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 3iel_1_A 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 VHTLGGFSGH 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 0.000 176.290 176.300 -0.016 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 2 R N 2.591 123.078 120.500 -0.023 0.000 2.808 2 R HA 0.830 5.176 4.340 0.010 0.000 0.272 2 R C -1.673 174.598 176.300 -0.047 0.000 0.995 2 R CA -0.945 55.135 56.100 -0.034 0.000 0.917 2 R CB 2.762 33.041 30.300 -0.034 0.000 1.217 2 R HN 0.636 nan 8.270 nan 0.000 0.471 3 I N 1.099 121.630 120.570 -0.066 0.000 2.499 3 I HA 0.319 4.495 4.170 0.010 0.000 0.288 3 I C -1.443 174.596 176.117 -0.131 0.000 1.048 3 I CA -0.645 60.601 61.300 -0.090 0.000 1.062 3 I CB 2.163 40.108 38.000 -0.091 0.000 1.238 3 I HN 0.299 nan 8.210 nan 0.000 0.426 4 V N 9.348 129.164 119.914 -0.163 0.000 2.357 4 V HA 0.492 4.618 4.120 0.010 0.000 0.284 4 V C -2.334 173.497 176.094 -0.437 0.000 1.018 4 V CA -1.713 60.393 62.300 -0.323 0.000 0.841 4 V CB 1.150 32.773 31.823 -0.333 0.000 0.991 4 V HN 0.628 nan 8.190 nan 0.000 0.437 5 P HA 0.278 nan 4.420 nan 0.000 0.276 5 P C -0.514 176.308 177.300 -0.797 0.000 1.253 5 P CA 0.136 63.080 63.100 -0.261 0.000 0.766 5 P CB 0.175 31.790 31.700 -0.140 0.000 0.845 6 F N 2.886 122.584 119.950 -0.421 0.000 2.835 6 F HA 0.542 5.075 4.527 0.009 0.000 0.342 6 F C 1.039 176.767 175.800 -0.120 0.000 1.202 6 F CA 0.032 57.715 58.000 -0.528 0.000 1.240 6 F CB 0.650 39.538 39.000 -0.186 0.000 1.005 6 F HN 0.402 nan 8.300 nan 0.000 0.507 7 G N -1.340 107.504 108.800 0.073 0.000 2.325 7 G HA2 0.498 4.464 3.960 0.010 0.000 0.297 7 G HA3 0.498 4.464 3.960 0.010 0.000 0.297 7 G C -0.061 174.965 174.900 0.210 0.000 1.448 7 G CA -0.089 45.176 45.100 0.276 0.000 0.838 7 G HN 0.710 nan 8.290 nan 0.000 0.579 8 A N -1.933 121.044 122.820 0.263 0.000 2.826 8 A HA 0.260 4.586 4.320 0.010 0.000 0.274 8 A C 1.108 178.811 177.584 0.199 0.000 1.443 8 A CA 1.850 54.005 52.037 0.197 0.000 0.833 8 A CB -1.528 17.607 19.000 0.223 0.000 1.023 8 A HN 2.618 nan 8.150 nan 0.000 0.600 9 A N -0.625 122.328 122.820 0.221 0.000 2.279 9 A HA 0.657 4.983 4.320 0.010 0.000 0.306 9 A C 1.102 178.755 177.584 0.115 0.000 1.300 9 A CA 0.333 52.469 52.037 0.165 0.000 0.925 9 A CB 0.004 19.123 19.000 0.199 0.000 1.152 9 A HN 1.523 nan 8.150 nan 0.000 0.544 10 R N -0.184 120.360 120.500 0.073 0.000 3.758 10 R HA -0.215 4.131 4.340 0.010 0.000 0.299 10 R C -0.023 176.290 176.300 0.022 0.000 1.182 10 R CA 1.913 58.036 56.100 0.038 0.000 0.809 10 R CB -2.231 28.087 30.300 0.031 0.000 1.249 10 R HN 1.027 nan 8.270 nan 0.000 0.497 11 E N -2.447 117.767 120.200 0.025 0.000 2.423 11 E HA 0.410 4.766 4.350 0.010 0.000 0.280 11 E C 0.248 176.799 176.600 -0.082 0.000 1.030 11 E CA -0.512 55.885 56.400 -0.005 0.000 0.812 11 E CB 1.150 30.879 29.700 0.047 0.000 1.313 11 E HN 0.028 nan 8.360 nan 0.000 0.456 12 V N -1.845 117.970 119.914 -0.165 0.000 3.608 12 V HA 0.171 4.297 4.120 0.010 0.000 0.269 12 V C 0.619 176.497 176.094 -0.360 0.000 1.245 12 V CA 1.282 63.304 62.300 -0.464 0.000 1.138 12 V CB -0.520 31.051 31.823 -0.420 0.000 0.841 12 V HN 0.749 nan 8.190 nan 0.000 0.451 13 T N -3.795 110.731 114.554 -0.047 0.000 2.927 13 T HA 0.688 5.045 4.350 0.010 0.000 0.286 13 T C 1.006 175.719 174.700 0.022 0.000 1.040 13 T CA 0.236 62.364 62.100 0.046 0.000 1.010 13 T CB 1.284 70.221 68.868 0.115 0.000 1.177 13 T HN 1.594 nan 8.240 nan 0.000 0.546 14 G N 0.564 109.214 108.800 -0.250 0.000 2.159 14 G HA2 -0.254 3.712 3.960 0.010 0.000 0.256 14 G HA3 -0.254 3.712 3.960 0.010 0.000 0.256 14 G C 0.253 174.910 174.900 -0.406 0.000 0.977 14 G CA 0.069 44.687 45.100 -0.804 0.000 0.652 14 G HN 1.159 nan 8.290 nan 0.000 0.531 15 S N 0.520 116.090 115.700 -0.216 0.000 2.784 15 S HA 0.414 4.890 4.470 0.010 0.000 0.322 15 S C 0.559 174.920 174.600 -0.399 0.000 1.234 15 S CA 1.077 59.118 58.200 -0.264 0.000 1.064 15 S CB 0.634 63.623 63.200 -0.353 0.000 0.787 15 S HN 1.969 nan 8.310 nan 0.000 0.506 16 A N 4.639 127.057 122.820 -0.670 0.000 2.530 16 A HA 0.567 4.894 4.320 0.010 0.000 0.297 16 A C -1.273 175.775 177.584 -0.895 0.000 1.059 16 A CA -0.809 50.912 52.037 -0.527 0.000 0.782 16 A CB 1.052 19.954 19.000 -0.163 0.000 1.301 16 A HN 0.800 nan 8.150 nan 0.000 0.394 17 H N 2.282 121.212 119.070 -0.233 0.000 2.840 17 H HA 0.413 4.975 4.556 0.010 0.000 0.340 17 H C -1.391 173.777 175.328 -0.266 0.000 1.004 17 H CA -0.674 55.212 56.048 -0.271 0.000 1.288 17 H CB 1.884 31.376 29.762 -0.451 0.000 1.607 17 H HN 0.544 nan 8.280 nan 0.000 0.522 18 L N 4.309 125.459 121.223 -0.122 0.000 2.278 18 L HA 0.194 4.540 4.340 0.010 0.000 0.287 18 L C -0.668 176.123 176.870 -0.132 0.000 1.072 18 L CA -0.560 54.150 54.840 -0.216 0.000 0.819 18 L CB 0.396 42.295 42.059 -0.265 0.000 1.176 18 L HN 0.435 nan 8.230 nan 0.000 0.435 19 L N 6.669 127.817 121.223 -0.125 0.000 2.265 19 L HA 0.496 4.843 4.340 0.010 0.000 0.288 19 L C -1.152 175.678 176.870 -0.066 0.000 1.058 19 L CA 0.093 54.886 54.840 -0.078 0.000 0.809 19 L CB 0.713 42.741 42.059 -0.051 0.000 1.179 19 L HN 0.524 nan 8.230 nan 0.000 0.429 20 L N 6.362 127.556 121.223 -0.049 0.000 2.319 20 L HA 0.909 5.255 4.340 0.010 0.000 0.281 20 L C -0.380 176.477 176.870 -0.022 0.000 1.005 20 L CA -0.487 54.333 54.840 -0.034 0.000 0.828 20 L CB 1.409 43.452 42.059 -0.027 0.000 1.227 20 L HN 0.847 nan 8.230 nan 0.000 0.415 21 A N 1.918 124.729 122.820 -0.016 0.000 2.573 21 A HA 0.587 4.913 4.320 0.010 0.000 0.299 21 A C 0.209 177.789 177.584 -0.008 0.000 1.060 21 A CA 0.044 52.074 52.037 -0.011 0.000 0.736 21 A CB 1.234 20.229 19.000 -0.008 0.000 1.280 21 A HN 0.990 nan 8.150 nan 0.000 0.401 22 G N 0.776 109.572 108.800 -0.006 0.000 2.295 22 G HA2 0.212 4.178 3.960 0.010 0.000 0.287 22 G HA3 0.212 4.178 3.960 0.010 0.000 0.287 22 G C 1.841 176.739 174.900 -0.003 0.000 1.055 22 G CA 1.461 46.558 45.100 -0.005 0.000 0.922 22 G HN 2.968 nan 8.290 nan 0.000 0.503 23 G N -1.673 107.126 108.800 -0.002 0.000 2.200 23 G HA2 -0.323 3.644 3.960 0.010 0.000 0.267 23 G HA3 -0.323 3.644 3.960 0.010 0.000 0.267 23 G C 0.665 175.566 174.900 0.001 0.000 0.993 23 G CA 1.348 46.448 45.100 0.001 0.000 0.701 23 G HN 0.930 nan 8.290 nan 0.000 0.524 24 R N -0.388 120.111 120.500 -0.002 0.000 2.668 24 R HA 0.696 5.043 4.340 0.010 0.000 0.279 24 R C 0.317 176.609 176.300 -0.013 0.000 0.976 24 R CA -0.778 55.322 56.100 -0.001 0.000 0.978 24 R CB 0.970 31.272 30.300 0.002 0.000 1.133 24 R HN 0.374 nan 8.270 nan 0.000 0.484 25 R N 0.726 121.216 120.500 -0.017 0.000 2.473 25 R HA 0.444 4.791 4.340 0.010 0.000 0.303 25 R C -0.987 175.274 176.300 -0.066 0.000 1.002 25 R CA -0.676 55.392 56.100 -0.053 0.000 0.884 25 R CB 1.945 32.206 30.300 -0.064 0.000 1.173 25 R HN 0.198 nan 8.270 nan 0.000 0.464 26 V N 4.572 124.436 119.914 -0.082 0.000 2.378 26 V HA 0.285 4.411 4.120 0.010 0.000 0.288 26 V C 0.132 176.142 176.094 -0.141 0.000 1.016 26 V CA -0.815 61.439 62.300 -0.077 0.000 0.840 26 V CB 1.929 33.733 31.823 -0.031 0.000 0.994 26 V HN 0.627 nan 8.190 nan 0.000 0.431 27 L N 5.603 126.706 121.223 -0.201 0.000 2.319 27 L HA 0.391 4.737 4.340 0.010 0.000 0.280 27 L C -0.966 175.824 176.870 -0.132 0.000 1.099 27 L CA -0.512 54.166 54.840 -0.270 0.000 0.828 27 L CB 1.265 43.093 42.059 -0.385 0.000 1.150 27 L HN 0.491 nan 8.230 nan 0.000 0.442 28 L N 5.535 126.689 121.223 -0.115 0.000 2.264 28 L HA 0.408 4.754 4.340 0.010 0.000 0.287 28 L C -0.326 176.537 176.870 -0.011 0.000 1.039 28 L CA 0.155 54.997 54.840 0.005 0.000 0.829 28 L CB 0.373 42.401 42.059 -0.050 0.000 1.211 28 L HN 0.607 nan 8.230 nan 0.000 0.427 29 D N 1.398 121.840 120.400 0.069 0.000 10.822 29 D HA -0.254 4.392 4.640 0.010 0.000 0.356 29 D C -0.490 175.754 176.300 -0.092 0.000 3.123 29 D CA 0.399 54.407 54.000 0.013 0.000 2.621 29 D CB -0.209 40.584 40.800 -0.011 0.000 1.197 29 D HN 0.662 nan 8.370 nan 0.000 0.942 30 C N 2.263 121.519 119.300 -0.073 0.000 3.079 30 C HA 0.557 5.023 4.460 0.010 0.000 0.246 30 C C 0.507 175.489 174.990 -0.013 0.000 1.025 30 C CA 0.440 59.428 59.018 -0.049 0.000 1.081 30 C CB -0.619 27.102 27.740 -0.033 0.000 1.757 30 C HN 0.672 nan 8.230 nan 0.000 0.646 31 G N 2.967 111.711 108.800 -0.093 0.000 2.476 31 G HA2 0.588 4.555 3.960 0.010 0.000 0.286 31 G HA3 0.588 4.555 3.960 0.010 0.000 0.286 31 G C -0.131 174.674 174.900 -0.159 0.000 1.177 31 G CA -0.531 44.529 45.100 -0.068 0.000 0.870 31 G HN 0.868 nan 8.290 nan 0.000 0.528 32 M N -0.255 119.306 119.600 -0.065 0.000 2.283 32 M HA 0.698 5.184 4.480 0.010 0.000 0.314 32 M C -1.094 175.059 176.300 -0.244 0.000 1.153 32 M CA -0.441 54.780 55.300 -0.132 0.000 1.084 32 M CB 0.999 33.687 32.600 0.145 0.000 1.468 32 M HN 0.214 nan 8.290 nan 0.000 0.474 33 F N 0.747 120.682 119.950 -0.025 0.000 2.377 33 F HA 0.493 5.025 4.527 0.009 0.000 0.328 33 F C 0.394 176.195 175.800 0.002 0.000 1.094 33 F CA -0.124 57.865 58.000 -0.018 0.000 1.093 33 F CB 1.219 40.178 39.000 -0.067 0.000 1.214 33 F HN 0.616 nan 8.300 nan 0.000 0.518 34 Q N 0.047 119.975 119.800 0.212 0.000 2.605 34 Q HA 0.608 4.954 4.340 0.010 0.000 0.296 34 Q C 0.318 176.389 176.000 0.119 0.000 1.056 34 Q CA -0.634 55.256 55.803 0.144 0.000 0.778 34 Q CB 2.294 31.107 28.738 0.126 0.000 1.497 34 Q HN 0.847 nan 8.270 nan 0.000 0.443 35 G N 1.113 109.974 108.800 0.102 0.000 2.561 35 G HA2 -0.399 3.568 3.960 0.010 0.000 0.289 35 G HA3 -0.399 3.568 3.960 0.010 0.000 0.289 35 G C 0.349 175.287 174.900 0.062 0.000 1.169 35 G CA 0.674 45.824 45.100 0.084 0.000 0.980 35 G HN 0.587 nan 8.290 nan 0.000 0.550 36 K N 1.171 121.598 120.400 0.045 0.000 2.442 36 K HA 0.047 4.373 4.320 0.010 0.000 0.198 36 K C 1.731 178.328 176.600 -0.005 0.000 1.042 36 K CA 1.313 57.611 56.287 0.019 0.000 0.958 36 K CB 0.011 32.516 32.500 0.009 0.000 0.766 36 K HN 0.409 nan 8.250 nan 0.000 0.474 37 E N 0.477 120.679 120.200 0.004 0.000 2.474 37 E HA -0.035 4.321 4.350 0.010 0.000 0.195 37 E C 1.183 177.772 176.600 -0.019 0.000 1.039 37 E CA 0.097 56.465 56.400 -0.054 0.000 0.881 37 E CB 0.322 29.986 29.700 -0.059 0.000 0.970 37 E HN 0.214 nan 8.360 nan 0.000 0.486 38 E N 1.677 121.899 120.200 0.037 0.000 2.086 38 E HA -0.266 4.090 4.350 0.010 0.000 0.205 38 E C 1.855 178.436 176.600 -0.031 0.000 1.027 38 E CA 1.570 57.992 56.400 0.038 0.000 0.830 38 E CB -0.020 29.718 29.700 0.063 0.000 0.751 38 E HN 0.235 nan 8.360 nan 0.000 0.456 39 A N 1.255 124.077 122.820 0.003 0.000 1.958 39 A HA -0.236 4.090 4.320 0.010 0.000 0.221 39 A C 2.128 179.687 177.584 -0.042 0.000 1.178 39 A CA 1.786 53.861 52.037 0.062 0.000 0.642 39 A CB -0.637 18.387 19.000 0.041 0.000 0.816 39 A HN 0.221 nan 8.150 nan 0.000 0.453 40 R N -0.447 119.965 120.500 -0.146 0.000 2.303 40 R HA -0.136 4.210 4.340 0.010 0.000 0.225 40 R C 1.374 177.588 176.300 -0.143 0.000 1.114 40 R CA 1.364 57.331 56.100 -0.222 0.000 1.007 40 R CB -0.520 29.425 30.300 -0.592 0.000 0.861 40 R HN 0.741 nan 8.270 nan 0.000 0.471 41 N N -0.485 118.037 118.700 -0.296 0.000 2.459 41 N HA -0.096 4.651 4.740 0.010 0.000 0.181 41 N C 0.988 176.048 175.510 -0.750 0.000 1.046 41 N CA 0.463 53.057 53.050 -0.760 0.000 0.904 41 N CB 0.076 37.596 38.487 -1.611 0.000 0.964 41 N HN 0.281 nan 8.380 nan 0.000 0.444 42 H N -0.322 118.585 119.070 -0.272 0.000 2.539 42 H HA 0.302 4.864 4.556 0.010 0.000 0.267 42 H C 0.623 175.870 175.328 -0.136 0.000 0.982 42 H CA 0.057 56.028 56.048 -0.127 0.000 1.146 42 H CB 0.132 29.862 29.762 -0.053 0.000 1.382 42 H HN 0.182 nan 8.280 nan 0.000 0.577 43 A N 2.319 125.083 122.820 -0.093 0.000 2.256 43 A HA 0.460 4.787 4.320 0.010 0.000 0.318 43 A C -1.947 175.528 177.584 -0.181 0.000 1.103 43 A CA -1.473 50.501 52.037 -0.106 0.000 0.860 43 A CB 0.452 19.383 19.000 -0.115 0.000 1.182 43 A HN -0.032 nan 8.150 nan 0.000 0.501 44 P HA 0.168 nan 4.420 nan 0.000 0.274 44 P C 0.013 177.211 177.300 -0.169 0.000 1.237 44 P CA -0.112 62.880 63.100 -0.181 0.000 0.793 44 P CB 0.363 32.015 31.700 -0.080 0.000 0.977 45 F N 0.636 120.435 119.950 -0.252 0.000 2.146 45 F HA 0.040 4.573 4.527 0.009 0.000 0.298 45 F C 2.241 177.879 175.800 -0.270 0.000 1.096 45 F CA 2.411 60.156 58.000 -0.425 0.000 1.275 45 F CB -0.893 37.348 39.000 -1.266 0.000 1.008 45 F HN 0.632 nan 8.300 nan 0.000 0.480 46 G N -1.039 107.718 108.800 -0.072 0.000 2.211 46 G HA2 -0.203 3.763 3.960 0.010 0.000 0.201 46 G HA3 -0.203 3.763 3.960 0.010 0.000 0.201 46 G C 0.132 175.016 174.900 -0.027 0.000 0.997 46 G CA -0.054 45.133 45.100 0.145 0.000 0.652 46 G HN 0.399 nan 8.290 nan 0.000 0.500 47 F N -0.381 119.367 119.950 -0.337 0.000 2.650 47 F HA 0.812 5.342 4.527 0.006 0.000 0.320 47 F C -0.801 174.902 175.800 -0.162 0.000 1.091 47 F CA -1.933 55.878 58.000 -0.314 0.000 0.962 47 F CB 0.959 39.601 39.000 -0.596 0.000 1.363 47 F HN -0.072 nan 8.300 nan 0.000 0.482 48 D N 1.725 122.156 120.400 0.052 0.000 2.380 48 D HA 0.407 5.053 4.640 0.010 0.000 0.230 48 D C -1.942 174.372 176.300 0.024 0.000 1.154 48 D CA -2.555 51.442 54.000 -0.006 0.000 0.859 48 D CB 1.477 42.296 40.800 0.031 0.000 1.045 48 D HN 0.180 nan 8.370 nan 0.000 0.495 49 P HA -0.157 nan 4.420 nan 0.000 0.216 49 P C 0.787 178.106 177.300 0.032 0.000 1.150 49 P CA 1.370 64.410 63.100 -0.100 0.000 0.843 49 P CB 0.240 31.860 31.700 -0.133 0.000 0.787 50 K N -0.603 119.820 120.400 0.039 0.000 2.362 50 K HA -0.094 4.232 4.320 0.010 0.000 0.200 50 K C 1.212 177.852 176.600 0.065 0.000 1.046 50 K CA 0.805 57.124 56.287 0.053 0.000 0.952 50 K CB -0.151 32.362 32.500 0.022 0.000 0.753 50 K HN 0.187 nan 8.250 nan 0.000 0.466 51 E N 0.519 120.757 120.200 0.063 0.000 2.474 51 E HA 0.037 4.393 4.350 0.010 0.000 0.195 51 E C -0.152 176.480 176.600 0.053 0.000 1.039 51 E CA 0.082 56.513 56.400 0.052 0.000 0.881 51 E CB 0.365 30.090 29.700 0.042 0.000 0.970 51 E HN -0.044 nan 8.360 nan 0.000 0.486 52 V N 2.718 122.677 119.914 0.074 0.000 2.508 52 V HA 0.001 4.128 4.120 0.010 0.000 0.281 52 V C 1.251 177.455 176.094 0.184 0.000 1.041 52 V CA 0.066 62.377 62.300 0.018 0.000 1.016 52 V CB 1.260 32.935 31.823 -0.246 0.000 0.984 52 V HN 0.044 nan 8.190 nan 0.000 0.478 53 D N 3.005 123.466 120.400 0.103 0.000 2.213 53 D HA 0.237 4.884 4.640 0.010 0.000 0.205 53 D C 0.598 177.022 176.300 0.206 0.000 0.961 53 D CA 1.351 55.431 54.000 0.132 0.000 0.853 53 D CB 0.831 41.672 40.800 0.069 0.000 0.967 53 D HN 0.697 nan 8.370 nan 0.000 0.496 54 A N -0.333 122.593 122.820 0.177 0.000 2.586 54 A HA 0.545 4.871 4.320 0.010 0.000 0.290 54 A C -1.609 176.035 177.584 0.100 0.000 1.086 54 A CA -0.553 51.631 52.037 0.245 0.000 0.665 54 A CB 1.504 20.675 19.000 0.286 0.000 1.279 54 A HN -0.112 nan 8.150 nan 0.000 0.423 55 V N 0.369 120.384 119.914 0.167 0.000 2.709 55 V HA 0.631 4.758 4.120 0.010 0.000 0.308 55 V C -1.279 174.938 176.094 0.205 0.000 1.062 55 V CA -0.392 61.949 62.300 0.069 0.000 0.901 55 V CB 1.577 33.378 31.823 -0.036 0.000 1.003 55 V HN 0.733 nan 8.190 nan 0.000 0.425 56 L N 5.038 126.366 121.223 0.175 0.000 2.362 56 L HA 0.624 4.971 4.340 0.010 0.000 0.275 56 L C -0.918 176.133 176.870 0.301 0.000 0.998 56 L CA -0.283 54.727 54.840 0.283 0.000 0.820 56 L CB 1.749 43.929 42.059 0.203 0.000 1.270 56 L HN 0.379 nan 8.230 nan 0.000 0.415 57 L N 2.361 123.784 121.223 0.333 0.000 2.296 57 L HA 0.439 4.785 4.340 0.010 0.000 0.286 57 L C 1.347 178.283 176.870 0.109 0.000 1.023 57 L CA 0.012 54.966 54.840 0.190 0.000 0.812 57 L CB 1.472 43.594 42.059 0.103 0.000 1.223 57 L HN 0.812 nan 8.230 nan 0.000 0.421 58 T N -0.965 113.649 114.554 0.100 0.000 2.985 58 T HA 0.075 4.432 4.350 0.010 0.000 0.266 58 T C 0.503 175.156 174.700 -0.078 0.000 1.076 58 T CA 0.881 62.960 62.100 -0.035 0.000 1.135 58 T CB -0.203 68.737 68.868 0.121 0.000 0.890 58 T HN 0.674 nan 8.240 nan 0.000 0.480 59 H N -2.620 116.393 119.070 -0.094 0.000 2.987 59 H HA 0.627 5.189 4.556 0.011 0.000 0.316 59 H C 0.608 175.872 175.328 -0.107 0.000 1.380 59 H CA -0.486 55.447 56.048 -0.192 0.000 1.160 59 H CB 1.158 30.757 29.762 -0.272 0.000 1.865 59 H HN 0.001 nan 8.280 nan 0.000 0.521 60 A N 0.391 123.207 122.820 -0.007 0.000 2.168 60 A HA -0.029 4.297 4.320 0.010 0.000 0.215 60 A C 0.635 178.297 177.584 0.130 0.000 1.152 60 A CA 0.267 52.310 52.037 0.011 0.000 0.716 60 A CB -1.292 17.691 19.000 -0.028 0.000 0.794 60 A HN 0.698 nan 8.150 nan 0.000 0.465 61 H N -1.397 117.780 119.070 0.178 0.000 3.016 61 H HA 0.018 4.580 4.556 0.010 0.000 0.345 61 H C 1.292 176.691 175.328 0.118 0.000 1.066 61 H CA -0.263 55.880 56.048 0.159 0.000 1.390 61 H CB 0.638 30.554 29.762 0.256 0.000 1.344 61 H HN 0.235 nan 8.280 nan 0.000 0.605 62 L N 2.549 123.913 121.223 0.236 0.000 2.079 62 L HA -0.201 4.145 4.340 0.010 0.000 0.210 62 L C 1.997 178.975 176.870 0.180 0.000 1.081 62 L CA 1.825 56.771 54.840 0.176 0.000 0.752 62 L CB -0.470 41.677 42.059 0.146 0.000 0.896 62 L HN 0.790 nan 8.230 nan 0.000 0.433 63 D N -3.095 117.434 120.400 0.214 0.000 2.352 63 D HA -0.160 4.487 4.640 0.010 0.000 0.232 63 D C 1.344 177.808 176.300 0.274 0.000 1.055 63 D CA 0.799 54.927 54.000 0.213 0.000 0.891 63 D CB -0.321 40.622 40.800 0.238 0.000 0.897 63 D HN 0.571 nan 8.370 nan 0.000 0.529 64 H N -0.718 118.371 119.070 0.033 0.000 3.255 64 H HA 0.119 4.682 4.556 0.011 0.000 0.256 64 H C 1.463 176.769 175.328 -0.036 0.000 1.049 64 H CA 0.615 56.630 56.048 -0.055 0.000 1.202 64 H CB 1.750 31.322 29.762 -0.318 0.000 1.497 64 H HN 0.155 nan 8.280 nan 0.000 0.503 65 V N -3.324 116.656 119.914 0.111 0.000 3.411 65 V HA 0.410 4.537 4.120 0.010 0.000 0.287 65 V C 1.922 178.062 176.094 0.076 0.000 1.543 65 V CA 0.715 63.059 62.300 0.073 0.000 1.028 65 V CB 0.316 32.173 31.823 0.057 0.000 0.840 65 V HN 0.206 nan 8.190 nan 0.000 0.435 66 G N 1.232 110.103 108.800 0.117 0.000 2.462 66 G HA2 -0.191 3.775 3.960 0.010 0.000 0.220 66 G HA3 -0.191 3.775 3.960 0.010 0.000 0.220 66 G C 1.590 176.645 174.900 0.257 0.000 1.121 66 G CA 1.034 46.245 45.100 0.184 0.000 0.758 66 G HN 0.538 nan 8.290 nan 0.000 0.559 67 R N -0.895 119.743 120.500 0.229 0.000 2.362 67 R HA 0.270 4.616 4.340 0.010 0.000 0.227 67 R C 1.973 178.438 176.300 0.275 0.000 0.905 67 R CA -0.432 55.885 56.100 0.360 0.000 1.067 67 R CB -0.050 30.448 30.300 0.330 0.000 1.078 67 R HN 0.285 nan 8.270 nan 0.000 0.516 68 L N 2.664 123.964 121.223 0.129 0.000 2.013 68 L HA -0.124 4.222 4.340 0.010 0.000 0.212 68 L C -1.002 175.988 176.870 0.200 0.000 1.073 68 L CA 2.151 57.075 54.840 0.141 0.000 0.753 68 L CB -0.675 41.448 42.059 0.107 0.000 0.890 68 L HN 0.046 nan 8.230 nan 0.000 0.432 69 P HA -0.195 nan 4.420 nan 0.000 0.223 69 P C 1.324 178.676 177.300 0.086 0.000 1.151 69 P CA 1.358 64.391 63.100 -0.110 0.000 0.787 69 P CB -0.078 31.190 31.700 -0.721 0.000 0.788 70 K N -0.210 120.300 120.400 0.183 0.000 2.155 70 K HA -0.082 4.244 4.320 0.010 0.000 0.203 70 K C 2.100 178.933 176.600 0.389 0.000 1.052 70 K CA 0.446 56.935 56.287 0.337 0.000 0.948 70 K CB -0.508 32.250 32.500 0.430 0.000 0.728 70 K HN -0.058 nan 8.250 nan 0.000 0.448 71 L N 0.566 122.033 121.223 0.407 0.000 2.017 71 L HA -0.104 4.243 4.340 0.010 0.000 0.208 71 L C 1.822 178.719 176.870 0.046 0.000 1.073 71 L CA 1.722 56.654 54.840 0.154 0.000 0.745 71 L CB -0.399 41.548 42.059 -0.187 0.000 0.894 71 L HN 0.128 nan 8.230 nan 0.000 0.432 72 F N -0.492 119.533 119.950 0.125 0.000 2.186 72 F HA -0.109 4.427 4.527 0.014 0.000 0.299 72 F C 2.711 178.558 175.800 0.078 0.000 1.090 72 F CA 1.483 59.534 58.000 0.085 0.000 1.307 72 F CB -0.516 38.498 39.000 0.023 0.000 1.019 72 F HN 0.035 nan 8.300 nan 0.000 0.489 73 R N 1.043 121.701 120.500 0.262 0.000 2.139 73 R HA -0.176 4.170 4.340 0.010 0.000 0.243 73 R C 0.957 177.345 176.300 0.146 0.000 1.145 73 R CA 1.729 57.943 56.100 0.191 0.000 0.976 73 R CB -0.306 30.113 30.300 0.199 0.000 0.866 73 R HN 0.337 nan 8.270 nan 0.000 0.449 74 E N -1.421 118.867 120.200 0.146 0.000 2.394 74 E HA 0.128 4.484 4.350 0.010 0.000 0.191 74 E C 0.525 177.164 176.600 0.064 0.000 1.044 74 E CA 0.278 56.740 56.400 0.104 0.000 0.939 74 E CB 0.965 30.743 29.700 0.130 0.000 1.089 74 E HN 0.651 nan 8.360 nan 0.000 0.456 75 G N 1.277 110.110 108.800 0.054 0.000 2.491 75 G HA2 -0.311 3.655 3.960 0.010 0.000 0.203 75 G HA3 -0.311 3.655 3.960 0.010 0.000 0.203 75 G C 0.030 174.903 174.900 -0.044 0.000 1.052 75 G CA -0.295 44.815 45.100 0.016 0.000 0.675 75 G HN 0.407 nan 8.290 nan 0.000 0.504 76 Y N 2.727 122.878 120.300 -0.249 0.000 2.904 76 Y HA 0.361 4.916 4.550 0.007 0.000 0.336 76 Y C 1.330 176.915 175.900 -0.524 0.000 1.263 76 Y CA 0.941 58.781 58.100 -0.433 0.000 1.547 76 Y CB 0.485 38.550 38.460 -0.658 0.000 1.272 76 Y HN 0.179 nan 8.280 nan 0.000 0.596 77 R N 4.229 124.069 120.500 -1.101 0.000 2.563 77 R HA 0.200 4.546 4.340 0.010 0.000 0.443 77 R C 0.185 175.969 176.300 -0.860 0.000 0.956 77 R CA 0.309 55.935 56.100 -0.789 0.000 1.141 77 R CB 0.535 30.668 30.300 -0.278 0.000 1.553 77 R HN 0.844 nan 8.270 nan 0.000 0.577 78 G N 2.087 109.878 108.800 -1.682 0.000 2.547 78 G HA2 0.399 4.365 3.960 0.010 0.000 0.291 78 G HA3 0.399 4.365 3.960 0.010 0.000 0.291 78 G C -2.375 172.416 174.900 -0.181 0.000 1.211 78 G CA -0.893 43.767 45.100 -0.734 0.000 0.950 78 G HN -0.144 nan 8.290 nan 0.000 0.504 79 P HA 0.243 nan 4.420 nan 0.000 0.272 79 P C -0.788 176.549 177.300 0.061 0.000 1.230 79 P CA -0.209 62.889 63.100 -0.002 0.000 0.788 79 P CB 1.438 32.994 31.700 -0.240 0.000 0.949 80 V N 2.398 122.264 119.914 -0.080 0.000 2.419 80 V HA 0.250 4.376 4.120 0.010 0.000 0.287 80 V C -0.611 175.416 176.094 -0.111 0.000 1.017 80 V CA -0.504 61.822 62.300 0.044 0.000 0.844 80 V CB 0.515 32.455 31.823 0.196 0.000 1.011 80 V HN 0.381 nan 8.190 nan 0.000 0.429 81 Y N 2.812 123.190 120.300 0.130 0.000 2.334 81 Y HA 0.827 5.383 4.550 0.009 0.000 0.328 81 Y C 0.529 176.565 175.900 0.226 0.000 1.130 81 Y CA -0.193 57.978 58.100 0.119 0.000 1.163 81 Y CB 1.898 40.374 38.460 0.026 0.000 1.207 81 Y HN 0.806 nan 8.280 nan 0.000 0.471 82 A N 0.537 123.584 122.820 0.379 0.000 2.586 82 A HA 0.555 4.881 4.320 0.010 0.000 0.291 82 A C -0.428 177.223 177.584 0.111 0.000 1.062 82 A CA -0.737 51.461 52.037 0.268 0.000 0.666 82 A CB 0.250 19.296 19.000 0.076 0.000 1.281 82 A HN 0.717 nan 8.150 nan 0.000 0.421 83 T N -0.956 113.516 114.554 -0.137 0.000 2.856 83 T HA 0.340 4.696 4.350 0.010 0.000 0.306 83 T C 1.151 175.733 174.700 -0.196 0.000 1.062 83 T CA 0.466 62.435 62.100 -0.218 0.000 1.083 83 T CB 0.696 69.269 68.868 -0.492 0.000 0.984 83 T HN 0.801 nan 8.240 nan 0.000 0.542 84 R N 1.706 122.144 120.500 -0.104 0.000 2.096 84 R HA -0.123 4.223 4.340 0.010 0.000 0.240 84 R C 2.701 178.854 176.300 -0.245 0.000 1.139 84 R CA 2.115 58.169 56.100 -0.077 0.000 0.952 84 R CB -1.270 29.082 30.300 0.087 0.000 0.854 84 R HN 0.901 nan 8.270 nan 0.000 0.436 85 A N -0.967 121.475 122.820 -0.630 0.000 1.892 85 A HA -0.215 4.111 4.320 0.010 0.000 0.218 85 A C 2.244 179.572 177.584 -0.427 0.000 1.188 85 A CA 2.317 53.907 52.037 -0.745 0.000 0.631 85 A CB -1.147 16.951 19.000 -1.502 0.000 0.822 85 A HN 0.486 nan 8.150 nan 0.000 0.447 86 T N -0.515 113.801 114.554 -0.396 0.000 2.777 86 T HA -0.090 4.266 4.350 0.010 0.000 0.266 86 T C 1.871 176.484 174.700 -0.146 0.000 1.040 86 T CA 1.407 63.363 62.100 -0.241 0.000 1.141 86 T CB -0.397 68.335 68.868 -0.226 0.000 0.868 86 T HN 0.159 nan 8.240 nan 0.000 0.444 87 V N 1.553 121.387 119.914 -0.133 0.000 2.332 87 V HA -0.146 3.980 4.120 0.010 0.000 0.248 87 V C 2.448 178.500 176.094 -0.071 0.000 1.055 87 V CA 1.565 63.817 62.300 -0.079 0.000 1.038 87 V CB -0.641 31.145 31.823 -0.061 0.000 0.651 87 V HN 0.439 nan 8.190 nan 0.000 0.450 88 L N -1.010 120.160 121.223 -0.087 0.000 2.027 88 L HA -0.150 4.196 4.340 0.010 0.000 0.206 88 L C 2.401 179.245 176.870 -0.043 0.000 1.074 88 L CA 1.449 56.254 54.840 -0.058 0.000 0.745 88 L CB -0.545 41.479 42.059 -0.058 0.000 0.898 88 L HN 0.268 nan 8.230 nan 0.000 0.433 89 L N -1.036 120.149 121.223 -0.063 0.000 2.083 89 L HA -0.239 4.107 4.340 0.010 0.000 0.209 89 L C 2.709 179.573 176.870 -0.010 0.000 1.083 89 L CA 1.202 56.025 54.840 -0.029 0.000 0.752 89 L CB -0.345 41.684 42.059 -0.051 0.000 0.899 89 L HN 0.323 nan 8.230 nan 0.000 0.433 90 M N -0.584 119.001 119.600 -0.025 0.000 2.108 90 M HA -0.285 4.201 4.480 0.010 0.000 0.261 90 M C 2.257 178.555 176.300 -0.003 0.000 1.066 90 M CA 1.841 57.136 55.300 -0.009 0.000 1.107 90 M CB -0.298 32.288 32.600 -0.023 0.000 1.356 90 M HN 0.270 nan 8.290 nan 0.000 0.406 91 E N 0.785 120.977 120.200 -0.012 0.000 2.058 91 E HA -0.207 4.149 4.350 0.010 0.000 0.194 91 E C 1.769 178.375 176.600 0.011 0.000 0.997 91 E CA 1.392 57.787 56.400 -0.008 0.000 0.801 91 E CB -0.068 29.624 29.700 -0.013 0.000 0.746 91 E HN 0.517 nan 8.360 nan 0.000 0.450 92 I N 0.301 120.880 120.570 0.016 0.000 2.226 92 I HA -0.242 3.934 4.170 0.010 0.000 0.245 92 I C 2.342 178.486 176.117 0.044 0.000 1.100 92 I CA 0.690 62.006 61.300 0.028 0.000 1.374 92 I CB -0.230 37.786 38.000 0.026 0.000 1.057 92 I HN 0.092 nan 8.210 nan 0.000 0.413 93 V N 0.685 120.630 119.914 0.051 0.000 2.307 93 V HA -0.259 3.868 4.120 0.010 0.000 0.245 93 V C 2.399 178.542 176.094 0.082 0.000 1.045 93 V CA 1.549 63.895 62.300 0.076 0.000 1.024 93 V CB -0.505 31.372 31.823 0.090 0.000 0.651 93 V HN 0.261 nan 8.190 nan 0.000 0.449 94 L N -0.235 121.024 121.223 0.060 0.000 2.056 94 L HA -0.086 4.261 4.340 0.010 0.000 0.207 94 L C 2.569 179.498 176.870 0.097 0.000 1.078 94 L CA 1.659 56.538 54.840 0.065 0.000 0.749 94 L CB -1.117 40.936 42.059 -0.009 0.000 0.901 94 L HN 0.299 nan 8.230 nan 0.000 0.433 95 E N -0.373 119.865 120.200 0.064 0.000 2.085 95 E HA -0.271 4.085 4.350 0.010 0.000 0.194 95 E C 1.873 178.517 176.600 0.073 0.000 0.994 95 E CA 1.455 57.894 56.400 0.064 0.000 0.801 95 E CB -0.394 29.330 29.700 0.041 0.000 0.743 95 E HN 0.569 nan 8.360 nan 0.000 0.453 96 D N 0.394 120.837 120.400 0.072 0.000 2.097 96 D HA -0.100 4.546 4.640 0.010 0.000 0.197 96 D C 1.856 178.205 176.300 0.083 0.000 0.984 96 D CA 1.319 55.362 54.000 0.071 0.000 0.826 96 D CB 0.153 40.995 40.800 0.070 0.000 0.973 96 D HN 0.058 nan 8.370 nan 0.000 0.460 97 A N 1.433 124.323 122.820 0.116 0.000 1.940 97 A HA -0.131 4.195 4.320 0.010 0.000 0.219 97 A C 2.489 180.126 177.584 0.089 0.000 1.176 97 A CA 0.970 53.091 52.037 0.140 0.000 0.631 97 A CB -0.837 18.299 19.000 0.226 0.000 0.814 97 A HN 0.427 nan 8.150 nan 0.000 0.446 98 L N -0.716 120.578 121.223 0.118 0.000 1.976 98 L HA -0.200 4.146 4.340 0.010 0.000 0.209 98 L C 2.602 179.442 176.870 -0.051 0.000 1.071 98 L CA 2.368 57.210 54.840 0.003 0.000 0.746 98 L CB -0.376 41.759 42.059 0.127 0.000 0.890 98 L HN 0.494 nan 8.230 nan 0.000 0.432 99 K N -0.437 119.967 120.400 0.006 0.000 1.991 99 K HA -0.128 4.198 4.320 0.010 0.000 0.212 99 K C 0.737 177.338 176.600 0.002 0.000 1.049 99 K CA 1.396 57.685 56.287 0.004 0.000 0.932 99 K CB -0.037 32.478 32.500 0.024 0.000 0.717 99 K HN 0.233 nan 8.250 nan 0.000 0.441 100 V N 2.676 122.603 119.914 0.021 0.000 2.153 100 V HA 0.205 4.331 4.120 0.010 0.000 0.250 100 V C -0.220 175.890 176.094 0.027 0.000 1.334 100 V CA 0.201 62.520 62.300 0.032 0.000 1.249 100 V CB -0.398 31.457 31.823 0.053 0.000 1.371 100 V HN 0.333 nan 8.190 nan 0.000 0.498 101 M N 3.218 122.818 119.600 0.000 0.000 2.265 101 M HA 0.268 4.754 4.480 0.010 0.000 0.251 101 M C 0.590 176.889 176.300 -0.001 0.000 1.005 101 M CA -0.509 54.790 55.300 -0.001 0.000 0.998 101 M CB 1.558 34.119 32.600 -0.064 0.000 2.070 101 M HN 0.563 nan 8.290 nan 0.000 0.476 102 D N 3.610 124.031 120.400 0.035 0.000 2.240 102 D HA -0.187 4.460 4.640 0.010 0.000 0.204 102 D C -0.385 175.942 176.300 0.044 0.000 1.018 102 D CA 1.566 55.590 54.000 0.040 0.000 0.887 102 D CB -0.230 40.604 40.800 0.057 0.000 1.087 102 D HN 0.668 nan 8.370 nan 0.000 0.464 103 E N 2.289 122.549 120.200 0.100 0.000 2.044 103 E HA 0.278 4.635 4.350 0.010 0.000 0.282 103 E C -2.009 174.719 176.600 0.212 0.000 1.031 103 E CA -1.707 54.788 56.400 0.158 0.000 0.824 103 E CB 1.516 31.368 29.700 0.253 0.000 1.076 103 E HN 0.358 nan 8.360 nan 0.000 0.395 104 P HA 0.073 nan 4.420 nan 0.000 0.285 104 P C -0.458 176.877 177.300 0.059 0.000 1.259 104 P CA -0.334 62.679 63.100 -0.144 0.000 0.794 104 P CB 0.344 31.869 31.700 -0.292 0.000 0.940 105 F N 1.390 121.275 119.950 -0.108 0.000 2.654 105 F HA 0.486 5.019 4.527 0.009 0.000 0.303 105 F C -0.241 175.664 175.800 0.175 0.000 1.099 105 F CA -1.046 57.003 58.000 0.081 0.000 1.270 105 F CB -0.204 38.762 39.000 -0.057 0.000 1.024 105 F HN 0.087 nan 8.300 nan 0.000 0.548 106 F N -1.147 118.643 119.950 -0.267 0.000 2.678 106 F HA 0.885 5.418 4.527 0.010 0.000 0.308 106 F C -0.260 175.464 175.800 -0.125 0.000 1.118 106 F CA -1.849 56.044 58.000 -0.179 0.000 0.959 106 F CB 0.733 39.574 39.000 -0.265 0.000 1.305 106 F HN 0.037 nan 8.300 nan 0.000 0.443 107 G N 0.271 109.190 108.800 0.198 0.000 2.552 107 G HA2 0.612 4.579 3.960 0.010 0.000 0.324 107 G HA3 0.612 4.579 3.960 0.010 0.000 0.324 107 G C -2.311 172.701 174.900 0.187 0.000 1.217 107 G CA -1.987 43.176 45.100 0.106 0.000 0.989 107 G HN 0.498 nan 8.290 nan 0.000 0.490 108 P HA -0.108 nan 4.420 nan 0.000 0.220 108 P C 1.306 178.647 177.300 0.069 0.000 1.148 108 P CA 1.158 64.312 63.100 0.091 0.000 0.803 108 P CB 0.263 31.992 31.700 0.048 0.000 0.782 109 E N 0.558 120.797 120.200 0.065 0.000 2.208 109 E HA -0.165 4.192 4.350 0.010 0.000 0.193 109 E C 1.143 177.771 176.600 0.046 0.000 0.988 109 E CA 1.025 57.454 56.400 0.047 0.000 0.828 109 E CB -0.984 28.745 29.700 0.049 0.000 0.763 109 E HN 0.237 nan 8.360 nan 0.000 0.478 110 D N 1.246 121.693 120.400 0.079 0.000 2.149 110 D HA -0.058 4.588 4.640 0.010 0.000 0.201 110 D C 2.235 178.505 176.300 -0.051 0.000 0.972 110 D CA 0.928 54.965 54.000 0.061 0.000 0.835 110 D CB 0.051 40.923 40.800 0.121 0.000 0.966 110 D HN 0.101 nan 8.370 nan 0.000 0.476 111 V N 1.424 121.313 119.914 -0.042 0.000 2.343 111 V HA -0.223 3.903 4.120 0.010 0.000 0.247 111 V C 2.516 178.542 176.094 -0.114 0.000 1.051 111 V CA 1.791 64.025 62.300 -0.108 0.000 1.036 111 V CB -0.471 31.344 31.823 -0.013 0.000 0.654 111 V HN 0.209 nan 8.190 nan 0.000 0.451 112 E N 0.286 120.446 120.200 -0.067 0.000 2.077 112 E HA -0.298 4.059 4.350 0.010 0.000 0.193 112 E C 2.149 178.674 176.600 -0.124 0.000 0.989 112 E CA 1.579 57.934 56.400 -0.075 0.000 0.800 112 E CB -0.089 29.590 29.700 -0.036 0.000 0.746 112 E HN 0.597 nan 8.360 nan 0.000 0.452 113 E N 0.309 120.430 120.200 -0.132 0.000 2.110 113 E HA -0.146 4.210 4.350 0.010 0.000 0.193 113 E C 1.691 177.951 176.600 -0.567 0.000 0.988 113 E CA 1.406 57.698 56.400 -0.179 0.000 0.804 113 E CB -0.274 29.388 29.700 -0.064 0.000 0.745 113 E HN 0.391 nan 8.360 nan 0.000 0.458 114 A N 0.355 122.755 122.820 -0.700 0.000 1.855 114 A HA -0.123 4.203 4.320 0.010 0.000 0.215 114 A C 2.267 179.587 177.584 -0.440 0.000 1.191 114 A CA 1.408 52.894 52.037 -0.917 0.000 0.613 114 A CB -0.844 17.904 19.000 -0.420 0.000 0.829 114 A HN 0.312 nan 8.150 nan 0.000 0.442 115 L N -0.474 120.597 121.223 -0.252 0.000 2.079 115 L HA -0.171 4.175 4.340 0.010 0.000 0.210 115 L C 2.714 179.496 176.870 -0.145 0.000 1.081 115 L CA 1.134 55.883 54.840 -0.151 0.000 0.752 115 L CB -0.841 41.153 42.059 -0.109 0.000 0.896 115 L HN 0.517 nan 8.230 nan 0.000 0.433 116 G N -1.592 107.103 108.800 -0.174 0.000 2.509 116 G HA2 -0.217 3.749 3.960 0.010 0.000 0.218 116 G HA3 -0.217 3.749 3.960 0.010 0.000 0.218 116 G C 0.906 175.626 174.900 -0.300 0.000 1.124 116 G CA 0.381 45.355 45.100 -0.211 0.000 0.776 116 G HN 0.468 nan 8.290 nan 0.000 0.547 117 H N -0.793 118.155 119.070 -0.203 0.000 2.549 117 H HA 0.377 4.939 4.556 0.011 0.000 0.279 117 H C 0.517 175.785 175.328 -0.099 0.000 1.018 117 H CA -0.464 55.519 56.048 -0.108 0.000 1.175 117 H CB 0.258 30.033 29.762 0.021 0.000 1.485 117 H HN 0.142 nan 8.280 nan 0.000 0.543 118 L N 1.564 122.765 121.223 -0.037 0.000 2.367 118 L HA 0.312 4.659 4.340 0.010 0.000 0.275 118 L C 0.079 176.895 176.870 -0.089 0.000 1.129 118 L CA 0.136 54.945 54.840 -0.052 0.000 0.839 118 L CB 0.743 42.776 42.059 -0.044 0.000 1.133 118 L HN 0.158 nan 8.230 nan 0.000 0.453 119 R N 4.383 124.805 120.500 -0.129 0.000 2.575 119 R HA 0.396 4.742 4.340 0.010 0.000 0.293 119 R C -2.528 173.795 176.300 0.038 0.000 0.983 119 R CA -1.729 54.315 56.100 -0.094 0.000 0.887 119 R CB 1.969 32.136 30.300 -0.222 0.000 1.184 119 R HN 0.358 nan 8.270 nan 0.000 0.445 120 P HA 0.056 nan 4.420 nan 0.000 0.271 120 P C -1.129 176.260 177.300 0.149 0.000 1.216 120 P CA -0.256 62.898 63.100 0.090 0.000 0.771 120 P CB 1.087 32.816 31.700 0.048 0.000 0.864 121 L N 2.799 124.114 121.223 0.155 0.000 2.541 121 L HA 0.373 4.719 4.340 0.010 0.000 0.266 121 L C -0.481 176.450 176.870 0.101 0.000 0.966 121 L CA -0.320 54.590 54.840 0.117 0.000 0.871 121 L CB 1.497 43.612 42.059 0.094 0.000 1.232 121 L HN 0.190 nan 8.230 nan 0.000 0.408 122 E N 2.695 122.899 120.200 0.006 0.000 2.280 122 E HA 0.286 4.642 4.350 0.010 0.000 0.261 122 E C -0.950 175.602 176.600 -0.080 0.000 1.088 122 E CA -0.504 55.843 56.400 -0.089 0.000 0.915 122 E CB 0.488 30.164 29.700 -0.040 0.000 1.141 122 E HN 0.420 nan 8.360 nan 0.000 0.433 123 Y N -0.061 120.257 120.300 0.030 0.000 2.712 123 Y HA 0.212 4.768 4.550 0.011 0.000 0.333 123 Y C 1.788 177.616 175.900 -0.119 0.000 1.225 123 Y CA 1.349 59.417 58.100 -0.053 0.000 1.499 123 Y CB 0.010 38.420 38.460 -0.084 0.000 1.288 123 Y HN 0.765 nan 8.280 nan 0.000 0.575 124 G N 1.341 110.094 108.800 -0.078 0.000 2.179 124 G HA2 -0.281 3.686 3.960 0.010 0.000 0.260 124 G HA3 -0.281 3.686 3.960 0.010 0.000 0.260 124 G C -0.060 174.684 174.900 -0.261 0.000 0.977 124 G CA -0.028 44.969 45.100 -0.171 0.000 0.641 124 G HN 0.599 nan 8.290 nan 0.000 0.533 125 E N -0.374 119.671 120.200 -0.259 0.000 2.174 125 E HA 0.429 4.786 4.350 0.010 0.000 0.282 125 E C -0.562 175.835 176.600 -0.338 0.000 0.992 125 E CA -0.829 55.458 56.400 -0.188 0.000 0.803 125 E CB 0.617 30.263 29.700 -0.089 0.000 1.090 125 E HN 0.365 nan 8.360 nan 0.000 0.396 126 W N 3.975 125.227 121.300 -0.079 0.000 2.338 126 W HA 0.278 4.943 4.660 0.009 0.000 0.307 126 W C -0.352 176.077 176.519 -0.150 0.000 1.167 126 W CA -0.681 56.596 57.345 -0.113 0.000 1.208 126 W CB 0.556 29.972 29.460 -0.074 0.000 1.228 126 W HN 0.337 nan 8.180 nan 0.000 0.499 127 L N 5.126 126.349 121.223 0.000 0.000 2.289 127 L HA 0.562 4.908 4.340 0.010 0.000 0.285 127 L C -0.361 176.485 176.870 -0.039 0.000 1.049 127 L CA -0.747 54.006 54.840 -0.144 0.000 0.804 127 L CB 0.553 42.345 42.059 -0.445 0.000 1.195 127 L HN 0.276 nan 8.230 nan 0.000 0.428 128 R N 6.366 126.844 120.500 -0.036 0.000 2.338 128 R HA 0.593 4.939 4.340 0.010 0.000 0.317 128 R C -1.459 174.829 176.300 -0.020 0.000 0.968 128 R CA -0.537 55.555 56.100 -0.014 0.000 0.849 128 R CB 1.344 31.641 30.300 -0.005 0.000 1.128 128 R HN 0.705 nan 8.270 nan 0.000 0.448 129 L N 2.500 123.715 121.223 -0.014 0.000 2.518 129 L HA 0.305 4.651 4.340 0.010 0.000 0.262 129 L C 0.881 177.751 176.870 -0.001 0.000 0.982 129 L CA -0.433 54.406 54.840 -0.001 0.000 0.873 129 L CB 1.759 43.818 42.059 -0.001 0.000 1.198 129 L HN 0.944 nan 8.230 nan 0.000 0.427 130 G N 2.811 111.611 108.800 0.001 0.000 2.591 130 G HA2 -0.353 3.613 3.960 0.010 0.000 0.298 130 G HA3 -0.353 3.613 3.960 0.010 0.000 0.298 130 G C 0.614 175.508 174.900 -0.010 0.000 1.195 130 G CA 0.483 45.581 45.100 -0.003 0.000 0.989 130 G HN 0.847 nan 8.290 nan 0.000 0.551 131 A N -0.729 122.083 122.820 -0.012 0.000 2.379 131 A HA 0.663 4.989 4.320 0.010 0.000 0.236 131 A C 0.607 178.179 177.584 -0.021 0.000 1.272 131 A CA 1.052 53.077 52.037 -0.020 0.000 0.886 131 A CB -0.021 18.968 19.000 -0.019 0.000 0.962 131 A HN 1.453 nan 8.150 nan 0.000 0.504 132 L N 0.256 121.472 121.223 -0.012 0.000 2.309 132 L HA 0.621 4.967 4.340 0.010 0.000 0.282 132 L C -0.422 176.452 176.870 0.007 0.000 1.036 132 L CA 0.040 54.879 54.840 -0.002 0.000 0.806 132 L CB 1.799 43.859 42.059 0.002 0.000 1.220 132 L HN 0.017 nan 8.230 nan 0.000 0.429 133 S N 5.515 121.236 115.700 0.035 0.000 2.519 133 S HA 0.757 5.233 4.470 0.010 0.000 0.309 133 S C -0.797 173.963 174.600 0.267 0.000 1.100 133 S CA -0.529 57.737 58.200 0.111 0.000 1.059 133 S CB 1.091 64.266 63.200 -0.041 0.000 1.008 133 S HN 0.505 nan 8.310 nan 0.000 0.478 134 L N 2.296 123.677 121.223 0.264 0.000 2.381 134 L HA 0.949 5.296 4.340 0.010 0.000 0.268 134 L C -0.299 176.460 176.870 -0.185 0.000 0.997 134 L CA -0.721 54.162 54.840 0.073 0.000 0.818 134 L CB 1.969 43.958 42.059 -0.117 0.000 1.310 134 L HN 0.759 nan 8.230 nan 0.000 0.416 135 A N 1.608 124.147 122.820 -0.468 0.000 2.594 135 A HA 0.815 5.141 4.320 0.010 0.000 0.295 135 A C -1.648 175.631 177.584 -0.508 0.000 1.071 135 A CA -0.416 51.120 52.037 -0.834 0.000 0.685 135 A CB 1.383 19.293 19.000 -1.816 0.000 1.285 135 A HN 0.372 nan 8.150 nan 0.000 0.405 136 F N 0.634 120.355 119.950 -0.382 0.000 2.379 136 F HA 0.666 5.199 4.527 0.011 0.000 0.332 136 F C 1.069 176.650 175.800 -0.366 0.000 1.096 136 F CA -0.309 57.514 58.000 -0.295 0.000 1.105 136 F CB 2.035 40.900 39.000 -0.225 0.000 1.189 136 F HN 0.750 nan 8.300 nan 0.000 0.515 137 G N 0.845 109.336 108.800 -0.515 0.000 2.498 137 G HA2 0.458 4.424 3.960 0.010 0.000 0.312 137 G HA3 0.458 4.424 3.960 0.010 0.000 0.312 137 G C -1.543 172.876 174.900 -0.801 0.000 1.230 137 G CA -0.729 43.723 45.100 -1.080 0.000 0.968 137 G HN 0.432 nan 8.290 nan 0.000 0.481 138 Q N 0.184 119.660 119.800 -0.540 0.000 2.281 138 Q HA 0.508 4.854 4.340 0.010 0.000 0.267 138 Q C 0.791 176.771 176.000 -0.034 0.000 1.053 138 Q CA 0.643 56.170 55.803 -0.460 0.000 0.905 138 Q CB 1.191 29.656 28.738 -0.455 0.000 1.195 138 Q HN 0.571 nan 8.270 nan 0.000 0.398 139 A N 3.636 126.438 122.820 -0.029 0.000 2.115 139 A HA 0.374 4.700 4.320 0.010 0.000 0.211 139 A C 1.355 178.901 177.584 -0.064 0.000 1.169 139 A CA 0.491 52.550 52.037 0.036 0.000 0.787 139 A CB -0.502 18.495 19.000 -0.005 0.000 0.858 139 A HN 1.364 nan 8.150 nan 0.000 0.474 140 G N -0.806 107.936 108.800 -0.097 0.000 2.305 140 G HA2 -0.350 3.616 3.960 0.010 0.000 0.287 140 G HA3 -0.350 3.616 3.960 0.010 0.000 0.287 140 G C 0.457 175.283 174.900 -0.124 0.000 1.036 140 G CA 1.294 46.326 45.100 -0.114 0.000 0.887 140 G HN 0.950 nan 8.290 nan 0.000 0.505 141 H N -1.052 117.852 119.070 -0.277 0.000 2.855 141 H HA 0.663 5.226 4.556 0.010 0.000 0.259 141 H C 0.832 175.919 175.328 -0.401 0.000 0.972 141 H CA 0.704 56.529 56.048 -0.372 0.000 1.213 141 H CB 0.415 29.872 29.762 -0.507 0.000 1.451 141 H HN 0.382 nan 8.280 nan 0.000 0.484 142 L N 0.479 121.402 121.223 -0.500 0.000 2.710 142 L HA 0.355 4.701 4.340 0.010 0.000 0.260 142 L C -2.653 173.991 176.870 -0.376 0.000 0.993 142 L CA -2.356 52.181 54.840 -0.506 0.000 0.877 142 L CB 2.704 44.378 42.059 -0.641 0.000 1.461 142 L HN -0.032 nan 8.230 nan 0.000 0.413 143 P HA 0.088 nan 4.420 nan 0.000 0.260 143 P C 0.641 177.632 177.300 -0.514 0.000 1.185 143 P CA 1.052 63.829 63.100 -0.537 0.000 0.763 143 P CB 0.452 31.724 31.700 -0.713 0.000 0.776 144 G N 2.229 110.776 108.800 -0.421 0.000 2.159 144 G HA2 -0.250 3.716 3.960 0.010 0.000 0.256 144 G HA3 -0.250 3.716 3.960 0.010 0.000 0.256 144 G C 0.360 175.078 174.900 -0.304 0.000 0.977 144 G CA 0.248 45.058 45.100 -0.485 0.000 0.652 144 G HN 0.768 nan 8.290 nan 0.000 0.531 145 S N -0.301 115.288 115.700 -0.184 0.000 2.576 145 S HA 0.853 5.329 4.470 0.010 0.000 0.276 145 S C 0.295 174.848 174.600 -0.078 0.000 1.339 145 S CA 0.850 58.957 58.200 -0.156 0.000 1.039 145 S CB 2.208 65.299 63.200 -0.181 0.000 0.902 145 S HN 2.059 nan 8.310 nan 0.000 0.516 146 A N 1.527 124.244 122.820 -0.172 0.000 2.602 146 A HA 0.811 5.137 4.320 0.010 0.000 0.290 146 A C -0.841 176.716 177.584 -0.045 0.000 1.114 146 A CA -1.139 50.804 52.037 -0.157 0.000 0.683 146 A CB 0.771 19.507 19.000 -0.441 0.000 1.281 146 A HN 1.280 nan 8.150 nan 0.000 0.416 147 F N -0.855 119.131 119.950 0.059 0.000 2.541 147 F HA 0.854 5.387 4.527 0.010 0.000 0.331 147 F C -0.535 175.404 175.800 0.232 0.000 1.057 147 F CA -1.288 56.739 58.000 0.046 0.000 0.975 147 F CB 1.256 40.320 39.000 0.107 0.000 1.246 147 F HN 0.294 nan 8.300 nan 0.000 0.484 148 V N 2.236 122.440 119.914 0.484 0.000 2.483 148 V HA 0.513 4.639 4.120 0.010 0.000 0.295 148 V C -0.515 175.809 176.094 0.384 0.000 1.035 148 V CA -0.887 61.646 62.300 0.389 0.000 0.896 148 V CB 1.578 33.631 31.823 0.383 0.000 0.986 148 V HN 0.724 nan 8.190 nan 0.000 0.447 149 V N 3.796 123.844 119.914 0.225 0.000 2.357 149 V HA 0.753 4.879 4.120 0.010 0.000 0.284 149 V C 0.253 176.462 176.094 0.190 0.000 1.018 149 V CA -0.410 62.030 62.300 0.235 0.000 0.841 149 V CB 1.465 33.423 31.823 0.225 0.000 0.991 149 V HN 0.992 nan 8.190 nan 0.000 0.437 150 A N 4.831 127.761 122.820 0.184 0.000 2.291 150 A HA 0.782 5.108 4.320 0.010 0.000 0.311 150 A C -0.589 177.073 177.584 0.130 0.000 1.224 150 A CA -0.530 51.595 52.037 0.146 0.000 0.821 150 A CB 1.381 20.440 19.000 0.099 0.000 1.172 150 A HN 0.607 nan 8.150 nan 0.000 0.494 151 Q N 1.871 121.749 119.800 0.130 0.000 2.310 151 Q HA 0.657 5.003 4.340 0.010 0.000 0.270 151 Q C -0.689 175.323 176.000 0.020 0.000 1.025 151 Q CA -0.167 55.676 55.803 0.066 0.000 0.772 151 Q CB 1.955 30.724 28.738 0.053 0.000 1.253 151 Q HN 1.298 nan 8.270 nan 0.000 0.450 152 G N 1.809 110.612 108.800 0.005 0.000 2.579 152 G HA2 0.355 4.321 3.960 0.010 0.000 0.292 152 G HA3 0.355 4.321 3.960 0.010 0.000 0.292 152 G C -1.024 173.869 174.900 -0.011 0.000 1.484 152 G CA -0.465 44.629 45.100 -0.010 0.000 0.813 152 G HN 0.641 nan 8.290 nan 0.000 0.515 153 E N -1.110 119.080 120.200 -0.017 0.000 2.722 153 E HA -0.244 4.112 4.350 0.010 0.000 0.265 153 E C 1.358 177.948 176.600 -0.016 0.000 1.081 153 E CA 1.349 57.740 56.400 -0.015 0.000 0.781 153 E CB -1.301 28.393 29.700 -0.011 0.000 1.372 153 E HN 2.463 nan 8.360 nan 0.000 0.423 154 G N 0.071 108.859 108.800 -0.020 0.000 2.179 154 G HA2 -0.367 3.599 3.960 0.010 0.000 0.257 154 G HA3 -0.367 3.599 3.960 0.010 0.000 0.257 154 G C 0.091 174.983 174.900 -0.014 0.000 1.010 154 G CA 0.851 45.939 45.100 -0.020 0.000 0.736 154 G HN 0.255 nan 8.290 nan 0.000 0.513 155 R N -0.985 119.510 120.500 -0.008 0.000 2.808 155 R HA 0.690 5.036 4.340 0.010 0.000 0.272 155 R C -1.074 175.233 176.300 0.011 0.000 0.995 155 R CA -0.632 55.467 56.100 -0.001 0.000 0.917 155 R CB 1.785 32.084 30.300 -0.002 0.000 1.217 155 R HN 0.121 nan 8.270 nan 0.000 0.471 156 T N 2.112 116.676 114.554 0.018 0.000 2.848 156 T HA 0.474 4.831 4.350 0.010 0.000 0.285 156 T C -1.115 173.610 174.700 0.042 0.000 0.995 156 T CA -0.601 61.523 62.100 0.040 0.000 0.970 156 T CB 1.388 70.282 68.868 0.043 0.000 0.976 156 T HN 0.323 nan 8.240 nan 0.000 0.441 157 L N 3.754 125.017 121.223 0.067 0.000 2.370 157 L HA 0.908 5.254 4.340 0.010 0.000 0.266 157 L C -1.533 175.411 176.870 0.124 0.000 1.002 157 L CA -0.652 54.232 54.840 0.073 0.000 0.818 157 L CB 1.973 44.069 42.059 0.062 0.000 1.325 157 L HN 0.457 nan 8.230 nan 0.000 0.418 158 V N 4.579 124.572 119.914 0.133 0.000 2.525 158 V HA 0.336 4.462 4.120 0.010 0.000 0.299 158 V C -1.327 174.938 176.094 0.285 0.000 1.034 158 V CA -0.474 61.950 62.300 0.207 0.000 0.863 158 V CB 1.538 33.416 31.823 0.093 0.000 0.999 158 V HN 0.734 nan 8.190 nan 0.000 0.423 159 Y N 4.227 124.657 120.300 0.217 0.000 2.342 159 Y HA 0.327 4.884 4.550 0.012 0.000 0.338 159 Y C 1.534 177.607 175.900 0.288 0.000 0.965 159 Y CA -0.037 58.169 58.100 0.177 0.000 1.159 159 Y CB 1.989 40.533 38.460 0.140 0.000 1.157 159 Y HN 0.781 nan 8.280 nan 0.000 0.486 160 S N 4.175 119.886 115.700 0.017 0.000 2.419 160 S HA 0.116 4.592 4.470 0.010 0.000 0.233 160 S C 1.299 175.642 174.600 -0.428 0.000 1.016 160 S CA 0.776 58.883 58.200 -0.156 0.000 0.974 160 S CB -0.836 62.202 63.200 -0.269 0.000 0.786 160 S HN 1.457 nan 8.310 nan 0.000 0.492 161 G N 1.528 109.739 108.800 -0.981 0.000 2.564 161 G HA2 -0.223 3.743 3.960 0.010 0.000 0.273 161 G HA3 -0.223 3.743 3.960 0.010 0.000 0.273 161 G C -1.045 173.710 174.900 -0.241 0.000 1.242 161 G CA 0.217 44.968 45.100 -0.582 0.000 0.951 161 G HN 0.517 nan 8.290 nan 0.000 0.564 162 D N 0.579 120.858 120.400 -0.202 0.000 2.233 162 D HA 0.538 5.184 4.640 0.010 0.000 0.240 162 D C 0.072 176.055 176.300 -0.527 0.000 1.074 162 D CA -0.395 53.308 54.000 -0.495 0.000 0.838 162 D CB 1.537 41.749 40.800 -0.980 0.000 1.124 162 D HN 0.238 nan 8.370 nan 0.000 0.475 163 L N 1.997 122.946 121.223 -0.457 0.000 2.326 163 L HA 0.404 4.750 4.340 0.010 0.000 0.278 163 L C 1.249 177.957 176.870 -0.271 0.000 1.092 163 L CA -0.252 54.333 54.840 -0.424 0.000 0.810 163 L CB 1.154 42.856 42.059 -0.594 0.000 1.153 163 L HN 0.363 nan 8.230 nan 0.000 0.439 164 G N 2.019 110.715 108.800 -0.173 0.000 2.616 164 G HA2 0.096 4.062 3.960 0.010 0.000 0.268 164 G HA3 0.096 4.062 3.960 0.010 0.000 0.268 164 G C -0.112 174.744 174.900 -0.073 0.000 1.213 164 G CA -0.565 44.485 45.100 -0.082 0.000 0.926 164 G HN 0.750 nan 8.290 nan 0.000 0.523 165 N N -0.480 118.182 118.700 -0.063 0.000 2.558 165 N HA 0.090 4.837 4.740 0.010 0.000 0.233 165 N C 1.811 177.269 175.510 -0.086 0.000 1.038 165 N CA -0.560 52.459 53.050 -0.052 0.000 0.934 165 N CB 0.343 38.771 38.487 -0.099 0.000 1.175 165 N HN 0.591 nan 8.380 nan 0.000 0.512 166 R N 2.466 122.933 120.500 -0.056 0.000 2.261 166 R HA -0.154 4.192 4.340 0.010 0.000 0.236 166 R C 0.609 176.865 176.300 -0.074 0.000 1.141 166 R CA 1.246 57.312 56.100 -0.057 0.000 1.001 166 R CB -0.160 30.131 30.300 -0.016 0.000 0.866 166 R HN 0.608 nan 8.270 nan 0.000 0.468 167 E N 1.051 121.205 120.200 -0.077 0.000 2.274 167 E HA -0.034 4.323 4.350 0.010 0.000 0.194 167 E C 0.095 176.524 176.600 -0.285 0.000 0.996 167 E CA 0.563 56.921 56.400 -0.070 0.000 0.840 167 E CB 0.165 29.883 29.700 0.030 0.000 0.772 167 E HN 0.385 nan 8.360 nan 0.000 0.491 168 K N 0.752 120.846 120.400 -0.510 0.000 2.230 168 K HA -0.000 4.326 4.320 0.010 0.000 0.253 168 K C 0.352 176.681 176.600 -0.451 0.000 1.008 168 K CA -0.026 55.701 56.287 -0.934 0.000 0.910 168 K CB 0.520 32.637 32.500 -0.638 0.000 0.994 168 K HN -0.108 nan 8.250 nan 0.000 0.495 169 D N 0.034 120.232 120.400 -0.336 0.000 2.380 169 D HA -0.036 4.610 4.640 0.010 0.000 0.212 169 D C 1.648 177.875 176.300 -0.122 0.000 1.021 169 D CA 0.515 54.470 54.000 -0.075 0.000 0.884 169 D CB 0.195 41.099 40.800 0.174 0.000 1.001 169 D HN 0.144 nan 8.370 nan 0.000 0.506 170 V N 0.883 120.685 119.914 -0.186 0.000 2.358 170 V HA -0.117 4.009 4.120 0.010 0.000 0.246 170 V C 0.823 176.951 176.094 0.057 0.000 1.047 170 V CA 1.022 63.221 62.300 -0.169 0.000 1.035 170 V CB -0.164 31.630 31.823 -0.048 0.000 0.658 170 V HN 0.073 nan 8.190 nan 0.000 0.452 171 L N 0.860 122.085 121.223 0.004 0.000 2.331 171 L HA 0.508 4.855 4.340 0.010 0.000 0.275 171 L C -2.156 174.691 176.870 -0.038 0.000 1.022 171 L CA -2.626 52.210 54.840 -0.007 0.000 0.812 171 L CB 0.776 42.789 42.059 -0.077 0.000 1.257 171 L HN 0.007 nan 8.230 nan 0.000 0.435 172 P HA 0.051 nan 4.420 nan 0.000 0.272 172 P C -0.929 176.331 177.300 -0.065 0.000 1.230 172 P CA -0.481 62.586 63.100 -0.056 0.000 0.788 172 P CB 0.568 32.218 31.700 -0.084 0.000 0.949 173 D N 1.952 122.325 120.400 -0.045 0.000 2.443 173 D HA 0.128 4.774 4.640 0.010 0.000 0.239 173 D C -1.950 174.340 176.300 -0.017 0.000 1.136 173 D CA -0.637 53.346 54.000 -0.028 0.000 0.879 173 D CB -0.701 40.097 40.800 -0.003 0.000 1.195 173 D HN 0.220 nan 8.370 nan 0.000 0.443 174 P HA -0.005 nan 4.420 nan 0.000 0.267 174 P C -0.198 177.198 177.300 0.159 0.000 1.200 174 P CA -0.034 63.099 63.100 0.055 0.000 0.772 174 P CB 0.606 32.300 31.700 -0.009 0.000 0.855 175 S N 2.630 118.494 115.700 0.273 0.000 2.601 175 S HA 0.301 4.777 4.470 0.010 0.000 0.271 175 S C 0.048 174.891 174.600 0.406 0.000 1.305 175 S CA -0.677 57.698 58.200 0.293 0.000 1.022 175 S CB -0.101 63.275 63.200 0.292 0.000 0.940 175 S HN 0.243 nan 8.310 nan 0.000 0.525 176 L N 4.478 125.820 121.223 0.197 0.000 2.473 176 L HA 0.382 4.728 4.340 0.010 0.000 0.268 176 L C -1.654 175.127 176.870 -0.148 0.000 1.215 176 L CA -1.586 53.236 54.840 -0.030 0.000 0.823 176 L CB 0.496 42.506 42.059 -0.083 0.000 1.099 176 L HN 0.613 nan 8.230 nan 0.000 0.483 177 P HA 0.337 nan 4.420 nan 0.000 0.285 177 P C -2.705 174.425 177.300 -0.284 0.000 1.269 177 P CA -1.752 60.997 63.100 -0.585 0.000 0.844 177 P CB 0.772 31.734 31.700 -1.229 0.000 1.094 178 P HA 0.152 nan 4.420 nan 0.000 0.274 178 P C -0.220 177.018 177.300 -0.103 0.000 1.246 178 P CA -0.468 62.609 63.100 -0.037 0.000 0.795 178 P CB 0.467 32.209 31.700 0.071 0.000 1.006 179 L N 1.059 122.236 121.223 -0.075 0.000 2.499 179 L HA 0.382 4.729 4.340 0.010 0.000 0.273 179 L C -0.156 176.680 176.870 -0.057 0.000 1.195 179 L CA 0.346 55.136 54.840 -0.084 0.000 0.882 179 L CB -0.704 41.321 42.059 -0.057 0.000 1.133 179 L HN 0.596 nan 8.230 nan 0.000 0.483 180 A N 3.858 126.637 122.820 -0.068 0.000 2.498 180 A HA 0.443 4.769 4.320 0.010 0.000 0.298 180 A C 0.446 178.012 177.584 -0.030 0.000 1.075 180 A CA -0.548 51.468 52.037 -0.036 0.000 0.714 180 A CB 0.778 19.761 19.000 -0.029 0.000 1.299 180 A HN 0.776 nan 8.150 nan 0.000 0.407 181 D N -0.397 119.994 120.400 -0.014 0.000 2.218 181 D HA -0.000 4.646 4.640 0.010 0.000 0.204 181 D C -0.052 176.240 176.300 -0.013 0.000 0.976 181 D CA 1.677 55.669 54.000 -0.014 0.000 0.853 181 D CB 0.167 40.963 40.800 -0.008 0.000 0.939 181 D HN 0.293 nan 8.370 nan 0.000 0.481 182 L N -0.137 121.082 121.223 -0.008 0.000 2.505 182 L HA 0.299 4.645 4.340 0.010 0.000 0.259 182 L C -1.708 175.166 176.870 0.007 0.000 0.952 182 L CA -0.702 54.135 54.840 -0.004 0.000 0.840 182 L CB 2.534 44.592 42.059 -0.002 0.000 1.358 182 L HN -0.358 nan 8.230 nan 0.000 0.409 183 V N 4.849 124.769 119.914 0.011 0.000 2.443 183 V HA 0.474 4.600 4.120 0.010 0.000 0.293 183 V C -0.746 175.394 176.094 0.077 0.000 1.021 183 V CA -0.543 61.782 62.300 0.042 0.000 0.848 183 V CB 1.606 33.431 31.823 0.003 0.000 0.998 183 V HN 0.644 nan 8.190 nan 0.000 0.424 184 L N 5.450 126.745 121.223 0.119 0.000 2.261 184 L HA 0.854 5.201 4.340 0.010 0.000 0.289 184 L C 0.201 177.189 176.870 0.197 0.000 1.059 184 L CA 0.208 55.108 54.840 0.099 0.000 0.816 184 L CB 0.600 42.674 42.059 0.026 0.000 1.191 184 L HN 0.798 nan 8.230 nan 0.000 0.431 185 A N 4.120 127.029 122.820 0.148 0.000 2.435 185 A HA 0.697 5.023 4.320 0.010 0.000 0.304 185 A C -0.734 176.912 177.584 0.103 0.000 1.064 185 A CA -0.701 51.426 52.037 0.151 0.000 0.727 185 A CB 1.050 20.183 19.000 0.221 0.000 1.284 185 A HN 0.770 nan 8.150 nan 0.000 0.415 186 E N 0.319 120.549 120.200 0.051 0.000 2.371 186 E HA 0.529 4.886 4.350 0.010 0.000 0.257 186 E C 0.437 177.061 176.600 0.041 0.000 1.134 186 E CA -0.035 56.403 56.400 0.063 0.000 0.919 186 E CB 0.819 30.480 29.700 -0.065 0.000 1.025 186 E HN 0.829 nan 8.360 nan 0.000 0.438 187 G N 1.041 109.875 108.800 0.058 0.000 5.252 187 G HA2 0.058 4.024 3.960 0.010 0.000 0.214 187 G HA3 0.058 4.024 3.960 0.010 0.000 0.214 187 G C 0.455 175.352 174.900 -0.006 0.000 0.817 187 G CA -0.047 45.072 45.100 0.030 0.000 0.715 187 G HN 0.488 nan 8.290 nan 0.000 0.480 188 T N 0.256 114.792 114.554 -0.030 0.000 2.653 188 T HA -0.222 4.134 4.350 0.010 0.000 0.268 188 T C 1.048 175.568 174.700 -0.300 0.000 1.035 188 T CA 1.389 63.381 62.100 -0.179 0.000 1.154 188 T CB -0.199 68.432 68.868 -0.396 0.000 0.862 188 T HN 0.354 nan 8.240 nan 0.000 0.441 189 Y N 1.040 121.277 120.300 -0.106 0.000 2.833 189 Y HA 0.493 5.050 4.550 0.010 0.000 0.339 189 Y C 1.773 177.627 175.900 -0.076 0.000 1.032 189 Y CA -1.137 56.908 58.100 -0.092 0.000 1.450 189 Y CB -0.216 38.164 38.460 -0.134 0.000 1.296 189 Y HN 0.194 nan 8.280 nan 0.000 0.535 190 G N 0.207 109.015 108.800 0.013 0.000 2.479 190 G HA2 -0.278 3.689 3.960 0.010 0.000 0.220 190 G HA3 -0.278 3.689 3.960 0.010 0.000 0.220 190 G C 1.352 176.262 174.900 0.017 0.000 1.115 190 G CA 1.349 46.460 45.100 0.018 0.000 0.757 190 G HN 0.518 nan 8.290 nan 0.000 0.560 191 D N -0.105 120.300 120.400 0.008 0.000 2.333 191 D HA 0.087 4.733 4.640 0.010 0.000 0.208 191 D C 1.036 177.356 176.300 0.033 0.000 0.984 191 D CA 0.094 54.103 54.000 0.015 0.000 0.873 191 D CB 0.149 40.951 40.800 0.004 0.000 0.935 191 D HN 0.467 nan 8.370 nan 0.000 0.521 192 R N -1.279 119.252 120.500 0.053 0.000 2.690 192 R HA 0.568 4.914 4.340 0.010 0.000 0.269 192 R C -3.112 173.170 176.300 -0.030 0.000 1.037 192 R CA -1.538 54.587 56.100 0.041 0.000 0.877 192 R CB -0.026 30.319 30.300 0.076 0.000 1.255 192 R HN -0.213 nan 8.270 nan 0.000 0.467 193 P HA 0.311 nan 4.420 nan 0.000 0.280 193 P C -0.859 176.336 177.300 -0.176 0.000 1.272 193 P CA -0.384 62.621 63.100 -0.158 0.000 0.819 193 P CB 0.786 32.459 31.700 -0.045 0.000 1.122 194 H N -0.185 118.874 119.070 -0.018 0.000 2.508 194 H HA 0.321 4.883 4.556 0.010 0.000 0.344 194 H C 0.567 175.903 175.328 0.013 0.000 1.192 194 H CA -0.424 55.611 56.048 -0.022 0.000 1.290 194 H CB 0.739 30.449 29.762 -0.087 0.000 1.571 194 H HN 0.359 nan 8.280 nan 0.000 0.555 195 R N 1.672 122.275 120.500 0.171 0.000 2.623 195 R HA 0.100 4.447 4.340 0.010 0.000 0.271 195 R C -2.511 173.836 176.300 0.079 0.000 1.043 195 R CA -0.846 55.311 56.100 0.096 0.000 1.083 195 R CB -0.244 30.101 30.300 0.075 0.000 0.974 195 R HN 0.328 nan 8.270 nan 0.000 0.436 196 P HA -0.082 nan 4.420 nan 0.000 0.266 196 P C -0.457 176.863 177.300 0.034 0.000 1.193 196 P CA 0.290 63.425 63.100 0.058 0.000 0.770 196 P CB 0.220 31.943 31.700 0.039 0.000 0.836 197 Y N 3.699 123.955 120.300 -0.073 0.000 2.114 197 Y HA -0.264 4.292 4.550 0.011 0.000 0.284 197 Y C 2.351 178.168 175.900 -0.138 0.000 1.143 197 Y CA 1.500 59.514 58.100 -0.144 0.000 1.135 197 Y CB -0.044 38.356 38.460 -0.099 0.000 0.980 197 Y HN 0.211 nan 8.280 nan 0.000 0.499 198 R N 0.323 120.740 120.500 -0.139 0.000 2.083 198 R HA -0.222 4.124 4.340 0.010 0.000 0.237 198 R C 2.276 178.446 176.300 -0.216 0.000 1.137 198 R CA 2.056 58.034 56.100 -0.203 0.000 0.951 198 R CB -0.472 29.816 30.300 -0.020 0.000 0.851 198 R HN 0.673 nan 8.270 nan 0.000 0.434 199 E N -0.404 119.714 120.200 -0.136 0.000 2.274 199 E HA -0.098 4.258 4.350 0.010 0.000 0.194 199 E C 1.268 177.782 176.600 -0.144 0.000 0.996 199 E CA 1.323 57.660 56.400 -0.105 0.000 0.840 199 E CB -0.097 29.574 29.700 -0.048 0.000 0.772 199 E HN 0.102 nan 8.360 nan 0.000 0.491 200 T N 0.863 115.270 114.554 -0.245 0.000 2.857 200 T HA -0.066 4.290 4.350 0.010 0.000 0.266 200 T C 1.972 176.469 174.700 -0.338 0.000 1.048 200 T CA 1.189 63.106 62.100 -0.305 0.000 1.139 200 T CB -0.044 68.528 68.868 -0.493 0.000 0.874 200 T HN 0.054 nan 8.240 nan 0.000 0.455 201 V N 1.483 121.107 119.914 -0.484 0.000 2.307 201 V HA -0.142 3.984 4.120 0.010 0.000 0.245 201 V C 2.613 178.651 176.094 -0.093 0.000 1.045 201 V CA 1.526 63.657 62.300 -0.282 0.000 1.024 201 V CB -0.547 31.048 31.823 -0.380 0.000 0.651 201 V HN 0.363 nan 8.190 nan 0.000 0.449 202 R N -0.076 120.334 120.500 -0.150 0.000 2.096 202 R HA -0.258 4.088 4.340 0.010 0.000 0.240 202 R C 2.416 178.680 176.300 -0.062 0.000 1.139 202 R CA 2.117 58.149 56.100 -0.113 0.000 0.952 202 R CB -0.387 29.856 30.300 -0.095 0.000 0.854 202 R HN 0.661 nan 8.270 nan 0.000 0.436 203 E N 0.128 120.309 120.200 -0.030 0.000 2.110 203 E HA -0.212 4.144 4.350 0.010 0.000 0.193 203 E C 1.767 178.385 176.600 0.031 0.000 0.988 203 E CA 0.980 57.381 56.400 0.001 0.000 0.804 203 E CB -0.140 29.578 29.700 0.030 0.000 0.745 203 E HN 0.314 nan 8.360 nan 0.000 0.458 204 F N 0.989 120.908 119.950 -0.052 0.000 2.126 204 F HA -0.195 4.338 4.527 0.011 0.000 0.299 204 F C 1.874 177.638 175.800 -0.059 0.000 1.096 204 F CA 1.316 59.319 58.000 0.005 0.000 1.255 204 F CB 0.020 39.122 39.000 0.171 0.000 0.997 204 F HN 0.008 nan 8.300 nan 0.000 0.479 205 L N 0.075 121.237 121.223 -0.101 0.000 2.093 205 L HA -0.177 4.170 4.340 0.010 0.000 0.208 205 L C 2.297 179.030 176.870 -0.229 0.000 1.085 205 L CA 1.435 56.136 54.840 -0.231 0.000 0.755 205 L CB -0.731 41.221 42.059 -0.179 0.000 0.904 205 L HN 0.175 nan 8.230 nan 0.000 0.435 206 E N 0.361 120.462 120.200 -0.166 0.000 2.110 206 E HA -0.203 4.154 4.350 0.010 0.000 0.193 206 E C 2.281 178.777 176.600 -0.174 0.000 0.988 206 E CA 1.144 57.461 56.400 -0.139 0.000 0.804 206 E CB -0.087 29.559 29.700 -0.089 0.000 0.745 206 E HN 0.496 nan 8.360 nan 0.000 0.458 207 I N 0.942 121.367 120.570 -0.242 0.000 2.286 207 I HA -0.272 3.904 4.170 0.010 0.000 0.248 207 I C 2.307 178.243 176.117 -0.301 0.000 1.115 207 I CA 0.957 62.068 61.300 -0.315 0.000 1.392 207 I CB -0.192 37.517 38.000 -0.485 0.000 1.065 207 I HN 0.115 nan 8.210 nan 0.000 0.418 208 L N 0.268 121.265 121.223 -0.377 0.000 2.027 208 L HA -0.185 4.161 4.340 0.010 0.000 0.206 208 L C 2.565 179.307 176.870 -0.214 0.000 1.074 208 L CA 1.458 56.095 54.840 -0.338 0.000 0.745 208 L CB -0.573 41.218 42.059 -0.447 0.000 0.898 208 L HN 0.214 nan 8.230 nan 0.000 0.433 209 E N -0.109 119.977 120.200 -0.189 0.000 2.038 209 E HA -0.257 4.099 4.350 0.010 0.000 0.195 209 E C 2.206 178.743 176.600 -0.104 0.000 1.000 209 E CA 1.047 57.367 56.400 -0.133 0.000 0.803 209 E CB -0.054 29.575 29.700 -0.118 0.000 0.750 209 E HN 0.199 nan 8.360 nan 0.000 0.448 210 K N 0.491 120.829 120.400 -0.103 0.000 2.020 210 K HA -0.151 4.175 4.320 0.010 0.000 0.212 210 K C 2.214 178.775 176.600 -0.064 0.000 1.050 210 K CA 1.781 58.025 56.287 -0.072 0.000 0.929 210 K CB -0.538 31.923 32.500 -0.064 0.000 0.714 210 K HN 0.113 nan 8.250 nan 0.000 0.443 211 T N 2.043 116.547 114.554 -0.084 0.000 2.777 211 T HA -0.064 4.292 4.350 0.010 0.000 0.266 211 T C 2.026 176.690 174.700 -0.059 0.000 1.040 211 T CA 1.186 63.247 62.100 -0.065 0.000 1.141 211 T CB -0.096 68.724 68.868 -0.080 0.000 0.868 211 T HN 0.146 nan 8.240 nan 0.000 0.444 212 L N 0.735 121.911 121.223 -0.078 0.000 2.109 212 L HA -0.022 4.324 4.340 0.010 0.000 0.207 212 L C 2.812 179.652 176.870 -0.051 0.000 1.086 212 L CA 0.771 55.572 54.840 -0.065 0.000 0.760 212 L CB -0.522 41.486 42.059 -0.084 0.000 0.910 212 L HN 0.194 nan 8.230 nan 0.000 0.437 213 S N -0.129 115.538 115.700 -0.054 0.000 2.419 213 S HA -0.208 4.268 4.470 0.010 0.000 0.233 213 S C 1.734 176.316 174.600 -0.030 0.000 1.016 213 S CA 1.362 59.537 58.200 -0.042 0.000 0.974 213 S CB -0.198 62.975 63.200 -0.044 0.000 0.786 213 S HN 0.598 nan 8.310 nan 0.000 0.492 214 Q N 0.004 119.787 119.800 -0.028 0.000 2.319 214 Q HA 0.373 4.720 4.340 0.010 0.000 0.202 214 Q C 0.981 176.972 176.000 -0.014 0.000 0.896 214 Q CA 0.534 56.326 55.803 -0.018 0.000 0.942 214 Q CB 0.104 28.833 28.738 -0.015 0.000 1.083 214 Q HN 0.372 nan 8.270 nan 0.000 0.510 215 G N 0.126 108.916 108.800 -0.016 0.000 2.136 215 G HA2 -0.232 3.734 3.960 0.010 0.000 0.242 215 G HA3 -0.232 3.734 3.960 0.010 0.000 0.242 215 G C 0.286 175.183 174.900 -0.004 0.000 0.989 215 G CA -0.210 44.885 45.100 -0.009 0.000 0.682 215 G HN 0.706 nan 8.290 nan 0.000 0.522 216 G N -0.728 108.066 108.800 -0.010 0.000 2.535 216 G HA2 0.629 4.595 3.960 0.010 0.000 0.303 216 G HA3 0.629 4.595 3.960 0.010 0.000 0.303 216 G C -0.148 174.749 174.900 -0.005 0.000 1.237 216 G CA -0.728 44.369 45.100 -0.004 0.000 0.986 216 G HN 0.388 nan 8.290 nan 0.000 0.494 217 K N -0.398 120.003 120.400 0.001 0.000 2.182 217 K HA 0.473 4.799 4.320 0.010 0.000 0.262 217 K C -1.048 175.541 176.600 -0.020 0.000 0.957 217 K CA -0.638 55.650 56.287 0.001 0.000 0.842 217 K CB 2.587 35.099 32.500 0.020 0.000 1.099 217 K HN 0.136 nan 8.250 nan 0.000 0.438 218 V N 4.716 124.607 119.914 -0.038 0.000 2.318 218 V HA 0.151 4.277 4.120 0.010 0.000 0.271 218 V C -0.617 175.440 176.094 -0.061 0.000 1.030 218 V CA -0.822 61.440 62.300 -0.063 0.000 0.844 218 V CB 0.569 32.330 31.823 -0.105 0.000 1.015 218 V HN 0.496 nan 8.190 nan 0.000 0.460 219 L N 6.921 128.102 121.223 -0.070 0.000 2.275 219 L HA 0.553 4.899 4.340 0.010 0.000 0.288 219 L C -0.094 176.700 176.870 -0.126 0.000 1.046 219 L CA -0.111 54.669 54.840 -0.101 0.000 0.805 219 L CB 1.090 43.099 42.059 -0.084 0.000 1.193 219 L HN 0.462 nan 8.230 nan 0.000 0.426 220 I N 5.243 125.740 120.570 -0.121 0.000 2.466 220 I HA 0.315 4.491 4.170 0.010 0.000 0.279 220 I C -2.350 173.685 176.117 -0.137 0.000 1.033 220 I CA -1.744 59.484 61.300 -0.120 0.000 1.123 220 I CB 1.882 39.850 38.000 -0.053 0.000 1.237 220 I HN 0.347 nan 8.210 nan 0.000 0.460 221 P HA 0.199 nan 4.420 nan 0.000 0.276 221 P C -0.620 176.566 177.300 -0.189 0.000 1.230 221 P CA 0.052 63.076 63.100 -0.127 0.000 0.776 221 P CB 0.930 32.587 31.700 -0.071 0.000 0.888 222 T N -0.260 114.171 114.554 -0.204 0.000 2.894 222 T HA 0.582 4.938 4.350 0.010 0.000 0.309 222 T C -0.546 174.017 174.700 -0.228 0.000 1.208 222 T CA -0.787 61.140 62.100 -0.288 0.000 1.016 222 T CB 0.534 69.314 68.868 -0.148 0.000 1.192 222 T HN -0.009 nan 8.240 nan 0.000 0.491 223 F N 0.987 120.964 119.950 0.045 0.000 2.418 223 F HA 0.532 5.066 4.527 0.011 0.000 0.341 223 F C 1.859 177.674 175.800 0.026 0.000 1.120 223 F CA -0.700 57.325 58.000 0.041 0.000 1.232 223 F CB 0.695 39.719 39.000 0.040 0.000 1.175 223 F HN 0.860 nan 8.300 nan 0.000 0.569 224 A N 2.087 125.032 122.820 0.209 0.000 1.970 224 A HA -0.007 4.319 4.320 0.010 0.000 0.216 224 A C 1.980 179.616 177.584 0.087 0.000 1.170 224 A CA 1.025 53.127 52.037 0.107 0.000 0.645 224 A CB -0.710 18.341 19.000 0.084 0.000 0.816 224 A HN 0.620 nan 8.150 nan 0.000 0.447 225 V N -0.518 119.486 119.914 0.150 0.000 2.307 225 V HA -0.136 3.991 4.120 0.010 0.000 0.245 225 V C 2.336 178.498 176.094 0.113 0.000 1.045 225 V CA 2.258 64.644 62.300 0.143 0.000 1.024 225 V CB -0.224 31.757 31.823 0.263 0.000 0.651 225 V HN 0.714 nan 8.190 nan 0.000 0.449 226 E N -1.260 119.032 120.200 0.153 0.000 2.608 226 E HA 0.022 4.378 4.350 0.010 0.000 0.204 226 E C 2.088 178.759 176.600 0.119 0.000 0.884 226 E CA -0.094 56.382 56.400 0.125 0.000 1.533 226 E CB 0.363 30.098 29.700 0.057 0.000 1.559 226 E HN 0.266 nan 8.360 nan 0.000 0.864 227 R N 1.622 122.221 120.500 0.167 0.000 2.070 227 R HA 0.056 4.402 4.340 0.010 0.000 0.233 227 R C 2.129 178.451 176.300 0.036 0.000 1.137 227 R CA 2.231 58.414 56.100 0.138 0.000 0.945 227 R CB -0.890 29.564 30.300 0.257 0.000 0.845 227 R HN 0.143 nan 8.270 nan 0.000 0.430 228 A N 0.147 122.980 122.820 0.022 0.000 1.892 228 A HA -0.249 4.078 4.320 0.010 0.000 0.218 228 A C 2.084 179.667 177.584 -0.001 0.000 1.188 228 A CA 1.937 53.962 52.037 -0.020 0.000 0.631 228 A CB -0.651 18.335 19.000 -0.024 0.000 0.822 228 A HN 0.457 nan 8.150 nan 0.000 0.447 229 Q N -0.581 119.205 119.800 -0.024 0.000 2.170 229 Q HA -0.134 4.212 4.340 0.010 0.000 0.203 229 Q C 1.935 178.092 176.000 0.261 0.000 0.976 229 Q CA 1.655 57.462 55.803 0.006 0.000 0.858 229 Q CB -0.305 28.230 28.738 -0.338 0.000 0.907 229 Q HN 0.870 nan 8.270 nan 0.000 0.433 230 E N -0.049 120.278 120.200 0.211 0.000 2.106 230 E HA -0.174 4.182 4.350 0.010 0.000 0.192 230 E C 1.494 178.229 176.600 0.225 0.000 0.984 230 E CA 0.794 57.361 56.400 0.278 0.000 0.806 230 E CB 0.084 29.898 29.700 0.190 0.000 0.750 230 E HN 0.236 nan 8.360 nan 0.000 0.458 231 I N 1.202 121.793 120.570 0.036 0.000 2.202 231 I HA -0.261 3.915 4.170 0.010 0.000 0.242 231 I C 2.449 178.634 176.117 0.113 0.000 1.091 231 I CA 1.068 62.321 61.300 -0.078 0.000 1.368 231 I CB -1.138 36.755 38.000 -0.179 0.000 1.058 231 I HN 0.290 nan 8.210 nan 0.000 0.410 232 L N -0.484 120.829 121.223 0.150 0.000 2.043 232 L HA -0.302 4.045 4.340 0.010 0.000 0.212 232 L C 2.732 179.732 176.870 0.217 0.000 1.075 232 L CA 1.690 56.636 54.840 0.177 0.000 0.752 232 L CB -0.933 41.237 42.059 0.185 0.000 0.891 232 L HN 0.202 nan 8.230 nan 0.000 0.432 233 Y N 0.141 120.535 120.300 0.156 0.000 2.181 233 Y HA -0.215 4.341 4.550 0.011 0.000 0.288 233 Y C 2.393 178.349 175.900 0.094 0.000 1.146 233 Y CA 1.525 59.633 58.100 0.014 0.000 1.164 233 Y CB -0.178 38.296 38.460 0.023 0.000 0.982 233 Y HN -0.163 nan 8.280 nan 0.000 0.515 234 V N 0.387 120.455 119.914 0.256 0.000 2.427 234 V HA -0.312 3.814 4.120 0.010 0.000 0.248 234 V C 2.382 178.611 176.094 0.225 0.000 1.051 234 V CA 1.912 64.381 62.300 0.281 0.000 1.048 234 V CB -0.667 31.382 31.823 0.376 0.000 0.666 234 V HN 0.440 nan 8.190 nan 0.000 0.456 235 L N -1.439 119.900 121.223 0.193 0.000 2.141 235 L HA -0.188 4.158 4.340 0.010 0.000 0.209 235 L C 2.421 179.298 176.870 0.012 0.000 1.094 235 L CA 1.819 56.736 54.840 0.128 0.000 0.763 235 L CB -0.638 41.489 42.059 0.113 0.000 0.908 235 L HN 0.411 nan 8.230 nan 0.000 0.437 236 Y N 1.430 121.625 120.300 -0.175 0.000 2.133 236 Y HA -0.279 4.278 4.550 0.011 0.000 0.287 236 Y C 2.905 178.587 175.900 -0.362 0.000 1.134 236 Y CA 2.159 60.085 58.100 -0.290 0.000 1.133 236 Y CB -0.296 37.909 38.460 -0.425 0.000 0.987 236 Y HN 0.228 nan 8.280 nan 0.000 0.502 237 T N -2.875 111.483 114.554 -0.326 0.000 3.072 237 T HA -0.102 4.254 4.350 0.010 0.000 0.266 237 T C 0.906 175.251 174.700 -0.591 0.000 1.127 237 T CA 1.524 63.323 62.100 -0.502 0.000 1.107 237 T CB -0.320 68.165 68.868 -0.640 0.000 0.910 237 T HN 0.535 nan 8.240 nan 0.000 0.513 238 H N -0.897 118.114 119.070 -0.098 0.000 3.233 238 H HA 0.387 4.950 4.556 0.010 0.000 0.263 238 H C 2.254 177.393 175.328 -0.315 0.000 1.168 238 H CA 0.084 56.030 56.048 -0.170 0.000 1.159 238 H CB 0.073 29.769 29.762 -0.111 0.000 1.593 238 H HN 0.469 nan 8.280 nan 0.000 0.580 239 G N 1.677 110.391 108.800 -0.143 0.000 2.507 239 G HA2 -0.361 3.606 3.960 0.010 0.000 0.221 239 G HA3 -0.361 3.606 3.960 0.010 0.000 0.221 239 G C 1.528 176.326 174.900 -0.170 0.000 1.119 239 G CA 1.607 46.616 45.100 -0.152 0.000 0.751 239 G HN 0.609 nan 8.290 nan 0.000 0.574 240 H N 1.310 120.311 119.070 -0.115 0.000 2.426 240 H HA -0.090 4.472 4.556 0.010 0.000 0.298 240 H C 2.103 177.395 175.328 -0.059 0.000 1.107 240 H CA 1.572 57.562 56.048 -0.096 0.000 1.298 240 H CB -0.248 29.452 29.762 -0.103 0.000 1.377 240 H HN 0.517 nan 8.280 nan 0.000 0.519 241 R N 0.362 120.511 120.500 -0.584 0.000 2.546 241 R HA 0.394 4.740 4.340 0.010 0.000 0.320 241 R C -0.712 175.467 176.300 -0.202 0.000 1.021 241 R CA -0.200 55.722 56.100 -0.298 0.000 1.088 241 R CB -0.135 29.966 30.300 -0.331 0.000 1.278 241 R HN 0.257 nan 8.270 nan 0.000 0.557 242 L N 1.949 123.062 121.223 -0.182 0.000 2.331 242 L HA 0.602 4.948 4.340 0.010 0.000 0.275 242 L C -1.951 174.856 176.870 -0.105 0.000 1.022 242 L CA -2.761 51.994 54.840 -0.140 0.000 0.812 242 L CB 1.726 43.701 42.059 -0.140 0.000 1.257 242 L HN 0.060 nan 8.230 nan 0.000 0.435 243 P HA 0.074 nan 4.420 nan 0.000 0.268 243 P C -0.836 176.421 177.300 -0.072 0.000 1.205 243 P CA -0.269 62.788 63.100 -0.072 0.000 0.771 243 P CB 0.510 32.170 31.700 -0.066 0.000 0.858 244 R N 1.361 121.825 120.500 -0.061 0.000 2.522 244 R HA 0.485 4.831 4.340 0.010 0.000 0.284 244 R C 0.132 176.396 176.300 -0.060 0.000 1.032 244 R CA 0.275 56.338 56.100 -0.062 0.000 1.049 244 R CB 0.231 30.500 30.300 -0.052 0.000 0.956 244 R HN 0.664 nan 8.270 nan 0.000 0.422 245 A N 4.685 127.461 122.820 -0.073 0.000 2.599 245 A HA 0.450 4.776 4.320 0.010 0.000 0.294 245 A C -2.660 174.852 177.584 -0.119 0.000 1.055 245 A CA -1.332 50.662 52.037 -0.072 0.000 0.683 245 A CB 1.650 20.615 19.000 -0.059 0.000 1.278 245 A HN 0.486 nan 8.150 nan 0.000 0.412 246 P HA 0.458 nan 4.420 nan 0.000 0.271 246 P C -0.866 176.174 177.300 -0.434 0.000 1.216 246 P CA 0.198 63.077 63.100 -0.368 0.000 0.776 246 P CB 0.644 32.045 31.700 -0.498 0.000 0.881 247 I N 3.422 123.715 120.570 -0.462 0.000 2.390 247 I HA 0.221 4.397 4.170 0.010 0.000 0.283 247 I C -0.381 175.536 176.117 -0.333 0.000 1.016 247 I CA -0.818 60.312 61.300 -0.282 0.000 1.151 247 I CB 0.545 38.463 38.000 -0.137 0.000 1.293 247 I HN 0.260 nan 8.210 nan 0.000 0.458 248 Y N 6.317 126.597 120.300 -0.033 0.000 2.454 248 Y HA 0.292 4.848 4.550 0.010 0.000 0.345 248 Y C 0.116 175.990 175.900 -0.043 0.000 0.970 248 Y CA -0.804 57.276 58.100 -0.034 0.000 1.204 248 Y CB 1.046 39.485 38.460 -0.034 0.000 1.122 248 Y HN 0.428 nan 8.280 nan 0.000 0.514 249 L N 4.706 125.983 121.223 0.091 0.000 2.387 249 L HA 0.207 4.553 4.340 0.010 0.000 0.267 249 L C 0.172 177.076 176.870 0.057 0.000 1.197 249 L CA -0.031 54.834 54.840 0.043 0.000 1.070 249 L CB -0.422 41.645 42.059 0.013 0.000 1.349 249 L HN 0.510 nan 8.230 nan 0.000 0.422 250 D N 2.014 122.451 120.400 0.061 0.000 2.767 250 D HA 0.089 4.735 4.640 0.010 0.000 0.231 250 D C -0.511 175.822 176.300 0.055 0.000 1.105 250 D CA 0.394 54.434 54.000 0.067 0.000 1.024 250 D CB -0.076 40.777 40.800 0.089 0.000 1.123 250 D HN 0.365 nan 8.370 nan 0.000 0.470 251 S N 1.406 117.126 115.700 0.033 0.000 2.536 251 S HA 0.347 4.824 4.470 0.010 0.000 0.246 251 S C -2.195 172.411 174.600 0.010 0.000 1.077 251 S CA -1.072 57.145 58.200 0.028 0.000 1.091 251 S CB 1.441 64.658 63.200 0.027 0.000 1.148 251 S HN -0.094 nan 8.310 nan 0.000 0.447 252 P HA -0.172 nan 4.420 nan 0.000 0.214 252 P C 1.702 179.002 177.300 -0.000 0.000 1.163 252 P CA 1.235 64.329 63.100 -0.009 0.000 0.889 252 P CB 0.006 31.704 31.700 -0.004 0.000 0.790 253 M N -0.014 119.596 119.600 0.016 0.000 2.073 253 M HA -0.190 4.297 4.480 0.010 0.000 0.258 253 M C 1.967 178.267 176.300 -0.001 0.000 1.070 253 M CA 2.419 57.731 55.300 0.020 0.000 1.103 253 M CB -1.269 31.356 32.600 0.042 0.000 1.321 253 M HN -0.114 nan 8.290 nan 0.000 0.405 254 A N -0.472 122.345 122.820 -0.006 0.000 1.972 254 A HA 0.040 4.366 4.320 0.010 0.000 0.219 254 A C 2.342 179.882 177.584 -0.074 0.000 1.169 254 A CA 1.722 53.735 52.037 -0.041 0.000 0.635 254 A CB -1.803 17.181 19.000 -0.027 0.000 0.810 254 A HN 0.681 nan 8.150 nan 0.000 0.446 255 G N -0.418 108.356 108.800 -0.044 0.000 2.421 255 G HA2 -0.222 3.744 3.960 0.010 0.000 0.216 255 G HA3 -0.222 3.744 3.960 0.010 0.000 0.216 255 G C 1.746 176.617 174.900 -0.048 0.000 1.171 255 G CA 0.822 45.895 45.100 -0.044 0.000 0.775 255 G HN 0.566 nan 8.290 nan 0.000 0.543 256 R N -0.224 120.258 120.500 -0.031 0.000 2.105 256 R HA -0.046 4.300 4.340 0.010 0.000 0.239 256 R C 2.627 178.906 176.300 -0.035 0.000 1.135 256 R CA 1.189 57.279 56.100 -0.018 0.000 0.967 256 R CB -0.554 29.746 30.300 -0.001 0.000 0.861 256 R HN 0.313 nan 8.270 nan 0.000 0.442 257 V N 1.316 121.185 119.914 -0.074 0.000 2.358 257 V HA -0.214 3.912 4.120 0.010 0.000 0.246 257 V C 2.194 178.122 176.094 -0.278 0.000 1.047 257 V CA 1.410 63.633 62.300 -0.128 0.000 1.035 257 V CB -0.459 31.265 31.823 -0.165 0.000 0.658 257 V HN 0.228 nan 8.190 nan 0.000 0.452 258 L N 0.300 121.327 121.223 -0.327 0.000 2.042 258 L HA -0.156 4.190 4.340 0.010 0.000 0.210 258 L C 2.494 179.308 176.870 -0.094 0.000 1.076 258 L CA 2.222 56.847 54.840 -0.358 0.000 0.749 258 L CB -0.857 41.083 42.059 -0.199 0.000 0.893 258 L HN 0.283 nan 8.230 nan 0.000 0.432 259 S N -0.525 115.158 115.700 -0.029 0.000 2.383 259 S HA -0.164 4.312 4.470 0.010 0.000 0.229 259 S C 1.779 176.434 174.600 0.090 0.000 1.030 259 S CA 1.513 59.739 58.200 0.042 0.000 1.002 259 S CB -0.543 62.674 63.200 0.028 0.000 0.829 259 S HN 0.487 nan 8.310 nan 0.000 0.467 260 L N 0.611 121.890 121.223 0.093 0.000 2.217 260 L HA 0.094 4.440 4.340 0.010 0.000 0.211 260 L C 1.668 178.691 176.870 0.256 0.000 1.107 260 L CA 1.401 56.325 54.840 0.139 0.000 0.783 260 L CB -0.839 41.287 42.059 0.113 0.000 0.919 260 L HN 0.353 nan 8.230 nan 0.000 0.442 261 Y N 0.413 120.745 120.300 0.053 0.000 2.139 261 Y HA -0.253 4.303 4.550 0.010 0.000 0.282 261 Y C -0.223 175.783 175.900 0.178 0.000 1.179 261 Y CA 1.238 59.414 58.100 0.127 0.000 1.161 261 Y CB -1.363 37.077 38.460 -0.033 0.000 0.970 261 Y HN 0.314 nan 8.280 nan 0.000 0.511 262 P HA -0.133 nan 4.420 nan 0.000 0.222 262 P C 0.709 177.989 177.300 -0.034 0.000 1.147 262 P CA 1.583 64.751 63.100 0.112 0.000 0.790 262 P CB -0.004 31.826 31.700 0.217 0.000 0.780 263 R N -1.524 119.005 120.500 0.048 0.000 2.297 263 R HA 0.139 4.485 4.340 0.010 0.000 0.197 263 R C 0.532 176.850 176.300 0.030 0.000 0.943 263 R CA 0.359 56.473 56.100 0.023 0.000 1.038 263 R CB -0.126 30.201 30.300 0.045 0.000 0.957 263 R HN 0.118 nan 8.270 nan 0.000 0.484 264 L N -0.173 121.082 121.223 0.054 0.000 2.910 264 L HA 0.125 4.471 4.340 0.010 0.000 0.252 264 L C 1.357 178.258 176.870 0.051 0.000 1.195 264 L CA 0.297 55.191 54.840 0.090 0.000 1.003 264 L CB 0.612 42.633 42.059 -0.062 0.000 1.328 264 L HN -0.115 nan 8.230 nan 0.000 0.540 265 V N 0.910 120.804 119.914 -0.032 0.000 2.313 265 V HA -0.355 3.771 4.120 0.010 0.000 0.253 265 V C 2.646 178.754 176.094 0.024 0.000 1.070 265 V CA 2.438 64.705 62.300 -0.055 0.000 1.057 265 V CB -0.820 30.728 31.823 -0.459 0.000 0.653 265 V HN 0.671 nan 8.190 nan 0.000 0.450 266 R N -0.846 119.552 120.500 -0.170 0.000 2.285 266 R HA -0.142 4.204 4.340 0.010 0.000 0.213 266 R C 1.728 177.800 176.300 -0.379 0.000 1.068 266 R CA 1.594 57.530 56.100 -0.273 0.000 1.004 266 R CB -0.528 29.537 30.300 -0.392 0.000 0.873 266 R HN 0.511 nan 8.270 nan 0.000 0.467 267 Y N 0.015 120.152 120.300 -0.273 0.000 2.490 267 Y HA 0.261 4.817 4.550 0.010 0.000 0.281 267 Y C 0.119 175.674 175.900 -0.574 0.000 1.174 267 Y CA -0.371 57.480 58.100 -0.416 0.000 1.295 267 Y CB 0.089 38.213 38.460 -0.561 0.000 1.062 267 Y HN -0.106 nan 8.280 nan 0.000 0.522 268 F N -0.942 119.006 119.950 -0.003 0.000 2.461 268 F HA 0.396 4.929 4.527 0.011 0.000 0.337 268 F C 1.020 176.807 175.800 -0.022 0.000 1.079 268 F CA -1.580 56.414 58.000 -0.010 0.000 1.032 268 F CB 0.334 39.370 39.000 0.061 0.000 1.327 268 F HN -0.283 nan 8.300 nan 0.000 0.491 269 S N -0.041 115.776 115.700 0.195 0.000 2.596 269 S HA 0.080 4.557 4.470 0.010 0.000 0.260 269 S C 0.883 175.533 174.600 0.084 0.000 1.336 269 S CA -0.619 57.628 58.200 0.078 0.000 0.993 269 S CB 0.647 63.871 63.200 0.039 0.000 0.923 269 S HN 0.578 nan 8.310 nan 0.000 0.567 270 E N 0.940 121.163 120.200 0.039 0.000 2.085 270 E HA -0.215 4.141 4.350 0.010 0.000 0.194 270 E C 1.906 178.522 176.600 0.027 0.000 0.994 270 E CA 1.644 58.062 56.400 0.029 0.000 0.801 270 E CB -0.575 29.129 29.700 0.008 0.000 0.743 270 E HN 0.932 nan 8.360 nan 0.000 0.453 271 E N 0.745 120.958 120.200 0.022 0.000 2.049 271 E HA -0.175 4.181 4.350 0.010 0.000 0.198 271 E C 2.162 178.770 176.600 0.013 0.000 1.007 271 E CA 1.625 58.022 56.400 -0.004 0.000 0.809 271 E CB 0.098 29.832 29.700 0.057 0.000 0.749 271 E HN 0.024 nan 8.360 nan 0.000 0.450 272 V N 1.038 121.013 119.914 0.101 0.000 2.343 272 V HA -0.271 3.855 4.120 0.010 0.000 0.247 272 V C 2.453 178.697 176.094 0.250 0.000 1.051 272 V CA 2.120 64.513 62.300 0.154 0.000 1.036 272 V CB -0.578 31.260 31.823 0.025 0.000 0.654 272 V HN 0.344 nan 8.190 nan 0.000 0.451 273 Q N -0.274 119.669 119.800 0.238 0.000 2.084 273 Q HA -0.177 4.170 4.340 0.010 0.000 0.202 273 Q C 2.434 178.549 176.000 0.190 0.000 0.978 273 Q CA 1.730 57.687 55.803 0.257 0.000 0.844 273 Q CB -0.410 28.415 28.738 0.144 0.000 0.898 273 Q HN 0.678 nan 8.270 nan 0.000 0.426 274 A N 0.392 123.254 122.820 0.071 0.000 1.933 274 A HA -0.237 4.089 4.320 0.010 0.000 0.218 274 A C 1.524 179.111 177.584 0.006 0.000 1.175 274 A CA 1.677 53.716 52.037 0.003 0.000 0.628 274 A CB -0.775 18.175 19.000 -0.083 0.000 0.814 274 A HN 0.420 nan 8.150 nan 0.000 0.444 275 H N -2.439 116.643 119.070 0.020 0.000 2.321 275 H HA -0.111 4.451 4.556 0.010 0.000 0.300 275 H C 1.743 177.015 175.328 -0.093 0.000 1.087 275 H CA 1.887 57.886 56.048 -0.081 0.000 1.319 275 H CB -0.188 29.436 29.762 -0.230 0.000 1.379 275 H HN 0.528 nan 8.280 nan 0.000 0.501 276 F N -0.173 119.832 119.950 0.092 0.000 2.216 276 F HA -0.155 4.378 4.527 0.011 0.000 0.300 276 F C 2.206 178.034 175.800 0.047 0.000 1.085 276 F CA 0.585 58.616 58.000 0.052 0.000 1.326 276 F CB -0.300 38.734 39.000 0.056 0.000 1.027 276 F HN 0.141 nan 8.300 nan 0.000 0.497 277 L N 0.261 121.615 121.223 0.218 0.000 2.083 277 L HA -0.194 4.152 4.340 0.010 0.000 0.209 277 L C 1.837 178.765 176.870 0.097 0.000 1.083 277 L CA 1.824 56.742 54.840 0.130 0.000 0.752 277 L CB -0.819 41.290 42.059 0.082 0.000 0.899 277 L HN 0.174 nan 8.230 nan 0.000 0.433 278 Q N -0.317 119.534 119.800 0.086 0.000 2.431 278 Q HA 0.172 4.518 4.340 0.010 0.000 0.210 278 Q C 1.158 177.197 176.000 0.064 0.000 0.958 278 Q CA 0.515 56.356 55.803 0.064 0.000 0.957 278 Q CB -0.229 28.544 28.738 0.059 0.000 1.007 278 Q HN 0.678 nan 8.270 nan 0.000 0.511 279 G N 2.088 110.941 108.800 0.088 0.000 2.143 279 G HA2 -0.316 3.650 3.960 0.010 0.000 0.248 279 G HA3 -0.316 3.650 3.960 0.010 0.000 0.248 279 G C -0.130 174.806 174.900 0.061 0.000 0.991 279 G CA 0.582 45.735 45.100 0.088 0.000 0.689 279 G HN 0.420 nan 8.290 nan 0.000 0.522 280 K N -0.726 119.677 120.400 0.006 0.000 2.259 280 K HA 0.606 4.932 4.320 0.010 0.000 0.252 280 K C -0.782 175.581 176.600 -0.394 0.000 0.936 280 K CA -1.243 54.989 56.287 -0.091 0.000 0.810 280 K CB 1.685 34.171 32.500 -0.023 0.000 1.143 280 K HN -0.018 nan 8.250 nan 0.000 0.427 281 N N 4.065 122.536 118.700 -0.383 0.000 2.469 281 N HA 0.114 4.860 4.740 0.010 0.000 0.239 281 N C -1.818 173.149 175.510 -0.904 0.000 1.053 281 N CA -2.283 50.386 53.050 -0.635 0.000 0.937 281 N CB 0.899 39.321 38.487 -0.109 0.000 1.163 281 N HN 0.480 nan 8.380 nan 0.000 0.509 282 P HA 0.005 nan 4.420 nan 0.000 0.247 282 P C -0.075 176.398 177.300 -1.378 0.000 1.225 282 P CA 0.460 62.314 63.100 -2.075 0.000 0.768 282 P CB -0.202 30.523 31.700 -1.624 0.000 1.020 283 F N -0.084 119.598 119.950 -0.445 0.000 2.639 283 F HA 0.284 4.817 4.527 0.011 0.000 0.302 283 F C 1.295 177.051 175.800 -0.073 0.000 1.097 283 F CA -0.171 57.756 58.000 -0.123 0.000 1.294 283 F CB 0.366 39.374 39.000 0.013 0.000 1.027 283 F HN -0.281 nan 8.300 nan 0.000 0.550 284 R N 1.878 122.382 120.500 0.008 0.000 2.564 284 R HA 0.282 4.628 4.340 0.010 0.000 0.282 284 R C -2.808 173.596 176.300 0.173 0.000 1.573 284 R CA -1.418 54.733 56.100 0.085 0.000 1.588 284 R CB 0.312 30.648 30.300 0.060 0.000 1.154 284 R HN -0.001 nan 8.270 nan 0.000 0.606 285 P HA 0.082 nan 4.420 nan 0.000 0.272 285 P C -0.146 177.159 177.300 0.008 0.000 1.230 285 P CA -0.290 62.873 63.100 0.105 0.000 0.788 285 P CB 0.800 32.534 31.700 0.056 0.000 0.949 286 A N 0.871 123.656 122.820 -0.059 0.000 2.498 286 A HA 0.411 4.737 4.320 0.010 0.000 0.239 286 A C 1.474 179.013 177.584 -0.075 0.000 1.068 286 A CA 0.730 52.727 52.037 -0.067 0.000 0.766 286 A CB -1.428 17.517 19.000 -0.091 0.000 1.003 286 A HN 0.922 nan 8.150 nan 0.000 0.497 287 G N 0.276 109.028 108.800 -0.080 0.000 2.179 287 G HA2 -0.128 3.838 3.960 0.010 0.000 0.260 287 G HA3 -0.128 3.838 3.960 0.010 0.000 0.260 287 G C 0.175 174.982 174.900 -0.154 0.000 0.977 287 G CA 0.321 45.349 45.100 -0.119 0.000 0.641 287 G HN 1.703 nan 8.290 nan 0.000 0.533 288 L N 0.789 121.953 121.223 -0.098 0.000 2.490 288 L HA 0.717 5.063 4.340 0.010 0.000 0.274 288 L C 0.037 176.850 176.870 -0.096 0.000 1.201 288 L CA 0.027 54.813 54.840 -0.090 0.000 0.869 288 L CB 1.054 43.098 42.059 -0.025 0.000 1.123 288 L HN 0.258 nan 8.230 nan 0.000 0.484 289 E N 2.916 123.051 120.200 -0.107 0.000 2.290 289 E HA 0.485 4.841 4.350 0.010 0.000 0.274 289 E C -1.693 174.925 176.600 0.030 0.000 0.889 289 E CA -0.478 55.895 56.400 -0.044 0.000 0.760 289 E CB 1.889 31.536 29.700 -0.088 0.000 1.206 289 E HN 0.368 nan 8.360 nan 0.000 0.419 290 V N 4.354 124.288 119.914 0.034 0.000 2.350 290 V HA 0.335 4.462 4.120 0.010 0.000 0.276 290 V C -0.350 175.762 176.094 0.031 0.000 1.028 290 V CA -0.811 61.506 62.300 0.029 0.000 0.860 290 V CB 1.471 33.294 31.823 -0.001 0.000 0.990 290 V HN 0.541 nan 8.190 nan 0.000 0.453 291 V N 5.607 125.549 119.914 0.047 0.000 2.368 291 V HA 0.260 4.386 4.120 0.010 0.000 0.266 291 V C 1.112 177.164 176.094 -0.070 0.000 1.045 291 V CA -0.231 62.077 62.300 0.013 0.000 0.899 291 V CB 0.992 32.842 31.823 0.045 0.000 1.006 291 V HN 0.883 nan 8.190 nan 0.000 0.470 292 E N 2.809 122.893 120.200 -0.194 0.000 2.122 292 E HA 0.039 4.396 4.350 0.010 0.000 0.190 292 E C 0.221 176.520 176.600 -0.503 0.000 0.977 292 E CA 0.951 57.100 56.400 -0.418 0.000 0.820 292 E CB 0.271 29.564 29.700 -0.679 0.000 0.770 292 E HN 0.854 nan 8.360 nan 0.000 0.462 293 H N -1.544 117.532 119.070 0.011 0.000 2.771 293 H HA 0.262 4.824 4.556 0.010 0.000 0.367 293 H C 1.056 176.372 175.328 -0.020 0.000 1.172 293 H CA -0.436 55.610 56.048 -0.002 0.000 1.186 293 H CB 1.430 31.188 29.762 -0.006 0.000 1.790 293 H HN -0.257 nan 8.280 nan 0.000 0.556 294 T N 0.494 115.116 114.554 0.113 0.000 2.665 294 T HA -0.207 4.149 4.350 0.010 0.000 0.268 294 T C 1.420 176.100 174.700 -0.034 0.000 1.035 294 T CA 2.016 64.117 62.100 0.003 0.000 1.151 294 T CB -0.198 68.656 68.868 -0.024 0.000 0.862 294 T HN 0.562 nan 8.240 nan 0.000 0.438 295 E N 1.367 121.565 120.200 -0.003 0.000 2.038 295 E HA -0.048 4.309 4.350 0.010 0.000 0.195 295 E C 2.446 179.022 176.600 -0.038 0.000 1.000 295 E CA 1.346 57.729 56.400 -0.028 0.000 0.803 295 E CB -0.574 29.121 29.700 -0.009 0.000 0.750 295 E HN 0.521 nan 8.360 nan 0.000 0.448 296 A N 0.226 123.041 122.820 -0.008 0.000 1.930 296 A HA -0.177 4.149 4.320 0.010 0.000 0.217 296 A C 2.287 179.827 177.584 -0.074 0.000 1.175 296 A CA 1.715 53.732 52.037 -0.033 0.000 0.627 296 A CB -0.743 18.255 19.000 -0.002 0.000 0.815 296 A HN 0.233 nan 8.150 nan 0.000 0.443 297 S N -0.335 115.332 115.700 -0.055 0.000 2.343 297 S HA -0.198 4.278 4.470 0.010 0.000 0.219 297 S C 2.079 176.590 174.600 -0.147 0.000 1.033 297 S CA 1.851 60.017 58.200 -0.057 0.000 1.014 297 S CB -0.302 62.878 63.200 -0.032 0.000 0.915 297 S HN 0.605 nan 8.310 nan 0.000 0.435 298 K N 0.855 121.144 120.400 -0.184 0.000 2.057 298 K HA -0.021 4.305 4.320 0.010 0.000 0.207 298 K C 2.398 178.876 176.600 -0.203 0.000 1.049 298 K CA 1.091 57.235 56.287 -0.238 0.000 0.931 298 K CB -0.447 31.917 32.500 -0.228 0.000 0.714 298 K HN 0.440 nan 8.250 nan 0.000 0.440 299 A N 1.721 124.450 122.820 -0.151 0.000 1.948 299 A HA -0.190 4.136 4.320 0.010 0.000 0.220 299 A C 2.106 179.606 177.584 -0.141 0.000 1.177 299 A CA 1.405 53.364 52.037 -0.131 0.000 0.636 299 A CB -0.755 18.187 19.000 -0.097 0.000 0.815 299 A HN 0.201 nan 8.150 nan 0.000 0.449 300 L N -0.217 120.912 121.223 -0.156 0.000 2.127 300 L HA -0.236 4.110 4.340 0.010 0.000 0.211 300 L C 2.179 179.005 176.870 -0.073 0.000 1.089 300 L CA 1.218 55.967 54.840 -0.152 0.000 0.757 300 L CB -0.694 41.284 42.059 -0.134 0.000 0.899 300 L HN 0.430 nan 8.230 nan 0.000 0.434 301 N N 0.442 119.073 118.700 -0.115 0.000 2.223 301 N HA -0.168 4.579 4.740 0.010 0.000 0.185 301 N C 1.816 177.256 175.510 -0.118 0.000 1.016 301 N CA 1.279 54.262 53.050 -0.112 0.000 0.863 301 N CB -0.187 38.123 38.487 -0.295 0.000 0.983 301 N HN 0.440 nan 8.380 nan 0.000 0.429 302 R N 0.310 120.722 120.500 -0.146 0.000 2.223 302 R HA 0.287 4.633 4.340 0.010 0.000 0.198 302 R C 0.689 176.954 176.300 -0.059 0.000 0.984 302 R CA -0.002 56.034 56.100 -0.108 0.000 1.018 302 R CB 0.231 30.458 30.300 -0.121 0.000 0.945 302 R HN 0.041 nan 8.270 nan 0.000 0.479 303 A N 3.347 126.133 122.820 -0.057 0.000 2.407 303 A HA 0.287 4.613 4.320 0.010 0.000 0.248 303 A C -2.053 175.526 177.584 -0.009 0.000 1.082 303 A CA -1.209 50.808 52.037 -0.033 0.000 0.785 303 A CB -0.030 18.944 19.000 -0.043 0.000 1.020 303 A HN -0.022 nan 8.150 nan 0.000 0.489 304 P HA 0.333 nan 4.420 nan 0.000 0.278 304 P C 0.411 177.726 177.300 0.025 0.000 1.258 304 P CA -0.004 63.104 63.100 0.013 0.000 0.811 304 P CB 0.912 32.618 31.700 0.010 0.000 1.063 305 G N 0.774 109.589 108.800 0.024 0.000 2.588 305 G HA2 0.402 4.369 3.960 0.010 0.000 0.278 305 G HA3 0.402 4.369 3.960 0.010 0.000 0.278 305 G C -2.259 172.655 174.900 0.023 0.000 1.307 305 G CA -1.126 43.991 45.100 0.030 0.000 1.016 305 G HN 0.443 nan 8.290 nan 0.000 0.503 306 P HA 0.380 nan 4.420 nan 0.000 0.277 306 P C -0.495 176.825 177.300 0.033 0.000 1.240 306 P CA 0.057 63.163 63.100 0.009 0.000 0.798 306 P CB 1.326 33.018 31.700 -0.013 0.000 0.979 307 M N -0.270 119.349 119.600 0.031 0.000 2.822 307 M HA 0.441 4.928 4.480 0.010 0.000 0.275 307 M C -2.198 174.124 176.300 0.036 0.000 1.084 307 M CA -0.938 54.404 55.300 0.070 0.000 0.814 307 M CB 1.274 34.005 32.600 0.218 0.000 1.693 307 M HN -0.079 nan 8.290 nan 0.000 0.531 308 V N 2.068 122.001 119.914 0.031 0.000 2.495 308 V HA 0.791 4.917 4.120 0.010 0.000 0.298 308 V C -0.840 175.285 176.094 0.052 0.000 1.031 308 V CA -0.641 61.660 62.300 0.002 0.000 0.871 308 V CB 1.890 33.693 31.823 -0.032 0.000 0.988 308 V HN 0.697 nan 8.190 nan 0.000 0.432 309 V N 6.226 126.138 119.914 -0.003 0.000 2.487 309 V HA 0.525 4.651 4.120 0.010 0.000 0.298 309 V C -0.833 175.200 176.094 -0.101 0.000 1.028 309 V CA -0.580 61.687 62.300 -0.056 0.000 0.860 309 V CB 1.769 33.444 31.823 -0.247 0.000 0.991 309 V HN 0.589 nan 8.190 nan 0.000 0.427 310 L N 4.670 125.853 121.223 -0.066 0.000 2.305 310 L HA 0.932 5.278 4.340 0.010 0.000 0.284 310 L C 0.211 177.042 176.870 -0.065 0.000 1.013 310 L CA 0.089 54.890 54.840 -0.064 0.000 0.819 310 L CB 1.453 43.493 42.059 -0.031 0.000 1.227 310 L HN 0.854 nan 8.230 nan 0.000 0.417 311 A N 1.690 124.470 122.820 -0.067 0.000 2.593 311 A HA 0.967 5.293 4.320 0.010 0.000 0.290 311 A C -0.506 177.081 177.584 0.004 0.000 1.126 311 A CA -0.072 51.960 52.037 -0.009 0.000 0.695 311 A CB 1.444 20.460 19.000 0.026 0.000 1.290 311 A HN 0.707 nan 8.150 nan 0.000 0.414 312 G N -0.623 108.206 108.800 0.048 0.000 2.788 312 G HA2 0.573 4.539 3.960 0.010 0.000 0.293 312 G HA3 0.573 4.539 3.960 0.010 0.000 0.293 312 G C -0.010 174.940 174.900 0.084 0.000 1.305 312 G CA 0.245 45.377 45.100 0.054 0.000 1.005 312 G HN 1.370 nan 8.290 nan 0.000 0.496 313 S N -1.330 114.424 115.700 0.089 0.000 2.579 313 S HA 0.337 4.813 4.470 0.010 0.000 0.275 313 S C 1.828 176.467 174.600 0.065 0.000 1.345 313 S CA 0.460 58.722 58.200 0.103 0.000 1.031 313 S CB 0.752 64.026 63.200 0.123 0.000 0.892 313 S HN 1.121 nan 8.310 nan 0.000 0.529 314 G N 2.903 111.735 108.800 0.054 0.000 2.498 314 G HA2 -0.050 3.917 3.960 0.010 0.000 0.219 314 G HA3 -0.050 3.917 3.960 0.010 0.000 0.219 314 G C 0.858 175.724 174.900 -0.058 0.000 1.119 314 G CA 0.436 45.395 45.100 -0.235 0.000 0.766 314 G HN 0.720 nan 8.290 nan 0.000 0.552 315 M N 0.387 120.074 119.600 0.146 0.000 2.685 315 M HA 0.355 4.842 4.480 0.010 0.000 0.355 315 M C 0.322 176.695 176.300 0.123 0.000 1.197 315 M CA -0.213 55.185 55.300 0.164 0.000 0.947 315 M CB 0.501 33.246 32.600 0.242 0.000 1.346 315 M HN 0.030 nan 8.290 nan 0.000 0.516 316 L N -0.489 120.802 121.223 0.113 0.000 3.970 316 L HA -0.332 4.014 4.340 0.010 0.000 0.425 316 L C 1.588 178.503 176.870 0.073 0.000 1.162 316 L CA 0.397 55.293 54.840 0.093 0.000 0.968 316 L CB -2.041 40.085 42.059 0.111 0.000 1.896 316 L HN 0.536 nan 8.230 nan 0.000 1.006 317 A N -0.639 122.232 122.820 0.085 0.000 2.066 317 A HA 0.440 4.766 4.320 0.010 0.000 0.218 317 A C 1.380 178.999 177.584 0.058 0.000 1.157 317 A CA 1.736 53.818 52.037 0.074 0.000 0.670 317 A CB -0.006 19.050 19.000 0.093 0.000 0.804 317 A HN 0.919 nan 8.150 nan 0.000 0.453 318 G N -3.948 104.888 108.800 0.060 0.000 2.356 318 G HA2 0.569 4.536 3.960 0.010 0.000 0.281 318 G HA3 0.569 4.536 3.960 0.010 0.000 0.281 318 G C 0.193 175.132 174.900 0.065 0.000 1.246 318 G CA 0.288 45.416 45.100 0.047 0.000 0.889 318 G HN 1.985 nan 8.290 nan 0.000 0.486 319 G N -1.206 107.643 108.800 0.082 0.000 2.710 319 G HA2 0.079 4.045 3.960 0.010 0.000 0.668 319 G HA3 0.079 4.045 3.960 0.010 0.000 0.668 319 G C 0.526 175.526 174.900 0.166 0.000 1.320 319 G CA 0.617 45.786 45.100 0.115 0.000 0.860 319 G HN 1.017 nan 8.290 nan 0.000 0.538 320 R N -0.702 119.914 120.500 0.193 0.000 2.148 320 R HA 0.058 4.405 4.340 0.010 0.000 0.227 320 R C 2.697 179.181 176.300 0.305 0.000 1.103 320 R CA 1.581 57.838 56.100 0.261 0.000 0.983 320 R CB -0.314 30.107 30.300 0.201 0.000 0.874 320 R HN 0.573 nan 8.270 nan 0.000 0.451 321 I N 0.746 121.464 120.570 0.248 0.000 2.264 321 I HA -0.274 3.903 4.170 0.010 0.000 0.248 321 I C 1.510 177.723 176.117 0.160 0.000 1.111 321 I CA 1.550 62.992 61.300 0.236 0.000 1.382 321 I CB -0.058 38.004 38.000 0.104 0.000 1.060 321 I HN 0.160 nan 8.210 nan 0.000 0.418 322 L N -0.423 120.833 121.223 0.055 0.000 2.079 322 L HA -0.267 4.080 4.340 0.010 0.000 0.210 322 L C 2.560 179.358 176.870 -0.119 0.000 1.081 322 L CA 1.364 56.164 54.840 -0.067 0.000 0.752 322 L CB -1.238 40.718 42.059 -0.171 0.000 0.896 322 L HN 0.405 nan 8.230 nan 0.000 0.433 323 H N -1.285 117.791 119.070 0.009 0.000 2.428 323 H HA -0.086 4.476 4.556 0.010 0.000 0.296 323 H C 2.237 177.563 175.328 -0.003 0.000 1.062 323 H CA 1.140 57.178 56.048 -0.016 0.000 1.350 323 H CB -0.049 29.658 29.762 -0.092 0.000 1.403 323 H HN 0.475 nan 8.280 nan 0.000 0.533 324 H N 0.044 119.217 119.070 0.172 0.000 2.395 324 H HA -0.067 4.495 4.556 0.010 0.000 0.299 324 H C 2.215 177.584 175.328 0.069 0.000 1.070 324 H CA 0.568 56.682 56.048 0.109 0.000 1.356 324 H CB 0.188 29.981 29.762 0.051 0.000 1.401 324 H HN 0.168 nan 8.280 nan 0.000 0.524 325 L N 1.165 122.473 121.223 0.141 0.000 2.044 325 L HA -0.104 4.242 4.340 0.010 0.000 0.205 325 L C 2.588 179.461 176.870 0.005 0.000 1.075 325 L CA 1.380 56.252 54.840 0.054 0.000 0.747 325 L CB -0.722 41.352 42.059 0.025 0.000 0.903 325 L HN 0.117 nan 8.230 nan 0.000 0.435 326 K N -1.142 119.228 120.400 -0.050 0.000 2.113 326 K HA -0.207 4.119 4.320 0.010 0.000 0.208 326 K C 1.799 178.239 176.600 -0.267 0.000 1.047 326 K CA 1.520 57.695 56.287 -0.187 0.000 0.928 326 K CB -0.054 32.272 32.500 -0.289 0.000 0.716 326 K HN 0.464 nan 8.250 nan 0.000 0.446 327 H N -2.357 116.724 119.070 0.018 0.000 2.575 327 H HA 0.127 4.689 4.556 0.010 0.000 0.267 327 H C 1.499 176.841 175.328 0.023 0.000 0.966 327 H CA 0.881 56.939 56.048 0.016 0.000 1.165 327 H CB 1.135 30.901 29.762 0.008 0.000 1.433 327 H HN 0.409 nan 8.280 nan 0.000 0.544 328 G N -0.081 108.789 108.800 0.117 0.000 2.848 328 G HA2 0.003 3.969 3.960 0.010 0.000 0.213 328 G HA3 0.003 3.969 3.960 0.010 0.000 0.213 328 G C 1.372 176.298 174.900 0.043 0.000 1.101 328 G CA -0.121 45.029 45.100 0.083 0.000 0.778 328 G HN 0.066 nan 8.290 nan 0.000 0.536 329 L N 2.249 123.488 121.223 0.026 0.000 2.217 329 L HA 0.037 4.383 4.340 0.010 0.000 0.211 329 L C 2.834 179.711 176.870 0.011 0.000 1.107 329 L CA 1.791 56.639 54.840 0.013 0.000 0.783 329 L CB -0.333 41.729 42.059 0.004 0.000 0.919 329 L HN 0.329 nan 8.230 nan 0.000 0.442 330 S N -2.242 113.465 115.700 0.011 0.000 2.607 330 S HA -0.025 4.451 4.470 0.010 0.000 0.224 330 S C 0.696 175.305 174.600 0.015 0.000 0.969 330 S CA -0.143 58.062 58.200 0.009 0.000 0.927 330 S CB -0.415 62.788 63.200 0.006 0.000 0.772 330 S HN 0.360 nan 8.310 nan 0.000 0.533 331 D N 2.175 122.587 120.400 0.020 0.000 2.349 331 D HA 0.313 4.960 4.640 0.010 0.000 0.232 331 D C -1.758 174.552 176.300 0.016 0.000 1.071 331 D CA -2.375 51.637 54.000 0.019 0.000 0.832 331 D CB 2.194 43.009 40.800 0.025 0.000 1.086 331 D HN -0.016 nan 8.370 nan 0.000 0.504 332 P HA -0.092 nan 4.420 nan 0.000 0.222 332 P C 1.088 178.398 177.300 0.015 0.000 1.147 332 P CA 0.572 63.679 63.100 0.013 0.000 0.790 332 P CB 0.551 32.257 31.700 0.010 0.000 0.780 333 R N -1.038 119.470 120.500 0.013 0.000 2.189 333 R HA 0.013 4.359 4.340 0.010 0.000 0.223 333 R C 0.989 177.296 176.300 0.011 0.000 1.092 333 R CA 0.419 56.525 56.100 0.010 0.000 0.989 333 R CB -0.299 30.005 30.300 0.007 0.000 0.876 333 R HN 0.298 nan 8.270 nan 0.000 0.457 334 N N 0.195 118.904 118.700 0.015 0.000 2.364 334 N HA 0.339 5.086 4.740 0.010 0.000 0.264 334 N C -0.734 174.791 175.510 0.026 0.000 1.263 334 N CA 0.122 53.180 53.050 0.014 0.000 0.959 334 N CB 0.988 39.485 38.487 0.017 0.000 1.204 334 N HN 0.067 nan 8.380 nan 0.000 0.550 335 A N 0.202 123.035 122.820 0.020 0.000 2.488 335 A HA 0.458 4.785 4.320 0.010 0.000 0.295 335 A C -1.348 176.248 177.584 0.019 0.000 1.045 335 A CA -0.620 51.452 52.037 0.059 0.000 0.703 335 A CB 0.932 19.966 19.000 0.057 0.000 1.271 335 A HN 0.551 nan 8.150 nan 0.000 0.400 336 L N 3.384 124.624 121.223 0.028 0.000 2.287 336 L HA 0.702 5.048 4.340 0.010 0.000 0.287 336 L C -1.367 175.451 176.870 -0.086 0.000 1.022 336 L CA -0.702 54.071 54.840 -0.111 0.000 0.814 336 L CB 1.332 43.281 42.059 -0.184 0.000 1.217 336 L HN 0.482 nan 8.230 nan 0.000 0.420 337 V N 5.524 125.350 119.914 -0.146 0.000 2.350 337 V HA 0.327 4.453 4.120 0.010 0.000 0.285 337 V C -0.307 175.717 176.094 -0.115 0.000 1.014 337 V CA -0.479 61.811 62.300 -0.016 0.000 0.831 337 V CB 1.234 33.117 31.823 0.101 0.000 1.000 337 V HN 0.461 nan 8.190 nan 0.000 0.433 338 F N 4.071 124.095 119.950 0.123 0.000 2.412 338 F HA 0.416 4.950 4.527 0.010 0.000 0.348 338 F C 0.958 176.819 175.800 0.102 0.000 1.102 338 F CA -0.186 57.858 58.000 0.072 0.000 1.196 338 F CB 1.701 40.744 39.000 0.072 0.000 1.144 338 F HN 0.385 nan 8.300 nan 0.000 0.541 339 V N -0.062 119.975 119.914 0.205 0.000 3.276 339 V HA 0.646 4.772 4.120 0.010 0.000 0.319 339 V C 0.138 176.340 176.094 0.181 0.000 1.476 339 V CA 0.109 62.494 62.300 0.141 0.000 1.097 339 V CB 0.201 31.872 31.823 -0.255 0.000 0.988 339 V HN 0.791 nan 8.190 nan 0.000 0.473 340 G N -0.716 108.208 108.800 0.205 0.000 2.719 340 G HA2 0.479 4.445 3.960 0.010 0.000 0.298 340 G HA3 0.479 4.445 3.960 0.010 0.000 0.298 340 G C -1.360 173.754 174.900 0.356 0.000 1.411 340 G CA -0.989 44.286 45.100 0.292 0.000 0.991 340 G HN 0.290 nan 8.290 nan 0.000 0.509 341 Y N 1.498 122.022 120.300 0.373 0.000 2.903 341 Y HA 0.141 4.698 4.550 0.011 0.000 0.338 341 Y C 0.119 176.130 175.900 0.184 0.000 1.265 341 Y CA 0.679 58.949 58.100 0.284 0.000 1.532 341 Y CB 0.697 39.359 38.460 0.336 0.000 1.293 341 Y HN 0.323 nan 8.280 nan 0.000 0.609 342 Q N 8.221 127.575 119.800 -0.743 0.000 2.331 342 Q HA 0.340 4.686 4.340 0.010 0.000 0.267 342 Q C -2.417 173.049 176.000 -0.890 0.000 1.006 342 Q CA -2.230 53.209 55.803 -0.607 0.000 0.818 342 Q CB 1.489 29.862 28.738 -0.608 0.000 1.276 342 Q HN 0.545 nan 8.270 nan 0.000 0.450 343 P HA -0.028 nan 4.420 nan 0.000 0.268 343 P C -0.291 176.935 177.300 -0.124 0.000 1.208 343 P CA -0.208 62.841 63.100 -0.085 0.000 0.777 343 P CB 0.890 32.645 31.700 0.091 0.000 0.875 344 Q N 0.500 120.289 119.800 -0.018 0.000 2.332 344 Q HA 0.283 4.629 4.340 0.010 0.000 0.263 344 Q C 1.474 177.465 176.000 -0.015 0.000 0.979 344 Q CA 1.154 56.941 55.803 -0.025 0.000 0.885 344 Q CB 0.420 29.169 28.738 0.019 0.000 1.218 344 Q HN 0.912 nan 8.270 nan 0.000 0.405 345 G N 2.062 110.845 108.800 -0.028 0.000 2.159 345 G HA2 -0.238 3.729 3.960 0.010 0.000 0.256 345 G HA3 -0.238 3.729 3.960 0.010 0.000 0.256 345 G C 0.490 175.381 174.900 -0.015 0.000 0.977 345 G CA 0.088 45.178 45.100 -0.016 0.000 0.652 345 G HN 0.840 nan 8.290 nan 0.000 0.531 346 G N -1.199 107.583 108.800 -0.031 0.000 2.537 346 G HA2 0.617 4.583 3.960 0.010 0.000 0.297 346 G HA3 0.617 4.583 3.960 0.010 0.000 0.297 346 G C 1.089 175.975 174.900 -0.023 0.000 1.310 346 G CA 0.035 45.123 45.100 -0.020 0.000 1.027 346 G HN 0.846 nan 8.290 nan 0.000 0.505 347 L N 0.590 121.813 121.223 0.000 0.000 2.083 347 L HA 0.089 4.436 4.340 0.010 0.000 0.209 347 L C 2.676 179.559 176.870 0.023 0.000 1.083 347 L CA 2.824 57.675 54.840 0.019 0.000 0.752 347 L CB -0.902 41.181 42.059 0.041 0.000 0.899 347 L HN 0.587 nan 8.230 nan 0.000 0.433 348 G N -0.829 107.963 108.800 -0.013 0.000 2.459 348 G HA2 -0.309 3.658 3.960 0.010 0.000 0.217 348 G HA3 -0.309 3.658 3.960 0.010 0.000 0.217 348 G C 1.626 176.398 174.900 -0.214 0.000 1.183 348 G CA 1.074 46.095 45.100 -0.132 0.000 0.776 348 G HN 0.652 nan 8.290 nan 0.000 0.552 349 A N 0.786 123.483 122.820 -0.204 0.000 1.892 349 A HA -0.136 4.190 4.320 0.010 0.000 0.218 349 A C 2.188 179.726 177.584 -0.077 0.000 1.188 349 A CA 2.249 54.191 52.037 -0.159 0.000 0.631 349 A CB -0.663 18.261 19.000 -0.126 0.000 0.822 349 A HN 0.532 nan 8.150 nan 0.000 0.447 350 E N -0.282 119.892 120.200 -0.043 0.000 2.097 350 E HA -0.211 4.145 4.350 0.010 0.000 0.196 350 E C 1.877 178.481 176.600 0.007 0.000 1.000 350 E CA 1.566 57.958 56.400 -0.013 0.000 0.804 350 E CB -0.253 29.445 29.700 -0.003 0.000 0.740 350 E HN 0.681 nan 8.360 nan 0.000 0.454 351 I N 0.725 121.315 120.570 0.034 0.000 2.315 351 I HA -0.249 3.927 4.170 0.010 0.000 0.248 351 I C 2.310 178.469 176.117 0.071 0.000 1.117 351 I CA 0.830 62.177 61.300 0.079 0.000 1.404 351 I CB -0.157 37.951 38.000 0.180 0.000 1.071 351 I HN 0.225 nan 8.210 nan 0.000 0.419 352 I N 0.910 121.501 120.570 0.036 0.000 2.454 352 I HA -0.238 3.938 4.170 0.010 0.000 0.254 352 I C 2.608 178.728 176.117 0.005 0.000 1.156 352 I CA 0.958 62.269 61.300 0.017 0.000 1.433 352 I CB -0.434 37.525 38.000 -0.068 0.000 1.082 352 I HN 0.165 nan 8.210 nan 0.000 0.432 353 A N 0.415 123.232 122.820 -0.004 0.000 2.172 353 A HA -0.150 4.176 4.320 0.010 0.000 0.216 353 A C 1.423 179.009 177.584 0.004 0.000 1.154 353 A CA 0.428 52.463 52.037 -0.003 0.000 0.701 353 A CB -0.335 18.662 19.000 -0.006 0.000 0.789 353 A HN 0.437 nan 8.150 nan 0.000 0.465 354 R N -1.384 119.123 120.500 0.011 0.000 3.264 354 R HA -0.113 4.233 4.340 0.010 0.000 0.251 354 R C -2.345 173.959 176.300 0.006 0.000 0.971 354 R CA 0.741 56.847 56.100 0.009 0.000 0.658 354 R CB -2.195 28.106 30.300 0.003 0.000 1.095 354 R HN 0.537 nan 8.270 nan 0.000 0.443 355 P HA 0.204 nan 4.420 nan 0.000 0.276 355 P C -1.722 175.580 177.300 0.003 0.000 1.261 355 P CA -1.096 62.006 63.100 0.004 0.000 0.800 355 P CB 0.633 32.335 31.700 0.003 0.000 1.066 356 P HA -0.066 nan 4.420 nan 0.000 0.216 356 P C 0.393 177.693 177.300 0.001 0.000 1.150 356 P CA 1.512 64.612 63.100 0.001 0.000 0.837 356 P CB 0.147 31.847 31.700 -0.000 0.000 0.786 357 A N -1.556 121.264 122.820 0.000 0.000 2.583 357 A HA 0.660 4.986 4.320 0.010 0.000 0.289 357 A C -1.375 176.209 177.584 -0.001 0.000 1.151 357 A CA -0.500 51.536 52.037 -0.002 0.000 0.695 357 A CB 1.793 20.790 19.000 -0.005 0.000 1.290 357 A HN -0.126 nan 8.150 nan 0.000 0.419 358 V N 0.151 120.063 119.914 -0.004 0.000 3.049 358 V HA 0.593 4.720 4.120 0.010 0.000 0.309 358 V C -0.347 175.739 176.094 -0.013 0.000 1.148 358 V CA -0.686 61.612 62.300 -0.004 0.000 0.990 358 V CB 2.101 33.927 31.823 0.005 0.000 1.039 358 V HN 0.964 nan 8.190 nan 0.000 0.430 359 R N 3.460 123.952 120.500 -0.013 0.000 2.215 359 R HA 0.723 5.070 4.340 0.010 0.000 0.336 359 R C -1.531 174.752 176.300 -0.027 0.000 0.996 359 R CA -0.302 55.785 56.100 -0.021 0.000 0.847 359 R CB 0.624 30.915 30.300 -0.016 0.000 1.127 359 R HN 0.720 nan 8.270 nan 0.000 0.465 360 I N 6.080 126.623 120.570 -0.045 0.000 2.466 360 I HA 0.205 4.381 4.170 0.010 0.000 0.289 360 I C 0.204 176.272 176.117 -0.081 0.000 1.026 360 I CA -0.984 60.279 61.300 -0.061 0.000 1.078 360 I CB 1.930 39.886 38.000 -0.073 0.000 1.249 360 I HN 0.730 nan 8.210 nan 0.000 0.429 361 L N 6.662 127.836 121.223 -0.082 0.000 3.660 361 L HA -0.257 4.090 4.340 0.010 0.000 0.440 361 L C 1.108 177.949 176.870 -0.048 0.000 1.262 361 L CA 0.749 55.540 54.840 -0.081 0.000 0.837 361 L CB -1.741 40.237 42.059 -0.134 0.000 1.689 361 L HN 1.176 nan 8.230 nan 0.000 0.890 362 G N -0.312 108.467 108.800 -0.035 0.000 2.168 362 G HA2 -0.303 3.663 3.960 0.010 0.000 0.257 362 G HA3 -0.303 3.663 3.960 0.010 0.000 0.257 362 G C 0.054 174.938 174.900 -0.025 0.000 0.997 362 G CA 0.821 45.907 45.100 -0.023 0.000 0.708 362 G HN 0.692 nan 8.290 nan 0.000 0.520 363 E N -0.634 119.544 120.200 -0.037 0.000 2.356 363 E HA 0.529 4.885 4.350 0.010 0.000 0.275 363 E C -1.025 175.552 176.600 -0.039 0.000 0.904 363 E CA -0.932 55.446 56.400 -0.037 0.000 0.757 363 E CB 1.235 30.905 29.700 -0.050 0.000 1.232 363 E HN 0.038 nan 8.360 nan 0.000 0.442 364 E N 2.014 122.196 120.200 -0.030 0.000 2.152 364 E HA 0.261 4.617 4.350 0.010 0.000 0.285 364 E C -1.474 175.107 176.600 -0.031 0.000 1.043 364 E CA -0.268 56.117 56.400 -0.025 0.000 0.839 364 E CB 1.479 31.169 29.700 -0.017 0.000 1.069 364 E HN 0.239 nan 8.360 nan 0.000 0.399 365 V N 6.640 126.534 119.914 -0.033 0.000 2.448 365 V HA 0.567 4.693 4.120 0.010 0.000 0.295 365 V C -2.530 173.552 176.094 -0.020 0.000 1.025 365 V CA -2.699 59.580 62.300 -0.036 0.000 0.859 365 V CB 1.773 33.562 31.823 -0.057 0.000 0.988 365 V HN 0.640 nan 8.190 nan 0.000 0.431 366 P HA 0.159 nan 4.420 nan 0.000 0.268 366 P C -0.947 176.352 177.300 -0.003 0.000 1.204 366 P CA -0.100 62.996 63.100 -0.006 0.000 0.768 366 P CB 0.505 32.203 31.700 -0.004 0.000 0.842 367 L N 4.833 126.056 121.223 0.001 0.000 2.314 367 L HA 0.287 4.633 4.340 0.010 0.000 0.275 367 L C 0.878 177.750 176.870 0.004 0.000 1.068 367 L CA 0.444 55.287 54.840 0.005 0.000 0.894 367 L CB -0.215 41.849 42.059 0.009 0.000 1.275 367 L HN 0.271 nan 8.230 nan 0.000 0.432 368 R N 2.759 123.262 120.500 0.005 0.000 2.221 368 R HA 0.421 4.767 4.340 0.010 0.000 0.195 368 R C 0.709 177.013 176.300 0.006 0.000 0.956 368 R CA 0.286 56.389 56.100 0.005 0.000 1.064 368 R CB 0.261 30.565 30.300 0.007 0.000 1.049 368 R HN 0.627 nan 8.270 nan 0.000 0.534 369 A N 2.106 124.932 122.820 0.009 0.000 2.520 369 A HA 0.153 4.479 4.320 0.010 0.000 0.235 369 A C 0.536 178.125 177.584 0.008 0.000 1.065 369 A CA -0.084 51.962 52.037 0.014 0.000 0.764 369 A CB 0.227 19.236 19.000 0.015 0.000 1.002 369 A HN 0.363 nan 8.150 nan 0.000 0.502 370 S N 0.729 116.442 115.700 0.022 0.000 2.579 370 S HA 0.478 4.954 4.470 0.010 0.000 0.275 370 S C -0.086 174.484 174.600 -0.051 0.000 1.345 370 S CA -0.511 57.677 58.200 -0.020 0.000 1.031 370 S CB 0.799 64.041 63.200 0.069 0.000 0.892 370 S HN 0.887 nan 8.310 nan 0.000 0.529 371 V N 3.110 122.889 119.914 -0.226 0.000 2.735 371 V HA 0.565 4.692 4.120 0.010 0.000 0.310 371 V C -0.535 175.334 176.094 -0.375 0.000 1.061 371 V CA -0.669 61.556 62.300 -0.125 0.000 0.913 371 V CB 1.641 33.472 31.823 0.013 0.000 1.005 371 V HN 1.011 nan 8.190 nan 0.000 0.428 372 H N 1.256 120.405 119.070 0.131 0.000 2.974 372 H HA 0.463 5.025 4.556 0.010 0.000 0.366 372 H C -1.214 174.274 175.328 0.268 0.000 1.155 372 H CA -0.557 55.589 56.048 0.162 0.000 1.186 372 H CB 2.553 32.389 29.762 0.123 0.000 1.799 372 H HN 0.535 nan 8.280 nan 0.000 0.541 373 T N 3.789 118.561 114.554 0.363 0.000 2.815 373 T HA 0.330 4.686 4.350 0.010 0.000 0.289 373 T C 0.416 175.297 174.700 0.302 0.000 1.000 373 T CA -0.688 61.627 62.100 0.357 0.000 0.958 373 T CB 0.571 69.578 68.868 0.232 0.000 0.944 373 T HN 0.294 nan 8.240 nan 0.000 0.442 374 L N 3.177 124.604 121.223 0.340 0.000 2.504 374 L HA 0.381 4.727 4.340 0.010 0.000 0.249 374 L C 1.730 178.775 176.870 0.292 0.000 1.120 374 L CA -0.720 54.304 54.840 0.307 0.000 0.997 374 L CB 0.489 42.805 42.059 0.428 0.000 1.349 374 L HN 0.874 nan 8.230 nan 0.000 0.439 375 G N 0.894 109.833 108.800 0.233 0.000 2.535 375 G HA2 -0.168 3.798 3.960 0.010 0.000 0.218 375 G HA3 -0.168 3.798 3.960 0.010 0.000 0.218 375 G C 1.380 176.344 174.900 0.107 0.000 1.122 375 G CA 0.710 45.948 45.100 0.230 0.000 0.769 375 G HN 0.703 nan 8.290 nan 0.000 0.549 376 G N -0.044 108.786 108.800 0.050 0.000 2.559 376 G HA2 -0.039 3.928 3.960 0.010 0.000 0.216 376 G HA3 -0.039 3.928 3.960 0.010 0.000 0.216 376 G C 1.118 175.964 174.900 -0.091 0.000 1.126 376 G CA -0.096 44.970 45.100 -0.057 0.000 0.778 376 G HN 0.439 nan 8.290 nan 0.000 0.543 377 F N 1.021 121.004 119.950 0.055 0.000 2.773 377 F HA 0.278 4.811 4.527 0.010 0.000 0.304 377 F C 1.788 177.587 175.800 -0.002 0.000 1.129 377 F CA -0.377 57.667 58.000 0.074 0.000 1.378 377 F CB 0.403 39.435 39.000 0.054 0.000 1.095 377 F HN 0.028 nan 8.300 nan 0.000 0.565 378 S N 0.272 115.972 115.700 0.001 0.000 2.558 378 S HA 0.095 4.571 4.470 0.010 0.000 0.288 378 S C 1.392 175.936 174.600 -0.093 0.000 1.318 378 S CA 0.234 58.369 58.200 -0.107 0.000 1.056 378 S CB 1.000 63.794 63.200 -0.676 0.000 0.853 378 S HN 0.407 nan 8.310 nan 0.000 0.505 379 G N 3.336 112.168 108.800 0.054 0.000 3.042 379 G HA2 0.163 4.129 3.960 0.010 0.000 0.212 379 G HA3 0.163 4.129 3.960 0.010 0.000 0.212 379 G C 0.369 175.264 174.900 -0.008 0.000 1.166 379 G CA -0.125 44.974 45.100 -0.001 0.000 0.767 379 G HN 0.788 nan 8.290 nan 0.000 0.546 380 H N -0.053 119.065 119.070 0.080 0.000 2.573 380 H HA 0.547 5.109 4.556 0.010 0.000 0.351 380 H C 0.045 175.430 175.328 0.095 0.000 1.163 380 H CA -0.558 55.540 56.048 0.084 0.000 1.205 380 H CB 1.990 31.885 29.762 0.222 0.000 1.605 380 H HN 0.131 nan 8.280 nan 0.000 0.525 381 A N 1.900 124.812 122.820 0.153 0.000 2.511 381 A HA 0.355 4.681 4.320 0.010 0.000 0.242 381 A C 0.975 178.618 177.584 0.098 0.000 1.069 381 A CA 0.414 52.500 52.037 0.082 0.000 0.763 381 A CB -0.117 18.860 19.000 -0.039 0.000 1.001 381 A HN 0.761 nan 8.150 nan 0.000 0.498 382 G N -0.112 108.680 108.800 -0.012 0.000 2.580 382 G HA2 0.340 4.306 3.960 0.010 0.000 0.278 382 G HA3 0.340 4.306 3.960 0.010 0.000 0.278 382 G C 0.705 175.549 174.900 -0.094 0.000 1.212 382 G CA 0.304 45.206 45.100 -0.329 0.000 0.939 382 G HN 0.955 nan 8.290 nan 0.000 0.513 383 Q N -0.397 119.358 119.800 -0.075 0.000 2.096 383 Q HA -0.262 4.084 4.340 0.010 0.000 0.208 383 Q C 2.067 178.071 176.000 0.007 0.000 0.993 383 Q CA 2.635 58.435 55.803 -0.004 0.000 0.862 383 Q CB -0.212 28.528 28.738 0.003 0.000 0.915 383 Q HN 0.746 nan 8.270 nan 0.000 0.416 384 D N -0.183 120.214 120.400 -0.004 0.000 2.104 384 D HA -0.233 4.414 4.640 0.010 0.000 0.194 384 D C 1.477 177.798 176.300 0.035 0.000 0.994 384 D CA 1.827 55.837 54.000 0.016 0.000 0.830 384 D CB -0.639 40.169 40.800 0.014 0.000 0.959 384 D HN 0.514 nan 8.370 nan 0.000 0.452 385 E N -0.291 119.928 120.200 0.031 0.000 2.110 385 E HA -0.105 4.252 4.350 0.010 0.000 0.193 385 E C 2.163 178.813 176.600 0.083 0.000 0.988 385 E CA 0.268 56.699 56.400 0.053 0.000 0.804 385 E CB -0.019 29.702 29.700 0.035 0.000 0.745 385 E HN 0.111 nan 8.360 nan 0.000 0.458 386 L N 0.576 121.836 121.223 0.062 0.000 2.012 386 L HA -0.195 4.151 4.340 0.010 0.000 0.210 386 L C 2.217 179.172 176.870 0.141 0.000 1.073 386 L CA 1.567 56.463 54.840 0.094 0.000 0.748 386 L CB -0.905 41.191 42.059 0.061 0.000 0.891 386 L HN 0.204 nan 8.230 nan 0.000 0.431 387 L N -0.889 120.387 121.223 0.089 0.000 2.046 387 L HA -0.243 4.104 4.340 0.010 0.000 0.208 387 L C 2.249 179.165 176.870 0.077 0.000 1.077 387 L CA 1.176 56.059 54.840 0.073 0.000 0.747 387 L CB -0.629 41.457 42.059 0.045 0.000 0.896 387 L HN 0.260 nan 8.230 nan 0.000 0.432 388 D N -0.964 119.488 120.400 0.087 0.000 2.117 388 D HA -0.241 4.406 4.640 0.010 0.000 0.197 388 D C 1.742 178.105 176.300 0.105 0.000 0.987 388 D CA 1.141 55.189 54.000 0.079 0.000 0.829 388 D CB -0.279 40.570 40.800 0.082 0.000 0.961 388 D HN 0.390 nan 8.370 nan 0.000 0.460 389 W N 0.667 121.941 121.300 -0.043 0.000 2.388 389 W HA -0.094 4.571 4.660 0.010 0.000 0.294 389 W C 1.552 178.022 176.519 -0.082 0.000 1.212 389 W CA 0.611 57.912 57.345 -0.073 0.000 1.271 389 W CB -0.059 29.348 29.460 -0.089 0.000 1.126 389 W HN -0.105 nan 8.180 nan 0.000 0.535 390 L N 0.917 122.203 121.223 0.105 0.000 2.554 390 L HA 0.025 4.372 4.340 0.010 0.000 0.226 390 L C 1.415 178.230 176.870 -0.091 0.000 1.137 390 L CA 0.985 55.807 54.840 -0.030 0.000 0.863 390 L CB -1.907 40.204 42.059 0.088 0.000 0.985 390 L HN -0.035 nan 8.230 nan 0.000 0.451 391 Q N 0.524 120.282 119.800 -0.070 0.000 2.310 391 Q HA 0.049 4.395 4.340 0.010 0.000 0.315 391 Q C 1.288 177.231 176.000 -0.096 0.000 1.081 391 Q CA 1.306 57.071 55.803 -0.063 0.000 0.981 391 Q CB 0.373 29.085 28.738 -0.044 0.000 1.184 391 Q HN 0.552 nan 8.270 nan 0.000 0.389 392 G N 3.754 112.513 108.800 -0.068 0.000 2.212 392 G HA2 -0.232 3.735 3.960 0.010 0.000 0.266 392 G HA3 -0.232 3.735 3.960 0.010 0.000 0.266 392 G C -0.213 174.640 174.900 -0.079 0.000 0.978 392 G CA 0.470 45.529 45.100 -0.070 0.000 0.632 392 G HN 0.612 nan 8.290 nan 0.000 0.537 393 E N 1.176 121.319 120.200 -0.095 0.000 2.180 393 E HA 0.236 4.592 4.350 0.010 0.000 0.283 393 E C -0.996 175.571 176.600 -0.055 0.000 1.061 393 E CA -1.375 54.970 56.400 -0.092 0.000 0.861 393 E CB 1.655 31.280 29.700 -0.125 0.000 1.056 393 E HN 0.280 nan 8.360 nan 0.000 0.407 394 P HA -0.148 nan 4.420 nan 0.000 0.216 394 P C -0.079 177.207 177.300 -0.023 0.000 1.150 394 P CA 1.247 64.329 63.100 -0.030 0.000 0.837 394 P CB 0.542 32.226 31.700 -0.027 0.000 0.786 395 R N -0.417 120.069 120.500 -0.023 0.000 2.532 395 R HA 0.604 4.950 4.340 0.010 0.000 0.297 395 R C -1.239 175.056 176.300 -0.009 0.000 0.984 395 R CA -0.762 55.329 56.100 -0.014 0.000 0.884 395 R CB 2.773 33.065 30.300 -0.013 0.000 1.182 395 R HN -0.193 nan 8.270 nan 0.000 0.442 396 V N 3.241 123.155 119.914 0.000 0.000 2.588 396 V HA 0.403 4.530 4.120 0.010 0.000 0.304 396 V C -0.436 175.667 176.094 0.016 0.000 1.042 396 V CA -0.889 61.420 62.300 0.015 0.000 0.877 396 V CB 2.299 34.138 31.823 0.026 0.000 0.996 396 V HN 0.458 nan 8.190 nan 0.000 0.425 397 V N 6.005 125.930 119.914 0.018 0.000 2.384 397 V HA 0.489 4.616 4.120 0.010 0.000 0.287 397 V C -0.197 175.911 176.094 0.023 0.000 1.020 397 V CA -0.476 61.828 62.300 0.008 0.000 0.850 397 V CB 1.657 33.469 31.823 -0.017 0.000 0.987 397 V HN 0.641 nan 8.190 nan 0.000 0.436 398 L N 6.201 127.441 121.223 0.028 0.000 2.307 398 L HA 0.801 5.148 4.340 0.010 0.000 0.282 398 L C -0.038 176.864 176.870 0.054 0.000 1.051 398 L CA -0.484 54.384 54.840 0.047 0.000 0.804 398 L CB 1.642 43.727 42.059 0.043 0.000 1.197 398 L HN 0.627 nan 8.230 nan 0.000 0.431 399 V N -1.329 118.638 119.914 0.089 0.000 3.105 399 V HA 0.500 4.626 4.120 0.010 0.000 0.311 399 V C -0.017 176.202 176.094 0.207 0.000 1.287 399 V CA -0.840 61.541 62.300 0.134 0.000 1.066 399 V CB 1.509 33.422 31.823 0.150 0.000 1.105 399 V HN 0.872 nan 8.190 nan 0.000 0.462 400 H N 0.041 119.177 119.070 0.111 0.000 2.680 400 H HA -0.064 4.498 4.556 0.010 0.000 0.328 400 H C -0.132 175.193 175.328 -0.005 0.000 1.139 400 H CA 1.377 57.476 56.048 0.086 0.000 1.124 400 H CB -0.992 28.846 29.762 0.127 0.000 1.584 400 H HN 1.948 nan 8.280 nan 0.000 0.410 401 G N 1.493 110.274 108.800 -0.031 0.000 2.411 401 G HA2 0.314 4.281 3.960 0.010 0.000 0.295 401 G HA3 0.314 4.281 3.960 0.010 0.000 0.295 401 G C -1.157 173.706 174.900 -0.062 0.000 1.542 401 G CA -0.703 44.359 45.100 -0.064 0.000 0.814 401 G HN 0.231 nan 8.290 nan 0.000 0.557 402 E N 0.244 120.392 120.200 -0.087 0.000 2.398 402 E HA 0.134 4.490 4.350 0.010 0.000 0.263 402 E C 1.165 177.744 176.600 -0.034 0.000 1.046 402 E CA -0.019 56.346 56.400 -0.057 0.000 0.908 402 E CB 1.809 31.470 29.700 -0.065 0.000 0.963 402 E HN 0.651 nan 8.360 nan 0.000 0.431 403 E N 2.207 122.397 120.200 -0.017 0.000 2.086 403 E HA -0.346 4.011 4.350 0.010 0.000 0.205 403 E C 1.168 177.763 176.600 -0.008 0.000 1.027 403 E CA 2.077 58.473 56.400 -0.006 0.000 0.830 403 E CB 0.196 29.894 29.700 -0.003 0.000 0.751 403 E HN 0.464 nan 8.360 nan 0.000 0.456 404 E N 0.629 120.822 120.200 -0.012 0.000 2.077 404 E HA -0.178 4.178 4.350 0.010 0.000 0.193 404 E C 1.971 178.563 176.600 -0.015 0.000 0.989 404 E CA 1.163 57.558 56.400 -0.010 0.000 0.800 404 E CB -0.105 29.590 29.700 -0.008 0.000 0.746 404 E HN 0.167 nan 8.360 nan 0.000 0.452 405 K N 0.244 120.626 120.400 -0.031 0.000 2.057 405 K HA -0.069 4.257 4.320 0.010 0.000 0.207 405 K C 2.042 178.628 176.600 -0.022 0.000 1.049 405 K CA 0.684 56.946 56.287 -0.042 0.000 0.931 405 K CB -0.486 31.958 32.500 -0.093 0.000 0.714 405 K HN 0.127 nan 8.250 nan 0.000 0.440 406 L N 0.823 122.036 121.223 -0.016 0.000 2.056 406 L HA -0.116 4.230 4.340 0.010 0.000 0.207 406 L C 2.245 179.119 176.870 0.007 0.000 1.078 406 L CA 1.152 55.993 54.840 0.001 0.000 0.749 406 L CB -0.801 41.263 42.059 0.008 0.000 0.901 406 L HN 0.035 nan 8.230 nan 0.000 0.433 407 L N -0.708 120.517 121.223 0.003 0.000 2.083 407 L HA -0.119 4.227 4.340 0.010 0.000 0.209 407 L C 2.613 179.487 176.870 0.007 0.000 1.083 407 L CA 1.906 56.750 54.840 0.006 0.000 0.752 407 L CB -1.503 40.559 42.059 0.004 0.000 0.899 407 L HN 0.261 nan 8.230 nan 0.000 0.433 408 A N -1.063 121.760 122.820 0.005 0.000 1.908 408 A HA -0.211 4.115 4.320 0.010 0.000 0.218 408 A C 2.370 179.961 177.584 0.012 0.000 1.181 408 A CA 1.817 53.858 52.037 0.008 0.000 0.627 408 A CB -0.719 18.285 19.000 0.006 0.000 0.818 408 A HN 0.403 nan 8.150 nan 0.000 0.445 409 L N -0.902 120.330 121.223 0.014 0.000 2.072 409 L HA -0.047 4.299 4.340 0.010 0.000 0.205 409 L C 2.581 179.463 176.870 0.021 0.000 1.079 409 L CA 1.460 56.312 54.840 0.021 0.000 0.752 409 L CB -0.817 41.258 42.059 0.026 0.000 0.906 409 L HN 0.458 nan 8.230 nan 0.000 0.436 410 G N -0.046 108.764 108.800 0.018 0.000 2.440 410 G HA2 -0.347 3.619 3.960 0.010 0.000 0.218 410 G HA3 -0.347 3.619 3.960 0.010 0.000 0.218 410 G C 1.628 176.535 174.900 0.013 0.000 1.154 410 G CA 1.008 46.118 45.100 0.016 0.000 0.767 410 G HN 0.355 nan 8.290 nan 0.000 0.552 411 K N 0.132 120.539 120.400 0.011 0.000 2.020 411 K HA -0.068 4.258 4.320 0.010 0.000 0.212 411 K C 2.520 179.126 176.600 0.010 0.000 1.050 411 K CA 1.334 57.627 56.287 0.010 0.000 0.929 411 K CB -0.336 32.169 32.500 0.009 0.000 0.714 411 K HN 0.364 nan 8.250 nan 0.000 0.443 412 L N 0.865 122.095 121.223 0.013 0.000 2.083 412 L HA -0.180 4.167 4.340 0.010 0.000 0.209 412 L C 2.475 179.352 176.870 0.013 0.000 1.083 412 L CA 0.912 55.759 54.840 0.013 0.000 0.752 412 L CB -0.396 41.673 42.059 0.016 0.000 0.899 412 L HN 0.234 nan 8.230 nan 0.000 0.433 413 L N -0.369 120.863 121.223 0.015 0.000 2.056 413 L HA -0.154 4.192 4.340 0.010 0.000 0.207 413 L C 2.915 179.790 176.870 0.007 0.000 1.078 413 L CA 1.059 55.906 54.840 0.013 0.000 0.749 413 L CB -0.723 41.347 42.059 0.017 0.000 0.901 413 L HN 0.223 nan 8.230 nan 0.000 0.433 414 A N 0.247 123.072 122.820 0.007 0.000 1.877 414 A HA -0.170 4.156 4.320 0.010 0.000 0.216 414 A C 2.220 179.806 177.584 0.003 0.000 1.186 414 A CA 1.398 53.437 52.037 0.004 0.000 0.620 414 A CB -0.790 18.213 19.000 0.005 0.000 0.822 414 A HN 0.359 nan 8.150 nan 0.000 0.443 415 L N -1.391 119.835 121.223 0.005 0.000 2.265 415 L HA -0.108 4.239 4.340 0.010 0.000 0.215 415 L C 2.570 179.442 176.870 0.003 0.000 1.117 415 L CA 1.145 55.987 54.840 0.004 0.000 0.782 415 L CB -0.271 41.791 42.059 0.006 0.000 0.914 415 L HN 0.359 nan 8.230 nan 0.000 0.441 416 R N -0.239 120.263 120.500 0.003 0.000 2.310 416 R HA 0.061 4.407 4.340 0.010 0.000 0.202 416 R C 1.176 177.474 176.300 -0.003 0.000 0.933 416 R CA 0.627 56.727 56.100 0.000 0.000 1.054 416 R CB 0.217 30.518 30.300 0.002 0.000 0.985 416 R HN 0.344 nan 8.270 nan 0.000 0.489 417 G N 0.391 109.190 108.800 -0.003 0.000 2.141 417 G HA2 -0.288 3.678 3.960 0.010 0.000 0.242 417 G HA3 -0.288 3.678 3.960 0.010 0.000 0.242 417 G C -0.293 174.603 174.900 -0.007 0.000 0.982 417 G CA -0.111 44.986 45.100 -0.005 0.000 0.662 417 G HN 0.399 nan 8.290 nan 0.000 0.527 418 Q N 0.415 120.211 119.800 -0.006 0.000 2.271 418 Q HA 0.472 4.819 4.340 0.010 0.000 0.258 418 Q C -0.153 175.844 176.000 -0.004 0.000 0.936 418 Q CA -0.492 55.306 55.803 -0.008 0.000 0.909 418 Q CB 1.342 30.076 28.738 -0.008 0.000 1.253 418 Q HN 0.553 nan 8.270 nan 0.000 0.440 419 E N 1.454 121.651 120.200 -0.006 0.000 2.344 419 E HA 0.268 4.625 4.350 0.010 0.000 0.270 419 E C -0.958 175.642 176.600 -0.001 0.000 1.021 419 E CA -0.141 56.257 56.400 -0.004 0.000 0.887 419 E CB 1.334 31.030 29.700 -0.007 0.000 0.997 419 E HN 0.187 nan 8.360 nan 0.000 0.429 420 V N 2.152 122.067 119.914 0.002 0.000 3.114 420 V HA 0.695 4.821 4.120 0.010 0.000 0.308 420 V C -1.278 174.819 176.094 0.005 0.000 1.168 420 V CA -0.264 62.039 62.300 0.006 0.000 1.015 420 V CB 2.400 34.230 31.823 0.011 0.000 1.050 420 V HN 0.853 nan 8.190 nan 0.000 0.433 421 S N 4.714 120.418 115.700 0.006 0.000 2.596 421 S HA 0.759 5.235 4.470 0.010 0.000 0.270 421 S C -1.815 172.791 174.600 0.009 0.000 1.155 421 S CA -0.786 57.417 58.200 0.005 0.000 0.827 421 S CB 1.620 64.820 63.200 -0.001 0.000 1.130 421 S HN 0.777 nan 8.310 nan 0.000 0.467 422 L N 2.305 123.534 121.223 0.010 0.000 2.257 422 L HA 0.707 5.054 4.340 0.010 0.000 0.290 422 L C 0.865 177.744 176.870 0.015 0.000 1.044 422 L CA -0.095 54.755 54.840 0.017 0.000 0.810 422 L CB 0.674 42.744 42.059 0.018 0.000 1.193 422 L HN 1.041 nan 8.230 nan 0.000 0.425 423 A N 5.273 128.101 122.820 0.013 0.000 2.561 423 A HA 0.296 4.622 4.320 0.010 0.000 0.234 423 A C 0.334 177.930 177.584 0.020 0.000 1.055 423 A CA 0.234 52.272 52.037 0.001 0.000 0.756 423 A CB 0.011 19.008 19.000 -0.005 0.000 0.986 423 A HN 0.721 nan 8.150 nan 0.000 0.505 424 R N 0.608 121.110 120.500 0.004 0.000 2.562 424 R HA 0.389 4.735 4.340 0.010 0.000 0.298 424 R C -0.742 175.577 176.300 0.031 0.000 0.961 424 R CA -0.588 55.536 56.100 0.040 0.000 0.881 424 R CB 1.566 31.884 30.300 0.030 0.000 1.159 424 R HN 0.693 nan 8.270 nan 0.000 0.450 425 F N 1.783 121.713 119.950 -0.033 0.000 2.623 425 F HA 0.069 4.602 4.527 0.009 0.000 0.383 425 F C 1.457 177.189 175.800 -0.113 0.000 1.077 425 F CA 2.120 60.089 58.000 -0.052 0.000 1.268 425 F CB 0.569 39.581 39.000 0.019 0.000 1.053 425 F HN 0.896 nan 8.300 nan 0.000 0.571 426 G N 3.658 112.014 108.800 -0.739 0.000 2.189 426 G HA2 -0.339 3.628 3.960 0.010 0.000 0.267 426 G HA3 -0.339 3.628 3.960 0.010 0.000 0.267 426 G C 0.096 174.811 174.900 -0.307 0.000 0.975 426 G CA 0.359 45.145 45.100 -0.524 0.000 0.644 426 G HN 0.668 nan 8.290 nan 0.000 0.537 427 E N 1.130 121.188 120.200 -0.237 0.000 2.046 427 E HA 0.484 4.841 4.350 0.010 0.000 0.279 427 E C 1.058 177.561 176.600 -0.162 0.000 0.989 427 E CA -0.088 56.229 56.400 -0.137 0.000 0.798 427 E CB 0.749 30.411 29.700 -0.062 0.000 1.086 427 E HN 0.422 nan 8.360 nan 0.000 0.399 428 G N 1.844 110.561 108.800 -0.138 0.000 2.484 428 G HA2 0.180 4.147 3.960 0.010 0.000 0.235 428 G HA3 0.180 4.147 3.960 0.010 0.000 0.235 428 G C -0.202 174.649 174.900 -0.082 0.000 1.282 428 G CA -0.266 44.764 45.100 -0.117 0.000 0.857 428 G HN 0.339 nan 8.290 nan 0.000 0.571 429 V N 4.979 124.846 119.914 -0.078 0.000 2.483 429 V HA 0.362 4.488 4.120 0.010 0.000 0.297 429 V C -1.877 174.191 176.094 -0.043 0.000 1.027 429 V CA -1.467 60.799 62.300 -0.056 0.000 0.855 429 V CB 2.168 33.955 31.823 -0.059 0.000 0.995 429 V HN 0.747 nan 8.190 nan 0.000 0.424 430 P HA 0.242 nan 4.420 nan 0.000 0.271 430 P C -0.450 176.838 177.300 -0.021 0.000 1.216 430 P CA 0.194 63.279 63.100 -0.024 0.000 0.776 430 P CB 1.700 33.389 31.700 -0.018 0.000 0.881 431 V N 0.000 119.904 119.914 -0.017 0.000 2.409 431 V HA 0.000 4.126 4.120 0.010 0.000 0.244 431 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 431 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556