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 1iyx_1_B DATA FIRST_RESID 1 DATA SEQUENCE SIITDVYARE ILDSRGNPTI EVEVYTESGA FGRGMVPSGA STGEYEAVEL DATA SEQUENCE RDGDKARYGG KGVTKAVDNV NNIIAEAIIG YDVRDQMAID KAMIALDGTP DATA SEQUENCE NKGKLGANAI LGVSIAVARA AADYLEVPLY HYLGGFNTKV LPTPMMNIIN DATA SEQUENCE GGSHADNSID FQEFMIMPVG APTFKEALRM GAEVFHALAA ILKSRGLATS DATA SEQUENCE VGDEGGFAPN LGSNEEGFEV IIEAIEKAGY VPGKDVVLAM DAASSEFYDK DATA SEQUENCE EKGVYVLADS GEGEKTTDEM IKFYEELVSK YPIISIEDGL DENDWDGFKK DATA SEQUENCE LTDVLGDKVQ LVGDDLFVTN TQKLSEGIEK GIANSILIKV NQIGTLTETF DATA SEQUENCE EAIEMAKEAG YTAVVSHRSG ETEDSTISDI AVATNAGQIK TGSLSRTDRI DATA SEQUENCE AKYNQLLRIE DQLGEVAEYK GLKSFYNLKA A 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.437 174.600 -0.271 0.000 1.055 1 S CA 0.000 57.922 58.200 -0.462 0.000 1.107 1 S CB 0.000 62.905 63.200 -0.491 0.000 0.593 2 I N 3.401 123.899 120.570 -0.120 0.000 2.648 2 I HA 0.204 4.375 4.170 0.001 0.000 0.284 2 I C 0.561 176.664 176.117 -0.022 0.000 1.153 2 I CA 0.386 61.653 61.300 -0.054 0.000 1.426 2 I CB 0.122 38.106 38.000 -0.026 0.000 1.381 2 I HN 0.524 nan 8.210 nan 0.000 0.571 3 I N 5.782 126.358 120.570 0.010 0.000 2.517 3 I HA -0.011 4.160 4.170 0.001 0.000 0.285 3 I C 1.345 177.497 176.117 0.059 0.000 1.106 3 I CA 0.252 61.576 61.300 0.040 0.000 1.402 3 I CB 0.529 38.563 38.000 0.056 0.000 1.399 3 I HN 0.860 nan 8.210 nan 0.000 0.535 4 T N 0.248 114.850 114.554 0.080 0.000 3.023 4 T HA 0.189 4.540 4.350 0.001 0.000 0.249 4 T C 0.144 174.891 174.700 0.080 0.000 1.050 4 T CA 0.000 62.140 62.100 0.066 0.000 1.088 4 T CB 0.123 69.022 68.868 0.052 0.000 0.946 4 T HN 0.485 nan 8.240 nan 0.000 0.480 5 D N 0.075 120.562 120.400 0.144 0.000 2.934 5 D HA 0.626 5.267 4.640 0.001 0.000 0.230 5 D C -1.635 174.812 176.300 0.245 0.000 1.204 5 D CA -0.468 53.637 54.000 0.176 0.000 0.873 5 D CB 2.714 43.593 40.800 0.132 0.000 1.645 5 D HN 0.046 nan 8.370 nan 0.000 0.502 6 V N 2.645 122.681 119.914 0.203 0.000 2.462 6 V HA 0.383 4.504 4.120 0.001 0.000 0.288 6 V C -1.530 174.705 176.094 0.234 0.000 1.020 6 V CA -0.782 61.623 62.300 0.174 0.000 0.857 6 V CB 0.919 32.797 31.823 0.092 0.000 1.013 6 V HN 0.593 nan 8.190 nan 0.000 0.431 7 Y N 4.095 124.466 120.300 0.119 0.000 2.391 7 Y HA 0.827 5.378 4.550 0.001 0.000 0.341 7 Y C -0.130 175.817 175.900 0.078 0.000 0.965 7 Y CA -0.467 57.696 58.100 0.105 0.000 1.067 7 Y CB 1.789 40.340 38.460 0.153 0.000 1.199 7 Y HN 0.713 nan 8.280 nan 0.000 0.450 8 A N 6.446 128.942 122.820 -0.539 0.000 2.356 8 A HA 0.960 5.280 4.320 0.001 0.000 0.323 8 A C -1.199 175.978 177.584 -0.680 0.000 1.119 8 A CA -0.972 50.792 52.037 -0.456 0.000 0.790 8 A CB 1.372 20.236 19.000 -0.227 0.000 1.273 8 A HN 0.932 nan 8.150 nan 0.000 0.452 9 R N 0.477 120.764 120.500 -0.355 0.000 2.739 9 R HA 0.610 4.951 4.340 0.001 0.000 0.271 9 R C -1.023 175.210 176.300 -0.110 0.000 1.010 9 R CA -0.740 55.224 56.100 -0.226 0.000 0.897 9 R CB 1.337 31.572 30.300 -0.107 0.000 1.236 9 R HN 0.639 nan 8.270 nan 0.000 0.466 10 E N 3.147 123.305 120.200 -0.070 0.000 2.130 10 E HA 0.295 4.646 4.350 0.001 0.000 0.284 10 E C -0.354 176.216 176.600 -0.049 0.000 1.018 10 E CA -0.661 55.700 56.400 -0.066 0.000 0.817 10 E CB 0.657 30.323 29.700 -0.056 0.000 1.078 10 E HN 0.519 nan 8.360 nan 0.000 0.396 11 I N 0.889 121.421 120.570 -0.064 0.000 3.522 11 I HA 0.535 4.706 4.170 0.001 0.000 0.292 11 I C -0.921 175.144 176.117 -0.086 0.000 1.147 11 I CA -1.350 59.924 61.300 -0.045 0.000 1.032 11 I CB 1.234 39.222 38.000 -0.019 0.000 1.337 11 I HN 0.335 nan 8.210 nan 0.000 0.496 12 L N 1.222 122.412 121.223 -0.056 0.000 2.330 12 L HA 0.475 4.816 4.340 0.001 0.000 0.271 12 L C -1.014 175.830 176.870 -0.045 0.000 1.013 12 L CA -0.839 53.959 54.840 -0.070 0.000 0.816 12 L CB 1.785 43.826 42.059 -0.030 0.000 1.287 12 L HN 0.725 nan 8.230 nan 0.000 0.435 13 D N -0.746 119.624 120.400 -0.051 0.000 2.478 13 D HA 0.121 4.761 4.640 0.001 0.000 0.263 13 D C 0.925 177.214 176.300 -0.018 0.000 1.153 13 D CA -0.477 53.502 54.000 -0.034 0.000 1.038 13 D CB 0.835 41.610 40.800 -0.042 0.000 1.120 13 D HN 0.473 nan 8.370 nan 0.000 0.564 14 S N -0.891 114.801 115.700 -0.013 0.000 2.500 14 S HA -0.157 4.314 4.470 0.001 0.000 0.239 14 S C 1.377 175.976 174.600 -0.002 0.000 0.989 14 S CA 0.508 58.706 58.200 -0.003 0.000 0.951 14 S CB -0.437 62.762 63.200 -0.001 0.000 0.759 14 S HN 0.502 nan 8.310 nan 0.000 0.523 15 R N 0.419 120.913 120.500 -0.010 0.000 2.334 15 R HA 0.304 4.645 4.340 0.001 0.000 0.216 15 R C 1.413 177.716 176.300 0.005 0.000 0.905 15 R CA 0.391 56.487 56.100 -0.007 0.000 1.064 15 R CB 0.134 30.423 30.300 -0.019 0.000 1.046 15 R HN 0.550 nan 8.270 nan 0.000 0.508 16 G N 1.080 109.884 108.800 0.006 0.000 2.157 16 G HA2 -0.229 3.732 3.960 0.001 0.000 0.248 16 G HA3 -0.229 3.732 3.960 0.001 0.000 0.248 16 G C -0.360 174.550 174.900 0.018 0.000 0.979 16 G CA -0.349 44.767 45.100 0.026 0.000 0.650 16 G HN 0.271 nan 8.290 nan 0.000 0.529 17 N N 1.723 120.404 118.700 -0.032 0.000 2.443 17 N HA 0.460 5.200 4.740 0.001 0.000 0.295 17 N C -2.591 172.805 175.510 -0.192 0.000 1.076 17 N CA -1.304 51.693 53.050 -0.089 0.000 0.919 17 N CB 2.089 40.543 38.487 -0.054 0.000 1.176 17 N HN 0.122 nan 8.380 nan 0.000 0.487 18 P HA 0.011 nan 4.420 nan 0.000 0.267 18 P C -0.154 177.023 177.300 -0.204 0.000 1.200 18 P CA 0.261 63.130 63.100 -0.386 0.000 0.772 18 P CB 0.898 32.220 31.700 -0.629 0.000 0.855 19 T N 1.588 116.050 114.554 -0.153 0.000 2.787 19 T HA 0.537 4.887 4.350 0.001 0.000 0.297 19 T C -0.885 173.761 174.700 -0.089 0.000 1.221 19 T CA -0.809 61.230 62.100 -0.101 0.000 1.006 19 T CB 1.086 69.909 68.868 -0.076 0.000 1.328 19 T HN 0.291 nan 8.240 nan 0.000 0.509 20 I N 1.387 121.915 120.570 -0.072 0.000 2.577 20 I HA 0.659 4.829 4.170 0.001 0.000 0.305 20 I C -0.453 175.628 176.117 -0.060 0.000 0.986 20 I CA -0.526 60.732 61.300 -0.071 0.000 1.189 20 I CB 1.283 39.242 38.000 -0.069 0.000 1.355 20 I HN 0.715 nan 8.210 nan 0.000 0.476 21 E N 5.573 125.735 120.200 -0.064 0.000 2.292 21 E HA 0.536 4.887 4.350 0.001 0.000 0.272 21 E C -2.045 174.519 176.600 -0.060 0.000 0.881 21 E CA -0.646 55.726 56.400 -0.046 0.000 0.754 21 E CB 2.354 32.043 29.700 -0.018 0.000 1.201 21 E HN 0.397 nan 8.360 nan 0.000 0.425 22 V N 3.578 123.460 119.914 -0.053 0.000 2.656 22 V HA 0.371 4.492 4.120 0.001 0.000 0.307 22 V C -0.783 175.278 176.094 -0.055 0.000 1.051 22 V CA -0.740 61.529 62.300 -0.051 0.000 0.893 22 V CB 1.983 33.768 31.823 -0.063 0.000 0.999 22 V HN 0.701 nan 8.190 nan 0.000 0.426 23 E N 2.726 122.942 120.200 0.026 0.000 2.183 23 E HA 0.700 5.051 4.350 0.001 0.000 0.271 23 E C -1.473 175.070 176.600 -0.095 0.000 0.919 23 E CA -0.661 55.686 56.400 -0.088 0.000 0.781 23 E CB 2.757 32.588 29.700 0.218 0.000 1.140 23 E HN 0.381 nan 8.360 nan 0.000 0.402 24 V N 3.573 123.252 119.914 -0.392 0.000 2.531 24 V HA 0.364 4.485 4.120 0.001 0.000 0.301 24 V C -1.306 174.622 176.094 -0.277 0.000 1.034 24 V CA -0.725 61.461 62.300 -0.191 0.000 0.865 24 V CB 0.757 32.475 31.823 -0.176 0.000 0.995 24 V HN 0.590 nan 8.190 nan 0.000 0.424 25 Y N 1.954 122.286 120.300 0.053 0.000 2.485 25 Y HA 0.708 5.259 4.550 0.001 0.000 0.345 25 Y C 0.698 176.630 175.900 0.054 0.000 0.998 25 Y CA -0.849 57.316 58.100 0.109 0.000 1.059 25 Y CB 2.373 40.922 38.460 0.147 0.000 1.234 25 Y HN 0.677 nan 8.280 nan 0.000 0.461 26 T N -2.855 111.828 114.554 0.214 0.000 2.942 26 T HA 0.272 4.623 4.350 0.001 0.000 0.289 26 T C 0.806 175.579 174.700 0.122 0.000 1.044 26 T CA -0.825 61.340 62.100 0.109 0.000 1.023 26 T CB 1.931 70.816 68.868 0.029 0.000 1.123 26 T HN 0.820 nan 8.240 nan 0.000 0.512 27 E N 0.821 121.063 120.200 0.069 0.000 2.086 27 E HA -0.252 4.099 4.350 0.001 0.000 0.205 27 E C 1.915 178.570 176.600 0.092 0.000 1.027 27 E CA 2.122 58.560 56.400 0.064 0.000 0.830 27 E CB -0.328 29.393 29.700 0.035 0.000 0.751 27 E HN 0.787 nan 8.360 nan 0.000 0.456 28 S N -1.559 114.221 115.700 0.132 0.000 2.607 28 S HA 0.132 4.603 4.470 0.001 0.000 0.224 28 S C 1.397 176.085 174.600 0.148 0.000 0.969 28 S CA 0.666 58.959 58.200 0.155 0.000 0.927 28 S CB 0.450 63.800 63.200 0.249 0.000 0.772 28 S HN 0.606 nan 8.310 nan 0.000 0.533 29 G N 0.321 109.221 108.800 0.167 0.000 2.195 29 G HA2 -0.062 3.898 3.960 0.001 0.000 0.224 29 G HA3 -0.062 3.898 3.960 0.001 0.000 0.224 29 G C 0.296 175.323 174.900 0.212 0.000 0.990 29 G CA -0.164 45.043 45.100 0.178 0.000 0.639 29 G HN 1.275 nan 8.290 nan 0.000 0.514 30 A N -0.164 122.789 122.820 0.223 0.000 2.520 30 A HA 0.621 4.942 4.320 0.001 0.000 0.235 30 A C -0.262 177.441 177.584 0.198 0.000 1.065 30 A CA 1.034 53.192 52.037 0.203 0.000 0.764 30 A CB 0.357 19.516 19.000 0.266 0.000 1.002 30 A HN 1.622 nan 8.150 nan 0.000 0.502 31 F N 0.505 120.423 119.950 -0.053 0.000 2.599 31 F HA 0.693 5.220 4.527 0.001 0.000 0.311 31 F C 0.117 175.808 175.800 -0.181 0.000 1.076 31 F CA 0.133 58.013 58.000 -0.200 0.000 0.937 31 F CB 2.050 40.913 39.000 -0.227 0.000 1.282 31 F HN 0.862 nan 8.300 nan 0.000 0.460 32 G N 3.621 111.582 108.800 -1.399 0.000 2.746 32 G HA2 0.536 4.497 3.960 0.001 0.000 0.297 32 G HA3 0.536 4.497 3.960 0.001 0.000 0.297 32 G C -2.392 171.824 174.900 -1.141 0.000 1.426 32 G CA -1.025 43.489 45.100 -0.977 0.000 0.989 32 G HN 0.841 nan 8.290 nan 0.000 0.520 33 R N 1.100 121.203 120.500 -0.662 0.000 2.476 33 R HA 0.650 4.990 4.340 0.001 0.000 0.305 33 R C -0.288 175.908 176.300 -0.174 0.000 0.965 33 R CA -0.603 55.281 56.100 -0.360 0.000 0.867 33 R CB 1.679 31.908 30.300 -0.118 0.000 1.176 33 R HN 0.751 nan 8.270 nan 0.000 0.447 34 G N 4.347 113.066 108.800 -0.135 0.000 2.416 34 G HA2 0.513 4.474 3.960 0.001 0.000 0.324 34 G HA3 0.513 4.474 3.960 0.001 0.000 0.324 34 G C -0.622 174.246 174.900 -0.054 0.000 1.194 34 G CA -0.714 44.336 45.100 -0.084 0.000 0.922 34 G HN 0.446 nan 8.290 nan 0.000 0.467 35 M N 2.161 121.739 119.600 -0.037 0.000 2.311 35 M HA 0.324 4.804 4.480 0.001 0.000 0.325 35 M C -0.634 175.649 176.300 -0.029 0.000 1.061 35 M CA -0.829 54.454 55.300 -0.029 0.000 0.957 35 M CB 2.544 35.134 32.600 -0.017 0.000 1.646 35 M HN 0.119 nan 8.290 nan 0.000 0.434 36 V N 5.424 125.318 119.914 -0.034 0.000 2.407 36 V HA 0.409 4.530 4.120 0.001 0.000 0.278 36 V C -1.852 174.223 176.094 -0.032 0.000 1.037 36 V CA -1.235 61.045 62.300 -0.032 0.000 0.900 36 V CB 0.996 32.797 31.823 -0.036 0.000 0.983 36 V HN 0.667 nan 8.190 nan 0.000 0.459 37 P HA 0.373 nan 4.420 nan 0.000 0.282 37 P C -0.709 176.570 177.300 -0.035 0.000 1.287 37 P CA -0.439 62.643 63.100 -0.031 0.000 0.792 37 P CB 1.585 33.269 31.700 -0.027 0.000 1.163 38 S N -1.641 114.035 115.700 -0.040 0.000 2.533 38 S HA 0.632 5.103 4.470 0.001 0.000 0.271 38 S C -0.431 174.143 174.600 -0.044 0.000 1.143 38 S CA -0.632 57.545 58.200 -0.039 0.000 0.891 38 S CB 0.766 63.943 63.200 -0.040 0.000 1.105 38 S HN 0.639 nan 8.310 nan 0.000 0.468 39 G N 1.332 110.112 108.800 -0.034 0.000 2.477 39 G HA2 0.577 4.538 3.960 0.001 0.000 0.304 39 G HA3 0.577 4.538 3.960 0.001 0.000 0.304 39 G C 1.101 175.988 174.900 -0.022 0.000 1.175 39 G CA -0.140 44.940 45.100 -0.033 0.000 0.907 39 G HN 1.126 nan 8.290 nan 0.000 0.509 40 A N 0.511 123.321 122.820 -0.017 0.000 1.908 40 A HA 0.227 4.547 4.320 0.001 0.000 0.218 40 A C 1.511 179.100 177.584 0.008 0.000 1.181 40 A CA 1.895 53.925 52.037 -0.011 0.000 0.627 40 A CB -0.284 18.713 19.000 -0.005 0.000 0.818 40 A HN 0.663 nan 8.150 nan 0.000 0.445 41 S N -3.556 112.157 115.700 0.021 0.000 2.720 41 S HA 0.704 5.175 4.470 0.001 0.000 0.287 41 S C -0.762 173.853 174.600 0.025 0.000 1.168 41 S CA -0.464 57.752 58.200 0.027 0.000 0.832 41 S CB 2.104 65.328 63.200 0.040 0.000 1.166 41 S HN 0.349 nan 8.310 nan 0.000 0.493 42 T N -0.055 114.516 114.554 0.029 0.000 2.802 42 T HA 0.748 5.098 4.350 0.001 0.000 0.311 42 T C -0.044 174.681 174.700 0.040 0.000 1.405 42 T CA -0.434 61.685 62.100 0.032 0.000 1.016 42 T CB 1.784 70.668 68.868 0.026 0.000 1.352 42 T HN 0.899 nan 8.240 nan 0.000 0.498 43 G N 0.151 108.982 108.800 0.052 0.000 3.137 43 G HA2 0.636 4.597 3.960 0.001 0.000 0.196 43 G HA3 0.636 4.597 3.960 0.001 0.000 0.196 43 G C -1.241 173.715 174.900 0.094 0.000 1.135 43 G CA -0.508 44.632 45.100 0.066 0.000 0.803 43 G HN 0.545 nan 8.290 nan 0.000 0.619 44 E N -0.810 119.474 120.200 0.140 0.000 2.345 44 E HA 0.371 4.722 4.350 0.001 0.000 0.259 44 E C -0.352 176.464 176.600 0.360 0.000 1.117 44 E CA -0.361 56.171 56.400 0.220 0.000 0.913 44 E CB 0.953 30.832 29.700 0.298 0.000 1.057 44 E HN 0.526 nan 8.360 nan 0.000 0.432 45 Y N -1.853 118.467 120.300 0.034 0.000 4.784 45 Y HA -0.325 4.225 4.550 0.001 0.000 0.278 45 Y C 0.673 176.594 175.900 0.034 0.000 0.980 45 Y CA 1.514 59.638 58.100 0.041 0.000 1.845 45 Y CB -0.668 37.828 38.460 0.060 0.000 1.177 45 Y HN 0.510 nan 8.280 nan 0.000 0.460 46 E N 1.665 121.960 120.200 0.158 0.000 2.156 46 E HA 0.630 4.981 4.350 0.001 0.000 0.279 46 E C 0.238 176.868 176.600 0.050 0.000 0.965 46 E CA 0.079 56.535 56.400 0.094 0.000 0.789 46 E CB 1.132 30.880 29.700 0.080 0.000 1.098 46 E HN 0.303 nan 8.360 nan 0.000 0.397 47 A N 3.383 126.223 122.820 0.033 0.000 2.609 47 A HA 0.023 4.344 4.320 0.001 0.000 0.232 47 A C 0.033 177.623 177.584 0.011 0.000 1.041 47 A CA -0.138 51.907 52.037 0.013 0.000 0.753 47 A CB 0.262 19.267 19.000 0.008 0.000 0.966 47 A HN 0.500 nan 8.150 nan 0.000 0.510 48 V N 2.834 122.750 119.914 0.003 0.000 2.555 48 V HA 0.146 4.266 4.120 0.001 0.000 0.286 48 V C 0.724 176.817 176.094 -0.003 0.000 1.044 48 V CA 0.020 62.322 62.300 0.002 0.000 1.026 48 V CB 1.064 32.887 31.823 -0.000 0.000 0.981 48 V HN 0.949 nan 8.190 nan 0.000 0.480 49 E N 4.934 125.133 120.200 -0.002 0.000 2.115 49 E HA 0.315 4.665 4.350 0.001 0.000 0.282 49 E C -0.731 175.863 176.600 -0.010 0.000 0.987 49 E CA -0.607 55.788 56.400 -0.009 0.000 0.797 49 E CB 1.116 30.810 29.700 -0.010 0.000 1.086 49 E HN 0.644 nan 8.360 nan 0.000 0.397 50 L N 5.909 127.124 121.223 -0.014 0.000 2.325 50 L HA 0.257 4.598 4.340 0.001 0.000 0.284 50 L C -0.202 176.659 176.870 -0.014 0.000 1.089 50 L CA -0.268 54.565 54.840 -0.012 0.000 0.836 50 L CB 0.052 42.102 42.059 -0.014 0.000 1.184 50 L HN 0.505 nan 8.230 nan 0.000 0.444 51 R N 2.940 123.436 120.500 -0.008 0.000 2.604 51 R HA 0.211 4.551 4.340 0.001 0.000 0.287 51 R C 0.178 176.480 176.300 0.002 0.000 0.970 51 R CA -0.736 55.361 56.100 -0.005 0.000 0.946 51 R CB 1.424 31.724 30.300 -0.000 0.000 1.127 51 R HN 0.551 nan 8.270 nan 0.000 0.473 52 D N 0.678 121.083 120.400 0.008 0.000 2.183 52 D HA -0.015 4.625 4.640 0.001 0.000 0.203 52 D C 0.884 177.196 176.300 0.020 0.000 0.969 52 D CA 1.287 55.297 54.000 0.016 0.000 0.842 52 D CB 0.101 40.916 40.800 0.026 0.000 0.957 52 D HN 0.897 nan 8.370 nan 0.000 0.484 53 G N 1.816 110.630 108.800 0.023 0.000 2.246 53 G HA2 -0.254 3.707 3.960 0.001 0.000 0.273 53 G HA3 -0.254 3.707 3.960 0.001 0.000 0.273 53 G C -0.248 174.668 174.900 0.027 0.000 1.055 53 G CA 0.294 45.408 45.100 0.024 0.000 0.851 53 G HN 0.303 nan 8.290 nan 0.000 0.500 54 D N 0.188 120.609 120.400 0.035 0.000 2.485 54 D HA 0.341 4.981 4.640 0.001 0.000 0.221 54 D C 1.681 178.002 176.300 0.036 0.000 1.112 54 D CA -0.786 53.234 54.000 0.033 0.000 0.911 54 D CB 0.381 41.204 40.800 0.039 0.000 1.019 54 D HN 0.053 nan 8.370 nan 0.000 0.516 55 K N 1.853 122.269 120.400 0.027 0.000 2.366 55 K HA -0.134 4.186 4.320 0.001 0.000 0.202 55 K C 1.147 177.757 176.600 0.018 0.000 1.045 55 K CA 0.658 56.960 56.287 0.025 0.000 0.934 55 K CB -0.148 32.362 32.500 0.018 0.000 0.746 55 K HN 0.403 nan 8.250 nan 0.000 0.470 56 A N 1.079 123.907 122.820 0.013 0.000 2.415 56 A HA 0.124 4.444 4.320 0.001 0.000 0.248 56 A C 0.349 177.926 177.584 -0.012 0.000 1.299 56 A CA -0.256 51.780 52.037 -0.001 0.000 0.899 56 A CB -0.088 18.911 19.000 -0.002 0.000 0.997 56 A HN 0.166 nan 8.150 nan 0.000 0.506 57 R N -1.280 119.225 120.500 0.008 0.000 2.659 57 R HA 0.357 4.697 4.340 0.001 0.000 0.290 57 R C -1.291 175.073 176.300 0.107 0.000 1.253 57 R CA -0.605 55.495 56.100 0.000 0.000 1.010 57 R CB 0.226 30.553 30.300 0.046 0.000 1.236 57 R HN 0.238 nan 8.270 nan 0.000 0.413 58 Y N 2.273 122.575 120.300 0.004 0.000 3.389 58 Y HA -0.247 4.303 4.550 0.001 0.000 0.213 58 Y C 1.167 177.068 175.900 0.003 0.000 1.272 58 Y CA 1.718 59.820 58.100 0.003 0.000 1.444 58 Y CB -1.434 37.027 38.460 0.002 0.000 1.445 58 Y HN 1.098 nan 8.280 nan 0.000 0.583 59 G N -0.742 108.123 108.800 0.109 0.000 2.321 59 G HA2 0.059 4.020 3.960 0.001 0.000 0.287 59 G HA3 0.059 4.020 3.960 0.001 0.000 0.287 59 G C 1.304 176.247 174.900 0.073 0.000 1.018 59 G CA 1.229 46.373 45.100 0.074 0.000 0.855 59 G HN 2.147 nan 8.290 nan 0.000 0.507 60 G N -1.183 107.667 108.800 0.083 0.000 2.179 60 G HA2 -0.305 3.655 3.960 0.001 0.000 0.257 60 G HA3 -0.305 3.655 3.960 0.001 0.000 0.257 60 G C 0.715 175.652 174.900 0.061 0.000 1.010 60 G CA 1.211 46.350 45.100 0.066 0.000 0.736 60 G HN 0.976 nan 8.290 nan 0.000 0.513 61 K N 0.202 120.653 120.400 0.085 0.000 2.399 61 K HA 0.321 4.641 4.320 0.001 0.000 0.204 61 K C 1.592 178.181 176.600 -0.017 0.000 1.023 61 K CA 0.109 56.415 56.287 0.031 0.000 1.127 61 K CB 0.760 33.273 32.500 0.021 0.000 0.856 61 K HN 0.393 nan 8.250 nan 0.000 0.514 62 G N 0.957 109.777 108.800 0.034 0.000 2.554 62 G HA2 0.152 4.113 3.960 0.001 0.000 0.238 62 G HA3 0.152 4.113 3.960 0.001 0.000 0.238 62 G C 0.527 175.406 174.900 -0.035 0.000 1.259 62 G CA -0.372 44.721 45.100 -0.011 0.000 0.843 62 G HN 0.109 nan 8.290 nan 0.000 0.582 63 V N -0.526 119.350 119.914 -0.063 0.000 2.887 63 V HA 0.289 4.409 4.120 0.001 0.000 0.370 63 V C 1.410 177.480 176.094 -0.040 0.000 1.322 63 V CA 0.394 62.662 62.300 -0.052 0.000 1.267 63 V CB -0.148 31.631 31.823 -0.072 0.000 1.344 63 V HN 0.679 nan 8.190 nan 0.000 0.573 64 T N 0.557 115.101 114.554 -0.017 0.000 2.915 64 T HA -0.101 4.250 4.350 0.001 0.000 0.269 64 T C 1.783 176.476 174.700 -0.013 0.000 1.071 64 T CA 2.126 64.220 62.100 -0.010 0.000 1.132 64 T CB -0.021 68.856 68.868 0.014 0.000 0.878 64 T HN 0.528 nan 8.240 nan 0.000 0.479 65 K N 1.076 121.469 120.400 -0.010 0.000 2.025 65 K HA 0.255 4.575 4.320 0.001 0.000 0.207 65 K C 2.356 178.945 176.600 -0.019 0.000 1.049 65 K CA 1.249 57.531 56.287 -0.010 0.000 0.933 65 K CB -0.669 31.828 32.500 -0.006 0.000 0.714 65 K HN 0.314 nan 8.250 nan 0.000 0.438 66 A N 0.223 123.028 122.820 -0.026 0.000 1.902 66 A HA -0.121 4.200 4.320 0.001 0.000 0.217 66 A C 2.308 179.865 177.584 -0.046 0.000 1.181 66 A CA 1.625 53.642 52.037 -0.034 0.000 0.623 66 A CB -0.766 18.211 19.000 -0.039 0.000 0.818 66 A HN 0.077 nan 8.150 nan 0.000 0.443 67 V N 0.619 120.499 119.914 -0.056 0.000 2.343 67 V HA -0.261 3.859 4.120 0.001 0.000 0.247 67 V C 2.176 178.229 176.094 -0.067 0.000 1.051 67 V CA 2.422 64.672 62.300 -0.083 0.000 1.036 67 V CB -0.809 30.959 31.823 -0.092 0.000 0.654 67 V HN 0.502 nan 8.190 nan 0.000 0.451 68 D N -0.073 120.304 120.400 -0.038 0.000 2.117 68 D HA -0.132 4.508 4.640 0.001 0.000 0.197 68 D C 2.059 178.350 176.300 -0.015 0.000 0.987 68 D CA 1.364 55.353 54.000 -0.020 0.000 0.829 68 D CB -0.493 40.303 40.800 -0.007 0.000 0.961 68 D HN 0.546 nan 8.370 nan 0.000 0.460 69 N N -0.231 118.458 118.700 -0.018 0.000 2.069 69 N HA -0.134 4.607 4.740 0.001 0.000 0.191 69 N C 1.832 177.333 175.510 -0.014 0.000 1.031 69 N CA 0.855 53.897 53.050 -0.014 0.000 0.852 69 N CB 0.119 38.596 38.487 -0.016 0.000 1.018 69 N HN -0.030 nan 8.380 nan 0.000 0.423 70 V N 1.357 121.255 119.914 -0.027 0.000 2.307 70 V HA -0.220 3.901 4.120 0.001 0.000 0.245 70 V C 1.620 177.710 176.094 -0.006 0.000 1.045 70 V CA 1.688 63.973 62.300 -0.025 0.000 1.024 70 V CB -0.584 31.209 31.823 -0.050 0.000 0.651 70 V HN 0.366 nan 8.190 nan 0.000 0.449 71 N N 0.114 118.806 118.700 -0.013 0.000 2.171 71 N HA -0.119 4.622 4.740 0.001 0.000 0.184 71 N C 1.534 177.065 175.510 0.036 0.000 1.021 71 N CA 1.552 54.617 53.050 0.024 0.000 0.854 71 N CB -0.121 38.379 38.487 0.020 0.000 0.994 71 N HN 0.605 nan 8.380 nan 0.000 0.426 72 N N -0.415 118.297 118.700 0.021 0.000 2.388 72 N HA 0.099 4.840 4.740 0.001 0.000 0.176 72 N C 0.860 176.382 175.510 0.019 0.000 1.062 72 N CA 0.238 53.301 53.050 0.022 0.000 0.895 72 N CB 0.601 39.099 38.487 0.017 0.000 1.018 72 N HN 0.110 nan 8.380 nan 0.000 0.456 73 I N 0.514 121.092 120.570 0.014 0.000 3.393 73 I HA 0.081 4.252 4.170 0.001 0.000 0.250 73 I C 2.022 178.150 176.117 0.018 0.000 1.122 73 I CA 0.408 61.716 61.300 0.014 0.000 1.484 73 I CB -1.057 36.947 38.000 0.007 0.000 1.468 73 I HN -0.018 nan 8.210 nan 0.000 0.461 74 I N 1.898 122.474 120.570 0.011 0.000 2.163 74 I HA -0.262 3.908 4.170 0.001 0.000 0.243 74 I C 2.859 178.992 176.117 0.027 0.000 1.085 74 I CA 1.565 62.872 61.300 0.012 0.000 1.347 74 I CB -0.532 37.465 38.000 -0.005 0.000 1.044 74 I HN 0.158 nan 8.210 nan 0.000 0.408 75 A N 0.585 123.425 122.820 0.034 0.000 1.892 75 A HA -0.322 3.999 4.320 0.001 0.000 0.218 75 A C 2.331 179.950 177.584 0.059 0.000 1.188 75 A CA 2.331 54.400 52.037 0.053 0.000 0.631 75 A CB -0.825 18.215 19.000 0.066 0.000 0.822 75 A HN 0.533 nan 8.150 nan 0.000 0.447 76 E N -0.508 119.722 120.200 0.049 0.000 2.153 76 E HA -0.103 4.248 4.350 0.001 0.000 0.194 76 E C 2.023 178.658 176.600 0.058 0.000 0.988 76 E CA 0.971 57.398 56.400 0.046 0.000 0.811 76 E CB -0.222 29.498 29.700 0.035 0.000 0.746 76 E HN 0.582 nan 8.360 nan 0.000 0.466 77 A N 0.581 123.441 122.820 0.067 0.000 1.930 77 A HA -0.063 4.258 4.320 0.001 0.000 0.215 77 A C 1.954 179.650 177.584 0.186 0.000 1.176 77 A CA 0.752 52.848 52.037 0.098 0.000 0.632 77 A CB -0.071 18.974 19.000 0.075 0.000 0.819 77 A HN 0.268 nan 8.150 nan 0.000 0.445 78 I N 0.027 120.690 120.570 0.154 0.000 2.867 78 I HA 0.141 4.311 4.170 0.001 0.000 0.265 78 I C 0.834 177.110 176.117 0.265 0.000 1.162 78 I CA 0.149 61.581 61.300 0.220 0.000 1.471 78 I CB -0.897 37.123 38.000 0.033 0.000 1.123 78 I HN 0.164 nan 8.210 nan 0.000 0.440 79 I N 1.561 122.217 120.570 0.145 0.000 2.668 79 I HA 0.153 4.324 4.170 0.001 0.000 0.285 79 I C 1.399 177.565 176.117 0.081 0.000 1.168 79 I CA 1.102 62.465 61.300 0.104 0.000 1.424 79 I CB 0.294 38.335 38.000 0.069 0.000 1.377 79 I HN 0.448 nan 8.210 nan 0.000 0.560 80 G N 4.480 113.315 108.800 0.058 0.000 2.481 80 G HA2 -0.230 3.731 3.960 0.001 0.000 0.200 80 G HA3 -0.230 3.731 3.960 0.001 0.000 0.200 80 G C 0.054 174.929 174.900 -0.042 0.000 1.012 80 G CA -0.650 44.438 45.100 -0.020 0.000 0.676 80 G HN 0.458 nan 8.290 nan 0.000 0.488 81 Y N 2.029 122.314 120.300 -0.025 0.000 2.385 81 Y HA 0.441 4.991 4.550 0.001 0.000 0.346 81 Y C 0.789 176.656 175.900 -0.054 0.000 1.270 81 Y CA 0.553 58.632 58.100 -0.034 0.000 1.472 81 Y CB 0.545 38.987 38.460 -0.030 0.000 1.354 81 Y HN 0.135 nan 8.280 nan 0.000 0.611 82 D N 1.218 121.710 120.400 0.154 0.000 2.313 82 D HA 0.017 4.657 4.640 0.001 0.000 0.239 82 D C 0.905 177.202 176.300 -0.005 0.000 1.142 82 D CA 0.002 54.010 54.000 0.013 0.000 0.847 82 D CB 1.611 42.404 40.800 -0.010 0.000 1.082 82 D HN 0.529 nan 8.370 nan 0.000 0.480 83 V N 5.563 125.426 119.914 -0.086 0.000 2.511 83 V HA -0.282 3.839 4.120 0.001 0.000 0.257 83 V C 2.107 178.159 176.094 -0.071 0.000 1.088 83 V CA 1.945 64.185 62.300 -0.100 0.000 1.098 83 V CB -0.331 31.393 31.823 -0.164 0.000 0.674 83 V HN 0.553 nan 8.190 nan 0.000 0.470 84 R N -0.274 120.196 120.500 -0.050 0.000 2.307 84 R HA 0.001 4.342 4.340 0.001 0.000 0.199 84 R C 0.469 176.823 176.300 0.090 0.000 1.000 84 R CA 0.613 56.755 56.100 0.071 0.000 1.023 84 R CB -0.112 30.235 30.300 0.079 0.000 0.908 84 R HN 0.481 nan 8.270 nan 0.000 0.473 85 D N 1.058 121.480 120.400 0.037 0.000 3.085 85 D HA -0.028 4.612 4.640 0.001 0.000 0.243 85 D C 1.016 177.285 176.300 -0.052 0.000 1.232 85 D CA 0.209 54.219 54.000 0.018 0.000 0.913 85 D CB 0.654 41.503 40.800 0.081 0.000 1.108 85 D HN 0.039 nan 8.370 nan 0.000 0.468 86 Q N 0.616 120.396 119.800 -0.033 0.000 1.998 86 Q HA -0.218 4.122 4.340 0.001 0.000 0.209 86 Q C 1.865 177.798 176.000 -0.110 0.000 1.002 86 Q CA 1.784 57.540 55.803 -0.078 0.000 0.858 86 Q CB -0.029 28.656 28.738 -0.088 0.000 0.932 86 Q HN 0.396 nan 8.270 nan 0.000 0.416 87 M N -0.910 118.632 119.600 -0.096 0.000 2.080 87 M HA -0.231 4.250 4.480 0.001 0.000 0.260 87 M C 2.168 178.420 176.300 -0.080 0.000 1.068 87 M CA 1.709 56.959 55.300 -0.083 0.000 1.109 87 M CB -0.504 32.059 32.600 -0.062 0.000 1.342 87 M HN 0.369 nan 8.290 nan 0.000 0.405 88 A N 0.568 123.344 122.820 -0.073 0.000 1.877 88 A HA -0.146 4.174 4.320 0.001 0.000 0.216 88 A C 2.054 179.509 177.584 -0.215 0.000 1.186 88 A CA 1.561 53.559 52.037 -0.065 0.000 0.620 88 A CB -0.912 18.113 19.000 0.042 0.000 0.822 88 A HN 0.476 nan 8.150 nan 0.000 0.443 89 I N -0.298 120.059 120.570 -0.354 0.000 2.252 89 I HA -0.211 3.960 4.170 0.001 0.000 0.245 89 I C 1.715 177.682 176.117 -0.250 0.000 1.102 89 I CA 1.416 62.431 61.300 -0.476 0.000 1.385 89 I CB -0.421 37.319 38.000 -0.432 0.000 1.064 89 I HN 0.254 nan 8.210 nan 0.000 0.414 90 D N 0.734 121.035 120.400 -0.165 0.000 2.219 90 D HA -0.168 4.473 4.640 0.001 0.000 0.205 90 D C 2.081 178.332 176.300 -0.082 0.000 0.970 90 D CA 0.999 54.935 54.000 -0.107 0.000 0.851 90 D CB -0.028 40.721 40.800 -0.084 0.000 0.943 90 D HN 0.311 nan 8.370 nan 0.000 0.488 91 K N 0.598 120.950 120.400 -0.080 0.000 2.167 91 K HA 0.021 4.342 4.320 0.001 0.000 0.203 91 K C 1.948 178.525 176.600 -0.039 0.000 1.052 91 K CA 0.725 56.983 56.287 -0.047 0.000 0.956 91 K CB 0.173 32.654 32.500 -0.032 0.000 0.735 91 K HN -0.053 nan 8.250 nan 0.000 0.451 92 A N 1.242 124.025 122.820 -0.061 0.000 1.898 92 A HA -0.129 4.191 4.320 0.001 0.000 0.216 92 A C 2.077 179.644 177.584 -0.027 0.000 1.181 92 A CA 1.406 53.428 52.037 -0.025 0.000 0.620 92 A CB -0.392 18.586 19.000 -0.038 0.000 0.819 92 A HN 0.299 nan 8.150 nan 0.000 0.442 93 M N -0.782 118.784 119.600 -0.057 0.000 2.175 93 M HA -0.025 4.456 4.480 0.001 0.000 0.264 93 M C 2.035 178.318 176.300 -0.029 0.000 1.063 93 M CA 1.256 56.531 55.300 -0.042 0.000 1.119 93 M CB -0.458 32.108 32.600 -0.056 0.000 1.377 93 M HN 0.366 nan 8.290 nan 0.000 0.415 94 I N 0.255 120.806 120.570 -0.031 0.000 2.226 94 I HA -0.250 3.920 4.170 0.001 0.000 0.245 94 I C 2.725 178.832 176.117 -0.017 0.000 1.100 94 I CA 1.272 62.558 61.300 -0.024 0.000 1.374 94 I CB -0.486 37.499 38.000 -0.025 0.000 1.057 94 I HN 0.250 nan 8.210 nan 0.000 0.413 95 A N 0.475 123.287 122.820 -0.012 0.000 1.898 95 A HA -0.190 4.130 4.320 0.001 0.000 0.216 95 A C 2.212 179.795 177.584 -0.003 0.000 1.181 95 A CA 1.225 53.259 52.037 -0.005 0.000 0.620 95 A CB -0.755 18.246 19.000 0.002 0.000 0.819 95 A HN 0.338 nan 8.150 nan 0.000 0.442 96 L N 0.531 121.753 121.223 -0.001 0.000 2.042 96 L HA -0.202 4.138 4.340 0.001 0.000 0.210 96 L C 1.959 178.827 176.870 -0.003 0.000 1.076 96 L CA 2.737 57.578 54.840 0.002 0.000 0.749 96 L CB -0.765 41.296 42.059 0.004 0.000 0.893 96 L HN 0.590 nan 8.230 nan 0.000 0.432 97 D N -1.813 118.583 120.400 -0.008 0.000 2.084 97 D HA -0.030 4.611 4.640 0.001 0.000 0.196 97 D C 1.865 178.160 176.300 -0.009 0.000 0.985 97 D CA 2.019 56.013 54.000 -0.010 0.000 0.826 97 D CB -0.050 40.741 40.800 -0.014 0.000 0.978 97 D HN 0.468 nan 8.370 nan 0.000 0.456 98 G N -0.780 108.013 108.800 -0.011 0.000 2.498 98 G HA2 -0.318 3.643 3.960 0.001 0.000 0.229 98 G HA3 -0.318 3.643 3.960 0.001 0.000 0.229 98 G C 0.677 175.568 174.900 -0.015 0.000 1.156 98 G CA 1.006 46.100 45.100 -0.011 0.000 0.680 98 G HN 0.810 nan 8.290 nan 0.000 0.512 99 T N 0.307 114.851 114.554 -0.016 0.000 2.899 99 T HA 0.605 4.956 4.350 0.001 0.000 0.295 99 T C -0.626 174.059 174.700 -0.025 0.000 1.033 99 T CA -0.538 61.549 62.100 -0.020 0.000 1.084 99 T CB 2.206 71.063 68.868 -0.018 0.000 0.979 99 T HN 0.188 nan 8.240 nan 0.000 0.532 100 P HA 0.029 nan 4.420 nan 0.000 0.236 100 P C 0.433 177.708 177.300 -0.042 0.000 1.177 100 P CA 0.498 63.573 63.100 -0.042 0.000 0.773 100 P CB 0.026 31.692 31.700 -0.057 0.000 0.878 101 N N -0.194 118.485 118.700 -0.036 0.000 2.282 101 N HA 0.054 4.795 4.740 0.001 0.000 0.240 101 N C 0.242 175.741 175.510 -0.017 0.000 1.182 101 N CA -0.534 52.499 53.050 -0.028 0.000 0.874 101 N CB -0.328 38.142 38.487 -0.028 0.000 1.126 101 N HN -0.076 nan 8.380 nan 0.000 0.516 102 K N -0.951 119.438 120.400 -0.018 0.000 3.048 102 K HA -0.192 4.129 4.320 0.001 0.000 0.274 102 K C 1.031 177.623 176.600 -0.013 0.000 1.098 102 K CA 0.833 57.110 56.287 -0.016 0.000 0.807 102 K CB -1.708 30.783 32.500 -0.015 0.000 1.217 102 K HN 0.492 nan 8.250 nan 0.000 0.477 103 G N 1.039 109.832 108.800 -0.012 0.000 2.509 103 G HA2 -0.253 3.707 3.960 0.001 0.000 0.218 103 G HA3 -0.253 3.707 3.960 0.001 0.000 0.218 103 G C 1.239 176.134 174.900 -0.008 0.000 1.124 103 G CA 0.996 46.090 45.100 -0.009 0.000 0.776 103 G HN 0.387 nan 8.290 nan 0.000 0.547 104 K N -0.056 120.339 120.400 -0.009 0.000 2.005 104 K HA 0.146 4.467 4.320 0.001 0.000 0.206 104 K C 2.280 178.875 176.600 -0.008 0.000 1.044 104 K CA 0.598 56.881 56.287 -0.008 0.000 0.942 104 K CB -0.234 32.261 32.500 -0.007 0.000 0.727 104 K HN 0.301 nan 8.250 nan 0.000 0.439 105 L N -0.127 121.089 121.223 -0.011 0.000 2.270 105 L HA 0.159 4.499 4.340 0.001 0.000 0.210 105 L C 0.629 177.489 176.870 -0.016 0.000 1.104 105 L CA 0.369 55.201 54.840 -0.013 0.000 0.804 105 L CB -0.044 42.006 42.059 -0.014 0.000 0.937 105 L HN 0.561 nan 8.230 nan 0.000 0.450 106 G N -0.899 107.891 108.800 -0.015 0.000 3.067 106 G HA2 -0.023 3.938 3.960 0.001 0.000 0.686 106 G HA3 -0.023 3.938 3.960 0.001 0.000 0.686 106 G C 0.422 175.310 174.900 -0.019 0.000 1.119 106 G CA -0.372 44.718 45.100 -0.017 0.000 0.790 106 G HN 0.142 nan 8.290 nan 0.000 0.605 107 A N 2.025 124.835 122.820 -0.016 0.000 2.019 107 A HA -0.045 4.276 4.320 0.001 0.000 0.219 107 A C 2.292 179.864 177.584 -0.021 0.000 1.164 107 A CA 2.233 54.260 52.037 -0.016 0.000 0.644 107 A CB -0.404 18.590 19.000 -0.010 0.000 0.805 107 A HN 1.426 nan 8.150 nan 0.000 0.449 108 N N 1.222 119.908 118.700 -0.024 0.000 2.188 108 N HA -0.023 4.717 4.740 0.001 0.000 0.184 108 N C 1.623 177.111 175.510 -0.036 0.000 1.018 108 N CA 1.712 54.744 53.050 -0.031 0.000 0.858 108 N CB -0.914 37.552 38.487 -0.035 0.000 0.989 108 N HN 0.362 nan 8.380 nan 0.000 0.426 109 A N 1.738 124.536 122.820 -0.036 0.000 1.873 109 A HA 0.005 4.325 4.320 0.001 0.000 0.215 109 A C 2.225 179.786 177.584 -0.039 0.000 1.186 109 A CA 1.152 53.166 52.037 -0.040 0.000 0.616 109 A CB -0.480 18.499 19.000 -0.035 0.000 0.823 109 A HN 0.185 nan 8.150 nan 0.000 0.442 110 I N -0.474 120.076 120.570 -0.034 0.000 2.179 110 I HA -0.198 3.973 4.170 0.001 0.000 0.242 110 I C 2.466 178.560 176.117 -0.039 0.000 1.088 110 I CA 1.254 62.532 61.300 -0.036 0.000 1.357 110 I CB -1.554 36.428 38.000 -0.031 0.000 1.051 110 I HN 0.333 nan 8.210 nan 0.000 0.409 111 L N 1.776 122.980 121.223 -0.032 0.000 2.017 111 L HA -0.075 4.266 4.340 0.001 0.000 0.208 111 L C 2.512 179.360 176.870 -0.038 0.000 1.073 111 L CA 2.265 57.087 54.840 -0.029 0.000 0.745 111 L CB -1.357 40.690 42.059 -0.020 0.000 0.894 111 L HN 0.245 nan 8.230 nan 0.000 0.432 112 G N -1.111 107.663 108.800 -0.042 0.000 2.505 112 G HA2 -0.255 3.706 3.960 0.001 0.000 0.220 112 G HA3 -0.255 3.706 3.960 0.001 0.000 0.220 112 G C 1.527 176.390 174.900 -0.061 0.000 1.145 112 G CA 1.308 46.377 45.100 -0.052 0.000 0.761 112 G HN 0.366 nan 8.290 nan 0.000 0.571 113 V N 0.416 120.295 119.914 -0.058 0.000 2.379 113 V HA -0.143 3.977 4.120 0.001 0.000 0.245 113 V C 2.961 179.012 176.094 -0.073 0.000 1.044 113 V CA 2.050 64.312 62.300 -0.064 0.000 1.036 113 V CB -0.345 31.444 31.823 -0.056 0.000 0.664 113 V HN 0.481 nan 8.190 nan 0.000 0.453 114 S N -0.007 115.655 115.700 -0.064 0.000 2.359 114 S HA -0.218 4.252 4.470 0.001 0.000 0.222 114 S C 1.928 176.492 174.600 -0.060 0.000 1.038 114 S CA 2.194 60.356 58.200 -0.064 0.000 1.051 114 S CB -0.381 62.789 63.200 -0.049 0.000 0.944 114 S HN 0.501 nan 8.310 nan 0.000 0.433 115 I N 1.525 122.064 120.570 -0.052 0.000 2.226 115 I HA -0.168 4.003 4.170 0.001 0.000 0.245 115 I C 2.806 178.872 176.117 -0.084 0.000 1.100 115 I CA 1.085 62.356 61.300 -0.048 0.000 1.374 115 I CB -0.636 37.342 38.000 -0.037 0.000 1.057 115 I HN 0.387 nan 8.210 nan 0.000 0.413 116 A N 0.601 123.354 122.820 -0.112 0.000 1.883 116 A HA -0.180 4.141 4.320 0.001 0.000 0.217 116 A C 2.475 179.949 177.584 -0.185 0.000 1.186 116 A CA 1.962 53.892 52.037 -0.178 0.000 0.624 116 A CB -1.071 17.823 19.000 -0.176 0.000 0.822 116 A HN 0.236 nan 8.150 nan 0.000 0.444 117 V N -0.233 119.602 119.914 -0.133 0.000 2.287 117 V HA -0.284 3.837 4.120 0.001 0.000 0.248 117 V C 3.082 179.106 176.094 -0.116 0.000 1.053 117 V CA 2.145 64.372 62.300 -0.121 0.000 1.027 117 V CB -1.208 30.557 31.823 -0.097 0.000 0.646 117 V HN 0.648 nan 8.190 nan 0.000 0.447 118 A N -0.015 122.770 122.820 -0.058 0.000 1.902 118 A HA -0.229 4.092 4.320 0.001 0.000 0.217 118 A C 2.330 179.847 177.584 -0.112 0.000 1.181 118 A CA 1.885 53.941 52.037 0.032 0.000 0.623 118 A CB -0.477 18.590 19.000 0.111 0.000 0.818 118 A HN 0.563 nan 8.150 nan 0.000 0.443 119 R N -0.489 119.942 120.500 -0.114 0.000 2.115 119 R HA 0.023 4.363 4.340 0.001 0.000 0.230 119 R C 2.411 178.590 176.300 -0.202 0.000 1.111 119 R CA 1.031 57.048 56.100 -0.139 0.000 0.976 119 R CB -0.452 29.770 30.300 -0.131 0.000 0.870 119 R HN 0.488 nan 8.270 nan 0.000 0.445 120 A N 1.557 124.236 122.820 -0.235 0.000 1.933 120 A HA -0.067 4.254 4.320 0.001 0.000 0.218 120 A C 2.376 179.855 177.584 -0.175 0.000 1.175 120 A CA 1.595 53.502 52.037 -0.217 0.000 0.628 120 A CB -0.487 18.377 19.000 -0.227 0.000 0.814 120 A HN 0.375 nan 8.150 nan 0.000 0.444 121 A N -0.245 122.399 122.820 -0.294 0.000 1.929 121 A HA 0.258 4.578 4.320 0.001 0.000 0.216 121 A C 2.468 179.737 177.584 -0.525 0.000 1.176 121 A CA 1.752 53.533 52.037 -0.427 0.000 0.628 121 A CB -0.888 17.694 19.000 -0.695 0.000 0.816 121 A HN 0.962 nan 8.150 nan 0.000 0.444 122 A N 0.161 122.625 122.820 -0.593 0.000 1.902 122 A HA -0.198 4.123 4.320 0.001 0.000 0.217 122 A C 1.840 179.326 177.584 -0.163 0.000 1.181 122 A CA 2.165 53.989 52.037 -0.355 0.000 0.623 122 A CB -0.735 18.159 19.000 -0.177 0.000 0.818 122 A HN 0.525 nan 8.150 nan 0.000 0.443 123 D N -1.752 118.577 120.400 -0.118 0.000 2.092 123 D HA -0.241 4.400 4.640 0.001 0.000 0.193 123 D C 1.764 178.042 176.300 -0.037 0.000 0.994 123 D CA 1.835 55.807 54.000 -0.046 0.000 0.828 123 D CB -0.358 40.439 40.800 -0.006 0.000 0.963 123 D HN 0.504 nan 8.370 nan 0.000 0.450 124 Y N 0.673 120.904 120.300 -0.114 0.000 2.114 124 Y HA -0.136 4.415 4.550 0.001 0.000 0.282 124 Y C 1.908 177.764 175.900 -0.073 0.000 1.165 124 Y CA 1.611 59.663 58.100 -0.082 0.000 1.148 124 Y CB -0.325 38.076 38.460 -0.097 0.000 0.972 124 Y HN 0.056 nan 8.280 nan 0.000 0.504 125 L N 0.510 121.676 121.223 -0.096 0.000 2.552 125 L HA -0.064 4.277 4.340 0.001 0.000 0.227 125 L C 0.377 177.174 176.870 -0.121 0.000 1.146 125 L CA 0.869 55.642 54.840 -0.113 0.000 0.858 125 L CB -0.515 41.554 42.059 0.018 0.000 0.969 125 L HN 0.263 nan 8.230 nan 0.000 0.451 126 E N 0.209 120.336 120.200 -0.122 0.000 2.297 126 E HA -0.191 4.160 4.350 0.001 0.000 0.228 126 E C -0.514 176.057 176.600 -0.049 0.000 1.213 126 E CA 0.420 56.770 56.400 -0.084 0.000 0.712 126 E CB -1.526 28.117 29.700 -0.095 0.000 1.202 126 E HN 0.375 nan 8.360 nan 0.000 0.376 127 V N -3.243 116.646 119.914 -0.040 0.000 2.925 127 V HA 0.729 4.849 4.120 0.001 0.000 0.311 127 V C -2.358 173.702 176.094 -0.056 0.000 1.104 127 V CA -2.305 59.984 62.300 -0.018 0.000 0.954 127 V CB 2.037 33.875 31.823 0.025 0.000 1.022 127 V HN -0.058 nan 8.190 nan 0.000 0.427 128 P HA 0.069 nan 4.420 nan 0.000 0.266 128 P C 0.715 177.823 177.300 -0.320 0.000 1.195 128 P CA -0.125 62.782 63.100 -0.320 0.000 0.768 128 P CB 1.257 32.535 31.700 -0.704 0.000 0.838 129 L N 4.312 125.434 121.223 -0.168 0.000 2.043 129 L HA -0.236 4.105 4.340 0.001 0.000 0.212 129 L C 2.529 179.415 176.870 0.027 0.000 1.075 129 L CA 1.939 56.777 54.840 -0.003 0.000 0.752 129 L CB -1.838 40.255 42.059 0.057 0.000 0.891 129 L HN 0.473 nan 8.230 nan 0.000 0.432 130 Y N -2.849 117.476 120.300 0.043 0.000 2.274 130 Y HA -0.192 4.359 4.550 0.001 0.000 0.290 130 Y C 2.416 178.349 175.900 0.056 0.000 1.145 130 Y CA 1.698 59.804 58.100 0.011 0.000 1.203 130 Y CB -1.435 36.969 38.460 -0.093 0.000 0.984 130 Y HN 0.338 nan 8.280 nan 0.000 0.533 131 H N -1.723 117.208 119.070 -0.233 0.000 2.372 131 H HA -0.115 4.442 4.556 0.001 0.000 0.301 131 H C 1.750 177.076 175.328 -0.004 0.000 1.065 131 H CA 1.110 57.113 56.048 -0.074 0.000 1.364 131 H CB -0.190 29.473 29.762 -0.164 0.000 1.406 131 H HN 0.383 nan 8.280 nan 0.000 0.521 132 Y N 1.256 121.574 120.300 0.029 0.000 2.224 132 Y HA -0.196 4.355 4.550 0.001 0.000 0.289 132 Y C 1.867 177.757 175.900 -0.016 0.000 1.146 132 Y CA 1.237 59.337 58.100 -0.000 0.000 1.182 132 Y CB -0.349 38.093 38.460 -0.031 0.000 0.983 132 Y HN 0.080 nan 8.280 nan 0.000 0.524 133 L N -1.265 119.848 121.223 -0.183 0.000 2.068 133 L HA 0.033 4.374 4.340 0.001 0.000 0.204 133 L C 2.374 179.161 176.870 -0.138 0.000 1.076 133 L CA 1.291 55.950 54.840 -0.302 0.000 0.753 133 L CB -0.689 41.330 42.059 -0.066 0.000 0.910 133 L HN 0.308 nan 8.230 nan 0.000 0.439 134 G N -1.337 107.506 108.800 0.070 0.000 3.159 134 G HA2 0.468 4.428 3.960 0.001 0.000 0.232 134 G HA3 0.468 4.428 3.960 0.001 0.000 0.232 134 G C 0.640 175.569 174.900 0.050 0.000 1.116 134 G CA 0.437 45.606 45.100 0.116 0.000 0.767 134 G HN 0.521 nan 8.290 nan 0.000 0.547 135 G N 0.018 108.850 108.800 0.052 0.000 2.548 135 G HA2 -0.057 3.904 3.960 0.001 0.000 0.208 135 G HA3 -0.057 3.904 3.960 0.001 0.000 0.208 135 G C 0.577 175.553 174.900 0.127 0.000 1.308 135 G CA 0.118 45.258 45.100 0.066 0.000 0.924 135 G HN 0.862 nan 8.290 nan 0.000 0.540 136 F N 0.494 120.459 119.950 0.026 0.000 2.335 136 F HA 0.304 4.832 4.527 0.001 0.000 0.296 136 F C 1.241 177.123 175.800 0.137 0.000 1.091 136 F CA 1.050 59.031 58.000 -0.031 0.000 1.399 136 F CB -0.145 38.810 39.000 -0.075 0.000 1.067 136 F HN 0.397 nan 8.300 nan 0.000 0.520 137 N N 1.469 119.490 118.700 -1.132 0.000 3.331 137 N HA 0.128 4.868 4.740 0.001 0.000 0.303 137 N C -1.115 174.244 175.510 -0.251 0.000 1.326 137 N CA 0.080 52.676 53.050 -0.757 0.000 1.207 137 N CB -0.421 37.420 38.487 -1.076 0.000 1.477 137 N HN 0.351 nan 8.380 nan 0.000 0.541 138 T N -0.806 113.735 114.554 -0.021 0.000 2.912 138 T HA 0.338 4.688 4.350 0.001 0.000 0.326 138 T C 0.297 174.973 174.700 -0.040 0.000 1.080 138 T CA -0.821 61.278 62.100 -0.001 0.000 1.000 138 T CB 1.167 70.103 68.868 0.113 0.000 1.008 138 T HN 0.248 nan 8.240 nan 0.000 0.473 139 K N 1.477 121.829 120.400 -0.079 0.000 2.585 139 K HA 0.153 4.473 4.320 0.001 0.000 0.210 139 K C -0.628 175.915 176.600 -0.094 0.000 1.294 139 K CA -0.278 55.956 56.287 -0.090 0.000 1.025 139 K CB -0.117 32.369 32.500 -0.022 0.000 1.076 139 K HN 0.461 nan 8.250 nan 0.000 0.613 140 V N 3.909 123.762 119.914 -0.103 0.000 2.372 140 V HA 0.220 4.340 4.120 0.001 0.000 0.261 140 V C 0.261 176.288 176.094 -0.112 0.000 1.055 140 V CA -0.729 61.516 62.300 -0.091 0.000 0.930 140 V CB 0.844 32.609 31.823 -0.097 0.000 1.031 140 V HN 0.163 nan 8.190 nan 0.000 0.479 141 L N 8.734 129.921 121.223 -0.061 0.000 2.416 141 L HA 0.334 4.674 4.340 0.001 0.000 0.272 141 L C -1.707 175.142 176.870 -0.035 0.000 1.161 141 L CA -1.287 53.515 54.840 -0.064 0.000 0.845 141 L CB 1.095 43.208 42.059 0.091 0.000 1.119 141 L HN 0.411 nan 8.230 nan 0.000 0.464 142 P HA 0.057 nan 4.420 nan 0.000 0.271 142 P C -0.502 176.853 177.300 0.091 0.000 1.218 142 P CA -0.327 62.737 63.100 -0.060 0.000 0.780 142 P CB 0.552 32.207 31.700 -0.075 0.000 0.901 143 T N 5.455 119.961 114.554 -0.081 0.000 2.737 143 T HA 0.260 4.610 4.350 0.001 0.000 0.296 143 T C -1.924 172.837 174.700 0.101 0.000 0.922 143 T CA -1.066 61.027 62.100 -0.012 0.000 1.079 143 T CB -0.015 68.726 68.868 -0.212 0.000 0.892 143 T HN 0.398 nan 8.240 nan 0.000 0.514 144 P HA 0.193 nan 4.420 nan 0.000 0.275 144 P C -0.736 176.632 177.300 0.112 0.000 1.228 144 P CA -0.565 62.660 63.100 0.209 0.000 0.786 144 P CB 0.788 32.649 31.700 0.270 0.000 0.927 145 M N 3.891 123.551 119.600 0.100 0.000 2.268 145 M HA 0.299 4.780 4.480 0.001 0.000 0.340 145 M C -0.622 175.718 176.300 0.066 0.000 1.099 145 M CA -0.479 54.865 55.300 0.074 0.000 1.053 145 M CB -0.049 32.589 32.600 0.062 0.000 1.284 145 M HN 0.241 nan 8.290 nan 0.000 0.410 146 M N 3.211 122.840 119.600 0.048 0.000 2.144 146 M HA 0.287 4.767 4.480 0.001 0.000 0.356 146 M C 0.195 176.510 176.300 0.025 0.000 1.217 146 M CA -0.355 54.959 55.300 0.022 0.000 1.087 146 M CB 0.617 33.187 32.600 -0.050 0.000 1.609 146 M HN 0.500 nan 8.290 nan 0.000 0.467 147 N N 3.305 122.012 118.700 0.011 0.000 2.497 147 N HA 0.099 4.839 4.740 0.001 0.000 0.268 147 N C -0.452 175.078 175.510 0.033 0.000 1.171 147 N CA 0.344 53.416 53.050 0.036 0.000 0.948 147 N CB 0.969 39.475 38.487 0.032 0.000 1.069 147 N HN 0.699 nan 8.380 nan 0.000 0.460 148 I N 2.827 123.449 120.570 0.087 0.000 3.878 148 I HA 0.236 4.407 4.170 0.001 0.000 0.273 148 I C 0.148 176.352 176.117 0.146 0.000 1.165 148 I CA 0.301 61.680 61.300 0.131 0.000 1.360 148 I CB 0.165 38.267 38.000 0.171 0.000 1.539 148 I HN 0.434 nan 8.210 nan 0.000 0.447 149 I N 1.657 122.301 120.570 0.124 0.000 2.530 149 I HA 0.305 4.476 4.170 0.001 0.000 0.297 149 I C -0.785 175.295 176.117 -0.062 0.000 1.011 149 I CA -0.485 60.846 61.300 0.051 0.000 1.107 149 I CB 1.469 39.474 38.000 0.008 0.000 1.285 149 I HN 0.095 nan 8.210 nan 0.000 0.436 150 N N 2.123 120.782 118.700 -0.069 0.000 2.292 150 N HA 0.823 5.563 4.740 0.001 0.000 0.303 150 N C 0.062 175.484 175.510 -0.147 0.000 1.140 150 N CA -0.531 52.474 53.050 -0.076 0.000 0.788 150 N CB 2.574 41.089 38.487 0.046 0.000 1.361 150 N HN 0.813 nan 8.380 nan 0.000 0.489 151 G N -1.197 107.515 108.800 -0.148 0.000 3.039 151 G HA2 0.625 4.585 3.960 0.001 0.000 0.202 151 G HA3 0.625 4.585 3.960 0.001 0.000 0.202 151 G C 0.316 175.174 174.900 -0.070 0.000 1.151 151 G CA -0.043 44.967 45.100 -0.150 0.000 0.836 151 G HN 0.787 nan 8.290 nan 0.000 0.598 152 G N 0.033 108.783 108.800 -0.084 0.000 2.661 152 G HA2 -0.226 3.735 3.960 0.001 0.000 0.327 152 G HA3 -0.226 3.735 3.960 0.001 0.000 0.327 152 G C 1.804 176.715 174.900 0.019 0.000 1.320 152 G CA 2.541 47.624 45.100 -0.029 0.000 0.997 152 G HN 1.983 nan 8.290 nan 0.000 0.543 153 S N -1.032 114.700 115.700 0.053 0.000 2.453 153 S HA 0.015 4.486 4.470 0.001 0.000 0.231 153 S C 1.235 175.973 174.600 0.230 0.000 1.005 153 S CA 1.474 59.749 58.200 0.125 0.000 0.949 153 S CB -0.215 63.075 63.200 0.150 0.000 0.774 153 S HN 0.735 nan 8.310 nan 0.000 0.510 154 H N 2.070 121.152 119.070 0.019 0.000 2.794 154 H HA 0.667 5.223 4.556 0.001 0.000 0.256 154 H C 0.386 175.713 175.328 -0.001 0.000 1.637 154 H CA -0.174 55.881 56.048 0.012 0.000 1.222 154 H CB -0.267 29.505 29.762 0.016 0.000 1.545 154 H HN 0.561 nan 8.280 nan 0.000 0.518 155 A N 0.679 123.561 122.820 0.102 0.000 2.481 155 A HA 0.115 4.436 4.320 0.001 0.000 0.295 155 A C -1.451 176.148 177.584 0.025 0.000 0.986 155 A CA -0.967 51.098 52.037 0.046 0.000 0.617 155 A CB 0.885 19.895 19.000 0.017 0.000 1.364 155 A HN 0.334 nan 8.150 nan 0.000 0.452 156 D N 1.306 121.712 120.400 0.011 0.000 2.943 156 D HA 0.340 4.981 4.640 0.001 0.000 0.347 156 D C -0.371 175.923 176.300 -0.010 0.000 1.305 156 D CA 0.138 54.139 54.000 0.003 0.000 0.870 156 D CB 0.107 40.911 40.800 0.007 0.000 1.081 156 D HN 0.612 nan 8.370 nan 0.000 0.492 157 N N -2.592 116.095 118.700 -0.022 0.000 3.316 157 N HA 0.297 5.038 4.740 0.001 0.000 0.300 157 N C 0.342 175.820 175.510 -0.053 0.000 1.567 157 N CA -0.663 52.365 53.050 -0.035 0.000 0.821 157 N CB 0.599 39.062 38.487 -0.041 0.000 1.748 157 N HN -0.282 nan 8.380 nan 0.000 0.603 158 S N -0.320 115.342 115.700 -0.062 0.000 2.269 158 S HA 0.255 4.726 4.470 0.001 0.000 0.167 158 S C 0.017 174.543 174.600 -0.124 0.000 1.319 158 S CA 0.236 58.386 58.200 -0.082 0.000 2.086 158 S CB -0.850 62.310 63.200 -0.066 0.000 0.582 158 S HN 0.590 nan 8.310 nan 0.000 0.360 159 I N 3.062 123.551 120.570 -0.135 0.000 3.588 159 I HA -0.234 3.937 4.170 0.001 0.000 0.126 159 I C 0.249 176.199 176.117 -0.277 0.000 0.989 159 I CA -0.319 60.863 61.300 -0.196 0.000 2.745 159 I CB -0.803 37.040 38.000 -0.261 0.000 1.196 159 I HN 0.405 nan 8.210 nan 0.000 0.343 160 D N 4.816 124.958 120.400 -0.429 0.000 2.133 160 D HA -0.133 4.508 4.640 0.001 0.000 0.195 160 D C 0.781 176.769 176.300 -0.520 0.000 0.997 160 D CA 1.622 55.247 54.000 -0.625 0.000 0.840 160 D CB -0.014 40.193 40.800 -0.989 0.000 0.947 160 D HN 0.386 nan 8.370 nan 0.000 0.452 161 F N 0.710 120.600 119.950 -0.100 0.000 2.490 161 F HA 0.075 4.602 4.527 0.001 0.000 0.336 161 F C 1.931 177.667 175.800 -0.108 0.000 1.178 161 F CA -0.339 57.676 58.000 0.025 0.000 1.301 161 F CB 0.231 39.346 39.000 0.190 0.000 1.175 161 F HN -0.098 nan 8.300 nan 0.000 0.593 162 Q N -0.279 119.601 119.800 0.132 0.000 2.282 162 Q HA 0.212 4.552 4.340 0.001 0.000 0.206 162 Q C -0.312 175.648 176.000 -0.067 0.000 0.878 162 Q CA 0.150 55.924 55.803 -0.049 0.000 0.944 162 Q CB 0.752 29.383 28.738 -0.179 0.000 1.100 162 Q HN 0.756 nan 8.270 nan 0.000 0.509 163 E N 0.243 120.435 120.200 -0.013 0.000 2.397 163 E HA 0.292 4.642 4.350 0.001 0.000 0.293 163 E C -1.776 174.954 176.600 0.216 0.000 0.930 163 E CA -0.432 55.983 56.400 0.026 0.000 0.793 163 E CB 1.191 30.939 29.700 0.080 0.000 1.259 163 E HN 0.238 nan 8.360 nan 0.000 0.406 164 F N 4.183 124.121 119.950 -0.021 0.000 2.480 164 F HA 0.602 5.129 4.527 0.001 0.000 0.329 164 F C 0.274 176.070 175.800 -0.006 0.000 1.091 164 F CA -1.016 56.947 58.000 -0.062 0.000 0.972 164 F CB 1.834 40.722 39.000 -0.186 0.000 1.150 164 F HN 0.251 nan 8.300 nan 0.000 0.467 165 M N 4.489 124.206 119.600 0.194 0.000 2.593 165 M HA 0.534 5.015 4.480 0.001 0.000 0.290 165 M C -0.913 175.437 176.300 0.083 0.000 1.244 165 M CA -0.879 54.493 55.300 0.120 0.000 0.857 165 M CB 3.316 35.975 32.600 0.098 0.000 1.738 165 M HN 0.411 nan 8.290 nan 0.000 0.461 166 I N -0.832 119.775 120.570 0.062 0.000 2.525 166 I HA 0.679 4.850 4.170 0.001 0.000 0.301 166 I C -1.184 174.950 176.117 0.029 0.000 0.992 166 I CA -0.763 60.560 61.300 0.038 0.000 1.162 166 I CB 1.733 39.747 38.000 0.024 0.000 1.332 166 I HN 0.699 nan 8.210 nan 0.000 0.458 167 M N 6.038 125.656 119.600 0.031 0.000 2.035 167 M HA 0.325 4.806 4.480 0.001 0.000 0.286 167 M C -2.489 173.832 176.300 0.035 0.000 0.907 167 M CA -1.392 53.940 55.300 0.052 0.000 0.935 167 M CB 2.274 34.942 32.600 0.113 0.000 1.557 167 M HN 0.389 nan 8.290 nan 0.000 0.426 168 P HA -0.004 nan 4.420 nan 0.000 0.237 168 P C 0.924 178.274 177.300 0.083 0.000 1.701 168 P CA 0.127 63.199 63.100 -0.047 0.000 0.955 168 P CB -0.630 30.972 31.700 -0.163 0.000 1.937 169 V N -1.360 118.622 119.914 0.115 0.000 2.720 169 V HA -0.028 4.093 4.120 0.001 0.000 0.256 169 V C 2.191 178.391 176.094 0.177 0.000 1.082 169 V CA 1.930 64.334 62.300 0.173 0.000 1.101 169 V CB -1.765 30.145 31.823 0.145 0.000 0.693 169 V HN 0.259 nan 8.190 nan 0.000 0.479 170 G N -0.066 108.794 108.800 0.100 0.000 2.712 170 G HA2 0.355 4.316 3.960 0.001 0.000 0.212 170 G HA3 0.355 4.316 3.960 0.001 0.000 0.212 170 G C 0.771 175.715 174.900 0.073 0.000 1.142 170 G CA 0.413 45.565 45.100 0.087 0.000 0.789 170 G HN 0.944 nan 8.290 nan 0.000 0.535 171 A N 1.193 124.028 122.820 0.024 0.000 2.445 171 A HA 0.504 4.825 4.320 0.001 0.000 0.242 171 A C -0.268 177.283 177.584 -0.055 0.000 1.075 171 A CA -0.768 51.219 52.037 -0.082 0.000 0.777 171 A CB 0.879 19.719 19.000 -0.267 0.000 1.013 171 A HN 0.151 nan 8.150 nan 0.000 0.493 172 P HA -0.005 nan 4.420 nan 0.000 0.220 172 P C 0.494 177.763 177.300 -0.052 0.000 1.152 172 P CA 1.645 64.743 63.100 -0.003 0.000 0.812 172 P CB 0.002 31.701 31.700 -0.001 0.000 0.792 173 T N -5.538 108.867 114.554 -0.248 0.000 2.896 173 T HA 0.342 4.692 4.350 0.001 0.000 0.297 173 T C 0.356 174.691 174.700 -0.607 0.000 1.108 173 T CA -0.732 61.206 62.100 -0.271 0.000 1.004 173 T CB 0.979 69.788 68.868 -0.098 0.000 1.159 173 T HN -0.173 nan 8.240 nan 0.000 0.499 174 F N 1.561 121.180 119.950 -0.553 0.000 2.161 174 F HA 0.026 4.554 4.527 0.001 0.000 0.300 174 F C 2.395 178.012 175.800 -0.304 0.000 1.089 174 F CA 1.921 59.641 58.000 -0.467 0.000 1.282 174 F CB -0.170 38.779 39.000 -0.085 0.000 1.010 174 F HN 0.761 nan 8.300 nan 0.000 0.485 175 K N 0.143 120.429 120.400 -0.189 0.000 2.020 175 K HA -0.242 4.079 4.320 0.001 0.000 0.212 175 K C 2.098 178.509 176.600 -0.315 0.000 1.050 175 K CA 1.981 58.150 56.287 -0.196 0.000 0.929 175 K CB -0.221 32.242 32.500 -0.061 0.000 0.714 175 K HN 0.190 nan 8.250 nan 0.000 0.443 176 E N 0.229 120.259 120.200 -0.285 0.000 2.051 176 E HA -0.181 4.170 4.350 0.001 0.000 0.192 176 E C 1.999 178.384 176.600 -0.357 0.000 0.991 176 E CA 1.230 57.480 56.400 -0.249 0.000 0.799 176 E CB -0.475 29.115 29.700 -0.182 0.000 0.748 176 E HN 0.451 nan 8.360 nan 0.000 0.449 177 A N 1.427 123.931 122.820 -0.525 0.000 1.903 177 A HA -0.223 4.098 4.320 0.001 0.000 0.219 177 A C 2.296 179.545 177.584 -0.560 0.000 1.191 177 A CA 1.788 53.498 52.037 -0.544 0.000 0.638 177 A CB -0.779 17.826 19.000 -0.660 0.000 0.823 177 A HN 0.268 nan 8.150 nan 0.000 0.451 178 L N -0.470 120.309 121.223 -0.740 0.000 2.046 178 L HA -0.136 4.204 4.340 0.001 0.000 0.208 178 L C 2.480 179.118 176.870 -0.387 0.000 1.077 178 L CA 2.221 56.661 54.840 -0.666 0.000 0.747 178 L CB -0.550 41.089 42.059 -0.700 0.000 0.896 178 L HN 0.405 nan 8.230 nan 0.000 0.432 179 R N -0.584 119.743 120.500 -0.287 0.000 2.081 179 R HA -0.204 4.136 4.340 0.001 0.000 0.235 179 R C 2.300 178.530 176.300 -0.116 0.000 1.131 179 R CA 2.168 58.184 56.100 -0.140 0.000 0.960 179 R CB -0.511 29.739 30.300 -0.084 0.000 0.856 179 R HN 0.497 nan 8.270 nan 0.000 0.436 180 M N -0.518 118.942 119.600 -0.233 0.000 2.065 180 M HA -0.141 4.340 4.480 0.001 0.000 0.259 180 M C 2.059 178.176 176.300 -0.306 0.000 1.071 180 M CA 2.444 57.490 55.300 -0.423 0.000 1.109 180 M CB -0.606 31.599 32.600 -0.659 0.000 1.313 180 M HN 0.252 nan 8.290 nan 0.000 0.408 181 G N -0.867 107.765 108.800 -0.280 0.000 2.432 181 G HA2 -0.110 3.851 3.960 0.001 0.000 0.219 181 G HA3 -0.110 3.851 3.960 0.001 0.000 0.219 181 G C 1.447 176.296 174.900 -0.085 0.000 1.135 181 G CA 0.921 45.908 45.100 -0.189 0.000 0.767 181 G HN 0.657 nan 8.290 nan 0.000 0.550 182 A N 1.109 123.876 122.820 -0.088 0.000 1.873 182 A HA 0.010 4.331 4.320 0.001 0.000 0.215 182 A C 2.144 179.882 177.584 0.256 0.000 1.186 182 A CA 1.770 53.832 52.037 0.043 0.000 0.616 182 A CB -0.369 18.663 19.000 0.053 0.000 0.823 182 A HN 0.432 nan 8.150 nan 0.000 0.442 183 E N -0.254 120.077 120.200 0.218 0.000 2.153 183 E HA -0.110 4.240 4.350 0.001 0.000 0.194 183 E C 1.924 178.675 176.600 0.251 0.000 0.988 183 E CA 1.216 57.783 56.400 0.278 0.000 0.811 183 E CB -0.247 29.615 29.700 0.269 0.000 0.746 183 E HN 0.434 nan 8.360 nan 0.000 0.466 184 V N 1.001 121.026 119.914 0.186 0.000 2.323 184 V HA -0.217 3.903 4.120 0.001 0.000 0.244 184 V C 1.987 178.189 176.094 0.181 0.000 1.041 184 V CA 1.548 63.945 62.300 0.162 0.000 1.025 184 V CB -0.534 31.346 31.823 0.095 0.000 0.656 184 V HN 0.225 nan 8.190 nan 0.000 0.451 185 F N 1.318 121.273 119.950 0.008 0.000 2.091 185 F HA -0.268 4.260 4.527 0.001 0.000 0.299 185 F C 2.325 178.169 175.800 0.072 0.000 1.103 185 F CA 2.365 60.354 58.000 -0.019 0.000 1.228 185 F CB -0.526 38.343 39.000 -0.220 0.000 0.984 185 F HN 0.292 nan 8.300 nan 0.000 0.477 186 H N -0.658 118.485 119.070 0.122 0.000 2.363 186 H HA 0.074 4.631 4.556 0.001 0.000 0.301 186 H C 2.399 177.715 175.328 -0.019 0.000 1.074 186 H CA 1.174 57.228 56.048 0.011 0.000 1.354 186 H CB -0.570 29.250 29.762 0.096 0.000 1.397 186 H HN 0.328 nan 8.280 nan 0.000 0.516 187 A N 0.985 123.897 122.820 0.154 0.000 1.908 187 A HA -0.190 4.131 4.320 0.001 0.000 0.218 187 A C 2.253 179.851 177.584 0.022 0.000 1.181 187 A CA 1.698 53.786 52.037 0.084 0.000 0.627 187 A CB -0.756 18.306 19.000 0.102 0.000 0.818 187 A HN 0.362 nan 8.150 nan 0.000 0.445 188 L N -0.188 121.046 121.223 0.020 0.000 1.994 188 L HA -0.053 4.287 4.340 0.001 0.000 0.208 188 L C 2.659 179.418 176.870 -0.184 0.000 1.071 188 L CA 2.407 57.231 54.840 -0.027 0.000 0.745 188 L CB -0.942 41.160 42.059 0.070 0.000 0.892 188 L HN 0.332 nan 8.230 nan 0.000 0.431 189 A N -0.445 122.201 122.820 -0.290 0.000 2.032 189 A HA -0.188 4.133 4.320 0.001 0.000 0.221 189 A C 2.418 179.833 177.584 -0.281 0.000 1.165 189 A CA 2.032 53.758 52.037 -0.519 0.000 0.645 189 A CB -1.180 17.586 19.000 -0.390 0.000 0.807 189 A HN 0.659 nan 8.150 nan 0.000 0.453 190 A N -0.133 122.603 122.820 -0.140 0.000 1.897 190 A HA 0.026 4.347 4.320 0.001 0.000 0.215 190 A C 1.978 179.505 177.584 -0.096 0.000 1.181 190 A CA 1.436 53.420 52.037 -0.087 0.000 0.620 190 A CB -0.391 18.589 19.000 -0.034 0.000 0.821 190 A HN 0.402 nan 8.150 nan 0.000 0.443 191 I N 0.404 120.917 120.570 -0.096 0.000 2.179 191 I HA -0.211 3.960 4.170 0.001 0.000 0.242 191 I C 2.484 178.535 176.117 -0.110 0.000 1.088 191 I CA 1.159 62.411 61.300 -0.080 0.000 1.357 191 I CB -1.549 36.418 38.000 -0.056 0.000 1.051 191 I HN 0.286 nan 8.210 nan 0.000 0.409 192 L N 0.363 121.479 121.223 -0.178 0.000 2.046 192 L HA -0.223 4.117 4.340 0.001 0.000 0.208 192 L C 2.605 179.373 176.870 -0.170 0.000 1.077 192 L CA 1.310 56.030 54.840 -0.200 0.000 0.747 192 L CB -0.839 41.015 42.059 -0.343 0.000 0.896 192 L HN 0.195 nan 8.230 nan 0.000 0.432 193 K N 1.124 121.414 120.400 -0.184 0.000 2.026 193 K HA -0.169 4.151 4.320 0.001 0.000 0.208 193 K C 2.314 178.863 176.600 -0.086 0.000 1.048 193 K CA 2.077 58.286 56.287 -0.130 0.000 0.929 193 K CB -0.544 31.884 32.500 -0.120 0.000 0.713 193 K HN 0.375 nan 8.250 nan 0.000 0.439 194 S N 1.128 116.781 115.700 -0.077 0.000 2.353 194 S HA -0.250 4.220 4.470 0.001 0.000 0.222 194 S C 1.668 176.240 174.600 -0.047 0.000 1.035 194 S CA 1.383 59.551 58.200 -0.053 0.000 1.025 194 S CB -0.733 62.440 63.200 -0.045 0.000 0.902 194 S HN 0.556 nan 8.310 nan 0.000 0.440 195 R N 1.885 122.353 120.500 -0.052 0.000 2.823 195 R HA 0.389 4.729 4.340 0.001 0.000 0.250 195 R C 0.887 177.160 176.300 -0.044 0.000 1.332 195 R CA 0.241 56.316 56.100 -0.041 0.000 1.259 195 R CB -1.347 28.930 30.300 -0.037 0.000 1.225 195 R HN 0.492 nan 8.270 nan 0.000 0.545 196 G N 1.521 110.291 108.800 -0.049 0.000 2.352 196 G HA2 -0.255 3.706 3.960 0.001 0.000 0.283 196 G HA3 -0.255 3.706 3.960 0.001 0.000 0.283 196 G C -0.500 174.369 174.900 -0.051 0.000 0.946 196 G CA 0.284 45.356 45.100 -0.046 0.000 1.317 196 G HN 0.387 nan 8.290 nan 0.000 0.478 197 L N -0.167 121.013 121.223 -0.072 0.000 2.393 197 L HA 0.777 5.118 4.340 0.001 0.000 0.260 197 L C 0.855 177.670 176.870 -0.093 0.000 1.002 197 L CA -1.084 53.711 54.840 -0.076 0.000 0.818 197 L CB 2.051 44.057 42.059 -0.087 0.000 1.369 197 L HN 0.506 nan 8.230 nan 0.000 0.412 198 A N 0.319 123.100 122.820 -0.066 0.000 2.553 198 A HA 0.128 4.449 4.320 0.001 0.000 0.258 198 A C 0.991 178.518 177.584 -0.094 0.000 1.069 198 A CA 0.770 52.778 52.037 -0.050 0.000 0.767 198 A CB 0.107 19.103 19.000 -0.007 0.000 0.997 198 A HN 0.811 nan 8.150 nan 0.000 0.512 199 T N 1.992 116.491 114.554 -0.093 0.000 3.065 199 T HA 0.116 4.466 4.350 0.001 0.000 0.252 199 T C 1.000 175.751 174.700 0.085 0.000 1.099 199 T CA 0.860 62.872 62.100 -0.146 0.000 1.063 199 T CB -0.387 68.402 68.868 -0.131 0.000 0.948 199 T HN 0.621 nan 8.240 nan 0.000 0.506 200 S N 1.327 117.087 115.700 0.100 0.000 2.576 200 S HA 0.394 4.865 4.470 0.001 0.000 0.272 200 S C 0.214 174.954 174.600 0.233 0.000 1.352 200 S CA -0.314 57.973 58.200 0.145 0.000 1.021 200 S CB 1.107 64.360 63.200 0.087 0.000 0.887 200 S HN 0.502 nan 8.310 nan 0.000 0.542 201 V N -0.484 119.541 119.914 0.186 0.000 3.096 201 V HA 1.033 5.154 4.120 0.001 0.000 0.319 201 V C 0.481 176.628 176.094 0.088 0.000 1.103 201 V CA -0.582 61.811 62.300 0.156 0.000 1.016 201 V CB 1.245 33.139 31.823 0.118 0.000 1.090 201 V HN 0.847 nan 8.190 nan 0.000 0.449 202 G N -0.305 108.531 108.800 0.059 0.000 2.753 202 G HA2 0.441 4.402 3.960 0.001 0.000 0.285 202 G HA3 0.441 4.402 3.960 0.001 0.000 0.285 202 G C -0.064 174.845 174.900 0.014 0.000 1.344 202 G CA -0.085 45.033 45.100 0.029 0.000 1.050 202 G HN 0.712 nan 8.290 nan 0.000 0.532 203 D N -0.041 120.353 120.400 -0.011 0.000 2.149 203 D HA -0.120 4.521 4.640 0.001 0.000 0.194 203 D C 1.953 178.267 176.300 0.023 0.000 1.001 203 D CA 1.440 55.433 54.000 -0.010 0.000 0.849 203 D CB 0.112 40.882 40.800 -0.051 0.000 0.939 203 D HN 0.512 nan 8.370 nan 0.000 0.449 204 E N -0.882 119.348 120.200 0.049 0.000 2.489 204 E HA 0.306 4.657 4.350 0.001 0.000 0.193 204 E C 1.303 177.902 176.600 -0.001 0.000 1.057 204 E CA 0.512 56.964 56.400 0.086 0.000 0.866 204 E CB 0.150 29.955 29.700 0.175 0.000 0.916 204 E HN 0.255 nan 8.360 nan 0.000 0.500 205 G N 0.135 108.926 108.800 -0.015 0.000 2.147 205 G HA2 -0.232 3.728 3.960 0.001 0.000 0.244 205 G HA3 -0.232 3.728 3.960 0.001 0.000 0.244 205 G C 0.534 175.364 174.900 -0.117 0.000 1.005 205 G CA -0.057 45.010 45.100 -0.056 0.000 0.713 205 G HN 0.555 nan 8.290 nan 0.000 0.515 206 G N -1.273 107.475 108.800 -0.085 0.000 2.568 206 G HA2 0.710 4.670 3.960 0.001 0.000 0.293 206 G HA3 0.710 4.670 3.960 0.001 0.000 0.293 206 G C -0.318 174.484 174.900 -0.163 0.000 1.347 206 G CA -1.211 43.797 45.100 -0.153 0.000 1.039 206 G HN 0.301 nan 8.290 nan 0.000 0.523 207 F N -0.775 119.248 119.950 0.122 0.000 2.458 207 F HA 0.535 5.063 4.527 0.001 0.000 0.330 207 F C 0.721 176.532 175.800 0.017 0.000 1.082 207 F CA -0.795 57.233 58.000 0.046 0.000 0.995 207 F CB 2.545 41.542 39.000 -0.006 0.000 1.170 207 F HN 0.464 nan 8.300 nan 0.000 0.478 208 A N 2.906 125.858 122.820 0.220 0.000 2.956 208 A HA 0.360 4.680 4.320 0.001 0.000 0.294 208 A C -2.579 175.036 177.584 0.051 0.000 0.993 208 A CA -1.257 50.839 52.037 0.098 0.000 1.032 208 A CB -0.854 18.193 19.000 0.078 0.000 1.129 208 A HN 0.369 nan 8.150 nan 0.000 0.505 209 P HA -0.025 nan 4.420 nan 0.000 0.268 209 P C -0.550 176.738 177.300 -0.020 0.000 1.204 209 P CA -0.038 63.055 63.100 -0.012 0.000 0.768 209 P CB 0.582 32.259 31.700 -0.038 0.000 0.842 210 N N 4.143 122.830 118.700 -0.022 0.000 2.400 210 N HA 0.105 4.846 4.740 0.001 0.000 0.267 210 N C -0.703 174.791 175.510 -0.026 0.000 1.208 210 N CA 0.177 53.213 53.050 -0.024 0.000 0.951 210 N CB -0.325 38.151 38.487 -0.019 0.000 1.227 210 N HN 0.368 nan 8.380 nan 0.000 0.488 211 L N 1.222 122.426 121.223 -0.032 0.000 2.341 211 L HA 0.557 4.897 4.340 0.001 0.000 0.267 211 L C 1.050 177.906 176.870 -0.024 0.000 1.009 211 L CA -1.221 53.605 54.840 -0.024 0.000 0.819 211 L CB 2.111 44.157 42.059 -0.021 0.000 1.323 211 L HN 0.404 nan 8.230 nan 0.000 0.425 212 G N 0.311 109.105 108.800 -0.011 0.000 4.477 212 G HA2 0.457 4.418 3.960 0.001 0.000 0.319 212 G HA3 0.457 4.418 3.960 0.001 0.000 0.319 212 G C -0.392 174.511 174.900 0.006 0.000 1.391 212 G CA -0.113 44.979 45.100 -0.012 0.000 1.261 212 G HN 0.432 nan 8.290 nan 0.000 0.556 213 S N 0.355 116.064 115.700 0.015 0.000 2.744 213 S HA 0.060 4.530 4.470 0.001 0.000 0.310 213 S C 0.405 175.073 174.600 0.114 0.000 0.896 213 S CA -0.696 57.542 58.200 0.064 0.000 0.807 213 S CB 0.151 63.405 63.200 0.091 0.000 1.007 213 S HN 0.188 nan 8.310 nan 0.000 0.483 214 N N 2.684 121.494 118.700 0.184 0.000 2.166 214 N HA -0.086 4.655 4.740 0.001 0.000 0.186 214 N C 1.200 176.997 175.510 0.478 0.000 1.019 214 N CA 1.556 54.813 53.050 0.346 0.000 0.856 214 N CB -0.183 38.600 38.487 0.494 0.000 0.993 214 N HN 0.686 nan 8.380 nan 0.000 0.426 215 E N 1.167 121.656 120.200 0.482 0.000 2.204 215 E HA -0.096 4.255 4.350 0.001 0.000 0.195 215 E C 1.735 178.505 176.600 0.283 0.000 0.990 215 E CA 0.649 57.363 56.400 0.522 0.000 0.821 215 E CB -0.034 29.968 29.700 0.503 0.000 0.750 215 E HN 0.456 nan 8.360 nan 0.000 0.477 216 E N -0.386 119.934 120.200 0.200 0.000 2.031 216 E HA -0.159 4.191 4.350 0.001 0.000 0.193 216 E C 2.199 178.850 176.600 0.085 0.000 0.994 216 E CA 1.041 57.512 56.400 0.118 0.000 0.800 216 E CB -0.354 29.393 29.700 0.078 0.000 0.752 216 E HN 0.386 nan 8.360 nan 0.000 0.447 217 G N 0.505 109.370 108.800 0.107 0.000 2.469 217 G HA2 -0.266 3.695 3.960 0.001 0.000 0.219 217 G HA3 -0.266 3.695 3.960 0.001 0.000 0.219 217 G C 1.219 176.133 174.900 0.023 0.000 1.150 217 G CA 0.820 46.004 45.100 0.140 0.000 0.763 217 G HN 0.125 nan 8.290 nan 0.000 0.561 218 F N 1.011 120.911 119.950 -0.084 0.000 2.146 218 F HA 0.088 4.615 4.527 0.001 0.000 0.298 218 F C 2.777 178.338 175.800 -0.399 0.000 1.096 218 F CA 1.470 59.139 58.000 -0.552 0.000 1.275 218 F CB -0.343 37.832 39.000 -1.375 0.000 1.008 218 F HN 0.221 nan 8.300 nan 0.000 0.480 219 E N -0.563 119.587 120.200 -0.083 0.000 2.216 219 E HA -0.106 4.245 4.350 0.001 0.000 0.192 219 E C 2.279 178.907 176.600 0.047 0.000 0.988 219 E CA 0.717 57.136 56.400 0.032 0.000 0.834 219 E CB -0.284 29.490 29.700 0.123 0.000 0.772 219 E HN 0.206 nan 8.360 nan 0.000 0.479 220 V N 1.067 121.006 119.914 0.041 0.000 2.626 220 V HA -0.171 3.950 4.120 0.001 0.000 0.252 220 V C 1.756 177.879 176.094 0.048 0.000 1.067 220 V CA 1.296 63.621 62.300 0.041 0.000 1.081 220 V CB -0.130 31.715 31.823 0.036 0.000 0.686 220 V HN 0.248 nan 8.190 nan 0.000 0.468 221 I N -0.526 120.075 120.570 0.053 0.000 2.400 221 I HA -0.099 4.072 4.170 0.001 0.000 0.248 221 I C 2.214 178.369 176.117 0.063 0.000 1.109 221 I CA 0.779 62.120 61.300 0.067 0.000 1.425 221 I CB -0.269 37.773 38.000 0.070 0.000 1.094 221 I HN 0.197 nan 8.210 nan 0.000 0.425 222 I N 1.710 122.313 120.570 0.055 0.000 2.315 222 I HA -0.279 3.891 4.170 0.001 0.000 0.251 222 I C 2.505 178.663 176.117 0.069 0.000 1.125 222 I CA 1.807 63.148 61.300 0.067 0.000 1.392 222 I CB -1.225 36.823 38.000 0.081 0.000 1.065 222 I HN 0.501 nan 8.210 nan 0.000 0.424 223 E N 1.340 121.576 120.200 0.061 0.000 2.230 223 E HA -0.007 4.344 4.350 0.001 0.000 0.192 223 E C 2.179 178.813 176.600 0.056 0.000 0.987 223 E CA 0.932 57.365 56.400 0.054 0.000 0.841 223 E CB -0.197 29.528 29.700 0.042 0.000 0.783 223 E HN 0.337 nan 8.360 nan 0.000 0.481 224 A N 1.671 124.528 122.820 0.062 0.000 2.014 224 A HA -0.028 4.292 4.320 0.001 0.000 0.218 224 A C 2.188 179.833 177.584 0.102 0.000 1.163 224 A CA 0.642 52.723 52.037 0.073 0.000 0.652 224 A CB -0.303 18.742 19.000 0.075 0.000 0.808 224 A HN 0.188 nan 8.150 nan 0.000 0.449 225 I N 0.044 120.677 120.570 0.104 0.000 2.202 225 I HA -0.186 3.985 4.170 0.001 0.000 0.242 225 I C 2.319 178.530 176.117 0.157 0.000 1.091 225 I CA 1.590 62.972 61.300 0.136 0.000 1.368 225 I CB -1.460 36.605 38.000 0.108 0.000 1.058 225 I HN 0.441 nan 8.210 nan 0.000 0.410 226 E N 0.942 121.202 120.200 0.101 0.000 2.046 226 E HA -0.217 4.134 4.350 0.001 0.000 0.190 226 E C 2.075 178.702 176.600 0.045 0.000 0.982 226 E CA 1.104 57.546 56.400 0.070 0.000 0.800 226 E CB -0.054 29.677 29.700 0.052 0.000 0.756 226 E HN 0.504 nan 8.360 nan 0.000 0.449 227 K N 0.434 120.863 120.400 0.048 0.000 2.360 227 K HA 0.005 4.326 4.320 0.001 0.000 0.201 227 K C 1.743 178.364 176.600 0.036 0.000 1.046 227 K CA 1.252 57.558 56.287 0.031 0.000 0.945 227 K CB 0.086 32.605 32.500 0.030 0.000 0.750 227 K HN 0.024 nan 8.250 nan 0.000 0.464 228 A N 0.803 123.670 122.820 0.080 0.000 2.169 228 A HA 0.286 4.607 4.320 0.001 0.000 0.212 228 A C 1.622 179.191 177.584 -0.025 0.000 1.153 228 A CA 0.524 52.630 52.037 0.114 0.000 0.756 228 A CB -0.405 18.753 19.000 0.264 0.000 0.813 228 A HN 0.637 nan 8.150 nan 0.000 0.471 229 G N -2.694 106.057 108.800 -0.081 0.000 2.144 229 G HA2 -0.228 3.733 3.960 0.001 0.000 0.218 229 G HA3 -0.228 3.733 3.960 0.001 0.000 0.218 229 G C -0.162 174.489 174.900 -0.414 0.000 0.988 229 G CA 0.152 45.095 45.100 -0.261 0.000 0.659 229 G HN 0.427 nan 8.290 nan 0.000 0.522 230 Y N -1.057 119.251 120.300 0.013 0.000 2.487 230 Y HA 0.599 5.149 4.550 0.001 0.000 0.337 230 Y C 0.560 176.468 175.900 0.014 0.000 1.076 230 Y CA -0.759 57.348 58.100 0.011 0.000 1.115 230 Y CB 2.180 40.647 38.460 0.011 0.000 1.235 230 Y HN 0.266 nan 8.280 nan 0.000 0.468 231 V N 6.143 126.162 119.914 0.175 0.000 2.368 231 V HA 0.396 4.517 4.120 0.001 0.000 0.266 231 V C -2.281 173.872 176.094 0.097 0.000 1.045 231 V CA -2.466 59.896 62.300 0.102 0.000 0.899 231 V CB 0.464 32.328 31.823 0.068 0.000 1.006 231 V HN 0.573 nan 8.190 nan 0.000 0.470 232 P HA 0.233 nan 4.420 nan 0.000 0.270 232 P C 0.929 178.253 177.300 0.040 0.000 1.223 232 P CA 1.325 64.461 63.100 0.060 0.000 0.785 232 P CB 1.065 32.801 31.700 0.061 0.000 0.923 233 G N 1.221 110.035 108.800 0.023 0.000 2.284 233 G HA2 -0.321 3.640 3.960 0.001 0.000 0.261 233 G HA3 -0.321 3.640 3.960 0.001 0.000 0.261 233 G C 0.939 175.844 174.900 0.008 0.000 0.997 233 G CA 0.918 46.020 45.100 0.004 0.000 0.621 233 G HN 0.690 nan 8.290 nan 0.000 0.534 234 K N -0.972 119.445 120.400 0.028 0.000 2.424 234 K HA 0.179 4.500 4.320 0.001 0.000 0.200 234 K C 1.253 177.884 176.600 0.050 0.000 1.279 234 K CA 0.714 57.022 56.287 0.036 0.000 0.918 234 K CB 0.406 32.931 32.500 0.042 0.000 1.287 234 K HN 0.117 nan 8.250 nan 0.000 0.502 235 D N 0.035 120.472 120.400 0.062 0.000 2.380 235 D HA 0.098 4.739 4.640 0.001 0.000 0.212 235 D C -0.361 175.937 176.300 -0.003 0.000 1.021 235 D CA 0.543 54.575 54.000 0.053 0.000 0.884 235 D CB 1.329 42.210 40.800 0.134 0.000 1.001 235 D HN -0.072 nan 8.370 nan 0.000 0.506 236 V N 1.721 121.642 119.914 0.011 0.000 2.516 236 V HA 0.211 4.332 4.120 0.001 0.000 0.271 236 V C 0.022 176.123 176.094 0.011 0.000 0.992 236 V CA -0.742 61.555 62.300 -0.006 0.000 0.857 236 V CB 2.142 33.952 31.823 -0.022 0.000 1.047 236 V HN -0.165 nan 8.190 nan 0.000 0.455 237 V N 5.959 125.880 119.914 0.012 0.000 3.385 237 V HA 0.530 4.650 4.120 0.001 0.000 0.301 237 V C -0.123 175.970 176.094 -0.001 0.000 1.082 237 V CA -0.086 62.209 62.300 -0.009 0.000 1.085 237 V CB 1.829 33.630 31.823 -0.038 0.000 1.152 237 V HN 0.682 nan 8.190 nan 0.000 0.465 238 L N 2.896 124.105 121.223 -0.024 0.000 2.342 238 L HA 0.842 5.183 4.340 0.001 0.000 0.271 238 L C -0.282 176.574 176.870 -0.023 0.000 1.008 238 L CA -0.571 54.263 54.840 -0.009 0.000 0.818 238 L CB 1.818 43.871 42.059 -0.010 0.000 1.296 238 L HN 0.772 nan 8.230 nan 0.000 0.427 239 A N 3.858 126.686 122.820 0.013 0.000 2.454 239 A HA 0.958 5.279 4.320 0.001 0.000 0.302 239 A C -0.829 176.777 177.584 0.038 0.000 1.079 239 A CA -0.587 51.459 52.037 0.015 0.000 0.731 239 A CB 2.138 21.172 19.000 0.057 0.000 1.299 239 A HN 0.747 nan 8.150 nan 0.000 0.413 240 M N 0.477 120.086 119.600 0.014 0.000 2.484 240 M HA 0.696 5.177 4.480 0.001 0.000 0.289 240 M C -1.988 174.335 176.300 0.038 0.000 1.206 240 M CA -0.598 54.745 55.300 0.072 0.000 0.892 240 M CB 2.305 34.911 32.600 0.010 0.000 1.712 240 M HN 0.475 nan 8.290 nan 0.000 0.462 241 D N 1.758 122.224 120.400 0.110 0.000 2.414 241 D HA 0.663 5.303 4.640 0.001 0.000 0.232 241 D C 0.268 176.661 176.300 0.154 0.000 1.070 241 D CA -0.166 53.884 54.000 0.083 0.000 0.839 241 D CB 2.110 42.959 40.800 0.082 0.000 1.079 241 D HN 0.750 nan 8.370 nan 0.000 0.521 242 A N 3.711 126.622 122.820 0.151 0.000 1.903 242 A HA 0.402 4.723 4.320 0.001 0.000 0.213 242 A C 1.519 179.354 177.584 0.419 0.000 1.185 242 A CA 1.040 53.343 52.037 0.443 0.000 0.628 242 A CB -0.587 18.668 19.000 0.424 0.000 0.830 242 A HN 1.416 nan 8.150 nan 0.000 0.446 243 A N -0.389 122.538 122.820 0.179 0.000 2.822 243 A HA -0.190 4.130 4.320 0.001 0.000 0.287 243 A C 1.610 179.223 177.584 0.049 0.000 1.479 243 A CA 1.469 53.560 52.037 0.091 0.000 0.779 243 A CB -2.610 16.432 19.000 0.071 0.000 1.022 243 A HN 1.761 nan 8.150 nan 0.000 0.532 244 S N -0.876 114.776 115.700 -0.080 0.000 2.423 244 S HA -0.228 4.242 4.470 0.001 0.000 0.238 244 S C 1.751 176.008 174.600 -0.572 0.000 1.028 244 S CA 1.886 59.634 58.200 -0.754 0.000 1.000 244 S CB -0.710 62.152 63.200 -0.564 0.000 0.797 244 S HN 1.201 nan 8.310 nan 0.000 0.487 245 S N 1.573 117.151 115.700 -0.204 0.000 2.400 245 S HA -0.092 4.378 4.470 0.001 0.000 0.232 245 S C 1.936 176.527 174.600 -0.014 0.000 1.025 245 S CA 1.185 59.331 58.200 -0.089 0.000 0.993 245 S CB -0.381 62.776 63.200 -0.072 0.000 0.808 245 S HN 0.554 nan 8.310 nan 0.000 0.478 246 E N 1.071 121.268 120.200 -0.004 0.000 2.077 246 E HA -0.116 4.235 4.350 0.001 0.000 0.193 246 E C 1.099 177.815 176.600 0.195 0.000 0.989 246 E CA 0.897 57.363 56.400 0.111 0.000 0.800 246 E CB -0.256 29.547 29.700 0.171 0.000 0.746 246 E HN 0.817 nan 8.360 nan 0.000 0.452 247 F N -1.214 118.842 119.950 0.177 0.000 2.925 247 F HA 0.328 4.856 4.527 0.001 0.000 0.302 247 F C -0.248 175.719 175.800 0.277 0.000 1.189 247 F CA -1.257 56.848 58.000 0.176 0.000 1.346 247 F CB -0.626 38.453 39.000 0.131 0.000 0.954 247 F HN -0.234 nan 8.300 nan 0.000 0.506 248 Y N 1.637 121.933 120.300 -0.007 0.000 2.331 248 Y HA 0.323 4.874 4.550 0.001 0.000 0.338 248 Y C 0.139 175.987 175.900 -0.086 0.000 0.992 248 Y CA -1.144 56.893 58.100 -0.104 0.000 1.121 248 Y CB 0.660 39.021 38.460 -0.165 0.000 1.184 248 Y HN 0.185 nan 8.280 nan 0.000 0.469 249 D N 6.376 126.367 120.400 -0.682 0.000 2.349 249 D HA -0.018 4.623 4.640 0.001 0.000 0.266 249 D C 0.558 176.534 176.300 -0.540 0.000 1.293 249 D CA 0.496 54.201 54.000 -0.492 0.000 0.926 249 D CB 0.975 41.520 40.800 -0.425 0.000 1.090 249 D HN 0.802 nan 8.370 nan 0.000 0.502 250 K N 3.023 123.315 120.400 -0.180 0.000 2.020 250 K HA -0.246 4.075 4.320 0.001 0.000 0.212 250 K C 1.549 178.107 176.600 -0.069 0.000 1.050 250 K CA 1.226 57.493 56.287 -0.034 0.000 0.929 250 K CB 0.034 32.545 32.500 0.018 0.000 0.714 250 K HN 0.345 nan 8.250 nan 0.000 0.443 251 E N 1.798 121.943 120.200 -0.092 0.000 1.993 251 E HA -0.124 4.227 4.350 0.001 0.000 0.198 251 E C 0.633 177.170 176.600 -0.105 0.000 0.999 251 E CA 1.443 57.800 56.400 -0.073 0.000 0.850 251 E CB -0.181 29.481 29.700 -0.063 0.000 0.796 251 E HN -0.052 nan 8.360 nan 0.000 0.482 252 K N -0.893 119.418 120.400 -0.149 0.000 2.132 252 K HA 0.301 4.621 4.320 0.001 0.000 0.240 252 K C 0.266 176.703 176.600 -0.272 0.000 1.036 252 K CA 0.605 56.797 56.287 -0.158 0.000 0.888 252 K CB 0.846 33.262 32.500 -0.140 0.000 1.071 252 K HN 0.227 nan 8.250 nan 0.000 0.502 253 G N 1.107 109.784 108.800 -0.204 0.000 3.939 253 G HA2 0.437 4.397 3.960 0.001 0.000 0.268 253 G HA3 0.437 4.397 3.960 0.001 0.000 0.268 253 G C -1.001 173.712 174.900 -0.312 0.000 1.172 253 G CA 0.028 44.996 45.100 -0.220 0.000 1.614 253 G HN 0.437 nan 8.290 nan 0.000 0.639 254 V N -2.915 116.668 119.914 -0.551 0.000 3.130 254 V HA 0.732 4.853 4.120 0.001 0.000 0.310 254 V C -1.435 174.329 176.094 -0.550 0.000 1.158 254 V CA -2.008 60.045 62.300 -0.411 0.000 1.029 254 V CB 1.438 33.166 31.823 -0.158 0.000 1.057 254 V HN 0.150 nan 8.190 nan 0.000 0.436 255 Y N 0.667 121.003 120.300 0.060 0.000 2.331 255 Y HA 0.694 5.245 4.550 0.001 0.000 0.338 255 Y C 0.183 176.205 175.900 0.203 0.000 0.976 255 Y CA -0.839 57.395 58.100 0.223 0.000 1.137 255 Y CB 1.907 40.605 38.460 0.396 0.000 1.172 255 Y HN 0.491 nan 8.280 nan 0.000 0.478 256 V N 5.727 125.841 119.914 0.333 0.000 2.318 256 V HA 0.142 4.263 4.120 0.001 0.000 0.271 256 V C 0.377 176.533 176.094 0.104 0.000 1.030 256 V CA -0.620 61.776 62.300 0.160 0.000 0.844 256 V CB 0.605 32.475 31.823 0.079 0.000 1.015 256 V HN 0.697 nan 8.190 nan 0.000 0.460 257 L N 4.471 125.678 121.223 -0.026 0.000 2.803 257 L HA 0.155 4.495 4.340 0.001 0.000 0.241 257 L C 2.026 178.801 176.870 -0.160 0.000 1.404 257 L CA 0.014 54.724 54.840 -0.216 0.000 1.211 257 L CB -0.723 41.198 42.059 -0.231 0.000 1.585 257 L HN 0.802 nan 8.230 nan 0.000 0.430 258 A N 0.629 123.391 122.820 -0.097 0.000 1.869 258 A HA -0.258 4.063 4.320 0.001 0.000 0.218 258 A C 1.957 179.487 177.584 -0.090 0.000 1.203 258 A CA 2.070 54.067 52.037 -0.067 0.000 0.638 258 A CB -0.280 18.706 19.000 -0.024 0.000 0.831 258 A HN 0.567 nan 8.150 nan 0.000 0.450 259 D N -0.692 119.637 120.400 -0.119 0.000 2.126 259 D HA -0.161 4.480 4.640 0.001 0.000 0.190 259 D C 2.124 178.354 176.300 -0.118 0.000 1.001 259 D CA 1.978 55.907 54.000 -0.117 0.000 0.841 259 D CB -0.361 40.346 40.800 -0.154 0.000 0.949 259 D HN 0.472 nan 8.370 nan 0.000 0.446 260 S N -1.107 114.499 115.700 -0.157 0.000 2.489 260 S HA 0.106 4.576 4.470 0.001 0.000 0.228 260 S C 1.595 176.137 174.600 -0.097 0.000 0.995 260 S CA 1.380 59.506 58.200 -0.123 0.000 0.934 260 S CB -0.014 63.098 63.200 -0.146 0.000 0.771 260 S HN 0.470 nan 8.310 nan 0.000 0.522 261 G N 1.151 109.891 108.800 -0.099 0.000 2.205 261 G HA2 -0.238 3.723 3.960 0.001 0.000 0.261 261 G HA3 -0.238 3.723 3.960 0.001 0.000 0.261 261 G C 0.527 175.377 174.900 -0.083 0.000 0.980 261 G CA 0.556 45.610 45.100 -0.076 0.000 0.632 261 G HN 0.530 nan 8.290 nan 0.000 0.533 262 E N 1.145 121.278 120.200 -0.111 0.000 2.501 262 E HA 0.198 4.549 4.350 0.001 0.000 0.203 262 E C 2.046 178.585 176.600 -0.100 0.000 1.072 262 E CA 1.413 57.738 56.400 -0.126 0.000 0.885 262 E CB -0.728 28.854 29.700 -0.196 0.000 0.813 262 E HN 1.724 nan 8.360 nan 0.000 0.556 263 G N 1.349 110.103 108.800 -0.077 0.000 2.547 263 G HA2 -0.336 3.625 3.960 0.001 0.000 0.271 263 G HA3 -0.336 3.625 3.960 0.001 0.000 0.271 263 G C -0.248 174.635 174.900 -0.029 0.000 1.209 263 G CA 0.047 45.117 45.100 -0.049 0.000 0.959 263 G HN 0.309 nan 8.290 nan 0.000 0.563 264 E N 0.663 120.852 120.200 -0.017 0.000 2.343 264 E HA 0.606 4.957 4.350 0.001 0.000 0.269 264 E C -0.212 176.400 176.600 0.020 0.000 1.047 264 E CA -0.062 56.343 56.400 0.008 0.000 0.874 264 E CB 1.116 30.811 29.700 -0.008 0.000 1.033 264 E HN 0.377 nan 8.360 nan 0.000 0.409 265 K N 0.563 121.011 120.400 0.081 0.000 2.523 265 K HA 0.279 4.599 4.320 0.001 0.000 0.257 265 K C -1.038 175.678 176.600 0.194 0.000 0.932 265 K CA -0.480 55.872 56.287 0.108 0.000 0.812 265 K CB 2.268 34.837 32.500 0.115 0.000 1.326 265 K HN 0.336 nan 8.250 nan 0.000 0.433 266 T N 0.016 114.667 114.554 0.163 0.000 2.902 266 T HA 0.130 4.481 4.350 0.001 0.000 0.283 266 T C 1.189 176.067 174.700 0.296 0.000 1.009 266 T CA -0.027 62.187 62.100 0.190 0.000 1.051 266 T CB 1.190 70.117 68.868 0.098 0.000 0.999 266 T HN 0.642 nan 8.240 nan 0.000 0.474 267 T N 2.413 117.208 114.554 0.401 0.000 2.848 267 T HA -0.162 4.189 4.350 0.001 0.000 0.269 267 T C 0.989 175.816 174.700 0.213 0.000 1.081 267 T CA 2.460 64.825 62.100 0.440 0.000 1.125 267 T CB -0.575 68.552 68.868 0.431 0.000 0.848 267 T HN 0.719 nan 8.240 nan 0.000 0.503 268 D N 0.434 120.930 120.400 0.160 0.000 2.234 268 D HA -0.014 4.626 4.640 0.001 0.000 0.205 268 D C 2.191 178.546 176.300 0.093 0.000 0.962 268 D CA 1.049 55.112 54.000 0.106 0.000 0.855 268 D CB -0.021 40.829 40.800 0.083 0.000 0.951 268 D HN 0.781 nan 8.370 nan 0.000 0.500 269 E N -0.248 120.014 120.200 0.103 0.000 2.389 269 E HA 0.054 4.405 4.350 0.001 0.000 0.199 269 E C 1.586 178.243 176.600 0.095 0.000 0.978 269 E CA -0.050 56.398 56.400 0.081 0.000 0.912 269 E CB -0.061 29.673 29.700 0.057 0.000 0.907 269 E HN 0.050 nan 8.360 nan 0.000 0.494 270 M N 1.199 120.869 119.600 0.116 0.000 2.202 270 M HA -0.071 4.410 4.480 0.001 0.000 0.262 270 M C 2.249 178.579 176.300 0.051 0.000 1.063 270 M CA 1.212 56.547 55.300 0.060 0.000 1.097 270 M CB -0.546 32.063 32.600 0.015 0.000 1.382 270 M HN 0.212 nan 8.290 nan 0.000 0.413 271 I N -0.450 120.196 120.570 0.127 0.000 2.286 271 I HA -0.298 3.873 4.170 0.001 0.000 0.248 271 I C 2.388 178.580 176.117 0.124 0.000 1.115 271 I CA 0.946 62.340 61.300 0.157 0.000 1.392 271 I CB -0.380 37.675 38.000 0.092 0.000 1.065 271 I HN 0.201 nan 8.210 nan 0.000 0.418 272 K N 0.318 120.778 120.400 0.100 0.000 2.057 272 K HA -0.154 4.167 4.320 0.001 0.000 0.206 272 K C 2.071 178.756 176.600 0.141 0.000 1.050 272 K CA 1.300 57.641 56.287 0.090 0.000 0.935 272 K CB -0.584 31.957 32.500 0.068 0.000 0.715 272 K HN 0.182 nan 8.250 nan 0.000 0.439 273 F N 1.266 121.172 119.950 -0.073 0.000 2.102 273 F HA -0.221 4.306 4.527 0.001 0.000 0.298 273 F C 1.960 177.708 175.800 -0.087 0.000 1.105 273 F CA 1.280 59.212 58.000 -0.113 0.000 1.239 273 F CB -0.871 38.007 39.000 -0.204 0.000 0.991 273 F HN -0.021 nan 8.300 nan 0.000 0.474 274 Y N 0.569 120.839 120.300 -0.051 0.000 2.224 274 Y HA -0.162 4.389 4.550 0.001 0.000 0.289 274 Y C 2.617 178.420 175.900 -0.161 0.000 1.146 274 Y CA 1.638 59.602 58.100 -0.228 0.000 1.182 274 Y CB -1.086 37.261 38.460 -0.188 0.000 0.983 274 Y HN 0.234 nan 8.280 nan 0.000 0.524 275 E N 0.082 120.328 120.200 0.076 0.000 2.208 275 E HA -0.196 4.155 4.350 0.001 0.000 0.193 275 E C 2.127 178.718 176.600 -0.015 0.000 0.988 275 E CA 0.873 57.283 56.400 0.016 0.000 0.828 275 E CB 0.065 29.782 29.700 0.029 0.000 0.763 275 E HN 0.602 nan 8.360 nan 0.000 0.478 276 E N 0.344 120.555 120.200 0.019 0.000 2.021 276 E HA -0.166 4.185 4.350 0.001 0.000 0.189 276 E C 2.179 178.727 176.600 -0.087 0.000 0.980 276 E CA 0.667 57.073 56.400 0.010 0.000 0.803 276 E CB -0.114 29.672 29.700 0.143 0.000 0.766 276 E HN 0.248 nan 8.360 nan 0.000 0.449 277 L N 0.925 122.080 121.223 -0.113 0.000 2.021 277 L HA -0.248 4.093 4.340 0.001 0.000 0.215 277 L C 2.618 179.313 176.870 -0.291 0.000 1.074 277 L CA 1.285 55.977 54.840 -0.245 0.000 0.760 277 L CB -0.563 41.270 42.059 -0.377 0.000 0.889 277 L HN 0.154 nan 8.230 nan 0.000 0.433 278 V N -1.030 118.750 119.914 -0.222 0.000 2.867 278 V HA -0.214 3.907 4.120 0.001 0.000 0.260 278 V C 2.393 178.380 176.094 -0.178 0.000 1.099 278 V CA 1.649 63.831 62.300 -0.198 0.000 1.122 278 V CB -0.207 31.523 31.823 -0.156 0.000 0.708 278 V HN 0.384 nan 8.190 nan 0.000 0.490 279 S N 0.556 116.149 115.700 -0.179 0.000 2.348 279 S HA -0.127 4.343 4.470 0.001 0.000 0.219 279 S C 1.992 176.467 174.600 -0.209 0.000 1.033 279 S CA 1.461 59.566 58.200 -0.159 0.000 0.974 279 S CB -0.167 62.956 63.200 -0.127 0.000 0.868 279 S HN 0.789 nan 8.310 nan 0.000 0.459 280 K N 0.241 120.439 120.400 -0.337 0.000 2.044 280 K HA 0.001 4.322 4.320 0.001 0.000 0.204 280 K C -0.011 176.327 176.600 -0.437 0.000 1.049 280 K CA 0.789 56.800 56.287 -0.459 0.000 0.945 280 K CB -0.422 31.642 32.500 -0.727 0.000 0.724 280 K HN 0.303 nan 8.250 nan 0.000 0.440 281 Y N 1.781 121.956 120.300 -0.208 0.000 2.374 281 Y HA 0.272 4.823 4.550 0.001 0.000 0.322 281 Y C -2.088 173.678 175.900 -0.223 0.000 1.275 281 Y CA -3.156 54.800 58.100 -0.240 0.000 1.307 281 Y CB 0.175 38.367 38.460 -0.448 0.000 1.282 281 Y HN 0.047 nan 8.280 nan 0.000 0.509 282 P HA 0.146 nan 4.420 nan 0.000 0.219 282 P C -0.769 176.469 177.300 -0.104 0.000 1.832 282 P CA 0.211 63.277 63.100 -0.058 0.000 1.014 282 P CB -0.381 31.305 31.700 -0.024 0.000 1.939 283 I N 2.799 123.274 120.570 -0.158 0.000 2.363 283 I HA 0.084 4.254 4.170 0.001 0.000 0.292 283 I C 1.648 177.648 176.117 -0.194 0.000 1.075 283 I CA -0.383 60.803 61.300 -0.191 0.000 1.333 283 I CB 0.884 38.729 38.000 -0.259 0.000 1.415 283 I HN 0.106 nan 8.210 nan 0.000 0.502 284 I N 4.658 125.110 120.570 -0.198 0.000 3.265 284 I HA 0.093 4.264 4.170 0.001 0.000 0.282 284 I C 0.828 176.781 176.117 -0.272 0.000 1.207 284 I CA 0.728 61.846 61.300 -0.303 0.000 1.449 284 I CB 0.440 38.183 38.000 -0.428 0.000 1.121 284 I HN 0.534 nan 8.210 nan 0.000 0.442 285 S N 0.270 115.878 115.700 -0.154 0.000 2.575 285 S HA 0.620 5.091 4.470 0.001 0.000 0.278 285 S C -0.993 173.539 174.600 -0.113 0.000 1.139 285 S CA -0.660 57.484 58.200 -0.094 0.000 0.954 285 S CB 0.782 64.003 63.200 0.035 0.000 1.054 285 S HN 0.059 nan 8.310 nan 0.000 0.483 286 I N 3.640 124.116 120.570 -0.156 0.000 2.411 286 I HA 0.405 4.576 4.170 0.001 0.000 0.284 286 I C -0.014 176.004 176.117 -0.164 0.000 1.012 286 I CA -0.490 60.673 61.300 -0.228 0.000 1.119 286 I CB 1.707 39.454 38.000 -0.422 0.000 1.261 286 I HN 0.644 nan 8.210 nan 0.000 0.448 287 E N 6.117 126.254 120.200 -0.105 0.000 2.200 287 E HA 0.108 4.459 4.350 0.001 0.000 0.283 287 E C -0.745 175.833 176.600 -0.037 0.000 1.015 287 E CA -0.399 55.975 56.400 -0.045 0.000 0.819 287 E CB 0.680 30.377 29.700 -0.006 0.000 1.081 287 E HN 0.492 nan 8.360 nan 0.000 0.397 288 D N 3.317 123.732 120.400 0.026 0.000 2.737 288 D HA -0.169 4.471 4.640 0.001 0.000 0.238 288 D C 0.829 177.096 176.300 -0.054 0.000 1.157 288 D CA 0.969 55.019 54.000 0.083 0.000 0.694 288 D CB -1.146 39.657 40.800 0.004 0.000 1.021 288 D HN 0.765 nan 8.370 nan 0.000 0.420 289 G N -0.895 107.757 108.800 -0.245 0.000 2.421 289 G HA2 -0.077 3.884 3.960 0.001 0.000 0.216 289 G HA3 -0.077 3.884 3.960 0.001 0.000 0.216 289 G C 0.778 175.390 174.900 -0.481 0.000 1.171 289 G CA 0.453 45.210 45.100 -0.572 0.000 0.775 289 G HN 0.349 nan 8.290 nan 0.000 0.543 290 L N -0.352 120.369 121.223 -0.836 0.000 2.298 290 L HA 0.401 4.741 4.340 0.001 0.000 0.268 290 L C -0.342 176.369 176.870 -0.266 0.000 1.010 290 L CA -0.997 53.481 54.840 -0.603 0.000 0.812 290 L CB 1.250 42.903 42.059 -0.678 0.000 1.331 290 L HN 0.132 nan 8.230 nan 0.000 0.450 291 D N -0.070 120.281 120.400 -0.081 0.000 2.472 291 D HA -0.066 4.575 4.640 0.001 0.000 0.237 291 D C 1.112 177.282 176.300 -0.216 0.000 1.141 291 D CA 0.229 54.068 54.000 -0.269 0.000 0.875 291 D CB 0.790 41.026 40.800 -0.941 0.000 1.192 291 D HN 0.582 nan 8.370 nan 0.000 0.450 292 E N 2.046 122.117 120.200 -0.214 0.000 2.526 292 E HA -0.229 4.122 4.350 0.001 0.000 0.205 292 E C 0.164 176.597 176.600 -0.277 0.000 1.104 292 E CA 0.699 56.947 56.400 -0.254 0.000 0.899 292 E CB -0.165 29.414 29.700 -0.202 0.000 0.838 292 E HN 0.368 nan 8.360 nan 0.000 0.564 293 N N 0.329 118.899 118.700 -0.217 0.000 2.218 293 N HA -0.065 4.676 4.740 0.001 0.000 0.224 293 N C -0.035 175.535 175.510 0.100 0.000 1.248 293 N CA 0.038 53.087 53.050 -0.001 0.000 0.875 293 N CB 0.284 38.782 38.487 0.018 0.000 1.165 293 N HN 0.055 nan 8.380 nan 0.000 0.485 294 D N 0.741 121.097 120.400 -0.072 0.000 2.911 294 D HA -0.050 4.591 4.640 0.001 0.000 0.233 294 D C 0.767 177.154 176.300 0.145 0.000 1.134 294 D CA -0.192 53.828 54.000 0.034 0.000 1.011 294 D CB -0.405 40.375 40.800 -0.033 0.000 1.174 294 D HN 0.122 nan 8.370 nan 0.000 0.440 295 W N 0.749 122.094 121.300 0.074 0.000 2.301 295 W HA -0.217 4.444 4.660 0.001 0.000 0.325 295 W C 2.126 178.723 176.519 0.130 0.000 1.250 295 W CA 1.286 58.695 57.345 0.106 0.000 1.261 295 W CB -0.519 28.968 29.460 0.045 0.000 1.157 295 W HN 0.198 nan 8.180 nan 0.000 0.473 296 D N -0.760 119.845 120.400 0.341 0.000 2.170 296 D HA -0.205 4.436 4.640 0.001 0.000 0.193 296 D C 2.250 178.658 176.300 0.180 0.000 1.004 296 D CA 2.096 56.228 54.000 0.220 0.000 0.860 296 D CB -1.156 39.740 40.800 0.161 0.000 0.931 296 D HN 0.341 nan 8.370 nan 0.000 0.448 297 G N -0.077 108.818 108.800 0.159 0.000 2.402 297 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 297 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 297 G C 1.516 176.454 174.900 0.064 0.000 1.162 297 G CA 0.093 45.252 45.100 0.098 0.000 0.777 297 G HN 0.148 nan 8.290 nan 0.000 0.539 298 F N 1.507 121.453 119.950 -0.006 0.000 2.126 298 F HA -0.056 4.472 4.527 0.001 0.000 0.299 298 F C 2.627 178.423 175.800 -0.006 0.000 1.096 298 F CA 1.750 59.711 58.000 -0.064 0.000 1.255 298 F CB -0.130 38.759 39.000 -0.186 0.000 0.997 298 F HN 0.092 nan 8.300 nan 0.000 0.479 299 K N 0.960 121.518 120.400 0.264 0.000 2.001 299 K HA -0.262 4.059 4.320 0.001 0.000 0.214 299 K C 2.077 178.756 176.600 0.131 0.000 1.050 299 K CA 2.036 58.439 56.287 0.194 0.000 0.934 299 K CB -0.613 31.998 32.500 0.185 0.000 0.718 299 K HN 0.130 nan 8.250 nan 0.000 0.443 300 K N -0.295 120.169 120.400 0.107 0.000 2.020 300 K HA -0.180 4.141 4.320 0.001 0.000 0.212 300 K C 2.078 178.709 176.600 0.052 0.000 1.050 300 K CA 1.763 58.093 56.287 0.072 0.000 0.929 300 K CB -0.485 32.055 32.500 0.066 0.000 0.714 300 K HN 0.209 nan 8.250 nan 0.000 0.443 301 L N 1.011 122.254 121.223 0.034 0.000 2.081 301 L HA -0.200 4.141 4.340 0.001 0.000 0.212 301 L C 1.921 178.801 176.870 0.017 0.000 1.080 301 L CA 2.026 56.865 54.840 -0.003 0.000 0.754 301 L CB -0.820 41.178 42.059 -0.101 0.000 0.893 301 L HN 0.203 nan 8.230 nan 0.000 0.433 302 T N -0.563 114.030 114.554 0.065 0.000 2.821 302 T HA -0.138 4.213 4.350 0.001 0.000 0.267 302 T C 1.298 176.012 174.700 0.024 0.000 1.046 302 T CA 1.620 63.750 62.100 0.050 0.000 1.139 302 T CB -0.335 68.584 68.868 0.085 0.000 0.871 302 T HN 0.491 nan 8.240 nan 0.000 0.454 303 D N 0.592 121.013 120.400 0.036 0.000 2.091 303 D HA -0.049 4.592 4.640 0.001 0.000 0.199 303 D C 2.062 178.368 176.300 0.010 0.000 0.980 303 D CA 0.648 54.664 54.000 0.026 0.000 0.831 303 D CB -0.429 40.393 40.800 0.036 0.000 0.987 303 D HN 0.159 nan 8.370 nan 0.000 0.460 304 V N -0.191 119.729 119.914 0.011 0.000 2.759 304 V HA -0.066 4.055 4.120 0.001 0.000 0.256 304 V C 1.217 177.302 176.094 -0.015 0.000 1.080 304 V CA 1.411 63.712 62.300 0.002 0.000 1.101 304 V CB 0.156 31.985 31.823 0.010 0.000 0.698 304 V HN 0.144 nan 8.190 nan 0.000 0.477 305 L N -0.415 120.794 121.223 -0.024 0.000 2.953 305 L HA 0.535 4.876 4.340 0.001 0.000 0.258 305 L C 2.146 178.977 176.870 -0.063 0.000 1.100 305 L CA 1.311 56.122 54.840 -0.049 0.000 0.971 305 L CB -0.540 41.481 42.059 -0.062 0.000 1.474 305 L HN 0.225 nan 8.230 nan 0.000 0.540 306 G N 0.107 108.876 108.800 -0.051 0.000 2.780 306 G HA2 -0.198 3.763 3.960 0.001 0.000 0.205 306 G HA3 -0.198 3.763 3.960 0.001 0.000 0.205 306 G C 0.663 175.521 174.900 -0.071 0.000 1.158 306 G CA 1.018 46.077 45.100 -0.067 0.000 0.812 306 G HN 0.614 nan 8.290 nan 0.000 0.521 307 D N -0.537 119.825 120.400 -0.062 0.000 2.433 307 D HA 0.037 4.678 4.640 0.001 0.000 0.211 307 D C 1.467 177.725 176.300 -0.070 0.000 1.114 307 D CA 0.123 54.090 54.000 -0.055 0.000 0.837 307 D CB 0.044 40.824 40.800 -0.035 0.000 0.984 307 D HN 0.589 nan 8.370 nan 0.000 0.505 308 K N -0.313 120.031 120.400 -0.093 0.000 2.608 308 K HA 0.320 4.641 4.320 0.001 0.000 0.209 308 K C -0.541 175.958 176.600 -0.168 0.000 1.369 308 K CA -0.259 55.957 56.287 -0.119 0.000 1.029 308 K CB 1.446 33.887 32.500 -0.099 0.000 1.139 308 K HN -0.090 nan 8.250 nan 0.000 0.623 309 V N 2.140 121.957 119.914 -0.162 0.000 2.668 309 V HA 0.201 4.322 4.120 0.001 0.000 0.304 309 V C -1.042 174.954 176.094 -0.164 0.000 1.071 309 V CA -0.758 61.428 62.300 -0.191 0.000 0.894 309 V CB 1.848 33.571 31.823 -0.167 0.000 1.008 309 V HN 0.318 nan 8.190 nan 0.000 0.425 310 Q N 4.229 123.929 119.800 -0.166 0.000 2.296 310 Q HA 0.490 4.831 4.340 0.001 0.000 0.262 310 Q C -1.320 174.627 176.000 -0.087 0.000 0.981 310 Q CA -0.188 55.565 55.803 -0.082 0.000 0.905 310 Q CB 0.792 29.572 28.738 0.070 0.000 1.186 310 Q HN 0.727 nan 8.270 nan 0.000 0.399 311 L N 5.894 127.063 121.223 -0.090 0.000 2.335 311 L HA 0.360 4.700 4.340 0.001 0.000 0.268 311 L C -0.459 176.386 176.870 -0.042 0.000 1.037 311 L CA -0.806 53.999 54.840 -0.057 0.000 0.895 311 L CB 1.395 43.445 42.059 -0.014 0.000 1.266 311 L HN 0.476 nan 8.230 nan 0.000 0.439 312 V N 2.019 121.917 119.914 -0.026 0.000 2.465 312 V HA 0.751 4.872 4.120 0.001 0.000 0.279 312 V C 0.459 176.530 176.094 -0.039 0.000 1.045 312 V CA -0.048 62.251 62.300 -0.003 0.000 0.938 312 V CB 1.445 33.275 31.823 0.013 0.000 0.986 312 V HN 0.644 nan 8.190 nan 0.000 0.467 313 G N 4.167 112.928 108.800 -0.066 0.000 2.347 313 G HA2 0.395 4.356 3.960 0.001 0.000 0.314 313 G HA3 0.395 4.356 3.960 0.001 0.000 0.314 313 G C -0.055 174.761 174.900 -0.139 0.000 1.126 313 G CA -0.031 44.877 45.100 -0.321 0.000 0.929 313 G HN 0.868 nan 8.290 nan 0.000 0.441 314 D N 1.735 122.058 120.400 -0.128 0.000 2.454 314 D HA -0.074 4.567 4.640 0.001 0.000 0.247 314 D C 1.622 177.866 176.300 -0.094 0.000 1.143 314 D CA 0.510 54.479 54.000 -0.052 0.000 0.972 314 D CB 0.297 41.081 40.800 -0.026 0.000 1.070 314 D HN 0.257 nan 8.370 nan 0.000 0.433 315 D N 0.746 121.073 120.400 -0.122 0.000 2.178 315 D HA -0.129 4.511 4.640 0.001 0.000 0.201 315 D C 2.233 178.384 176.300 -0.249 0.000 0.980 315 D CA 0.177 54.097 54.000 -0.133 0.000 0.842 315 D CB -0.178 40.554 40.800 -0.112 0.000 0.948 315 D HN 0.245 nan 8.370 nan 0.000 0.472 316 L N -0.315 120.640 121.223 -0.447 0.000 1.990 316 L HA -0.251 4.089 4.340 0.001 0.000 0.213 316 L C 1.791 178.226 176.870 -0.724 0.000 1.072 316 L CA 1.632 55.969 54.840 -0.839 0.000 0.755 316 L CB -0.065 41.129 42.059 -1.441 0.000 0.889 316 L HN -0.043 nan 8.230 nan 0.000 0.432 317 F N -2.377 117.456 119.950 -0.195 0.000 2.694 317 F HA 0.188 4.715 4.527 0.001 0.000 0.292 317 F C 1.237 177.030 175.800 -0.013 0.000 1.121 317 F CA 0.071 58.027 58.000 -0.074 0.000 1.352 317 F CB -0.221 38.743 39.000 -0.059 0.000 1.107 317 F HN -0.247 nan 8.300 nan 0.000 0.597 318 V N 2.384 122.368 119.914 0.117 0.000 5.726 318 V HA -0.371 3.749 4.120 0.001 0.000 0.260 318 V C 0.572 176.743 176.094 0.128 0.000 0.657 318 V CA 1.160 63.519 62.300 0.098 0.000 0.584 318 V CB -2.152 29.723 31.823 0.086 0.000 0.241 318 V HN 0.727 nan 8.190 nan 0.000 0.652 319 T N 0.440 115.069 114.554 0.125 0.000 3.866 319 T HA -0.315 4.036 4.350 0.001 0.000 0.344 319 T C 0.208 174.959 174.700 0.085 0.000 0.760 319 T CA 1.589 63.740 62.100 0.084 0.000 1.852 319 T CB -1.245 67.655 68.868 0.053 0.000 1.891 319 T HN 1.352 nan 8.240 nan 0.000 0.783 320 N N 0.605 119.386 118.700 0.135 0.000 2.439 320 N HA 0.353 5.093 4.740 0.001 0.000 0.249 320 N C 1.112 176.669 175.510 0.078 0.000 1.003 320 N CA 0.332 53.465 53.050 0.138 0.000 0.942 320 N CB 1.278 39.925 38.487 0.268 0.000 1.115 320 N HN 0.098 nan 8.380 nan 0.000 0.505 321 T N 1.866 116.434 114.554 0.023 0.000 2.822 321 T HA -0.243 4.108 4.350 0.001 0.000 0.270 321 T C 1.438 176.127 174.700 -0.019 0.000 1.064 321 T CA 2.001 64.085 62.100 -0.028 0.000 1.131 321 T CB -0.033 68.818 68.868 -0.027 0.000 0.858 321 T HN 0.663 nan 8.240 nan 0.000 0.483 322 Q N 0.486 120.308 119.800 0.037 0.000 2.062 322 Q HA 0.043 4.384 4.340 0.001 0.000 0.196 322 Q C 2.384 178.451 176.000 0.112 0.000 0.967 322 Q CA 1.506 57.342 55.803 0.054 0.000 0.832 322 Q CB -0.249 28.527 28.738 0.064 0.000 0.899 322 Q HN 0.241 nan 8.270 nan 0.000 0.442 323 K N 0.474 121.009 120.400 0.224 0.000 2.032 323 K HA -0.135 4.186 4.320 0.001 0.000 0.209 323 K C 2.126 178.926 176.600 0.334 0.000 1.048 323 K CA 1.220 57.730 56.287 0.371 0.000 0.927 323 K CB -0.760 32.024 32.500 0.472 0.000 0.712 323 K HN 0.372 nan 8.250 nan 0.000 0.441 324 L N 1.450 122.682 121.223 0.015 0.000 1.963 324 L HA -0.325 4.015 4.340 0.001 0.000 0.220 324 L C 2.625 179.309 176.870 -0.309 0.000 1.076 324 L CA 2.408 56.928 54.840 -0.533 0.000 0.772 324 L CB -0.753 40.995 42.059 -0.520 0.000 0.892 324 L HN 0.315 nan 8.230 nan 0.000 0.435 325 S N -0.569 115.023 115.700 -0.180 0.000 2.381 325 S HA -0.324 4.147 4.470 0.001 0.000 0.230 325 S C 1.595 176.167 174.600 -0.047 0.000 1.052 325 S CA 1.944 60.066 58.200 -0.129 0.000 1.068 325 S CB -0.901 62.251 63.200 -0.080 0.000 0.918 325 S HN 0.617 nan 8.310 nan 0.000 0.448 326 E N 1.469 121.685 120.200 0.027 0.000 2.038 326 E HA -0.091 4.260 4.350 0.001 0.000 0.195 326 E C 2.465 179.181 176.600 0.194 0.000 1.000 326 E CA 1.043 57.468 56.400 0.040 0.000 0.803 326 E CB -0.934 28.734 29.700 -0.052 0.000 0.750 326 E HN 0.733 nan 8.360 nan 0.000 0.448 327 G N 1.434 110.510 108.800 0.460 0.000 2.442 327 G HA2 -0.240 3.720 3.960 0.001 0.000 0.219 327 G HA3 -0.240 3.720 3.960 0.001 0.000 0.219 327 G C 1.611 176.689 174.900 0.296 0.000 1.141 327 G CA 0.656 46.142 45.100 0.642 0.000 0.763 327 G HN 0.128 nan 8.290 nan 0.000 0.554 328 I N 0.241 120.828 120.570 0.028 0.000 2.315 328 I HA -0.126 4.045 4.170 0.001 0.000 0.248 328 I C 2.747 178.899 176.117 0.058 0.000 1.117 328 I CA 1.046 62.312 61.300 -0.058 0.000 1.404 328 I CB -0.243 37.598 38.000 -0.266 0.000 1.071 328 I HN 0.257 nan 8.210 nan 0.000 0.419 329 E N 1.034 121.264 120.200 0.050 0.000 2.031 329 E HA -0.242 4.109 4.350 0.001 0.000 0.193 329 E C 2.060 178.715 176.600 0.092 0.000 0.994 329 E CA 1.302 57.733 56.400 0.051 0.000 0.800 329 E CB -0.016 29.697 29.700 0.023 0.000 0.752 329 E HN 0.278 nan 8.360 nan 0.000 0.447 330 K N -0.415 120.065 120.400 0.135 0.000 2.362 330 K HA -0.013 4.308 4.320 0.001 0.000 0.200 330 K C 0.845 177.555 176.600 0.184 0.000 1.046 330 K CA 0.731 57.116 56.287 0.164 0.000 0.952 330 K CB -0.137 32.505 32.500 0.235 0.000 0.753 330 K HN 0.298 nan 8.250 nan 0.000 0.466 331 G N 1.774 110.700 108.800 0.210 0.000 2.324 331 G HA2 -0.205 3.756 3.960 0.001 0.000 0.292 331 G HA3 -0.205 3.756 3.960 0.001 0.000 0.292 331 G C 0.169 175.198 174.900 0.215 0.000 1.079 331 G CA 0.407 45.636 45.100 0.215 0.000 1.026 331 G HN 0.324 nan 8.290 nan 0.000 0.506 332 I N -2.832 117.900 120.570 0.270 0.000 3.856 332 I HA 0.826 4.997 4.170 0.001 0.000 0.333 332 I C 0.830 177.010 176.117 0.105 0.000 1.525 332 I CA -0.861 60.562 61.300 0.205 0.000 1.173 332 I CB -0.156 37.970 38.000 0.211 0.000 1.175 332 I HN 1.284 nan 8.210 nan 0.000 0.424 333 A N 1.815 124.709 122.820 0.122 0.000 2.375 333 A HA 0.636 4.957 4.320 0.001 0.000 0.299 333 A C -0.912 176.377 177.584 -0.492 0.000 1.044 333 A CA -0.038 51.975 52.037 -0.039 0.000 0.585 333 A CB -0.043 19.026 19.000 0.115 0.000 1.438 333 A HN 0.378 nan 8.150 nan 0.000 0.574 334 N N -1.074 117.191 118.700 -0.725 0.000 2.127 334 N HA 0.431 5.171 4.740 0.001 0.000 0.229 334 N C -0.655 174.450 175.510 -0.674 0.000 1.374 334 N CA 0.679 53.008 53.050 -1.202 0.000 0.763 334 N CB 0.904 39.055 38.487 -0.560 0.000 1.269 334 N HN 1.181 nan 8.380 nan 0.000 0.516 335 S N -0.074 115.472 115.700 -0.256 0.000 2.558 335 S HA 0.628 5.098 4.470 0.001 0.000 0.277 335 S C -2.198 172.515 174.600 0.188 0.000 1.143 335 S CA -0.836 57.373 58.200 0.015 0.000 0.865 335 S CB 0.858 64.027 63.200 -0.051 0.000 1.102 335 S HN 0.318 nan 8.310 nan 0.000 0.454 336 I N 4.098 124.763 120.570 0.158 0.000 2.619 336 I HA 0.528 4.699 4.170 0.001 0.000 0.292 336 I C -1.407 174.764 176.117 0.089 0.000 1.100 336 I CA -1.088 60.321 61.300 0.181 0.000 1.043 336 I CB 1.335 39.388 38.000 0.088 0.000 1.239 336 I HN 0.683 nan 8.210 nan 0.000 0.420 337 L N 7.212 128.491 121.223 0.093 0.000 2.380 337 L HA 0.338 4.679 4.340 0.001 0.000 0.273 337 L C -0.499 176.394 176.870 0.038 0.000 1.138 337 L CA -0.519 54.350 54.840 0.050 0.000 0.832 337 L CB 1.093 43.179 42.059 0.046 0.000 1.124 337 L HN 0.468 nan 8.230 nan 0.000 0.454 338 I N 4.680 125.257 120.570 0.012 0.000 2.328 338 I HA 0.235 4.406 4.170 0.001 0.000 0.287 338 I C -0.069 176.051 176.117 0.004 0.000 1.012 338 I CA -0.355 60.943 61.300 -0.002 0.000 1.195 338 I CB 1.137 39.114 38.000 -0.038 0.000 1.350 338 I HN 0.501 nan 8.210 nan 0.000 0.464 339 K N 6.105 126.513 120.400 0.012 0.000 2.404 339 K HA 0.270 4.590 4.320 0.001 0.000 0.257 339 K C 1.330 177.937 176.600 0.012 0.000 1.026 339 K CA -0.342 55.951 56.287 0.010 0.000 0.951 339 K CB 2.205 34.710 32.500 0.008 0.000 1.203 339 K HN 0.450 nan 8.250 nan 0.000 0.446 340 V N 1.205 121.126 119.914 0.012 0.000 2.222 340 V HA -0.444 3.676 4.120 0.001 0.000 0.252 340 V C 1.730 177.833 176.094 0.015 0.000 1.060 340 V CA 2.520 64.833 62.300 0.021 0.000 1.027 340 V CB -1.146 30.692 31.823 0.026 0.000 0.644 340 V HN 0.915 nan 8.190 nan 0.000 0.448 341 N N 0.165 118.868 118.700 0.006 0.000 2.520 341 N HA -0.227 4.514 4.740 0.001 0.000 0.185 341 N C 1.914 177.427 175.510 0.006 0.000 1.068 341 N CA 1.312 54.362 53.050 0.000 0.000 0.911 341 N CB -0.401 38.081 38.487 -0.009 0.000 0.961 341 N HN 0.758 nan 8.380 nan 0.000 0.446 342 Q N -0.495 119.312 119.800 0.012 0.000 2.311 342 Q HA 0.015 4.355 4.340 0.001 0.000 0.203 342 Q C 1.412 177.429 176.000 0.028 0.000 0.954 342 Q CA 0.729 56.546 55.803 0.023 0.000 0.885 342 Q CB 0.137 28.893 28.738 0.029 0.000 0.963 342 Q HN 0.522 nan 8.270 nan 0.000 0.471 343 I N -1.888 118.695 120.570 0.023 0.000 3.616 343 I HA 0.264 4.435 4.170 0.001 0.000 0.296 343 I C 1.241 177.365 176.117 0.012 0.000 1.226 343 I CA 1.431 62.744 61.300 0.022 0.000 1.394 343 I CB 0.812 38.826 38.000 0.024 0.000 1.171 343 I HN 0.288 nan 8.210 nan 0.000 0.442 344 G N 0.124 108.929 108.800 0.009 0.000 2.313 344 G HA2 -0.210 3.751 3.960 0.001 0.000 0.215 344 G HA3 -0.210 3.751 3.960 0.001 0.000 0.215 344 G C 0.577 175.474 174.900 -0.004 0.000 1.023 344 G CA 0.329 45.429 45.100 -0.001 0.000 0.626 344 G HN 0.736 nan 8.290 nan 0.000 0.503 345 T N -1.622 112.934 114.554 0.004 0.000 2.896 345 T HA 0.718 5.069 4.350 0.001 0.000 0.297 345 T C 1.200 175.915 174.700 0.025 0.000 1.108 345 T CA -0.152 61.947 62.100 -0.002 0.000 1.004 345 T CB 1.951 70.808 68.868 -0.019 0.000 1.159 345 T HN 0.261 nan 8.240 nan 0.000 0.499 346 L N 0.550 121.780 121.223 0.012 0.000 2.093 346 L HA -0.067 4.274 4.340 0.001 0.000 0.208 346 L C 2.876 179.780 176.870 0.057 0.000 1.085 346 L CA 1.443 56.311 54.840 0.047 0.000 0.755 346 L CB -0.813 41.213 42.059 -0.054 0.000 0.904 346 L HN 0.851 nan 8.230 nan 0.000 0.435 347 T N -0.642 113.899 114.554 -0.022 0.000 2.643 347 T HA -0.204 4.147 4.350 0.001 0.000 0.264 347 T C 1.698 176.433 174.700 0.058 0.000 1.045 347 T CA 1.430 63.520 62.100 -0.017 0.000 1.155 347 T CB -0.185 68.654 68.868 -0.048 0.000 0.863 347 T HN 0.373 nan 8.240 nan 0.000 0.420 348 E N 0.422 120.644 120.200 0.038 0.000 2.160 348 E HA -0.121 4.230 4.350 0.001 0.000 0.195 348 E C 2.396 179.034 176.600 0.063 0.000 0.991 348 E CA 1.314 57.736 56.400 0.037 0.000 0.810 348 E CB -0.224 29.486 29.700 0.017 0.000 0.742 348 E HN 0.376 nan 8.360 nan 0.000 0.466 349 T N 0.506 115.124 114.554 0.107 0.000 2.674 349 T HA -0.131 4.220 4.350 0.001 0.000 0.265 349 T C 1.381 176.149 174.700 0.114 0.000 1.039 349 T CA 1.029 63.196 62.100 0.112 0.000 1.150 349 T CB -0.304 68.665 68.868 0.168 0.000 0.864 349 T HN 0.087 nan 8.240 nan 0.000 0.427 350 F N 1.626 121.553 119.950 -0.038 0.000 2.293 350 F HA 0.034 4.562 4.527 0.001 0.000 0.300 350 F C 2.372 178.145 175.800 -0.045 0.000 1.086 350 F CA 0.502 58.477 58.000 -0.043 0.000 1.375 350 F CB -0.466 38.504 39.000 -0.051 0.000 1.045 350 F HN 0.281 nan 8.300 nan 0.000 0.516 351 E N -0.310 119.962 120.200 0.120 0.000 2.107 351 E HA -0.123 4.227 4.350 0.001 0.000 0.191 351 E C 2.437 179.030 176.600 -0.012 0.000 0.982 351 E CA 0.878 57.302 56.400 0.040 0.000 0.809 351 E CB -0.246 29.468 29.700 0.025 0.000 0.756 351 E HN 0.324 nan 8.360 nan 0.000 0.459 352 A N 1.156 123.964 122.820 -0.021 0.000 1.898 352 A HA -0.155 4.166 4.320 0.001 0.000 0.216 352 A C 2.136 179.669 177.584 -0.086 0.000 1.181 352 A CA 0.986 52.987 52.037 -0.059 0.000 0.620 352 A CB -0.517 18.456 19.000 -0.047 0.000 0.819 352 A HN 0.136 nan 8.150 nan 0.000 0.442 353 I N -0.761 119.748 120.570 -0.101 0.000 2.252 353 I HA -0.224 3.947 4.170 0.001 0.000 0.245 353 I C 2.534 178.594 176.117 -0.096 0.000 1.102 353 I CA 1.762 62.985 61.300 -0.129 0.000 1.385 353 I CB -0.320 37.534 38.000 -0.244 0.000 1.064 353 I HN 0.532 nan 8.210 nan 0.000 0.414 354 E N 1.129 121.282 120.200 -0.079 0.000 2.152 354 E HA -0.241 4.109 4.350 0.001 0.000 0.192 354 E C 2.331 178.897 176.600 -0.057 0.000 0.983 354 E CA 0.838 57.205 56.400 -0.056 0.000 0.818 354 E CB 0.011 29.695 29.700 -0.026 0.000 0.758 354 E HN 0.384 nan 8.360 nan 0.000 0.467 355 M N -0.120 119.436 119.600 -0.073 0.000 2.254 355 M HA -0.053 4.427 4.480 0.001 0.000 0.265 355 M C 2.053 178.274 176.300 -0.132 0.000 1.066 355 M CA 1.392 56.632 55.300 -0.099 0.000 1.123 355 M CB 0.043 32.573 32.600 -0.117 0.000 1.388 355 M HN 0.229 nan 8.290 nan 0.000 0.425 356 A N 0.818 123.567 122.820 -0.118 0.000 1.854 356 A HA -0.147 4.173 4.320 0.001 0.000 0.214 356 A C 2.054 179.660 177.584 0.035 0.000 1.192 356 A CA 1.625 53.604 52.037 -0.096 0.000 0.611 356 A CB -0.549 18.432 19.000 -0.033 0.000 0.832 356 A HN 0.504 nan 8.150 nan 0.000 0.442 357 K N -0.179 120.248 120.400 0.045 0.000 2.074 357 K HA -0.213 4.107 4.320 0.001 0.000 0.209 357 K C 1.824 178.449 176.600 0.042 0.000 1.048 357 K CA 1.874 58.205 56.287 0.073 0.000 0.926 357 K CB -0.238 32.247 32.500 -0.025 0.000 0.713 357 K HN 0.617 nan 8.250 nan 0.000 0.444 358 E N -0.209 119.987 120.200 -0.006 0.000 2.338 358 E HA -0.114 4.236 4.350 0.001 0.000 0.197 358 E C 1.361 177.967 176.600 0.010 0.000 1.007 358 E CA 0.694 57.087 56.400 -0.012 0.000 0.849 358 E CB 0.108 29.787 29.700 -0.035 0.000 0.774 358 E HN 0.309 nan 8.360 nan 0.000 0.506 359 A N -0.089 122.742 122.820 0.018 0.000 2.308 359 A HA 0.370 4.690 4.320 0.001 0.000 0.217 359 A C 1.568 179.306 177.584 0.257 0.000 1.216 359 A CA 0.525 52.592 52.037 0.050 0.000 0.864 359 A CB 0.019 18.904 19.000 -0.192 0.000 0.902 359 A HN 0.264 nan 8.150 nan 0.000 0.499 360 G N -1.889 107.068 108.800 0.263 0.000 2.136 360 G HA2 -0.281 3.680 3.960 0.001 0.000 0.242 360 G HA3 -0.281 3.680 3.960 0.001 0.000 0.242 360 G C -0.101 175.010 174.900 0.351 0.000 0.989 360 G CA 0.438 45.731 45.100 0.322 0.000 0.682 360 G HN 0.370 nan 8.290 nan 0.000 0.522 361 Y N 0.369 120.723 120.300 0.090 0.000 2.374 361 Y HA 0.668 5.219 4.550 0.001 0.000 0.322 361 Y C 1.217 177.092 175.900 -0.042 0.000 1.275 361 Y CA -0.377 57.716 58.100 -0.012 0.000 1.307 361 Y CB 1.336 39.769 38.460 -0.046 0.000 1.282 361 Y HN 0.039 nan 8.280 nan 0.000 0.509 362 T N 1.688 116.219 114.554 -0.039 0.000 2.867 362 T HA 0.662 5.013 4.350 0.001 0.000 0.282 362 T C -0.743 173.946 174.700 -0.017 0.000 1.000 362 T CA -0.633 61.376 62.100 -0.151 0.000 1.042 362 T CB 0.705 69.381 68.868 -0.319 0.000 0.973 362 T HN 0.657 nan 8.240 nan 0.000 0.465 363 A N 2.990 125.801 122.820 -0.016 0.000 2.316 363 A HA 0.589 4.910 4.320 0.001 0.000 0.324 363 A C -0.255 177.293 177.584 -0.060 0.000 1.375 363 A CA -0.586 51.433 52.037 -0.030 0.000 0.882 363 A CB 0.247 19.218 19.000 -0.048 0.000 1.152 363 A HN 0.668 nan 8.150 nan 0.000 0.512 364 V N 4.132 124.020 119.914 -0.044 0.000 2.322 364 V HA 0.134 4.255 4.120 0.001 0.000 0.258 364 V C 0.633 176.709 176.094 -0.030 0.000 1.074 364 V CA -0.435 61.837 62.300 -0.046 0.000 0.909 364 V CB 0.893 32.701 31.823 -0.025 0.000 1.090 364 V HN 0.697 nan 8.190 nan 0.000 0.486 365 V N 6.515 126.399 119.914 -0.050 0.000 2.479 365 V HA 0.453 4.573 4.120 0.001 0.000 0.281 365 V C 0.608 176.699 176.094 -0.005 0.000 1.031 365 V CA 0.584 62.860 62.300 -0.040 0.000 1.038 365 V CB 1.138 32.920 31.823 -0.069 0.000 0.981 365 V HN 1.018 nan 8.190 nan 0.000 0.478 366 S N 6.193 121.910 115.700 0.029 0.000 2.689 366 S HA 0.643 5.114 4.470 0.001 0.000 0.306 366 S C -0.142 174.535 174.600 0.129 0.000 1.104 366 S CA -0.632 57.629 58.200 0.102 0.000 0.973 366 S CB 1.649 64.928 63.200 0.132 0.000 1.121 366 S HN 1.106 nan 8.310 nan 0.000 0.523 367 H N 0.606 119.651 119.070 -0.042 0.000 2.294 367 H HA 0.746 5.303 4.556 0.001 0.000 0.318 367 H C -0.369 174.944 175.328 -0.025 0.000 1.644 367 H CA -0.517 55.502 56.048 -0.049 0.000 1.466 367 H CB 0.055 29.773 29.762 -0.073 0.000 1.735 367 H HN 0.668 nan 8.280 nan 0.000 0.676 368 R N -1.260 119.081 120.500 -0.265 0.000 2.698 368 R HA 0.219 4.560 4.340 0.001 0.000 0.275 368 R C 1.104 177.242 176.300 -0.270 0.000 1.001 368 R CA 0.053 55.982 56.100 -0.285 0.000 0.896 368 R CB 1.527 31.759 30.300 -0.114 0.000 1.218 368 R HN 0.769 nan 8.270 nan 0.000 0.462 369 S N 1.166 116.737 115.700 -0.216 0.000 2.378 369 S HA -0.125 4.346 4.470 0.001 0.000 0.229 369 S C 0.686 175.238 174.600 -0.080 0.000 1.052 369 S CA 1.854 59.975 58.200 -0.132 0.000 1.084 369 S CB -0.480 62.665 63.200 -0.091 0.000 0.950 369 S HN 0.696 nan 8.310 nan 0.000 0.440 370 G N 1.975 110.735 108.800 -0.067 0.000 2.377 370 G HA2 0.531 4.492 3.960 0.001 0.000 0.316 370 G HA3 0.531 4.492 3.960 0.001 0.000 0.316 370 G C -0.529 174.348 174.900 -0.038 0.000 1.115 370 G CA -0.475 44.598 45.100 -0.045 0.000 0.952 370 G HN 0.314 nan 8.290 nan 0.000 0.441 371 E N 0.337 120.523 120.200 -0.022 0.000 2.469 371 E HA 0.709 5.060 4.350 0.001 0.000 0.246 371 E C 0.371 176.963 176.600 -0.013 0.000 0.969 371 E CA -0.411 55.981 56.400 -0.013 0.000 0.881 371 E CB 2.064 31.768 29.700 0.007 0.000 1.320 371 E HN 0.604 nan 8.360 nan 0.000 0.421 372 T N -3.392 111.156 114.554 -0.011 0.000 2.696 372 T HA 0.212 4.563 4.350 0.001 0.000 0.291 372 T C 0.673 175.368 174.700 -0.007 0.000 1.095 372 T CA -0.682 61.413 62.100 -0.009 0.000 1.026 372 T CB 0.863 69.724 68.868 -0.011 0.000 1.390 372 T HN 0.447 nan 8.240 nan 0.000 0.513 373 E N 0.166 120.366 120.200 -0.001 0.000 2.478 373 E HA -0.078 4.272 4.350 0.001 0.000 0.198 373 E C 0.155 176.754 176.600 -0.002 0.000 1.046 373 E CA 0.081 56.482 56.400 0.001 0.000 0.870 373 E CB -0.161 29.546 29.700 0.012 0.000 0.818 373 E HN 0.676 nan 8.360 nan 0.000 0.527 374 D N 2.223 122.620 120.400 -0.004 0.000 2.455 374 D HA -0.041 4.599 4.640 0.001 0.000 0.241 374 D C 0.149 176.441 176.300 -0.014 0.000 1.138 374 D CA 0.519 54.515 54.000 -0.006 0.000 0.877 374 D CB 0.961 41.756 40.800 -0.009 0.000 1.187 374 D HN 0.154 nan 8.370 nan 0.000 0.451 375 S N 1.266 116.960 115.700 -0.010 0.000 2.741 375 S HA -0.007 4.463 4.470 0.001 0.000 0.247 375 S C 1.361 175.956 174.600 -0.009 0.000 1.050 375 S CA -0.251 57.936 58.200 -0.022 0.000 1.025 375 S CB 0.611 63.797 63.200 -0.023 0.000 0.897 375 S HN 0.500 nan 8.310 nan 0.000 0.508 376 T N 2.844 117.400 114.554 0.004 0.000 2.759 376 T HA -0.120 4.231 4.350 0.001 0.000 0.269 376 T C 1.749 176.466 174.700 0.029 0.000 1.042 376 T CA 1.827 63.943 62.100 0.025 0.000 1.140 376 T CB -0.909 67.975 68.868 0.027 0.000 0.864 376 T HN 0.746 nan 8.240 nan 0.000 0.455 377 I N -0.565 120.009 120.570 0.007 0.000 2.700 377 I HA -0.051 4.119 4.170 0.001 0.000 0.261 377 I C 2.307 178.404 176.117 -0.033 0.000 1.219 377 I CA 1.197 62.494 61.300 -0.006 0.000 1.463 377 I CB -0.543 37.447 38.000 -0.017 0.000 1.092 377 I HN 0.096 nan 8.210 nan 0.000 0.452 378 S N 1.611 117.284 115.700 -0.044 0.000 2.355 378 S HA -0.164 4.306 4.470 0.001 0.000 0.222 378 S C 1.407 175.972 174.600 -0.059 0.000 1.031 378 S CA 1.935 60.086 58.200 -0.081 0.000 0.993 378 S CB -0.393 62.754 63.200 -0.087 0.000 0.859 378 S HN 0.571 nan 8.310 nan 0.000 0.453 379 D N 1.274 121.683 120.400 0.015 0.000 2.178 379 D HA 0.008 4.648 4.640 0.001 0.000 0.202 379 D C 1.701 178.060 176.300 0.097 0.000 0.974 379 D CA 0.686 54.741 54.000 0.093 0.000 0.841 379 D CB -0.191 40.711 40.800 0.170 0.000 0.953 379 D HN 0.323 nan 8.370 nan 0.000 0.478 380 I N 0.803 121.420 120.570 0.078 0.000 2.226 380 I HA -0.264 3.906 4.170 0.001 0.000 0.245 380 I C 2.408 178.477 176.117 -0.079 0.000 1.100 380 I CA 0.851 62.188 61.300 0.061 0.000 1.374 380 I CB -0.272 37.745 38.000 0.029 0.000 1.057 380 I HN 0.012 nan 8.210 nan 0.000 0.413 381 A N 0.476 123.241 122.820 -0.091 0.000 1.902 381 A HA -0.150 4.170 4.320 0.001 0.000 0.217 381 A C 2.394 179.900 177.584 -0.129 0.000 1.181 381 A CA 1.862 53.823 52.037 -0.126 0.000 0.623 381 A CB -0.864 18.060 19.000 -0.126 0.000 0.818 381 A HN 0.258 nan 8.150 nan 0.000 0.443 382 V N -0.411 119.427 119.914 -0.126 0.000 2.488 382 V HA -0.121 3.999 4.120 0.001 0.000 0.246 382 V C 2.996 179.050 176.094 -0.068 0.000 1.046 382 V CA 1.529 63.737 62.300 -0.154 0.000 1.053 382 V CB -1.147 30.500 31.823 -0.293 0.000 0.679 382 V HN 0.594 nan 8.190 nan 0.000 0.458 383 A N 0.961 123.799 122.820 0.031 0.000 1.940 383 A HA -0.221 4.100 4.320 0.001 0.000 0.219 383 A C 2.313 179.925 177.584 0.046 0.000 1.176 383 A CA 2.498 54.609 52.037 0.124 0.000 0.631 383 A CB -0.739 18.424 19.000 0.272 0.000 0.814 383 A HN 0.636 nan 8.150 nan 0.000 0.446 384 T N -4.535 109.975 114.554 -0.074 0.000 3.069 384 T HA 0.183 4.533 4.350 0.001 0.000 0.252 384 T C 0.452 175.078 174.700 -0.123 0.000 1.053 384 T CA 0.440 62.456 62.100 -0.141 0.000 0.964 384 T CB -0.660 68.022 68.868 -0.311 0.000 1.005 384 T HN 0.599 nan 8.240 nan 0.000 0.532 385 N N 0.719 119.353 118.700 -0.110 0.000 2.735 385 N HA -0.230 4.511 4.740 0.001 0.000 0.248 385 N C 1.188 176.640 175.510 -0.097 0.000 1.083 385 N CA 0.068 53.052 53.050 -0.109 0.000 0.703 385 N CB -1.035 37.386 38.487 -0.110 0.000 1.005 385 N HN 0.609 nan 8.380 nan 0.000 0.550 386 A N 0.228 122.985 122.820 -0.105 0.000 1.873 386 A HA 0.068 4.389 4.320 0.001 0.000 0.218 386 A C 2.194 179.745 177.584 -0.055 0.000 1.193 386 A CA 2.599 54.590 52.037 -0.077 0.000 0.629 386 A CB -0.622 18.311 19.000 -0.112 0.000 0.826 386 A HN 1.242 nan 8.150 nan 0.000 0.447 387 G N -2.948 105.786 108.800 -0.111 0.000 2.213 387 G HA2 -0.167 3.793 3.960 0.001 0.000 0.226 387 G HA3 -0.167 3.793 3.960 0.001 0.000 0.226 387 G C 0.088 174.849 174.900 -0.232 0.000 0.992 387 G CA 0.439 45.442 45.100 -0.161 0.000 0.632 387 G HN 0.787 nan 8.290 nan 0.000 0.511 388 Q N -0.822 118.864 119.800 -0.189 0.000 2.462 388 Q HA 0.800 5.141 4.340 0.001 0.000 0.285 388 Q C -1.269 174.675 176.000 -0.094 0.000 1.035 388 Q CA -0.683 55.016 55.803 -0.172 0.000 0.799 388 Q CB 3.063 31.653 28.738 -0.246 0.000 1.452 388 Q HN 0.536 nan 8.270 nan 0.000 0.404 389 I N 0.448 120.995 120.570 -0.039 0.000 2.787 389 I HA 0.358 4.529 4.170 0.001 0.000 0.294 389 I C -1.975 174.152 176.117 0.017 0.000 1.365 389 I CA -0.391 60.900 61.300 -0.016 0.000 1.029 389 I CB 1.894 39.885 38.000 -0.015 0.000 1.313 389 I HN 0.524 nan 8.210 nan 0.000 0.431 390 K N 4.788 125.191 120.400 0.005 0.000 2.624 390 K HA 0.311 4.632 4.320 0.001 0.000 0.200 390 K C -0.651 175.879 176.600 -0.116 0.000 1.036 390 K CA -0.208 56.079 56.287 0.001 0.000 1.029 390 K CB 1.107 33.650 32.500 0.072 0.000 1.317 390 K HN 0.654 nan 8.250 nan 0.000 0.555 391 T N 1.549 115.921 114.554 -0.303 0.000 3.266 391 T HA 0.386 4.736 4.350 0.001 0.000 0.278 391 T C 0.173 174.328 174.700 -0.908 0.000 1.010 391 T CA 0.472 62.213 62.100 -0.598 0.000 0.909 391 T CB 0.011 68.625 68.868 -0.424 0.000 1.122 391 T HN 0.880 nan 8.240 nan 0.000 0.536 392 G N 0.571 108.842 108.800 -0.882 0.000 2.422 392 G HA2 0.067 4.027 3.960 0.001 0.000 0.607 392 G HA3 0.067 4.027 3.960 0.001 0.000 0.607 392 G C -0.245 174.587 174.900 -0.113 0.000 1.270 392 G CA -0.212 44.604 45.100 -0.474 0.000 0.992 392 G HN 0.410 nan 8.290 nan 0.000 0.499 393 S N -1.965 113.661 115.700 -0.124 0.000 2.566 393 S HA 0.694 5.164 4.470 0.001 0.000 0.277 393 S C 0.633 175.047 174.600 -0.309 0.000 1.150 393 S CA 0.008 58.067 58.200 -0.236 0.000 1.032 393 S CB 0.590 63.598 63.200 -0.320 0.000 1.157 393 S HN 1.029 nan 8.310 nan 0.000 0.507 394 L N 1.456 122.165 121.223 -0.857 0.000 3.141 394 L HA 0.510 4.851 4.340 0.001 0.000 0.263 394 L C 0.030 176.446 176.870 -0.756 0.000 1.312 394 L CA 0.213 54.592 54.840 -0.769 0.000 1.012 394 L CB 0.315 41.868 42.059 -0.842 0.000 1.408 394 L HN 0.328 nan 8.230 nan 0.000 0.559 395 S N 0.165 115.568 115.700 -0.495 0.000 2.595 395 S HA 0.808 5.279 4.470 0.001 0.000 0.281 395 S C -1.002 173.546 174.600 -0.086 0.000 1.117 395 S CA -0.629 57.465 58.200 -0.176 0.000 0.873 395 S CB 1.180 64.355 63.200 -0.041 0.000 1.108 395 S HN 0.344 nan 8.310 nan 0.000 0.477 396 R N 1.348 121.839 120.500 -0.016 0.000 1.558 396 R HA -0.117 4.224 4.340 0.001 0.000 0.397 396 R C 0.785 177.077 176.300 -0.012 0.000 1.289 396 R CA 0.626 56.723 56.100 -0.004 0.000 1.129 396 R CB -1.920 28.378 30.300 -0.003 0.000 3.317 396 R HN 0.855 nan 8.270 nan 0.000 0.487 397 T N 1.338 115.895 114.554 0.005 0.000 2.751 397 T HA -0.240 4.111 4.350 0.001 0.000 0.268 397 T C 1.334 176.026 174.700 -0.012 0.000 1.045 397 T CA 1.943 64.046 62.100 0.005 0.000 1.142 397 T CB -0.269 68.609 68.868 0.016 0.000 0.851 397 T HN 0.724 nan 8.240 nan 0.000 0.474 398 D N 0.637 121.030 120.400 -0.012 0.000 2.309 398 D HA -0.101 4.540 4.640 0.001 0.000 0.212 398 D C 2.026 178.298 176.300 -0.046 0.000 0.968 398 D CA 0.810 54.800 54.000 -0.017 0.000 0.882 398 D CB -0.064 40.736 40.800 -0.000 0.000 0.918 398 D HN 0.283 nan 8.370 nan 0.000 0.503 399 R N -0.112 120.345 120.500 -0.071 0.000 2.098 399 R HA 0.242 4.583 4.340 0.001 0.000 0.203 399 R C 2.390 178.569 176.300 -0.202 0.000 1.166 399 R CA -0.204 55.796 56.100 -0.167 0.000 1.090 399 R CB -0.606 29.614 30.300 -0.133 0.000 0.992 399 R HN 0.022 nan 8.270 nan 0.000 0.477 400 I N 1.476 122.023 120.570 -0.038 0.000 2.248 400 I HA -0.235 3.936 4.170 0.001 0.000 0.248 400 I C 2.113 178.253 176.117 0.038 0.000 1.107 400 I CA 1.747 63.094 61.300 0.077 0.000 1.373 400 I CB -1.254 36.785 38.000 0.065 0.000 1.055 400 I HN 0.147 nan 8.210 nan 0.000 0.418 401 A N 0.977 123.788 122.820 -0.016 0.000 1.892 401 A HA -0.266 4.054 4.320 0.001 0.000 0.218 401 A C 2.303 179.864 177.584 -0.037 0.000 1.188 401 A CA 2.026 54.057 52.037 -0.011 0.000 0.631 401 A CB -0.516 18.474 19.000 -0.017 0.000 0.822 401 A HN 0.258 nan 8.150 nan 0.000 0.447 402 K N -0.843 119.479 120.400 -0.131 0.000 2.063 402 K HA -0.123 4.197 4.320 0.001 0.000 0.208 402 K C 1.697 178.229 176.600 -0.114 0.000 1.048 402 K CA 1.870 58.048 56.287 -0.181 0.000 0.928 402 K CB -0.645 31.659 32.500 -0.328 0.000 0.713 402 K HN 0.734 nan 8.250 nan 0.000 0.442 403 Y N 0.554 120.873 120.300 0.032 0.000 2.200 403 Y HA -0.169 4.382 4.550 0.001 0.000 0.290 403 Y C 1.913 177.894 175.900 0.134 0.000 1.137 403 Y CA 1.026 59.207 58.100 0.135 0.000 1.163 403 Y CB -0.208 38.329 38.460 0.128 0.000 0.988 403 Y HN 0.227 nan 8.280 nan 0.000 0.518 404 N N -0.240 118.589 118.700 0.215 0.000 2.188 404 N HA -0.229 4.511 4.740 0.001 0.000 0.184 404 N C 1.810 177.376 175.510 0.093 0.000 1.018 404 N CA 0.830 53.967 53.050 0.144 0.000 0.858 404 N CB -0.141 38.403 38.487 0.095 0.000 0.989 404 N HN 0.228 nan 8.380 nan 0.000 0.426 405 Q N 1.243 121.073 119.800 0.050 0.000 2.050 405 Q HA -0.085 4.255 4.340 0.001 0.000 0.202 405 Q C 1.776 177.755 176.000 -0.035 0.000 0.980 405 Q CA 1.351 57.160 55.803 0.011 0.000 0.840 405 Q CB -0.339 28.393 28.738 -0.009 0.000 0.898 405 Q HN 0.212 nan 8.270 nan 0.000 0.424 406 L N -0.115 121.051 121.223 -0.096 0.000 2.079 406 L HA -0.143 4.197 4.340 0.001 0.000 0.210 406 L C 2.265 179.036 176.870 -0.164 0.000 1.081 406 L CA 1.459 56.111 54.840 -0.312 0.000 0.752 406 L CB -0.905 40.684 42.059 -0.785 0.000 0.896 406 L HN 0.301 nan 8.230 nan 0.000 0.433 407 L N -1.399 119.877 121.223 0.087 0.000 1.989 407 L HA -0.274 4.066 4.340 0.001 0.000 0.211 407 L C 2.760 179.667 176.870 0.063 0.000 1.071 407 L CA 1.284 56.222 54.840 0.164 0.000 0.749 407 L CB -0.396 41.766 42.059 0.172 0.000 0.890 407 L HN 0.179 nan 8.230 nan 0.000 0.431 408 R N 0.050 120.576 120.500 0.044 0.000 2.091 408 R HA -0.161 4.180 4.340 0.001 0.000 0.238 408 R C 2.222 178.533 176.300 0.017 0.000 1.136 408 R CA 1.523 57.646 56.100 0.039 0.000 0.959 408 R CB -0.272 30.058 30.300 0.049 0.000 0.856 408 R HN 0.289 nan 8.270 nan 0.000 0.437 409 I N -0.043 120.500 120.570 -0.046 0.000 2.142 409 I HA -0.284 3.886 4.170 0.001 0.000 0.240 409 I C 2.422 178.437 176.117 -0.169 0.000 1.078 409 I CA 1.489 62.694 61.300 -0.159 0.000 1.343 409 I CB -0.358 37.419 38.000 -0.372 0.000 1.046 409 I HN 0.332 nan 8.210 nan 0.000 0.405 410 E N 0.941 121.065 120.200 -0.127 0.000 2.058 410 E HA -0.327 4.024 4.350 0.001 0.000 0.194 410 E C 1.812 178.405 176.600 -0.012 0.000 0.997 410 E CA 1.986 58.348 56.400 -0.063 0.000 0.801 410 E CB -0.031 29.680 29.700 0.019 0.000 0.746 410 E HN 0.347 nan 8.360 nan 0.000 0.450 411 D N 0.193 120.601 120.400 0.014 0.000 2.106 411 D HA -0.245 4.396 4.640 0.001 0.000 0.191 411 D C 1.985 178.310 176.300 0.040 0.000 0.997 411 D CA 1.555 55.574 54.000 0.032 0.000 0.834 411 D CB -0.221 40.603 40.800 0.040 0.000 0.956 411 D HN 0.206 nan 8.370 nan 0.000 0.448 412 Q N -0.644 119.187 119.800 0.051 0.000 2.135 412 Q HA -0.137 4.203 4.340 0.001 0.000 0.204 412 Q C 2.484 178.542 176.000 0.095 0.000 0.981 412 Q CA 1.015 56.873 55.803 0.091 0.000 0.856 412 Q CB -0.109 28.721 28.738 0.153 0.000 0.902 412 Q HN 0.382 nan 8.270 nan 0.000 0.425 413 L N -0.932 120.319 121.223 0.047 0.000 2.093 413 L HA -0.105 4.236 4.340 0.001 0.000 0.208 413 L C 1.680 178.585 176.870 0.057 0.000 1.085 413 L CA 0.827 55.695 54.840 0.047 0.000 0.755 413 L CB -0.775 41.262 42.059 -0.037 0.000 0.904 413 L HN 0.578 nan 8.230 nan 0.000 0.435 414 G N 0.831 109.657 108.800 0.043 0.000 2.543 414 G HA2 -0.400 3.561 3.960 0.001 0.000 0.286 414 G HA3 -0.400 3.561 3.960 0.001 0.000 0.286 414 G C 0.813 175.738 174.900 0.042 0.000 1.153 414 G CA 0.397 45.524 45.100 0.044 0.000 0.968 414 G HN 0.455 nan 8.290 nan 0.000 0.544 415 E N 1.511 121.739 120.200 0.046 0.000 2.482 415 E HA 0.043 4.393 4.350 0.001 0.000 0.196 415 E C 2.303 178.932 176.600 0.047 0.000 1.047 415 E CA 2.053 58.480 56.400 0.044 0.000 0.869 415 E CB -0.077 29.648 29.700 0.042 0.000 0.836 415 E HN 1.398 nan 8.360 nan 0.000 0.520 416 V N -2.337 117.609 119.914 0.054 0.000 3.660 416 V HA 0.483 4.604 4.120 0.001 0.000 0.276 416 V C 1.223 177.342 176.094 0.040 0.000 1.317 416 V CA -0.079 62.255 62.300 0.057 0.000 1.097 416 V CB -0.184 31.688 31.823 0.082 0.000 0.863 416 V HN 0.253 nan 8.190 nan 0.000 0.438 417 A N 1.051 123.889 122.820 0.030 0.000 2.507 417 A HA 0.480 4.801 4.320 0.001 0.000 0.235 417 A C 0.230 177.835 177.584 0.035 0.000 1.070 417 A CA 0.284 52.328 52.037 0.012 0.000 0.768 417 A CB -0.045 18.960 19.000 0.009 0.000 1.011 417 A HN 0.729 nan 8.150 nan 0.000 0.502 418 E N -0.877 119.345 120.200 0.037 0.000 2.356 418 E HA 0.431 4.782 4.350 0.001 0.000 0.275 418 E C -2.044 174.631 176.600 0.125 0.000 0.904 418 E CA -0.399 56.041 56.400 0.067 0.000 0.757 418 E CB 2.286 32.001 29.700 0.025 0.000 1.232 418 E HN 0.605 nan 8.360 nan 0.000 0.442 419 Y N 1.902 122.210 120.300 0.013 0.000 2.322 419 Y HA 0.275 4.826 4.550 0.001 0.000 0.324 419 Y C 0.135 176.049 175.900 0.022 0.000 1.027 419 Y CA -0.425 57.692 58.100 0.028 0.000 1.179 419 Y CB 1.015 39.511 38.460 0.060 0.000 1.136 419 Y HN 0.430 nan 8.280 nan 0.000 0.449 420 K N 4.069 124.270 120.400 -0.332 0.000 2.418 420 K HA 0.177 4.497 4.320 0.001 0.000 0.195 420 K C 1.476 177.932 176.600 -0.240 0.000 1.035 420 K CA 0.578 56.737 56.287 -0.213 0.000 1.003 420 K CB 0.035 32.440 32.500 -0.157 0.000 0.793 420 K HN 1.017 nan 8.250 nan 0.000 0.494 421 G N 2.122 110.584 108.800 -0.564 0.000 2.672 421 G HA2 -0.400 3.560 3.960 0.001 0.000 0.324 421 G HA3 -0.400 3.560 3.960 0.001 0.000 0.324 421 G C 0.814 175.692 174.900 -0.036 0.000 1.286 421 G CA 0.543 45.520 45.100 -0.205 0.000 1.004 421 G HN 0.229 nan 8.290 nan 0.000 0.548 422 L N 0.608 121.889 121.223 0.098 0.000 2.079 422 L HA -0.044 4.297 4.340 0.001 0.000 0.210 422 L C 2.746 179.754 176.870 0.229 0.000 1.081 422 L CA 2.072 57.040 54.840 0.213 0.000 0.752 422 L CB -0.348 41.780 42.059 0.115 0.000 0.896 422 L HN 0.534 nan 8.230 nan 0.000 0.433 423 K N -0.767 119.688 120.400 0.093 0.000 2.616 423 K HA -0.039 4.282 4.320 0.001 0.000 0.192 423 K C 1.776 178.401 176.600 0.042 0.000 1.031 423 K CA 0.292 56.623 56.287 0.075 0.000 1.004 423 K CB 0.039 32.563 32.500 0.041 0.000 0.810 423 K HN 0.187 nan 8.250 nan 0.000 0.497 424 S N 0.322 115.992 115.700 -0.051 0.000 2.496 424 S HA 0.050 4.521 4.470 0.001 0.000 0.224 424 S C 0.369 174.816 174.600 -0.255 0.000 0.996 424 S CA 0.353 58.440 58.200 -0.187 0.000 0.927 424 S CB 0.032 62.989 63.200 -0.406 0.000 0.774 424 S HN 0.206 nan 8.310 nan 0.000 0.524 425 F N 2.700 122.593 119.950 -0.095 0.000 2.705 425 F HA 0.186 4.714 4.527 0.001 0.000 0.355 425 F C 1.097 176.801 175.800 -0.160 0.000 1.172 425 F CA -1.055 56.832 58.000 -0.188 0.000 1.332 425 F CB -1.066 37.850 39.000 -0.141 0.000 1.621 425 F HN 0.327 nan 8.300 nan 0.000 0.605 426 Y N -0.793 119.531 120.300 0.040 0.000 2.651 426 Y HA -0.170 4.381 4.550 0.001 0.000 0.296 426 Y C 1.719 177.637 175.900 0.030 0.000 1.150 426 Y CA 0.633 58.748 58.100 0.024 0.000 1.348 426 Y CB -0.974 37.479 38.460 -0.012 0.000 0.983 426 Y HN 0.302 nan 8.280 nan 0.000 0.555 427 N N 1.137 119.676 118.700 -0.267 0.000 2.412 427 N HA 0.012 4.752 4.740 0.001 0.000 0.184 427 N C -0.310 175.158 175.510 -0.071 0.000 1.101 427 N CA 0.236 53.184 53.050 -0.170 0.000 0.881 427 N CB -0.159 38.135 38.487 -0.322 0.000 0.969 427 N HN 0.451 nan 8.380 nan 0.000 0.459 428 L N 0.890 122.100 121.223 -0.023 0.000 2.287 428 L HA 0.329 4.670 4.340 0.001 0.000 0.287 428 L C 1.079 177.942 176.870 -0.011 0.000 1.022 428 L CA -0.788 54.031 54.840 -0.035 0.000 0.814 428 L CB 1.842 43.859 42.059 -0.071 0.000 1.217 428 L HN -0.213 nan 8.230 nan 0.000 0.420 429 K N 2.408 122.797 120.400 -0.018 0.000 2.002 429 K HA -0.038 4.283 4.320 0.001 0.000 0.209 429 K C 0.793 177.385 176.600 -0.013 0.000 1.048 429 K CA 1.078 57.361 56.287 -0.006 0.000 0.930 429 K CB -0.034 32.460 32.500 -0.010 0.000 0.714 429 K HN 0.642 nan 8.250 nan 0.000 0.438 430 A N 1.241 124.041 122.820 -0.034 0.000 2.621 430 A HA 0.554 4.874 4.320 0.001 0.000 0.329 430 A C -0.010 177.539 177.584 -0.058 0.000 1.458 430 A CA 0.273 52.286 52.037 -0.040 0.000 1.052 430 A CB -0.451 18.521 19.000 -0.047 0.000 1.142 430 A HN 0.401 nan 8.150 nan 0.000 0.523 431 A N 0.000 122.797 122.820 -0.038 0.000 2.254 431 A HA 0.000 4.321 4.320 0.001 0.000 0.244 431 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 431 A CB 0.000 18.961 19.000 -0.064 0.000 0.831 431 A HN 0.000 nan 8.150 nan 0.000 0.486