 0.984 327 H CA 0.814 56.857 56.048 -0.009 0.000 1.164 327 H CB 1.054 30.810 29.762 -0.010 0.000 1.437 327 H HN 0.447 nan 8.280 nan 0.000 0.550 328 G N 0.482 109.336 108.800 0.091 0.000 2.720 328 G HA2 -0.035 3.926 3.960 0.001 0.000 0.204 328 G HA3 -0.035 3.926 3.960 0.001 0.000 0.204 328 G C 1.449 176.362 174.900 0.022 0.000 1.113 328 G CA -0.190 44.948 45.100 0.063 0.000 0.805 328 G HN 0.069 nan 8.290 nan 0.000 0.536 329 L N 2.839 124.063 121.223 0.002 0.000 2.261 329 L HA -0.074 4.267 4.340 0.001 0.000 0.216 329 L C 3.028 179.893 176.870 -0.009 0.000 1.114 329 L CA 1.932 56.766 54.840 -0.010 0.000 0.777 329 L CB -1.073 40.975 42.059 -0.018 0.000 0.910 329 L HN 0.448 nan 8.230 nan 0.000 0.440 330 S N -1.817 113.880 115.700 -0.005 0.000 2.377 330 S HA -0.081 4.390 4.470 0.001 0.000 0.223 330 S C 1.013 175.614 174.600 0.003 0.000 1.030 330 S CA 0.029 58.227 58.200 -0.004 0.000 0.970 330 S CB -0.254 62.944 63.200 -0.004 0.000 0.830 330 S HN 0.410 nan 8.310 nan 0.000 0.473 331 D N 3.628 124.034 120.400 0.010 0.000 2.383 331 D HA 0.195 4.836 4.640 0.001 0.000 0.252 331 D C -1.587 174.716 176.300 0.005 0.000 1.166 331 D CA -2.123 51.883 54.000 0.010 0.000 0.879 331 D CB 1.557 42.366 40.800 0.015 0.000 1.164 331 D HN 0.128 nan 8.370 nan 0.000 0.462 332 P HA 0.004 nan 4.420 nan 0.000 0.245 332 P C 0.711 178.014 177.300 0.005 0.000 1.212 332 P CA 0.334 63.435 63.100 0.001 0.000 0.774 332 P CB 0.375 32.075 31.700 0.000 0.000 0.999 333 R N -0.978 119.525 120.500 0.005 0.000 2.297 333 R HA 0.119 4.459 4.340 0.001 0.000 0.197 333 R C 0.489 176.791 176.300 0.004 0.000 0.943 333 R CA 0.031 56.134 56.100 0.004 0.000 1.038 333 R CB -0.152 30.149 30.300 0.002 0.000 0.957 333 R HN 0.241 nan 8.270 nan 0.000 0.484 334 N N 0.742 119.445 118.700 0.006 0.000 2.434 334 N HA 0.364 5.105 4.740 0.001 0.000 0.266 334 N C -0.840 174.677 175.510 0.013 0.000 1.223 334 N CA -0.169 52.883 53.050 0.004 0.000 0.972 334 N CB 1.343 39.833 38.487 0.005 0.000 1.207 334 N HN 0.034 nan 8.380 nan 0.000 0.525 335 A N 0.705 123.530 122.820 0.009 0.000 2.375 335 A HA 0.435 4.755 4.320 0.001 0.000 0.295 335 A C -0.991 176.597 177.584 0.007 0.000 1.066 335 A CA -0.634 51.434 52.037 0.052 0.000 0.722 335 A CB 0.714 19.763 19.000 0.083 0.000 1.206 335 A HN 0.605 nan 8.150 nan 0.000 0.435 336 L N 3.749 124.960 121.223 -0.020 0.000 2.265 336 L HA 0.654 4.994 4.340 0.001 0.000 0.288 336 L C -1.235 175.557 176.870 -0.130 0.000 1.058 336 L CA -0.526 54.220 54.840 -0.156 0.000 0.809 336 L CB 1.204 43.124 42.059 -0.231 0.000 1.179 336 L HN 0.470 nan 8.230 nan 0.000 0.429 337 V N 5.396 125.199 119.914 -0.184 0.000 2.443 337 V HA 0.364 4.484 4.120 0.001 0.000 0.293 337 V C -0.427 175.599 176.094 -0.113 0.000 1.021 337 V CA -0.528 61.753 62.300 -0.032 0.000 0.848 337 V CB 1.507 33.355 31.823 0.042 0.000 0.998 337 V HN 0.453 nan 8.190 nan 0.000 0.424 338 F N 3.806 123.842 119.950 0.144 0.000 2.385 338 F HA 0.540 5.068 4.527 0.001 0.000 0.336 338 F C 0.753 176.651 175.800 0.163 0.000 1.100 338 F CA -0.525 57.544 58.000 0.114 0.000 1.116 338 F CB 1.918 40.974 39.000 0.094 0.000 1.166 338 F HN 0.364 nan 8.300 nan 0.000 0.511 339 V N 0.198 120.311 119.914 0.331 0.000 2.841 339 V HA 0.817 4.938 4.120 0.001 0.000 0.363 339 V C -0.090 176.186 176.094 0.304 0.000 1.330 339 V CA -0.027 62.443 62.300 0.283 0.000 1.207 339 V CB 0.024 31.829 31.823 -0.029 0.000 1.318 339 V HN 0.888 nan 8.190 nan 0.000 0.603 340 G N -0.594 108.403 108.800 0.329 0.000 2.579 340 G HA2 0.430 4.391 3.960 0.001 0.000 0.292 340 G HA3 0.430 4.391 3.960 0.001 0.000 0.292 340 G C -1.742 173.357 174.900 0.332 0.000 1.484 340 G CA -0.837 44.482 45.100 0.366 0.000 0.813 340 G HN 0.446 nan 8.290 nan 0.000 0.515 341 Y N 1.326 121.785 120.300 0.265 0.000 2.526 341 Y HA 0.442 4.993 4.550 0.001 0.000 0.330 341 Y C 0.048 176.012 175.900 0.107 0.000 1.156 341 Y CA 0.093 58.310 58.100 0.196 0.000 1.419 341 Y CB 0.897 39.521 38.460 0.274 0.000 1.250 341 Y HN 0.308 nan 8.280 nan 0.000 0.540 342 Q N 8.917 128.359 119.800 -0.597 0.000 2.314 342 Q HA 0.329 4.670 4.340 0.001 0.000 0.259 342 Q C -2.345 173.112 176.000 -0.905 0.000 0.951 342 Q CA -2.322 53.138 55.803 -0.572 0.000 0.909 342 Q CB 1.245 29.607 28.738 -0.628 0.000 1.236 342 Q HN 0.585 nan 8.270 nan 0.000 0.444 343 P HA -0.033 nan 4.420 nan 0.000 0.269 343 P C -0.508 176.659 177.300 -0.222 0.000 1.217 343 P CA -0.130 62.814 63.100 -0.260 0.000 0.783 343 P CB 0.965 32.715 31.700 0.083 0.000 0.898 344 Q N -0.264 119.483 119.800 -0.088 0.000 2.293 344 Q HA 0.407 4.748 4.340 0.001 0.000 0.251 344 Q C 1.121 177.105 176.000 -0.028 0.000 0.930 344 Q CA 0.823 56.589 55.803 -0.062 0.000 0.893 344 Q CB 0.231 28.966 28.738 -0.005 0.000 1.215 344 Q HN 0.841 nan 8.270 nan 0.000 0.425 345 G N 1.726 110.506 108.800 -0.035 0.000 2.157 345 G HA2 -0.198 3.763 3.960 0.001 0.000 0.239 345 G HA3 -0.198 3.763 3.960 0.001 0.000 0.239 345 G C 0.160 175.050 174.900 -0.016 0.000 0.982 345 G CA -0.230 44.860 45.100 -0.016 0.000 0.650 345 G HN 0.879 nan 8.290 nan 0.000 0.527 346 G N -1.453 107.327 108.800 -0.033 0.000 2.667 346 G HA2 0.662 4.623 3.960 0.001 0.000 0.310 346 G HA3 0.662 4.623 3.960 0.001 0.000 0.310 346 G C 0.927 175.811 174.900 -0.027 0.000 1.259 346 G CA -0.025 45.062 45.100 -0.022 0.000 1.019 346 G HN 0.755 nan 8.290 nan 0.000 0.496 347 L N 0.929 122.150 121.223 -0.004 0.000 2.081 347 L HA 0.012 4.353 4.340 0.001 0.000 0.212 347 L C 2.666 179.550 176.870 0.024 0.000 1.080 347 L CA 2.893 57.741 54.840 0.013 0.000 0.754 347 L CB -0.953 41.125 42.059 0.031 0.000 0.893 347 L HN 0.626 nan 8.230 nan 0.000 0.433 348 G N -1.212 107.585 108.800 -0.005 0.000 2.459 348 G HA2 -0.267 3.693 3.960 0.001 0.000 0.217 348 G HA3 -0.267 3.693 3.960 0.001 0.000 0.217 348 G C 1.612 176.424 174.900 -0.147 0.000 1.183 348 G CA 1.013 46.073 45.100 -0.067 0.000 0.776 348 G HN 0.645 nan 8.290 nan 0.000 0.552 349 A N 0.720 123.439 122.820 -0.168 0.000 1.877 349 A HA -0.061 4.260 4.320 0.001 0.000 0.216 349 A C 2.171 179.717 177.584 -0.063 0.000 1.186 349 A CA 2.094 54.048 52.037 -0.138 0.000 0.620 349 A CB -0.610 18.314 19.000 -0.128 0.000 0.822 349 A HN 0.500 nan 8.150 nan 0.000 0.443 350 E N -0.181 119.996 120.200 -0.037 0.000 2.097 350 E HA -0.218 4.132 4.350 0.001 0.000 0.196 350 E C 1.868 178.470 176.600 0.003 0.000 1.000 350 E CA 1.632 58.023 56.400 -0.014 0.000 0.804 350 E CB -0.245 29.451 29.700 -0.006 0.000 0.740 350 E HN 0.685 nan 8.360 nan 0.000 0.454 351 I N 0.392 120.978 120.570 0.026 0.000 2.286 351 I HA -0.240 3.931 4.170 0.001 0.000 0.245 351 I C 2.326 178.480 176.117 0.061 0.000 1.104 351 I CA 0.756 62.093 61.300 0.062 0.000 1.397 351 I CB -0.182 37.903 38.000 0.141 0.000 1.072 351 I HN 0.168 nan 8.210 nan 0.000 0.417 352 I N 1.032 121.628 120.570 0.044 0.000 2.335 352 I HA -0.303 3.868 4.170 0.001 0.000 0.251 352 I C 2.767 178.890 176.117 0.010 0.000 1.129 352 I CA 1.322 62.639 61.300 0.030 0.000 1.402 352 I CB -0.571 37.401 38.000 -0.047 0.000 1.069 352 I HN 0.179 nan 8.210 nan 0.000 0.424 353 A N 0.358 123.176 122.820 -0.003 0.000 1.841 353 A HA -0.197 4.124 4.320 0.001 0.000 0.216 353 A C 1.706 179.291 177.584 0.002 0.000 1.199 353 A CA 1.949 53.984 52.037 -0.003 0.000 0.621 353 A CB -0.278 18.718 19.000 -0.007 0.000 0.835 353 A HN 0.476 nan 8.150 nan 0.000 0.445 354 R N -2.058 118.445 120.500 0.005 0.000 3.005 354 R HA -0.071 4.270 4.340 0.001 0.000 0.285 354 R C -2.625 173.675 176.300 -0.001 0.000 1.084 354 R CA 0.633 56.735 56.100 0.003 0.000 0.720 354 R CB -2.548 27.752 30.300 -0.001 0.000 1.505 354 R HN 0.530 nan 8.270 nan 0.000 0.401 355 P HA 0.147 nan 4.420 nan 0.000 0.274 355 P C -1.824 175.473 177.300 -0.005 0.000 1.264 355 P CA -0.729 62.369 63.100 -0.003 0.000 0.795 355 P CB 0.419 32.117 31.700 -0.004 0.000 1.064 356 P HA 0.011 nan 4.420 nan 0.000 0.219 356 P C 0.255 177.549 177.300 -0.010 0.000 1.150 356 P CA 1.289 64.385 63.100 -0.007 0.000 0.814 356 P CB 0.210 31.905 31.700 -0.007 0.000 0.787 357 A N -1.003 121.810 122.820 -0.011 0.000 2.572 357 A HA 0.619 4.939 4.320 0.001 0.000 0.295 357 A C -1.252 176.323 177.584 -0.015 0.000 1.072 357 A CA -0.511 51.517 52.037 -0.015 0.000 0.691 357 A CB 1.887 20.876 19.000 -0.018 0.000 1.291 357 A HN -0.131 nan 8.150 nan 0.000 0.404 358 V N 1.045 120.947 119.914 -0.019 0.000 2.914 358 V HA 0.597 4.718 4.120 0.001 0.000 0.314 358 V C 0.055 176.131 176.094 -0.030 0.000 1.084 358 V CA -0.754 61.536 62.300 -0.018 0.000 0.963 358 V CB 1.993 33.810 31.823 -0.010 0.000 1.025 358 V HN 0.936 nan 8.190 nan 0.000 0.432 359 R N 3.367 123.849 120.500 -0.030 0.000 2.265 359 R HA 0.733 5.074 4.340 0.001 0.000 0.319 359 R C -1.496 174.774 176.300 -0.049 0.000 1.006 359 R CA -0.358 55.718 56.100 -0.041 0.000 0.880 359 R CB 0.804 31.085 30.300 -0.033 0.000 1.077 359 R HN 0.699 nan 8.270 nan 0.000 0.454 360 I N 5.742 126.267 120.570 -0.075 0.000 2.512 360 I HA 0.175 4.346 4.170 0.001 0.000 0.287 360 I C -0.664 175.376 176.117 -0.130 0.000 1.069 360 I CA -1.058 60.185 61.300 -0.094 0.000 1.056 360 I CB 1.983 39.919 38.000 -0.106 0.000 1.229 360 I HN 0.584 nan 8.210 nan 0.000 0.429 361 L N 6.775 127.926 121.223 -0.119 0.000 3.823 361 L HA -0.210 4.131 4.340 0.001 0.000 0.525 361 L C 1.323 178.128 176.870 -0.108 0.000 1.247 361 L CA 1.390 56.149 54.840 -0.135 0.000 0.776 361 L CB -2.056 39.855 42.059 -0.247 0.000 1.443 361 L HN 1.116 nan 8.230 nan 0.000 0.831 362 G N -1.097 107.659 108.800 -0.073 0.000 2.189 362 G HA2 -0.318 3.642 3.960 0.001 0.000 0.267 362 G HA3 -0.318 3.642 3.960 0.001 0.000 0.267 362 G C 0.278 175.143 174.900 -0.059 0.000 0.975 362 G CA 0.709 45.776 45.100 -0.056 0.000 0.644 362 G HN 0.611 nan 8.290 nan 0.000 0.537 363 E N -0.318 119.835 120.200 -0.078 0.000 2.266 363 E HA 0.610 4.961 4.350 0.001 0.000 0.268 363 E C -0.588 175.968 176.600 -0.073 0.000 0.879 363 E CA -0.826 55.528 56.400 -0.078 0.000 0.762 363 E CB 1.196 30.831 29.700 -0.107 0.000 1.199 363 E HN 0.167 nan 8.360 nan 0.000 0.422 364 E N 1.934 122.101 120.200 -0.056 0.000 2.194 364 E HA 0.361 4.712 4.350 0.001 0.000 0.284 364 E C -1.425 175.143 176.600 -0.053 0.000 1.035 364 E CA -0.433 55.939 56.400 -0.047 0.000 0.836 364 E CB 1.132 30.812 29.700 -0.033 0.000 1.070 364 E HN 0.233 nan 8.360 nan 0.000 0.401 365 V N 5.028 124.910 119.914 -0.054 0.000 2.531 365 V HA 0.633 4.754 4.120 0.001 0.000 0.301 365 V C -2.665 173.407 176.094 -0.037 0.000 1.034 365 V CA -2.684 59.582 62.300 -0.056 0.000 0.865 365 V CB 1.834 33.606 31.823 -0.086 0.000 0.995 365 V HN 0.611 nan 8.190 nan 0.000 0.424 366 P HA 0.116 nan 4.420 nan 0.000 0.265 366 P C -0.831 176.458 177.300 -0.018 0.000 1.187 366 P CA 0.046 63.134 63.100 -0.020 0.000 0.766 366 P CB 0.379 32.070 31.700 -0.015 0.000 0.820 367 L N 4.731 125.946 121.223 -0.014 0.000 2.321 367 L HA 0.299 4.640 4.340 0.001 0.000 0.272 367 L C 0.712 177.575 176.870 -0.012 0.000 1.050 367 L CA 0.411 55.243 54.840 -0.012 0.000 0.893 367 L CB -0.148 41.907 42.059 -0.008 0.000 1.272 367 L HN 0.263 nan 8.230 nan 0.000 0.435 368 R N 2.978 123.471 120.500 -0.012 0.000 2.316 368 R HA 0.463 4.804 4.340 0.001 0.000 0.201 368 R C 0.689 176.981 176.300 -0.013 0.000 0.888 368 R CA 0.233 56.327 56.100 -0.011 0.000 1.041 368 R CB 0.341 30.637 30.300 -0.007 0.000 1.115 368 R HN 0.630 nan 8.270 nan 0.000 0.559 369 A N 1.890 124.702 122.820 -0.013 0.000 2.425 369 A HA 0.267 4.587 4.320 0.001 0.000 0.242 369 A C 0.420 177.984 177.584 -0.032 0.000 1.077 369 A CA -0.289 51.740 52.037 -0.014 0.000 0.781 369 A CB 0.335 19.328 19.000 -0.012 0.000 1.020 369 A HN 0.318 nan 8.150 nan 0.000 0.494 370 S N 0.252 115.933 115.700 -0.032 0.000 2.576 370 S HA 0.490 4.961 4.470 0.001 0.000 0.276 370 S C -0.189 174.292 174.600 -0.198 0.000 1.339 370 S CA -0.624 57.506 58.200 -0.117 0.000 1.039 370 S CB 0.957 64.119 63.200 -0.063 0.000 0.902 370 S HN 0.754 nan 8.310 nan 0.000 0.516 371 V N 3.563 123.277 119.914 -0.334 0.000 2.540 371 V HA 0.476 4.596 4.120 0.001 0.000 0.302 371 V C -0.506 175.333 176.094 -0.425 0.000 1.035 371 V CA -0.629 61.536 62.300 -0.226 0.000 0.873 371 V CB 1.410 33.215 31.823 -0.029 0.000 0.992 371 V HN 0.935 nan 8.190 nan 0.000 0.428 372 H N 1.844 120.969 119.070 0.093 0.000 2.637 372 H HA 0.571 5.128 4.556 0.001 0.000 0.363 372 H C -0.932 174.544 175.328 0.246 0.000 1.131 372 H CA -0.537 55.590 56.048 0.130 0.000 1.183 372 H CB 2.545 32.356 29.762 0.083 0.000 1.637 372 H HN 0.532 nan 8.280 nan 0.000 0.531 373 T N 3.767 118.527 114.554 0.344 0.000 2.847 373 T HA 0.354 4.705 4.350 0.001 0.000 0.291 373 T C 0.235 175.104 174.700 0.281 0.000 0.998 373 T CA -0.654 61.650 62.100 0.340 0.000 0.967 373 T CB 0.503 69.505 68.868 0.222 0.000 0.954 373 T HN 0.283 nan 8.240 nan 0.000 0.441 374 L N 2.936 124.353 121.223 0.323 0.000 2.387 374 L HA 0.432 4.773 4.340 0.001 0.000 0.259 374 L C 1.551 178.575 176.870 0.256 0.000 1.050 374 L CA -0.777 54.230 54.840 0.278 0.000 0.922 374 L CB 0.936 43.228 42.059 0.388 0.000 1.280 374 L HN 0.870 nan 8.230 nan 0.000 0.449 375 G N 1.054 109.961 108.800 0.178 0.000 2.679 375 G HA2 -0.102 3.859 3.960 0.001 0.000 0.212 375 G HA3 -0.102 3.859 3.960 0.001 0.000 0.212 375 G C 1.365 176.273 174.900 0.014 0.000 1.137 375 G CA 0.696 45.878 45.100 0.136 0.000 0.787 375 G HN 0.733 nan 8.290 nan 0.000 0.534 376 G N 0.926 109.721 108.800 -0.007 0.000 2.469 376 G HA2 -0.215 3.745 3.960 0.001 0.000 0.219 376 G HA3 -0.215 3.745 3.960 0.001 0.000 0.219 376 G C 1.241 176.070 174.900 -0.119 0.000 1.150 376 G CA 0.257 45.286 45.100 -0.117 0.000 0.763 376 G HN 0.415 nan 8.290 nan 0.000 0.561 377 F N 1.705 121.667 119.950 0.021 0.000 2.772 377 F HA 0.194 4.721 4.527 0.001 0.000 0.301 377 F C 1.790 177.608 175.800 0.029 0.000 1.250 377 F CA -0.012 58.031 58.000 0.071 0.000 1.441 377 F CB -0.078 38.941 39.000 0.032 0.000 1.112 377 F HN 0.008 nan 8.300 nan 0.000 0.563 378 S N 0.201 115.892 115.700 -0.015 0.000 2.562 378 S HA 0.256 4.726 4.470 0.001 0.000 0.281 378 S C 1.277 175.828 174.600 -0.082 0.000 1.333 378 S CA -0.072 58.016 58.200 -0.186 0.000 1.052 378 S CB 1.023 63.676 63.200 -0.911 0.000 0.884 378 S HN 0.383 nan 8.310 nan 0.000 0.506 379 G N 2.414 111.236 108.800 0.036 0.000 3.371 379 G HA2 0.557 4.517 3.960 0.001 0.000 0.248 379 G HA3 0.557 4.517 3.960 0.001 0.000 0.248 379 G C 0.042 175.067 174.900 0.209 0.000 1.161 379 G CA 0.270 45.433 45.100 0.105 0.000 0.796 379 G HN 0.981 nan 8.290 nan 0.000 0.539 380 A N -0.284 122.602 122.820 0.109 0.000 2.413 380 A HA 0.851 5.171 4.320 0.001 0.000 0.307 380 A C 0.247 177.885 177.584 0.090 0.000 1.087 380 A CA -0.200 51.895 52.037 0.098 0.000 0.750 380 A CB 1.145 20.253 19.000 0.181 0.000 1.296 380 A HN 0.971 nan 8.150 nan 0.000 0.423 381 A N 0.731 123.532 122.820 -0.032 0.000 2.548 381 A HA 0.478 4.798 4.320 0.001 0.000 0.247 381 A C 0.955 178.434 177.584 -0.174 0.000 1.067 381 A CA 0.622 52.605 52.037 -0.090 0.000 0.757 381 A CB -0.581 18.317 19.000 -0.170 0.000 0.996 381 A HN 1.857 nan 8.150 nan 0.000 0.504 382 G N 0.516 109.105 108.800 -0.351 0.000 2.634 382 G HA2 0.306 4.267 3.960 0.001 0.000 0.255 382 G HA3 0.306 4.267 3.960 0.001 0.000 0.255 382 G C 0.737 175.497 174.900 -0.232 0.000 1.205 382 G CA 0.331 45.049 45.100 -0.636 0.000 0.884 382 G HN 0.987 nan 8.290 nan 0.000 0.549 383 Q N -0.254 119.457 119.800 -0.148 0.000 2.077 383 Q HA -0.231 4.110 4.340 0.001 0.000 0.206 383 Q C 1.964 177.939 176.000 -0.042 0.000 0.989 383 Q CA 2.471 58.246 55.803 -0.046 0.000 0.853 383 Q CB -0.215 28.515 28.738 -0.013 0.000 0.907 383 Q HN 0.712 nan 8.270 nan 0.000 0.418 384 D N 0.183 120.550 120.400 -0.054 0.000 2.123 384 D HA -0.229 4.411 4.640 0.001 0.000 0.196 384 D C 1.436 177.726 176.300 -0.018 0.000 0.992 384 D CA 1.812 55.795 54.000 -0.028 0.000 0.833 384 D CB -0.612 40.173 40.800 -0.026 0.000 0.954 384 D HN 0.547 nan 8.370 nan 0.000 0.455 385 E N -0.396 119.779 120.200 -0.040 0.000 2.106 385 E HA -0.092 4.259 4.350 0.001 0.000 0.192 385 E C 2.049 178.650 176.600 0.001 0.000 0.984 385 E CA 0.215 56.601 56.400 -0.023 0.000 0.806 385 E CB -0.060 29.605 29.700 -0.058 0.000 0.750 385 E HN 0.117 nan 8.360 nan 0.000 0.458 386 L N 0.782 121.991 121.223 -0.025 0.000 2.027 386 L HA -0.157 4.184 4.340 0.001 0.000 0.206 386 L C 2.100 179.011 176.870 0.068 0.000 1.074 386 L CA 1.496 56.333 54.840 -0.004 0.000 0.745 386 L CB -0.579 41.466 42.059 -0.022 0.000 0.898 386 L HN 0.152 nan 8.230 nan 0.000 0.433 387 L N -0.979 120.269 121.223 0.041 0.000 1.976 387 L HA -0.259 4.081 4.340 0.001 0.000 0.209 387 L C 2.281 179.185 176.870 0.056 0.000 1.071 387 L CA 1.504 56.369 54.840 0.043 0.000 0.746 387 L CB -0.852 41.219 42.059 0.020 0.000 0.890 387 L HN 0.238 nan 8.230 nan 0.000 0.432 388 D N -0.796 119.635 120.400 0.052 0.000 2.157 388 D HA -0.281 4.360 4.640 0.001 0.000 0.191 388 D C 1.701 178.052 176.300 0.084 0.000 1.004 388 D CA 1.451 55.482 54.000 0.051 0.000 0.854 388 D CB -0.368 40.461 40.800 0.049 0.000 0.936 388 D HN 0.425 nan 8.370 nan 0.000 0.446 389 W N 0.356 121.604 121.300 -0.087 0.000 2.388 389 W HA -0.080 4.580 4.660 0.001 0.000 0.294 389 W C 1.709 178.153 176.519 -0.124 0.000 1.212 389 W CA 0.548 57.820 57.345 -0.122 0.000 1.271 389 W CB -0.106 29.259 29.460 -0.157 0.000 1.126 389 W HN -0.084 nan 8.180 nan 0.000 0.535 390 L N 0.855 122.167 121.223 0.150 0.000 2.492 390 L HA 0.017 4.358 4.340 0.001 0.000 0.223 390 L C 1.476 178.310 176.870 -0.060 0.000 1.132 390 L CA 1.016 55.874 54.840 0.028 0.000 0.850 390 L CB -1.684 40.432 42.059 0.095 0.000 0.966 390 L HN -0.058 nan 8.230 nan 0.000 0.454 391 Q N 0.544 120.313 119.800 -0.053 0.000 2.308 391 Q HA 0.026 4.367 4.340 0.001 0.000 0.313 391 Q C 1.262 177.207 176.000 -0.092 0.000 1.075 391 Q CA 1.354 57.121 55.803 -0.059 0.000 0.995 391 Q CB 0.257 28.966 28.738 -0.048 0.000 1.107 391 Q HN 0.559 nan 8.270 nan 0.000 0.380 392 G N 4.009 112.768 108.800 -0.068 0.000 2.253 392 G HA2 -0.219 3.741 3.960 0.001 0.000 0.251 392 G HA3 -0.219 3.741 3.960 0.001 0.000 0.251 392 G C -0.196 174.659 174.900 -0.076 0.000 0.998 392 G CA 0.304 45.361 45.100 -0.072 0.000 0.621 392 G HN 0.630 nan 8.290 nan 0.000 0.524 393 E N 1.524 121.671 120.200 -0.088 0.000 2.316 393 E HA 0.244 4.595 4.350 0.001 0.000 0.275 393 E C -1.030 175.541 176.600 -0.048 0.000 1.029 393 E CA -1.032 55.319 56.400 -0.081 0.000 0.871 393 E CB 1.700 31.340 29.700 -0.101 0.000 1.022 393 E HN 0.319 nan 8.360 nan 0.000 0.418 394 P HA -0.070 nan 4.420 nan 0.000 0.220 394 P C -0.051 177.237 177.300 -0.021 0.000 1.152 394 P CA 0.945 64.028 63.100 -0.028 0.000 0.812 394 P CB 0.704 32.388 31.700 -0.027 0.000 0.792 395 R N -0.240 120.248 120.500 -0.021 0.000 2.532 395 R HA 0.582 4.923 4.340 0.001 0.000 0.297 395 R C -1.321 174.974 176.300 -0.008 0.000 0.984 395 R CA -0.679 55.413 56.100 -0.014 0.000 0.884 395 R CB 2.791 33.082 30.300 -0.015 0.000 1.182 395 R HN -0.199 nan 8.270 nan 0.000 0.442 396 V N 3.509 123.423 119.914 -0.000 0.000 2.482 396 V HA 0.290 4.411 4.120 0.001 0.000 0.295 396 V C -0.402 175.698 176.094 0.010 0.000 1.026 396 V CA -0.894 61.413 62.300 0.012 0.000 0.856 396 V CB 2.053 33.891 31.823 0.024 0.000 1.001 396 V HN 0.464 nan 8.190 nan 0.000 0.424 397 V N 6.285 126.202 119.914 0.005 0.000 2.318 397 V HA 0.342 4.463 4.120 0.001 0.000 0.271 397 V C 0.071 176.172 176.094 0.011 0.000 1.030 397 V CA -0.472 61.827 62.300 -0.003 0.000 0.844 397 V CB 1.084 32.891 31.823 -0.028 0.000 1.015 397 V HN 0.588 nan 8.190 nan 0.000 0.460 398 L N 6.477 127.715 121.223 0.025 0.000 2.467 398 L HA 0.505 4.846 4.340 0.001 0.000 0.270 398 L C 0.358 177.263 176.870 0.059 0.000 1.205 398 L CA 0.835 55.701 54.840 0.043 0.000 0.828 398 L CB 1.019 43.103 42.059 0.041 0.000 1.101 398 L HN 0.635 nan 8.230 nan 0.000 0.479 399 V N -1.842 118.129 119.914 0.095 0.000 3.153 399 V HA 0.428 4.548 4.120 0.001 0.000 0.306 399 V C 0.021 176.245 176.094 0.216 0.000 1.550 399 V CA -1.014 61.373 62.300 0.145 0.000 1.027 399 V CB 1.074 32.997 31.823 0.166 0.000 1.071 399 V HN 0.827 nan 8.190 nan 0.000 0.475 400 H N 0.519 119.658 119.070 0.114 0.000 2.394 400 H HA -0.042 4.515 4.556 0.001 0.000 0.322 400 H C -0.130 175.227 175.328 0.048 0.000 1.012 400 H CA 1.728 57.836 56.048 0.099 0.000 1.084 400 H CB -1.001 28.850 29.762 0.148 0.000 1.597 400 H HN 2.083 nan 8.280 nan 0.000 0.375 401 G N 1.429 110.272 108.800 0.072 0.000 2.466 401 G HA2 0.329 4.290 3.960 0.001 0.000 0.291 401 G HA3 0.329 4.290 3.960 0.001 0.000 0.291 401 G C -1.365 173.531 174.900 -0.005 0.000 1.460 401 G CA -0.754 44.362 45.100 0.025 0.000 0.791 401 G HN 0.232 nan 8.290 nan 0.000 0.505 402 E N 0.681 120.861 120.200 -0.034 0.000 2.229 402 E HA 0.187 4.537 4.350 0.001 0.000 0.283 402 E C 0.700 177.299 176.600 -0.001 0.000 1.030 402 E CA -0.396 55.993 56.400 -0.018 0.000 0.836 402 E CB 2.036 31.716 29.700 -0.033 0.000 1.068 402 E HN 0.589 nan 8.360 nan 0.000 0.401 403 E N 2.623 122.831 120.200 0.013 0.000 2.181 403 E HA -0.362 3.988 4.350 0.001 0.000 0.225 403 E C 1.319 177.927 176.600 0.013 0.000 1.073 403 E CA 2.173 58.583 56.400 0.018 0.000 0.916 403 E CB 0.050 29.762 29.700 0.020 0.000 0.793 403 E HN 0.477 nan 8.360 nan 0.000 0.472 404 E N 0.533 120.738 120.200 0.009 0.000 2.070 404 E HA -0.192 4.159 4.350 0.001 0.000 0.197 404 E C 1.978 178.581 176.600 0.005 0.000 1.004 404 E CA 1.511 57.916 56.400 0.008 0.000 0.805 404 E CB -0.151 29.555 29.700 0.009 0.000 0.744 404 E HN 0.204 nan 8.360 nan 0.000 0.451 405 K N -0.220 120.175 120.400 -0.007 0.000 2.062 405 K HA -0.042 4.279 4.320 0.001 0.000 0.205 405 K C 1.888 178.489 176.600 0.002 0.000 1.051 405 K CA 0.636 56.914 56.287 -0.014 0.000 0.941 405 K CB -0.089 32.379 32.500 -0.054 0.000 0.719 405 K HN -0.019 nan 8.250 nan 0.000 0.440 406 L N 0.530 121.759 121.223 0.010 0.000 2.083 406 L HA -0.157 4.184 4.340 0.001 0.000 0.209 406 L C 1.953 178.835 176.870 0.020 0.000 1.083 406 L CA 1.346 56.200 54.840 0.022 0.000 0.752 406 L CB -0.470 41.608 42.059 0.032 0.000 0.899 406 L HN 0.099 nan 8.230 nan 0.000 0.433 407 L N -0.898 120.336 121.223 0.017 0.000 2.093 407 L HA -0.065 4.276 4.340 0.001 0.000 0.208 407 L C 2.560 179.439 176.870 0.015 0.000 1.085 407 L CA 1.732 56.582 54.840 0.016 0.000 0.755 407 L CB -1.221 40.847 42.059 0.015 0.000 0.904 407 L HN 0.221 nan 8.230 nan 0.000 0.435 408 A N -0.968 121.861 122.820 0.015 0.000 1.933 408 A HA -0.189 4.131 4.320 0.001 0.000 0.218 408 A C 2.325 179.919 177.584 0.017 0.000 1.175 408 A CA 1.732 53.779 52.037 0.016 0.000 0.628 408 A CB -0.685 18.324 19.000 0.016 0.000 0.814 408 A HN 0.387 nan 8.150 nan 0.000 0.444 409 L N -0.724 120.510 121.223 0.018 0.000 2.023 409 L HA -0.044 4.297 4.340 0.001 0.000 0.205 409 L C 2.568 179.448 176.870 0.018 0.000 1.073 409 L CA 1.682 56.534 54.840 0.020 0.000 0.745 409 L CB -1.000 41.073 42.059 0.023 0.000 0.900 409 L HN 0.432 nan 8.230 nan 0.000 0.435 410 G N -0.024 108.787 108.800 0.018 0.000 2.475 410 G HA2 -0.363 3.598 3.960 0.001 0.000 0.220 410 G HA3 -0.363 3.598 3.960 0.001 0.000 0.220 410 G C 1.644 176.552 174.900 0.013 0.000 1.125 410 G CA 1.133 46.243 45.100 0.016 0.000 0.755 410 G HN 0.391 nan 8.290 nan 0.000 0.565 411 K N 0.011 120.418 120.400 0.013 0.000 1.991 411 K HA -0.030 4.291 4.320 0.001 0.000 0.212 411 K C 2.542 179.148 176.600 0.010 0.000 1.049 411 K CA 1.236 57.529 56.287 0.011 0.000 0.932 411 K CB -0.329 32.178 32.500 0.012 0.000 0.717 411 K HN 0.350 nan 8.250 nan 0.000 0.441 412 L N 1.037 122.267 121.223 0.011 0.000 2.042 412 L HA -0.218 4.122 4.340 0.001 0.000 0.210 412 L C 2.536 179.411 176.870 0.008 0.000 1.076 412 L CA 1.069 55.915 54.840 0.010 0.000 0.749 412 L CB -0.524 41.541 42.059 0.011 0.000 0.893 412 L HN 0.277 nan 8.230 nan 0.000 0.432 413 L N -0.251 120.978 121.223 0.010 0.000 1.989 413 L HA -0.242 4.099 4.340 0.001 0.000 0.211 413 L C 2.965 179.838 176.870 0.004 0.000 1.071 413 L CA 1.384 56.229 54.840 0.008 0.000 0.749 413 L CB -0.829 41.237 42.059 0.012 0.000 0.890 413 L HN 0.277 nan 8.230 nan 0.000 0.431 414 A N 0.195 123.018 122.820 0.005 0.000 1.865 414 A HA -0.225 4.096 4.320 0.001 0.000 0.217 414 A C 2.237 179.822 177.584 0.002 0.000 1.191 414 A CA 1.650 53.689 52.037 0.003 0.000 0.623 414 A CB -0.927 18.076 19.000 0.005 0.000 0.826 414 A HN 0.377 nan 8.150 nan 0.000 0.444 415 L N -1.427 119.798 121.223 0.004 0.000 2.187 415 L HA -0.167 4.174 4.340 0.001 0.000 0.213 415 L C 2.661 179.532 176.870 0.001 0.000 1.100 415 L CA 1.311 56.153 54.840 0.003 0.000 0.765 415 L CB -0.282 41.780 42.059 0.004 0.000 0.904 415 L HN 0.375 nan 8.230 nan 0.000 0.437 416 R N -0.701 119.799 120.500 0.000 0.000 2.310 416 R HA 0.028 4.369 4.340 0.001 0.000 0.202 416 R C 1.309 177.606 176.300 -0.005 0.000 0.933 416 R CA 0.626 56.724 56.100 -0.002 0.000 1.054 416 R CB 0.211 30.510 30.300 -0.002 0.000 0.985 416 R HN 0.442 nan 8.270 nan 0.000 0.489 417 G N 0.077 108.874 108.800 -0.004 0.000 2.194 417 G HA2 -0.292 3.669 3.960 0.001 0.000 0.236 417 G HA3 -0.292 3.669 3.960 0.001 0.000 0.236 417 G C -0.112 174.784 174.900 -0.008 0.000 0.987 417 G CA -0.275 44.821 45.100 -0.006 0.000 0.635 417 G HN 0.376 nan 8.290 nan 0.000 0.520 418 Q N 0.583 120.379 119.800 -0.007 0.000 2.304 418 Q HA 0.445 4.786 4.340 0.001 0.000 0.260 418 Q C 0.044 176.041 176.000 -0.005 0.000 0.965 418 Q CA -0.140 55.658 55.803 -0.008 0.000 0.898 418 Q CB 1.098 29.832 28.738 -0.007 0.000 1.196 418 Q HN 0.456 nan 8.270 nan 0.000 0.402 419 E N 2.225 122.421 120.200 -0.007 0.000 2.104 419 E HA 0.192 4.543 4.350 0.001 0.000 0.278 419 E C -1.386 175.213 176.600 -0.002 0.000 1.127 419 E CA -0.226 56.171 56.400 -0.005 0.000 0.897 419 E CB 0.697 30.392 29.700 -0.008 0.000 1.043 419 E HN 0.277 nan 8.360 nan 0.000 0.410 420 V N 4.005 123.920 119.914 0.001 0.000 2.715 420 V HA 0.756 4.876 4.120 0.001 0.000 0.310 420 V C -0.880 175.217 176.094 0.005 0.000 1.054 420 V CA -0.027 62.275 62.300 0.005 0.000 0.928 420 V CB 1.996 33.825 31.823 0.009 0.000 1.007 420 V HN 0.787 nan 8.190 nan 0.000 0.437 421 S N 5.683 121.387 115.700 0.006 0.000 2.596 421 S HA 0.748 5.219 4.470 0.001 0.000 0.270 421 S C -1.733 172.873 174.600 0.010 0.000 1.155 421 S CA -0.830 57.373 58.200 0.006 0.000 0.827 421 S CB 1.587 64.787 63.200 -0.000 0.000 1.130 421 S HN 0.631 nan 8.310 nan 0.000 0.467 422 L N 2.154 123.386 121.223 0.014 0.000 2.295 422 L HA 0.789 5.130 4.340 0.001 0.000 0.285 422 L C 0.821 177.703 176.870 0.019 0.000 1.035 422 L CA -0.260 54.594 54.840 0.023 0.000 0.806 422 L CB 1.118 43.195 42.059 0.030 0.000 1.214 422 L HN 1.052 nan 8.230 nan 0.000 0.426 423 A N 4.337 127.170 122.820 0.022 0.000 2.386 423 A HA 0.654 4.975 4.320 0.001 0.000 0.248 423 A C 0.055 177.660 177.584 0.035 0.000 1.082 423 A CA -0.226 51.817 52.037 0.010 0.000 0.789 423 A CB 0.203 19.206 19.000 0.005 0.000 1.025 423 A HN 0.723 nan 8.150 nan 0.000 0.490 424 R N 0.337 120.848 120.500 0.020 0.000 2.532 424 R HA 0.330 4.671 4.340 0.001 0.000 0.297 424 R C -0.979 175.359 176.300 0.065 0.000 0.984 424 R CA -0.572 55.568 56.100 0.065 0.000 0.884 424 R CB 1.598 31.929 30.300 0.052 0.000 1.182 424 R HN 0.693 nan 8.270 nan 0.000 0.442 425 F N 1.889 121.854 119.950 0.024 0.000 2.594 425 F HA -0.127 4.400 4.527 0.001 0.000 0.384 425 F C 1.614 177.406 175.800 -0.014 0.000 1.060 425 F CA 2.571 60.597 58.000 0.043 0.000 1.278 425 F CB 0.507 39.578 39.000 0.118 0.000 0.977 425 F HN 0.921 nan 8.300 nan 0.000 0.576 426 G N 3.421 111.816 108.800 -0.675 0.000 2.448 426 G HA2 -0.391 3.570 3.960 0.001 0.000 0.257 426 G HA3 -0.391 3.570 3.960 0.001 0.000 0.257 426 G C 0.430 175.161 174.900 -0.282 0.000 0.997 426 G CA 0.648 45.487 45.100 -0.435 0.000 0.635 426 G HN 0.705 nan 8.290 nan 0.000 0.556 427 E N 1.919 122.018 120.200 -0.169 0.000 1.985 427 E HA 0.425 4.775 4.350 0.001 0.000 0.268 427 E C 1.290 177.795 176.600 -0.158 0.000 1.219 427 E CA -0.034 56.303 56.400 -0.104 0.000 0.942 427 E CB 0.101 29.779 29.700 -0.036 0.000 1.045 427 E HN 0.475 nan 8.360 nan 0.000 0.413 428 G N 1.920 110.626 108.800 -0.156 0.000 2.559 428 G HA2 0.188 4.149 3.960 0.001 0.000 0.235 428 G HA3 0.188 4.149 3.960 0.001 0.000 0.235 428 G C -0.219 174.620 174.900 -0.102 0.000 1.266 428 G CA -0.362 44.647 45.100 -0.152 0.000 0.847 428 G HN 0.329 nan 8.290 nan 0.000 0.583 429 V N 3.765 123.618 119.914 -0.102 0.000 2.638 429 V HA 0.445 4.566 4.120 0.001 0.000 0.306 429 V C -2.057 174.000 176.094 -0.061 0.000 1.052 429 V CA -1.410 60.846 62.300 -0.074 0.000 0.885 429 V CB 2.567 34.343 31.823 -0.078 0.000 0.999 429 V HN 0.727 nan 8.190 nan 0.000 0.424 430 P HA 0.342 nan 4.420 nan 0.000 0.285 430 P C -0.470 176.811 177.300 -0.032 0.000 1.259 430 P CA -0.040 63.039 63.100 -0.035 0.000 0.794 430 P CB 1.839 33.523 31.700 -0.026 0.000 0.940 431 V N 0.000 119.897 119.914 -0.028 0.000 2.409 431 V HA 0.000 4.121 4.120 0.001 0.000 0.244 431 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 431 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556