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 2vbc_1_A DATA FIRST_RESID 19 DATA SEQUENCE SEGVYRIMQR GLFGKTQVGV GIHMEGVFHT MWHVTRGSVI CHETGRLEPS DATA SEQUENCE WADVRNDMIS YGGGWRLGDK WDKEEDVQVL AIEPGKNPKH VQTKPGLFKT DATA SEQUENCE LTGEIGAVTL DFKPGTSGSP IINKKGKVIG LYGNGVVTKS GDYVSAITQA DATA SEQUENCE ERIGEPDYEV DEDIFRKKRL TIMDLHPGAG KTKRILPSIV REALKRRLRT DATA SEQUENCE LILAPTRVVA AEMEEALRGL PIRYQTPAVK SDHTGREIVD LMCHATFTTR DATA SEQUENCE LLSSTRVPNY NLIVMDEAHF TDPCSVAARG YISTRVEMGE AAAIFMTATP DATA SEQUENCE PGSTDPFPQS NSPIEDIERE IPERSWNTGF DWITDYQGKT VWFVPSIKAG DATA SEQUENCE NDIANCLRKS GKRVIQLSRK TFDTEYPKTK LTDWDFVVTT DISEMGANFR DATA SEQUENCE AGRVIDPRRC LKPVILTDGP ERVILAGPIP VTPASAAQRR GRIGRNPAQE DATA SEQUENCE DDQYVFSGDP LKNDEDHAHW TEAKMLLDNI YTPEGIIPTL FGPEREKTQA DATA SEQUENCE IDGEFRLRGE QRKTFVELMR RGDLPVWLSY KVASAGISYK DREWCFTGER DATA SEQUENCE NNQILEENME VEIWTREGEK KKLRPKWLDA RVYADPMALK DFKEFASGRK 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.678 174.600 0.130 0.000 1.055 19 S CA 0.000 58.207 58.200 0.012 0.000 1.107 19 S CB 0.000 63.244 63.200 0.073 0.000 0.593 20 E N 1.462 121.806 120.200 0.239 0.000 2.404 20 E HA 0.544 4.897 4.350 0.005 0.000 0.261 20 E C 0.822 177.567 176.600 0.240 0.000 1.074 20 E CA 0.615 57.200 56.400 0.308 0.000 0.917 20 E CB 0.815 30.633 29.700 0.197 0.000 0.965 20 E HN 0.996 nan 8.360 nan 0.000 0.433 21 G N 0.249 109.203 108.800 0.255 0.000 2.366 21 G HA2 0.052 4.015 3.960 0.005 0.000 0.190 21 G HA3 0.052 4.015 3.960 0.005 0.000 0.190 21 G C -1.381 173.598 174.900 0.131 0.000 1.299 21 G CA -0.603 44.564 45.100 0.111 0.000 1.056 21 G HN 0.433 nan 8.290 nan 0.000 0.468 22 V N 0.348 120.225 119.914 -0.062 0.000 2.680 22 V HA 0.809 4.932 4.120 0.005 0.000 0.309 22 V C -1.218 174.753 176.094 -0.204 0.000 1.052 22 V CA -0.600 61.695 62.300 -0.008 0.000 0.908 22 V CB 1.553 33.349 31.823 -0.046 0.000 1.001 22 V HN 0.696 nan 8.190 nan 0.000 0.431 23 Y N 1.946 122.316 120.300 0.117 0.000 2.457 23 Y HA 0.596 5.156 4.550 0.017 0.000 0.343 23 Y C 0.355 176.311 175.900 0.094 0.000 0.994 23 Y CA -0.863 57.300 58.100 0.105 0.000 1.031 23 Y CB 2.012 40.557 38.460 0.142 0.000 1.246 23 Y HN 0.488 nan 8.280 nan 0.000 0.449 24 R N 2.990 123.591 120.500 0.169 0.000 2.490 24 R HA 0.509 4.852 4.340 0.005 0.000 0.278 24 R C -0.995 175.370 176.300 0.108 0.000 1.069 24 R CA -0.661 55.502 56.100 0.105 0.000 1.080 24 R CB 0.762 31.090 30.300 0.046 0.000 1.030 24 R HN 0.443 nan 8.270 nan 0.000 0.491 25 I N 4.198 124.813 120.570 0.075 0.000 2.388 25 I HA 0.227 4.400 4.170 0.005 0.000 0.281 25 I C -0.266 175.854 176.117 0.006 0.000 1.046 25 I CA -0.424 60.897 61.300 0.036 0.000 1.187 25 I CB 0.762 38.789 38.000 0.045 0.000 1.351 25 I HN 0.447 nan 8.210 nan 0.000 0.472 26 M N 5.113 124.710 119.600 -0.005 0.000 2.277 26 M HA 0.441 4.924 4.480 0.005 0.000 0.350 26 M C -0.177 176.099 176.300 -0.041 0.000 1.180 26 M CA -0.255 55.039 55.300 -0.010 0.000 1.103 26 M CB 1.593 34.200 32.600 0.011 0.000 1.577 26 M HN 0.514 nan 8.290 nan 0.000 0.459 27 Q N 1.301 121.068 119.800 -0.056 0.000 2.356 27 Q HA 0.796 5.139 4.340 0.005 0.000 0.270 27 Q C -1.106 174.798 176.000 -0.160 0.000 1.058 27 Q CA -0.366 55.375 55.803 -0.104 0.000 0.802 27 Q CB 2.334 31.018 28.738 -0.089 0.000 1.303 27 Q HN 0.941 nan 8.270 nan 0.000 0.444 28 R N 0.580 120.904 120.500 -0.294 0.000 2.829 28 R HA 0.811 5.154 4.340 0.005 0.000 0.267 28 R C -0.345 175.568 176.300 -0.645 0.000 1.051 28 R CA -0.114 55.672 56.100 -0.523 0.000 0.927 28 R CB 0.506 30.300 30.300 -0.843 0.000 1.292 28 R HN 1.409 nan 8.270 nan 0.000 0.445 29 G N -1.511 106.800 108.800 -0.815 0.000 2.788 29 G HA2 0.453 4.416 3.960 0.005 0.000 0.301 29 G HA3 0.453 4.416 3.960 0.005 0.000 0.301 29 G C -0.014 174.772 174.900 -0.191 0.000 1.000 29 G CA 0.079 44.886 45.100 -0.488 0.000 1.267 29 G HN 2.126 nan 8.290 nan 0.000 0.578 30 L N 2.057 123.228 121.223 -0.088 0.000 2.417 30 L HA 0.852 5.195 4.340 0.005 0.000 0.268 30 L C 0.975 177.833 176.870 -0.019 0.000 1.158 30 L CA -0.730 54.116 54.840 0.011 0.000 0.819 30 L CB -0.222 41.885 42.059 0.080 0.000 1.112 30 L HN 0.616 nan 8.230 nan 0.000 0.458 31 F N 3.431 123.377 119.950 -0.006 0.000 2.506 31 F HA 0.547 5.074 4.527 -0.000 0.000 0.371 31 F C 1.211 177.008 175.800 -0.005 0.000 1.078 31 F CA 0.897 58.893 58.000 -0.006 0.000 1.195 31 F CB 0.059 39.054 39.000 -0.007 0.000 1.099 31 F HN 1.277 nan 8.300 nan 0.000 0.548 32 G N 2.260 111.129 108.800 0.115 0.000 2.443 32 G HA2 -0.103 3.860 3.960 0.005 0.000 0.209 32 G HA3 -0.103 3.860 3.960 0.005 0.000 0.209 32 G C -0.222 174.712 174.900 0.056 0.000 1.176 32 G CA -0.519 44.597 45.100 0.027 0.000 1.074 32 G HN 0.834 nan 8.290 nan 0.000 0.577 33 K N -0.049 120.359 120.400 0.013 0.000 5.910 33 K HA -0.011 4.312 4.320 0.005 0.000 0.496 33 K C -0.200 176.415 176.600 0.025 0.000 1.222 33 K CA 1.367 57.681 56.287 0.047 0.000 1.422 33 K CB -1.785 30.795 32.500 0.134 0.000 1.780 33 K HN 1.855 nan 8.250 nan 0.000 0.384 34 T N 0.357 114.912 114.554 0.001 0.000 2.909 34 T HA 0.311 4.664 4.350 0.005 0.000 0.299 34 T C -0.579 174.122 174.700 0.002 0.000 1.073 34 T CA -1.015 61.088 62.100 0.005 0.000 0.999 34 T CB 1.839 70.708 68.868 0.001 0.000 1.098 34 T HN 0.418 nan 8.240 nan 0.000 0.477 35 Q N 1.515 121.322 119.800 0.011 0.000 2.295 35 Q HA 0.410 4.753 4.340 0.005 0.000 0.259 35 Q C 0.395 176.405 176.000 0.016 0.000 0.976 35 Q CA -0.544 55.268 55.803 0.014 0.000 0.923 35 Q CB 0.850 29.599 28.738 0.019 0.000 1.185 35 Q HN 0.674 nan 8.270 nan 0.000 0.410 36 V N 2.636 122.554 119.914 0.007 0.000 2.825 36 V HA 0.354 4.477 4.120 0.005 0.000 0.246 36 V C 0.886 176.985 176.094 0.008 0.000 1.068 36 V CA 0.863 63.164 62.300 0.002 0.000 1.088 36 V CB 0.022 31.827 31.823 -0.031 0.000 0.733 36 V HN 0.872 nan 8.190 nan 0.000 0.468 37 G N -0.869 107.939 108.800 0.014 0.000 2.428 37 G HA2 0.503 4.465 3.960 0.005 0.000 0.305 37 G HA3 0.503 4.465 3.960 0.005 0.000 0.305 37 G C -2.026 172.907 174.900 0.054 0.000 1.260 37 G CA -0.098 45.019 45.100 0.027 0.000 0.853 37 G HN -0.049 nan 8.290 nan 0.000 0.480 38 V N -0.255 119.700 119.914 0.067 0.000 2.789 38 V HA 0.896 5.019 4.120 0.005 0.000 0.311 38 V C 0.519 176.666 176.094 0.089 0.000 1.073 38 V CA 0.236 62.590 62.300 0.091 0.000 0.921 38 V CB 1.821 33.673 31.823 0.048 0.000 1.009 38 V HN 1.538 nan 8.190 nan 0.000 0.426 39 G N 3.194 112.077 108.800 0.138 0.000 2.605 39 G HA2 0.758 4.721 3.960 0.005 0.000 0.296 39 G HA3 0.758 4.721 3.960 0.005 0.000 0.296 39 G C -1.630 173.206 174.900 -0.107 0.000 1.304 39 G CA -0.573 44.419 45.100 -0.180 0.000 0.941 39 G HN 0.393 nan 8.290 nan 0.000 0.475 40 I N 0.982 121.340 120.570 -0.354 0.000 2.389 40 I HA 0.262 4.435 4.170 0.005 0.000 0.288 40 I C -0.659 175.442 176.117 -0.027 0.000 0.999 40 I CA -0.973 60.312 61.300 -0.024 0.000 1.129 40 I CB 1.344 39.354 38.000 0.017 0.000 1.288 40 I HN 0.622 nan 8.210 nan 0.000 0.444 41 H N 7.398 126.593 119.070 0.208 0.000 2.604 41 H HA 0.534 5.093 4.556 0.004 0.000 0.306 41 H C -0.823 174.580 175.328 0.126 0.000 1.075 41 H CA -0.152 55.983 56.048 0.146 0.000 1.357 41 H CB 0.822 30.684 29.762 0.168 0.000 1.426 41 H HN 0.341 nan 8.280 nan 0.000 0.470 42 M N 4.258 123.776 119.600 -0.138 0.000 2.327 42 M HA 0.194 4.676 4.480 0.005 0.000 0.298 42 M C 0.631 176.866 176.300 -0.108 0.000 1.065 42 M CA -0.303 54.993 55.300 -0.008 0.000 0.916 42 M CB 1.769 34.389 32.600 0.035 0.000 1.630 42 M HN 1.004 nan 8.290 nan 0.000 0.442 43 E N 2.014 122.204 120.200 -0.017 0.000 3.673 43 E HA -0.280 4.073 4.350 0.005 0.000 0.332 43 E C 0.669 177.272 176.600 0.006 0.000 1.360 43 E CA 2.043 58.441 56.400 -0.003 0.000 1.757 43 E CB -1.160 28.526 29.700 -0.023 0.000 1.646 43 E HN 0.977 nan 8.360 nan 0.000 0.353 44 G N 0.404 109.144 108.800 -0.100 0.000 3.829 44 G HA2 0.466 4.428 3.960 0.005 0.000 0.279 44 G HA3 0.466 4.428 3.960 0.005 0.000 0.279 44 G C -0.507 174.245 174.900 -0.246 0.000 1.008 44 G CA 0.262 45.345 45.100 -0.029 0.000 0.840 44 G HN 0.159 nan 8.290 nan 0.000 0.474 45 V N 0.634 120.186 119.914 -0.604 0.000 2.823 45 V HA 0.618 4.741 4.120 0.005 0.000 0.312 45 V C -1.378 174.143 176.094 -0.955 0.000 1.072 45 V CA -1.071 60.906 62.300 -0.539 0.000 0.937 45 V CB 2.270 33.920 31.823 -0.289 0.000 1.013 45 V HN 0.174 nan 8.190 nan 0.000 0.430 46 F N 3.356 122.862 119.950 -0.740 0.000 2.427 46 F HA 0.675 5.214 4.527 0.019 0.000 0.346 46 F C -0.174 175.248 175.800 -0.631 0.000 1.120 46 F CA -0.307 57.344 58.000 -0.581 0.000 1.033 46 F CB 0.889 39.787 39.000 -0.170 0.000 1.126 46 F HN 0.604 nan 8.300 nan 0.000 0.462 47 H N 3.043 121.613 119.070 -0.834 0.000 2.646 47 H HA 0.543 5.106 4.556 0.012 0.000 0.328 47 H C -0.133 174.832 175.328 -0.605 0.000 0.998 47 H CA -0.713 54.880 56.048 -0.758 0.000 1.225 47 H CB 1.784 30.830 29.762 -1.195 0.000 1.457 47 H HN 0.635 nan 8.280 nan 0.000 0.505 48 T N 1.738 116.236 114.554 -0.093 0.000 2.696 48 T HA 0.368 4.720 4.350 0.005 0.000 0.291 48 T C -0.582 174.290 174.700 0.287 0.000 1.095 48 T CA -0.966 61.151 62.100 0.027 0.000 1.026 48 T CB 0.802 69.635 68.868 -0.059 0.000 1.390 48 T HN 0.351 nan 8.240 nan 0.000 0.513 49 M N 2.012 121.726 119.600 0.190 0.000 2.243 49 M HA 0.155 4.637 4.480 0.005 0.000 0.341 49 M C 1.269 177.699 176.300 0.216 0.000 1.130 49 M CA -0.499 54.926 55.300 0.209 0.000 1.162 49 M CB 0.107 32.740 32.600 0.055 0.000 1.497 49 M HN 0.844 nan 8.290 nan 0.000 0.456 50 W N 4.714 126.106 121.300 0.153 0.000 2.381 50 W HA -0.193 4.469 4.660 0.002 0.000 0.301 50 W C 1.914 178.499 176.519 0.110 0.000 1.205 50 W CA 2.210 59.633 57.345 0.131 0.000 1.285 50 W CB -0.410 29.110 29.460 0.101 0.000 1.133 50 W HN 0.878 nan 8.180 nan 0.000 0.521 51 H N 0.032 119.032 119.070 -0.117 0.000 2.521 51 H HA -0.071 4.490 4.556 0.007 0.000 0.286 51 H C 2.021 177.232 175.328 -0.196 0.000 1.034 51 H CA 1.379 57.286 56.048 -0.235 0.000 1.278 51 H CB -0.929 28.835 29.762 0.004 0.000 1.386 51 H HN 0.093 nan 8.280 nan 0.000 0.567 52 V N 1.706 121.286 119.914 -0.555 0.000 2.302 52 V HA -0.197 3.926 4.120 0.005 0.000 0.243 52 V C 2.973 178.945 176.094 -0.202 0.000 1.036 52 V CA 2.369 64.454 62.300 -0.358 0.000 1.020 52 V CB -0.422 31.234 31.823 -0.279 0.000 0.657 52 V HN 0.715 nan 8.190 nan 0.000 0.453 53 T N -2.884 111.565 114.554 -0.175 0.000 2.983 53 T HA -0.004 4.349 4.350 0.005 0.000 0.250 53 T C 1.427 175.966 174.700 -0.269 0.000 1.037 53 T CA 0.706 62.738 62.100 -0.113 0.000 1.142 53 T CB -0.101 68.826 68.868 0.099 0.000 0.876 53 T HN 0.216 nan 8.240 nan 0.000 0.455 54 R N 0.513 120.646 120.500 -0.612 0.000 3.878 54 R HA -0.142 4.201 4.340 0.005 0.000 0.330 54 R C 1.092 176.978 176.300 -0.691 0.000 1.186 54 R CA 1.145 56.554 56.100 -1.152 0.000 0.885 54 R CB -1.623 28.274 30.300 -0.672 0.000 1.377 54 R HN 1.179 nan 8.270 nan 0.000 0.523 55 G N -2.723 105.916 108.800 -0.268 0.000 2.238 55 G HA2 -0.270 3.693 3.960 0.005 0.000 0.217 55 G HA3 -0.270 3.693 3.960 0.005 0.000 0.217 55 G C 0.072 175.038 174.900 0.109 0.000 0.996 55 G CA -0.048 45.087 45.100 0.059 0.000 0.632 55 G HN 0.457 nan 8.290 nan 0.000 0.503 56 S N 1.088 116.820 115.700 0.052 0.000 2.552 56 S HA 0.426 4.899 4.470 0.005 0.000 0.289 56 S C 1.093 175.778 174.600 0.142 0.000 1.304 56 S CA 0.104 58.339 58.200 0.059 0.000 1.063 56 S CB 1.424 64.617 63.200 -0.012 0.000 0.848 56 S HN 1.575 nan 8.310 nan 0.000 0.499 57 V N 2.313 122.291 119.914 0.107 0.000 3.096 57 V HA 0.486 4.609 4.120 0.005 0.000 0.306 57 V C -0.007 176.075 176.094 -0.020 0.000 1.088 57 V CA -0.311 62.055 62.300 0.110 0.000 1.129 57 V CB -0.183 31.687 31.823 0.078 0.000 1.014 57 V HN 0.703 nan 8.190 nan 0.000 0.486 58 I N 1.018 121.525 120.570 -0.105 0.000 2.892 58 I HA 0.686 4.859 4.170 0.005 0.000 0.306 58 I C -0.518 175.513 176.117 -0.142 0.000 1.078 58 I CA -0.355 60.823 61.300 -0.204 0.000 1.032 58 I CB 2.199 39.936 38.000 -0.439 0.000 1.229 58 I HN 0.700 nan 8.210 nan 0.000 0.435 59 C N 1.339 120.571 119.300 -0.114 0.000 2.994 59 C HA 0.737 5.200 4.460 0.005 0.000 0.304 59 C C -0.063 174.927 174.990 -0.001 0.000 1.273 59 C CA -0.345 58.648 59.018 -0.042 0.000 1.537 59 C CB 1.561 29.285 27.740 -0.027 0.000 2.001 59 C HN 1.082 nan 8.230 nan 0.000 0.471 60 H N -1.048 117.928 119.070 -0.157 0.000 4.267 60 H HA 0.491 5.039 4.556 -0.014 0.000 0.428 60 H C 0.839 176.113 175.328 -0.090 0.000 1.393 60 H CA -0.144 55.820 56.048 -0.140 0.000 0.918 60 H CB 0.249 29.880 29.762 -0.218 0.000 1.062 60 H HN 0.367 nan 8.280 nan 0.000 0.785 61 E N 0.176 120.018 120.200 -0.596 0.000 2.152 61 E HA 0.030 4.382 4.350 0.005 0.000 0.192 61 E C -0.134 176.133 176.600 -0.555 0.000 0.983 61 E CA 1.362 57.492 56.400 -0.451 0.000 0.818 61 E CB 0.378 29.939 29.700 -0.231 0.000 0.758 61 E HN 0.456 nan 8.360 nan 0.000 0.467 62 T N -0.490 113.450 114.554 -1.024 0.000 3.186 62 T HA 0.536 4.888 4.350 0.005 0.000 0.320 62 T C -0.727 173.825 174.700 -0.248 0.000 0.955 62 T CA 0.117 61.938 62.100 -0.464 0.000 1.030 62 T CB 0.448 69.180 68.868 -0.225 0.000 1.013 62 T HN 0.405 nan 8.240 nan 0.000 0.454 63 G N 4.368 113.098 108.800 -0.118 0.000 2.777 63 G HA2 -0.050 3.913 3.960 0.005 0.000 0.686 63 G HA3 -0.050 3.913 3.960 0.005 0.000 0.686 63 G C -0.436 174.494 174.900 0.050 0.000 1.177 63 G CA -0.372 44.729 45.100 0.001 0.000 0.775 63 G HN 1.055 nan 8.290 nan 0.000 0.613 64 R N 1.315 121.833 120.500 0.031 0.000 2.577 64 R HA 0.729 5.072 4.340 0.005 0.000 0.269 64 R C -0.530 175.789 176.300 0.032 0.000 1.084 64 R CA -0.675 55.440 56.100 0.026 0.000 1.163 64 R CB 0.909 31.223 30.300 0.024 0.000 1.100 64 R HN 0.543 nan 8.270 nan 0.000 0.547 65 L N 1.310 122.541 121.223 0.014 0.000 2.333 65 L HA 0.360 4.703 4.340 0.005 0.000 0.280 65 L C -0.685 176.340 176.870 0.257 0.000 1.004 65 L CA -0.802 54.085 54.840 0.078 0.000 0.820 65 L CB 2.030 44.024 42.059 -0.107 0.000 1.247 65 L HN 0.738 nan 8.230 nan 0.000 0.416 66 E N 5.547 125.921 120.200 0.289 0.000 2.171 66 E HA 0.425 4.778 4.350 0.005 0.000 0.271 66 E C -2.463 174.229 176.600 0.153 0.000 0.916 66 E CA -1.874 54.666 56.400 0.234 0.000 0.774 66 E CB 1.711 31.491 29.700 0.134 0.000 1.128 66 E HN 0.144 nan 8.360 nan 0.000 0.403 67 P HA 0.117 nan 4.420 nan 0.000 0.278 67 P C -0.453 176.796 177.300 -0.085 0.000 1.238 67 P CA -0.102 62.754 63.100 -0.406 0.000 0.794 67 P CB 1.597 33.048 31.700 -0.416 0.000 0.955 68 S N -0.149 115.539 115.700 -0.020 0.000 2.918 68 S HA 0.163 4.636 4.470 0.005 0.000 0.264 68 S C -0.271 174.432 174.600 0.173 0.000 1.078 68 S CA -0.376 57.879 58.200 0.092 0.000 0.918 68 S CB -0.105 63.168 63.200 0.121 0.000 0.882 68 S HN 0.513 nan 8.310 nan 0.000 0.466 69 W N 1.862 123.179 121.300 0.028 0.000 2.702 69 W HA 0.757 5.417 4.660 -0.000 0.000 0.331 69 W C -1.260 175.306 176.519 0.079 0.000 1.049 69 W CA -0.216 57.169 57.345 0.067 0.000 1.230 69 W CB 1.929 31.468 29.460 0.131 0.000 1.408 69 W HN 0.383 nan 8.180 nan 0.000 0.492 70 A N 4.561 127.000 122.820 -0.636 0.000 2.513 70 A HA 0.315 4.638 4.320 0.005 0.000 0.296 70 A C -1.876 175.066 177.584 -1.069 0.000 1.052 70 A CA -0.636 51.046 52.037 -0.592 0.000 0.714 70 A CB 1.550 20.398 19.000 -0.252 0.000 1.279 70 A HN 0.474 nan 8.150 nan 0.000 0.397 71 D N 3.145 122.990 120.400 -0.924 0.000 2.456 71 D HA 0.356 4.998 4.640 0.005 0.000 0.219 71 D C 1.402 177.412 176.300 -0.483 0.000 1.126 71 D CA -0.075 53.525 54.000 -0.665 0.000 0.890 71 D CB 1.336 41.897 40.800 -0.399 0.000 1.025 71 D HN 0.188 nan 8.370 nan 0.000 0.511 72 V N 4.849 124.421 119.914 -0.570 0.000 2.215 72 V HA -0.360 3.763 4.120 0.005 0.000 0.249 72 V C 2.958 178.810 176.094 -0.404 0.000 1.054 72 V CA 2.990 64.892 62.300 -0.662 0.000 1.012 72 V CB -0.996 30.513 31.823 -0.524 0.000 0.639 72 V HN 0.669 nan 8.190 nan 0.000 0.448 73 R N 0.362 120.713 120.500 -0.248 0.000 2.092 73 R HA -0.126 4.217 4.340 0.005 0.000 0.231 73 R C 1.868 178.116 176.300 -0.086 0.000 1.119 73 R CA 1.777 57.797 56.100 -0.133 0.000 0.970 73 R CB -1.544 28.693 30.300 -0.105 0.000 0.864 73 R HN 0.701 nan 8.270 nan 0.000 0.440 74 N N 0.729 119.367 118.700 -0.103 0.000 2.550 74 N HA -0.062 4.681 4.740 0.005 0.000 0.186 74 N C -0.363 175.143 175.510 -0.005 0.000 1.110 74 N CA 1.044 54.059 53.050 -0.057 0.000 0.912 74 N CB -0.144 38.302 38.487 -0.068 0.000 0.968 74 N HN 0.594 nan 8.380 nan 0.000 0.448 75 D N 0.486 120.899 120.400 0.022 0.000 3.133 75 D HA -0.179 4.464 4.640 0.005 0.000 0.239 75 D C -0.800 175.640 176.300 0.233 0.000 1.136 75 D CA 0.580 54.703 54.000 0.205 0.000 0.898 75 D CB -0.938 40.005 40.800 0.238 0.000 0.959 75 D HN 0.388 nan 8.370 nan 0.000 0.415 76 M N 0.360 120.105 119.600 0.241 0.000 2.389 76 M HA 0.513 4.996 4.480 0.005 0.000 0.291 76 M C -1.429 175.139 176.300 0.447 0.000 1.128 76 M CA -1.072 54.413 55.300 0.307 0.000 0.942 76 M CB 1.742 34.357 32.600 0.026 0.000 1.783 76 M HN 0.125 nan 8.290 nan 0.000 0.501 77 I N 1.204 122.159 120.570 0.642 0.000 2.730 77 I HA 0.749 4.921 4.170 0.005 0.000 0.298 77 I C -1.245 175.301 176.117 0.714 0.000 1.089 77 I CA -0.290 61.383 61.300 0.622 0.000 1.041 77 I CB 2.475 40.774 38.000 0.499 0.000 1.235 77 I HN 0.904 nan 8.210 nan 0.000 0.423 78 S N 4.798 120.840 115.700 0.570 0.000 2.561 78 S HA 0.567 5.040 4.470 0.005 0.000 0.303 78 S C -1.572 173.115 174.600 0.145 0.000 1.110 78 S CA -0.279 58.157 58.200 0.392 0.000 1.034 78 S CB 0.676 64.186 63.200 0.515 0.000 1.010 78 S HN 0.428 nan 8.310 nan 0.000 0.482 79 Y N 2.207 122.586 120.300 0.132 0.000 2.342 79 Y HA 0.520 5.069 4.550 -0.003 0.000 0.338 79 Y C 1.182 177.116 175.900 0.058 0.000 0.965 79 Y CA 0.329 58.513 58.100 0.140 0.000 1.159 79 Y CB 1.709 40.293 38.460 0.208 0.000 1.157 79 Y HN 1.014 nan 8.280 nan 0.000 0.486 80 G N 1.991 110.892 108.800 0.169 0.000 2.165 80 G HA2 0.232 4.195 3.960 0.005 0.000 0.226 80 G HA3 0.232 4.195 3.960 0.005 0.000 0.226 80 G C 0.166 175.107 174.900 0.070 0.000 1.035 80 G CA 0.015 45.182 45.100 0.112 0.000 0.744 80 G HN 1.560 nan 8.290 nan 0.000 0.501 81 G N -2.113 106.737 108.800 0.084 0.000 2.347 81 G HA2 0.590 4.552 3.960 0.005 0.000 0.477 81 G HA3 0.590 4.552 3.960 0.005 0.000 0.477 81 G C 0.582 175.543 174.900 0.103 0.000 1.349 81 G CA 0.599 45.744 45.100 0.076 0.000 1.000 81 G HN 1.989 nan 8.290 nan 0.000 0.605 82 G N -1.059 107.786 108.800 0.075 0.000 2.684 82 G HA2 0.398 4.361 3.960 0.005 0.000 0.255 82 G HA3 0.398 4.361 3.960 0.005 0.000 0.255 82 G C 0.509 175.380 174.900 -0.048 0.000 1.219 82 G CA 0.089 45.187 45.100 -0.003 0.000 0.901 82 G HN 0.851 nan 8.290 nan 0.000 0.548 83 W N -0.000 120.995 121.300 -0.508 0.000 2.231 83 W HA 0.128 4.794 4.660 0.009 0.000 0.341 83 W C 1.097 177.456 176.519 -0.267 0.000 1.298 83 W CA 0.179 57.289 57.345 -0.390 0.000 1.266 83 W CB 0.583 29.615 29.460 -0.712 0.000 1.172 83 W HN 0.600 nan 8.180 nan 0.000 0.568 84 R N 2.639 122.834 120.500 -0.509 0.000 2.435 84 R HA 0.188 4.531 4.340 0.005 0.000 0.221 84 R C 0.618 176.693 176.300 -0.374 0.000 0.885 84 R CA -0.110 55.798 56.100 -0.320 0.000 1.018 84 R CB -0.144 30.072 30.300 -0.140 0.000 1.259 84 R HN 0.378 nan 8.270 nan 0.000 0.597 85 L N 1.969 122.792 121.223 -0.666 0.000 2.638 85 L HA 0.151 4.494 4.340 0.005 0.000 0.273 85 L C 0.453 177.299 176.870 -0.040 0.000 1.147 85 L CA 0.085 54.727 54.840 -0.330 0.000 0.941 85 L CB 0.632 42.521 42.059 -0.283 0.000 1.251 85 L HN 0.235 nan 8.230 nan 0.000 0.479 86 G N 1.974 110.745 108.800 -0.048 0.000 4.190 86 G HA2 0.526 4.488 3.960 0.005 0.000 0.328 86 G HA3 0.526 4.488 3.960 0.005 0.000 0.328 86 G C -0.499 174.406 174.900 0.008 0.000 1.364 86 G CA 0.294 45.390 45.100 -0.006 0.000 1.259 86 G HN 0.741 nan 8.290 nan 0.000 0.525 87 D N 1.119 121.539 120.400 0.032 0.000 2.886 87 D HA 0.666 5.308 4.640 0.005 0.000 0.216 87 D C -0.909 175.434 176.300 0.073 0.000 1.256 87 D CA -0.732 53.294 54.000 0.044 0.000 0.844 87 D CB 1.849 42.674 40.800 0.043 0.000 1.669 87 D HN 0.128 nan 8.370 nan 0.000 0.513 88 K N 0.147 120.591 120.400 0.073 0.000 2.318 88 K HA 0.523 4.845 4.320 0.005 0.000 0.249 88 K C -1.080 175.610 176.600 0.151 0.000 0.942 88 K CA -0.757 55.593 56.287 0.105 0.000 0.808 88 K CB 2.391 34.928 32.500 0.061 0.000 1.189 88 K HN 0.694 nan 8.250 nan 0.000 0.428 89 W N 2.760 124.065 121.300 0.008 0.000 2.215 89 W HA 0.132 4.795 4.660 0.004 0.000 0.342 89 W C -0.381 176.136 176.519 -0.004 0.000 1.237 89 W CA 0.107 57.455 57.345 0.005 0.000 1.283 89 W CB 0.587 30.053 29.460 0.010 0.000 1.131 89 W HN 0.620 nan 8.180 nan 0.000 0.606 90 D N 2.849 122.657 120.400 -0.987 0.000 2.619 90 D HA 0.222 4.865 4.640 0.005 0.000 0.241 90 D C -1.022 174.237 176.300 -1.736 0.000 1.087 90 D CA -0.983 52.434 54.000 -0.972 0.000 0.851 90 D CB 1.484 41.980 40.800 -0.506 0.000 1.474 90 D HN 0.350 nan 8.370 nan 0.000 0.478 91 K N 0.877 120.576 120.400 -1.168 0.000 2.550 91 K HA 0.249 4.572 4.320 0.005 0.000 0.280 91 K C -0.002 176.277 176.600 -0.534 0.000 0.987 91 K CA 1.037 56.809 56.287 -0.858 0.000 1.048 91 K CB -0.252 32.059 32.500 -0.315 0.000 0.879 91 K HN 0.783 nan 8.250 nan 0.000 0.491 92 E N 1.750 121.813 120.200 -0.228 0.000 2.937 92 E HA -0.220 4.133 4.350 0.005 0.000 0.152 92 E C -0.496 176.053 176.600 -0.086 0.000 1.769 92 E CA 1.712 58.077 56.400 -0.059 0.000 0.688 92 E CB -1.557 28.105 29.700 -0.064 0.000 1.091 92 E HN 0.757 nan 8.360 nan 0.000 0.362 93 E N -0.173 120.074 120.200 0.078 0.000 2.233 93 E HA 0.618 4.971 4.350 0.005 0.000 0.223 93 E C -1.578 175.158 176.600 0.228 0.000 1.048 93 E CA 0.108 56.564 56.400 0.093 0.000 0.883 93 E CB 1.175 30.852 29.700 -0.038 0.000 1.925 93 E HN 0.636 nan 8.360 nan 0.000 0.460 94 D N 1.076 121.616 120.400 0.234 0.000 2.616 94 D HA 0.382 5.024 4.640 0.005 0.000 0.238 94 D C -0.401 176.013 176.300 0.189 0.000 1.354 94 D CA -0.600 53.511 54.000 0.184 0.000 0.970 94 D CB 1.240 42.102 40.800 0.104 0.000 1.369 94 D HN 0.324 nan 8.370 nan 0.000 0.585 95 V N -0.564 119.450 119.914 0.167 0.000 3.166 95 V HA 0.753 4.876 4.120 0.005 0.000 0.317 95 V C -0.662 175.485 176.094 0.089 0.000 1.136 95 V CA -0.837 61.538 62.300 0.125 0.000 1.035 95 V CB 2.002 33.864 31.823 0.064 0.000 1.110 95 V HN 0.577 nan 8.190 nan 0.000 0.450 96 Q N 0.617 120.467 119.800 0.083 0.000 2.337 96 Q HA 0.544 4.887 4.340 0.005 0.000 0.260 96 Q C -1.699 174.355 176.000 0.091 0.000 0.982 96 Q CA -0.532 55.324 55.803 0.090 0.000 0.734 96 Q CB 2.192 30.975 28.738 0.075 0.000 1.272 96 Q HN 0.820 nan 8.270 nan 0.000 0.461 97 V N 4.824 124.789 119.914 0.086 0.000 2.387 97 V HA 0.058 4.181 4.120 0.005 0.000 0.260 97 V C 0.119 176.168 176.094 -0.074 0.000 1.054 97 V CA -0.327 61.984 62.300 0.019 0.000 0.967 97 V CB 0.589 32.441 31.823 0.048 0.000 1.036 97 V HN 0.616 nan 8.190 nan 0.000 0.481 98 L N 6.761 127.945 121.223 -0.065 0.000 2.415 98 L HA 0.456 4.799 4.340 0.005 0.000 0.269 98 L C 0.900 177.598 176.870 -0.286 0.000 1.244 98 L CA 0.060 54.815 54.840 -0.141 0.000 1.113 98 L CB -0.326 41.699 42.059 -0.057 0.000 1.352 98 L HN 0.664 nan 8.230 nan 0.000 0.433 99 A N 5.822 128.375 122.820 -0.445 0.000 2.454 99 A HA 0.449 4.772 4.320 0.005 0.000 0.260 99 A C 0.102 177.451 177.584 -0.391 0.000 1.106 99 A CA -0.277 51.372 52.037 -0.646 0.000 0.780 99 A CB -0.138 18.167 19.000 -1.158 0.000 1.044 99 A HN 0.538 nan 8.150 nan 0.000 0.498 100 I N 3.598 123.986 120.570 -0.305 0.000 2.578 100 I HA 0.165 4.337 4.170 0.005 0.000 0.284 100 I C 0.080 176.115 176.117 -0.137 0.000 1.156 100 I CA -0.290 60.901 61.300 -0.182 0.000 1.165 100 I CB -0.440 37.487 38.000 -0.121 0.000 1.567 100 I HN 0.594 nan 8.210 nan 0.000 0.546 101 E N 5.621 125.742 120.200 -0.132 0.000 2.413 101 E HA 0.109 4.462 4.350 0.005 0.000 0.263 101 E C -2.134 174.447 176.600 -0.031 0.000 1.015 101 E CA -1.446 54.915 56.400 -0.065 0.000 0.916 101 E CB 0.384 30.065 29.700 -0.032 0.000 0.947 101 E HN 0.251 nan 8.360 nan 0.000 0.440 102 P HA 0.017 nan 4.420 nan 0.000 0.271 102 P C 0.630 177.933 177.300 0.004 0.000 1.233 102 P CA 0.425 63.527 63.100 0.005 0.000 0.764 102 P CB 0.400 32.112 31.700 0.020 0.000 0.825 103 G N 2.285 111.084 108.800 -0.001 0.000 2.148 103 G HA2 -0.253 3.710 3.960 0.005 0.000 0.254 103 G HA3 -0.253 3.710 3.960 0.005 0.000 0.254 103 G C -0.073 174.823 174.900 -0.006 0.000 0.981 103 G CA 0.231 45.331 45.100 -0.000 0.000 0.670 103 G HN 0.563 nan 8.290 nan 0.000 0.528 104 K N -0.630 119.761 120.400 -0.015 0.000 2.435 104 K HA 0.558 4.881 4.320 0.005 0.000 0.251 104 K C -0.264 176.312 176.600 -0.041 0.000 0.954 104 K CA -1.010 55.264 56.287 -0.021 0.000 0.820 104 K CB 1.038 33.530 32.500 -0.014 0.000 1.292 104 K HN 0.108 nan 8.250 nan 0.000 0.436 105 N N 1.627 120.301 118.700 -0.042 0.000 2.492 105 N HA 0.184 4.927 4.740 0.005 0.000 0.262 105 N C -2.452 173.005 175.510 -0.089 0.000 1.202 105 N CA -1.200 51.815 53.050 -0.058 0.000 0.926 105 N CB 0.411 38.871 38.487 -0.046 0.000 1.078 105 N HN 0.223 nan 8.380 nan 0.000 0.454 106 P HA 0.016 nan 4.420 nan 0.000 0.264 106 P C -1.180 175.993 177.300 -0.212 0.000 1.183 106 P CA 0.523 63.515 63.100 -0.181 0.000 0.763 106 P CB 0.176 31.761 31.700 -0.192 0.000 0.807 107 K N 1.620 121.870 120.400 -0.251 0.000 2.482 107 K HA 0.416 4.739 4.320 0.005 0.000 0.251 107 K C -0.721 175.722 176.600 -0.263 0.000 0.936 107 K CA -0.919 55.236 56.287 -0.220 0.000 0.791 107 K CB 1.354 33.802 32.500 -0.086 0.000 1.213 107 K HN 0.374 nan 8.250 nan 0.000 0.428 108 H N 1.560 120.607 119.070 -0.038 0.000 2.683 108 H HA 0.235 4.794 4.556 0.005 0.000 0.339 108 H C -0.482 174.850 175.328 0.007 0.000 1.081 108 H CA -0.438 55.594 56.048 -0.027 0.000 1.432 108 H CB 1.464 31.221 29.762 -0.008 0.000 1.462 108 H HN 0.271 nan 8.280 nan 0.000 0.557 109 V N 4.110 124.106 119.914 0.137 0.000 2.447 109 V HA 0.118 4.241 4.120 0.005 0.000 0.292 109 V C 0.124 176.307 176.094 0.147 0.000 1.021 109 V CA -0.770 61.628 62.300 0.163 0.000 0.850 109 V CB 1.777 33.771 31.823 0.284 0.000 1.005 109 V HN 0.710 nan 8.190 nan 0.000 0.426 110 Q N 2.688 122.558 119.800 0.117 0.000 2.235 110 Q HA 0.711 5.054 4.340 0.005 0.000 0.250 110 Q C -0.560 175.493 176.000 0.088 0.000 0.909 110 Q CA -0.018 55.841 55.803 0.094 0.000 0.910 110 Q CB 1.857 30.637 28.738 0.070 0.000 1.223 110 Q HN 0.793 nan 8.270 nan 0.000 0.432 111 T N 1.980 116.584 114.554 0.083 0.000 2.792 111 T HA 0.291 4.644 4.350 0.005 0.000 0.303 111 T C -1.744 173.000 174.700 0.073 0.000 1.310 111 T CA -0.729 61.414 62.100 0.071 0.000 1.007 111 T CB 1.445 70.353 68.868 0.068 0.000 1.335 111 T HN 0.573 nan 8.240 nan 0.000 0.504 112 K N 2.710 123.153 120.400 0.071 0.000 2.284 112 K HA 0.455 4.778 4.320 0.005 0.000 0.287 112 K C -2.376 174.261 176.600 0.061 0.000 1.081 112 K CA -1.838 54.503 56.287 0.091 0.000 0.910 112 K CB 0.670 33.219 32.500 0.082 0.000 1.088 112 K HN 0.235 nan 8.250 nan 0.000 0.478 113 P HA 0.164 nan 4.420 nan 0.000 0.287 113 P C -0.393 176.838 177.300 -0.116 0.000 1.294 113 P CA -0.488 62.529 63.100 -0.138 0.000 0.776 113 P CB 1.532 32.925 31.700 -0.511 0.000 0.889 114 G N 3.093 111.763 108.800 -0.217 0.000 2.467 114 G HA2 0.388 4.351 3.960 0.005 0.000 0.257 114 G HA3 0.388 4.351 3.960 0.005 0.000 0.257 114 G C -0.938 173.599 174.900 -0.604 0.000 1.227 114 G CA -0.571 44.241 45.100 -0.481 0.000 0.835 114 G HN 0.559 nan 8.290 nan 0.000 0.556 115 L N 2.313 123.242 121.223 -0.490 0.000 2.283 115 L HA 0.551 4.893 4.340 0.005 0.000 0.281 115 L C -0.873 175.789 176.870 -0.346 0.000 1.033 115 L CA -0.700 53.992 54.840 -0.247 0.000 0.848 115 L CB 0.031 42.135 42.059 0.075 0.000 1.226 115 L HN 0.412 nan 8.230 nan 0.000 0.429 116 F N 3.068 123.046 119.950 0.045 0.000 2.497 116 F HA 0.486 5.015 4.527 0.004 0.000 0.331 116 F C 0.421 176.234 175.800 0.021 0.000 1.060 116 F CA -1.086 56.929 58.000 0.025 0.000 0.989 116 F CB 1.114 40.117 39.000 0.006 0.000 1.245 116 F HN 0.173 nan 8.300 nan 0.000 0.486 117 K N 1.572 122.118 120.400 0.244 0.000 2.258 117 K HA 0.260 4.583 4.320 0.005 0.000 0.284 117 K C 0.143 176.795 176.600 0.087 0.000 1.051 117 K CA -0.080 56.282 56.287 0.125 0.000 0.923 117 K CB 1.435 33.992 32.500 0.094 0.000 1.046 117 K HN 0.828 nan 8.250 nan 0.000 0.474 118 T N -0.602 113.989 114.554 0.061 0.000 3.070 118 T HA 0.286 4.639 4.350 0.005 0.000 0.295 118 T C 1.165 175.877 174.700 0.021 0.000 1.221 118 T CA -0.659 61.462 62.100 0.035 0.000 0.926 118 T CB 0.332 69.216 68.868 0.027 0.000 2.158 118 T HN 0.226 nan 8.240 nan 0.000 0.573 119 L N -0.439 120.790 121.223 0.011 0.000 2.672 119 L HA 0.272 4.615 4.340 0.005 0.000 0.236 119 L C 2.397 179.269 176.870 0.003 0.000 1.092 119 L CA 0.528 55.370 54.840 0.005 0.000 0.887 119 L CB -1.789 40.269 42.059 -0.002 0.000 1.168 119 L HN 0.693 nan 8.230 nan 0.000 0.502 120 T N -0.289 114.267 114.554 0.003 0.000 2.894 120 T HA 0.348 4.701 4.350 0.005 0.000 0.258 120 T C 1.319 176.023 174.700 0.007 0.000 1.043 120 T CA 1.252 63.353 62.100 0.001 0.000 1.141 120 T CB 0.514 69.380 68.868 -0.003 0.000 0.873 120 T HN 0.475 nan 8.240 nan 0.000 0.449 121 G N 1.055 109.863 108.800 0.014 0.000 3.091 121 G HA2 0.399 4.362 3.960 0.005 0.000 0.137 121 G HA3 0.399 4.362 3.960 0.005 0.000 0.137 121 G C -1.615 173.304 174.900 0.032 0.000 1.180 121 G CA -0.294 44.818 45.100 0.020 0.000 1.466 121 G HN 0.475 nan 8.290 nan 0.000 0.704 122 E N -0.575 119.647 120.200 0.037 0.000 2.321 122 E HA 0.715 5.067 4.350 0.005 0.000 0.278 122 E C -1.858 174.777 176.600 0.059 0.000 0.902 122 E CA -0.769 55.662 56.400 0.053 0.000 0.758 122 E CB 2.717 32.448 29.700 0.051 0.000 1.213 122 E HN 0.325 nan 8.360 nan 0.000 0.426 123 I N 1.438 122.050 120.570 0.069 0.000 2.769 123 I HA 0.533 4.705 4.170 0.005 0.000 0.298 123 I C 0.143 176.296 176.117 0.059 0.000 1.128 123 I CA -0.484 60.855 61.300 0.065 0.000 1.031 123 I CB 2.462 40.485 38.000 0.039 0.000 1.235 123 I HN 0.741 nan 8.210 nan 0.000 0.423 124 G N 2.624 111.455 108.800 0.053 0.000 2.400 124 G HA2 0.807 4.770 3.960 0.005 0.000 0.301 124 G HA3 0.807 4.770 3.960 0.005 0.000 0.301 124 G C -1.061 173.689 174.900 -0.251 0.000 1.154 124 G CA -0.157 44.874 45.100 -0.116 0.000 0.852 124 G HN 0.867 nan 8.290 nan 0.000 0.511 125 A N 0.154 122.789 122.820 -0.309 0.000 2.583 125 A HA 0.833 5.156 4.320 0.005 0.000 0.289 125 A C -0.660 176.805 177.584 -0.197 0.000 1.151 125 A CA -0.267 51.654 52.037 -0.193 0.000 0.695 125 A CB 1.447 20.437 19.000 -0.017 0.000 1.290 125 A HN 1.986 nan 8.150 nan 0.000 0.419 126 V N -1.865 118.000 119.914 -0.081 0.000 2.555 126 V HA 0.739 4.862 4.120 0.005 0.000 0.302 126 V C -0.166 175.967 176.094 0.065 0.000 1.038 126 V CA -0.280 62.019 62.300 -0.003 0.000 0.887 126 V CB 1.219 33.083 31.823 0.068 0.000 0.991 126 V HN 0.805 nan 8.190 nan 0.000 0.434 127 T N 6.513 121.114 114.554 0.078 0.000 3.855 127 T HA 0.551 4.904 4.350 0.005 0.000 0.306 127 T C -0.176 174.540 174.700 0.026 0.000 1.575 127 T CA 0.108 62.250 62.100 0.070 0.000 1.214 127 T CB -1.129 67.796 68.868 0.095 0.000 1.262 127 T HN 0.553 nan 8.240 nan 0.000 0.883 128 L N 1.155 122.398 121.223 0.034 0.000 2.370 128 L HA 0.648 4.991 4.340 0.005 0.000 0.266 128 L C -0.699 176.076 176.870 -0.159 0.000 1.002 128 L CA -1.152 53.622 54.840 -0.111 0.000 0.818 128 L CB 2.254 44.258 42.059 -0.091 0.000 1.325 128 L HN 0.158 nan 8.230 nan 0.000 0.418 129 D N 1.177 121.319 120.400 -0.430 0.000 2.481 129 D HA 0.593 5.236 4.640 0.005 0.000 0.246 129 D C -1.319 174.644 176.300 -0.561 0.000 1.109 129 D CA -0.007 53.824 54.000 -0.282 0.000 0.845 129 D CB 0.979 41.697 40.800 -0.137 0.000 1.160 129 D HN 0.143 nan 8.370 nan 0.000 0.534 130 F N 1.635 121.653 119.950 0.114 0.000 2.598 130 F HA 0.471 5.001 4.527 0.006 0.000 0.327 130 F C 0.961 176.804 175.800 0.072 0.000 1.057 130 F CA -1.248 56.752 58.000 -0.000 0.000 0.957 130 F CB 1.230 40.097 39.000 -0.220 0.000 1.278 130 F HN -0.120 nan 8.300 nan 0.000 0.484 131 K N 1.209 121.750 120.400 0.234 0.000 2.219 131 K HA 0.276 4.599 4.320 0.005 0.000 0.258 131 K C -2.542 174.158 176.600 0.167 0.000 1.008 131 K CA -1.480 54.899 56.287 0.154 0.000 0.928 131 K CB 0.209 32.772 32.500 0.104 0.000 0.983 131 K HN 0.176 nan 8.250 nan 0.000 0.484 132 P HA 0.004 nan 4.420 nan 0.000 0.266 132 P C 0.536 177.906 177.300 0.116 0.000 1.195 132 P CA 0.653 63.835 63.100 0.138 0.000 0.768 132 P CB 0.383 32.145 31.700 0.102 0.000 0.838 133 G N 1.640 110.517 108.800 0.129 0.000 2.176 133 G HA2 -0.233 3.730 3.960 0.005 0.000 0.232 133 G HA3 -0.233 3.730 3.960 0.005 0.000 0.232 133 G C 0.800 175.745 174.900 0.076 0.000 0.986 133 G CA 0.450 45.602 45.100 0.086 0.000 0.643 133 G HN 0.501 nan 8.290 nan 0.000 0.522 134 T N 0.997 115.615 114.554 0.107 0.000 3.014 134 T HA 0.276 4.628 4.350 0.005 0.000 0.250 134 T C 1.324 176.109 174.700 0.142 0.000 1.060 134 T CA 0.744 62.877 62.100 0.054 0.000 1.040 134 T CB 0.257 69.113 68.868 -0.021 0.000 0.971 134 T HN 0.478 nan 8.240 nan 0.000 0.497 135 S N 1.915 117.775 115.700 0.266 0.000 2.887 135 S HA 0.370 4.842 4.470 0.005 0.000 0.337 135 S C 1.426 176.164 174.600 0.230 0.000 1.209 135 S CA 0.475 58.894 58.200 0.365 0.000 1.186 135 S CB -0.323 63.156 63.200 0.466 0.000 0.925 135 S HN 0.752 nan 8.310 nan 0.000 0.522 136 G N 2.401 111.355 108.800 0.258 0.000 2.198 136 G HA2 -0.176 3.786 3.960 0.005 0.000 0.156 136 G HA3 -0.176 3.786 3.960 0.005 0.000 0.156 136 G C 0.080 175.053 174.900 0.123 0.000 1.012 136 G CA -0.341 44.863 45.100 0.172 0.000 0.692 136 G HN 0.654 nan 8.290 nan 0.000 0.492 137 S N 2.732 118.493 115.700 0.102 0.000 2.564 137 S HA 0.512 4.985 4.470 0.005 0.000 0.278 137 S C -1.732 172.894 174.600 0.043 0.000 1.333 137 S CA -0.473 57.725 58.200 -0.003 0.000 1.048 137 S CB 1.352 64.440 63.200 -0.187 0.000 0.900 137 S HN 0.354 nan 8.310 nan 0.000 0.505 138 P HA 0.247 nan 4.420 nan 0.000 0.275 138 P C -0.949 176.381 177.300 0.050 0.000 1.227 138 P CA -0.105 63.023 63.100 0.047 0.000 0.781 138 P CB 0.331 32.052 31.700 0.035 0.000 0.906 139 I N 3.905 124.521 120.570 0.076 0.000 2.339 139 I HA 0.322 4.495 4.170 0.005 0.000 0.290 139 I C 0.324 176.486 176.117 0.075 0.000 0.994 139 I CA -0.827 60.517 61.300 0.073 0.000 1.191 139 I CB 1.046 39.086 38.000 0.066 0.000 1.343 139 I HN 0.067 nan 8.210 nan 0.000 0.458 140 I N 5.312 125.929 120.570 0.078 0.000 2.412 140 I HA 0.362 4.535 4.170 0.005 0.000 0.296 140 I C 0.189 176.360 176.117 0.089 0.000 0.987 140 I CA -0.543 60.803 61.300 0.078 0.000 1.180 140 I CB 1.165 39.208 38.000 0.072 0.000 1.340 140 I HN 0.571 nan 8.210 nan 0.000 0.455 141 N N 3.814 122.569 118.700 0.093 0.000 2.413 141 N HA 0.173 4.916 4.740 0.005 0.000 0.266 141 N C 1.005 176.554 175.510 0.066 0.000 1.238 141 N CA -0.365 52.749 53.050 0.106 0.000 0.972 141 N CB 1.280 39.831 38.487 0.107 0.000 1.210 141 N HN 0.360 nan 8.380 nan 0.000 0.547 142 K N 1.031 121.467 120.400 0.060 0.000 2.152 142 K HA -0.137 4.186 4.320 0.005 0.000 0.206 142 K C 1.353 177.964 176.600 0.019 0.000 1.048 142 K CA 1.389 57.695 56.287 0.032 0.000 0.933 142 K CB 0.000 32.517 32.500 0.028 0.000 0.721 142 K HN 0.382 nan 8.250 nan 0.000 0.447 143 K N -1.123 119.291 120.400 0.023 0.000 2.057 143 K HA -0.078 4.245 4.320 0.005 0.000 0.206 143 K C 1.488 178.096 176.600 0.014 0.000 1.050 143 K CA 1.382 57.678 56.287 0.015 0.000 0.935 143 K CB -0.045 32.465 32.500 0.017 0.000 0.715 143 K HN 0.385 nan 8.250 nan 0.000 0.439 144 G N 0.318 109.131 108.800 0.021 0.000 2.296 144 G HA2 -0.206 3.757 3.960 0.005 0.000 0.188 144 G HA3 -0.206 3.757 3.960 0.005 0.000 0.188 144 G C -0.621 174.295 174.900 0.028 0.000 1.000 144 G CA -0.070 45.041 45.100 0.019 0.000 0.672 144 G HN 0.313 nan 8.290 nan 0.000 0.483 145 K N 0.848 121.265 120.400 0.030 0.000 2.201 145 K HA 0.736 5.058 4.320 0.005 0.000 0.278 145 K C 0.233 176.858 176.600 0.041 0.000 1.027 145 K CA -0.748 55.556 56.287 0.028 0.000 0.909 145 K CB 3.010 35.522 32.500 0.019 0.000 1.062 145 K HN 0.413 nan 8.250 nan 0.000 0.465 146 V N 5.873 125.807 119.914 0.034 0.000 2.493 146 V HA -0.002 4.121 4.120 0.005 0.000 0.292 146 V C 0.837 176.969 176.094 0.063 0.000 1.016 146 V CA 0.033 62.361 62.300 0.047 0.000 1.097 146 V CB -0.511 31.331 31.823 0.031 0.000 0.947 146 V HN 0.877 nan 8.190 nan 0.000 0.479 147 I N 4.846 125.471 120.570 0.091 0.000 4.018 147 I HA 0.744 4.916 4.170 0.005 0.000 0.337 147 I C 0.707 176.898 176.117 0.124 0.000 1.327 147 I CA 0.387 61.758 61.300 0.118 0.000 1.100 147 I CB 0.027 38.125 38.000 0.164 0.000 1.025 147 I HN 0.732 nan 8.210 nan 0.000 0.396 148 G N 1.096 109.968 108.800 0.120 0.000 2.320 148 G HA2 0.490 4.453 3.960 0.005 0.000 0.296 148 G HA3 0.490 4.453 3.960 0.005 0.000 0.296 148 G C -1.923 173.064 174.900 0.145 0.000 1.306 148 G CA -0.850 44.328 45.100 0.130 0.000 0.836 148 G HN 0.066 nan 8.290 nan 0.000 0.517 149 L N -0.425 120.894 121.223 0.160 0.000 2.341 149 L HA 0.454 4.797 4.340 0.005 0.000 0.267 149 L C -0.680 176.304 176.870 0.190 0.000 1.009 149 L CA -1.124 53.828 54.840 0.187 0.000 0.819 149 L CB 2.467 44.666 42.059 0.233 0.000 1.323 149 L HN 0.634 nan 8.230 nan 0.000 0.425 150 Y N 1.535 121.887 120.300 0.087 0.000 2.601 150 Y HA 0.191 4.743 4.550 0.004 0.000 0.350 150 Y C 0.872 176.848 175.900 0.127 0.000 1.230 150 Y CA -0.673 57.487 58.100 0.099 0.000 1.733 150 Y CB 0.091 38.610 38.460 0.098 0.000 1.497 150 Y HN 0.530 nan 8.280 nan 0.000 0.472 151 G N 5.304 114.038 108.800 -0.109 0.000 2.605 151 G HA2 -0.008 3.955 3.960 0.005 0.000 0.301 151 G HA3 -0.008 3.955 3.960 0.005 0.000 0.301 151 G C -0.292 174.490 174.900 -0.197 0.000 0.881 151 G CA -0.706 44.351 45.100 -0.072 0.000 1.553 151 G HN 0.553 nan 8.290 nan 0.000 0.483 152 N N 1.282 119.901 118.700 -0.136 0.000 2.475 152 N HA 0.465 5.207 4.740 0.005 0.000 0.267 152 N C 0.787 176.197 175.510 -0.167 0.000 1.169 152 N CA 0.578 53.532 53.050 -0.159 0.000 0.947 152 N CB 1.754 40.206 38.487 -0.059 0.000 1.061 152 N HN 0.570 nan 8.380 nan 0.000 0.466 153 G N -0.417 108.302 108.800 -0.135 0.000 3.107 153 G HA2 0.589 4.552 3.960 0.005 0.000 0.233 153 G HA3 0.589 4.552 3.960 0.005 0.000 0.233 153 G C -1.098 173.742 174.900 -0.099 0.000 1.168 153 G CA -0.499 44.526 45.100 -0.126 0.000 0.801 153 G HN 0.460 nan 8.290 nan 0.000 0.605 154 V N -0.957 118.909 119.914 -0.080 0.000 3.283 154 V HA -0.117 4.006 4.120 0.005 0.000 0.461 154 V C -0.090 175.972 176.094 -0.054 0.000 0.682 154 V CA 0.191 62.451 62.300 -0.067 0.000 1.989 154 V CB -1.516 30.265 31.823 -0.070 0.000 2.451 154 V HN 1.766 nan 8.190 nan 0.000 0.496 155 V N 2.684 122.571 119.914 -0.045 0.000 2.294 155 V HA 0.742 4.865 4.120 0.005 0.000 0.272 155 V C 0.530 176.591 176.094 -0.054 0.000 1.027 155 V CA 0.352 62.623 62.300 -0.048 0.000 0.823 155 V CB 1.461 33.260 31.823 -0.040 0.000 1.030 155 V HN 1.004 nan 8.190 nan 0.000 0.457 156 T N 4.402 118.917 114.554 -0.064 0.000 2.926 156 T HA 0.484 4.837 4.350 0.005 0.000 0.307 156 T C 0.479 175.129 174.700 -0.084 0.000 1.059 156 T CA 0.474 62.533 62.100 -0.068 0.000 1.122 156 T CB 0.402 69.232 68.868 -0.065 0.000 0.972 156 T HN 1.356 nan 8.240 nan 0.000 0.545 157 K N 1.745 122.100 120.400 -0.075 0.000 2.339 157 K HA 0.629 4.952 4.320 0.005 0.000 0.286 157 K C 0.117 176.653 176.600 -0.107 0.000 1.050 157 K CA 0.057 56.298 56.287 -0.078 0.000 0.956 157 K CB -0.108 32.358 32.500 -0.055 0.000 0.990 157 K HN 1.109 nan 8.250 nan 0.000 0.475 158 S N 0.567 116.191 115.700 -0.126 0.000 2.603 158 S HA 0.775 5.248 4.470 0.005 0.000 0.274 158 S C 0.504 175.030 174.600 -0.123 0.000 1.168 158 S CA -0.079 58.058 58.200 -0.105 0.000 0.963 158 S CB 1.326 64.483 63.200 -0.072 0.000 1.078 158 S HN 1.253 nan 8.310 nan 0.000 0.477 159 G N 0.551 109.282 108.800 -0.115 0.000 3.341 159 G HA2 0.579 4.542 3.960 0.005 0.000 0.186 159 G HA3 0.579 4.542 3.960 0.005 0.000 0.186 159 G C -0.052 174.792 174.900 -0.092 0.000 1.430 159 G CA 1.075 46.119 45.100 -0.094 0.000 0.961 159 G HN 0.639 nan 8.290 nan 0.000 0.767 160 D N -0.858 119.503 120.400 -0.065 0.000 4.528 160 D HA -0.292 4.351 4.640 0.005 0.000 0.253 160 D C 1.400 177.670 176.300 -0.050 0.000 0.519 160 D CA 3.163 57.132 54.000 -0.053 0.000 1.128 160 D CB -1.473 39.297 40.800 -0.050 0.000 0.662 160 D HN 0.906 nan 8.370 nan 0.000 0.364 161 Y N 0.597 120.865 120.300 -0.054 0.000 3.106 161 Y HA 0.583 5.136 4.550 0.005 0.000 0.438 161 Y C 1.432 177.294 175.900 -0.064 0.000 1.222 161 Y CA 0.234 58.307 58.100 -0.045 0.000 1.563 161 Y CB -0.626 37.823 38.460 -0.019 0.000 1.450 161 Y HN 0.413 nan 8.280 nan 0.000 0.842 162 V N -0.906 118.979 119.914 -0.049 0.000 2.732 162 V HA 0.650 4.773 4.120 0.005 0.000 0.310 162 V C -0.372 175.692 176.094 -0.049 0.000 1.053 162 V CA -0.971 61.326 62.300 -0.004 0.000 0.957 162 V CB 1.189 33.078 31.823 0.110 0.000 1.018 162 V HN 0.826 nan 8.190 nan 0.000 0.452 163 S N 2.578 118.225 115.700 -0.088 0.000 2.411 163 S HA 0.693 5.166 4.470 0.005 0.000 0.294 163 S C 0.422 174.898 174.600 -0.207 0.000 1.115 163 S CA -0.026 58.018 58.200 -0.259 0.000 1.071 163 S CB 0.728 63.585 63.200 -0.573 0.000 0.967 163 S HN 1.478 nan 8.310 nan 0.000 0.488 164 A N 3.619 126.341 122.820 -0.164 0.000 2.498 164 A HA 0.321 4.644 4.320 0.005 0.000 0.239 164 A C 0.305 177.827 177.584 -0.102 0.000 1.068 164 A CA -0.351 51.625 52.037 -0.102 0.000 0.766 164 A CB -0.305 18.657 19.000 -0.064 0.000 1.003 164 A HN 0.873 nan 8.150 nan 0.000 0.497 165 I N 2.879 123.384 120.570 -0.107 0.000 2.357 165 I HA 0.058 4.231 4.170 0.005 0.000 0.300 165 I C 0.101 176.199 176.117 -0.031 0.000 1.159 165 I CA 0.457 61.705 61.300 -0.087 0.000 1.339 165 I CB -0.221 37.658 38.000 -0.201 0.000 1.458 165 I HN 0.503 nan 8.210 nan 0.000 0.577 166 T N 6.560 121.117 114.554 0.004 0.000 2.743 166 T HA 0.487 4.839 4.350 0.005 0.000 0.292 166 T C -0.272 174.441 174.700 0.021 0.000 0.972 166 T CA -0.621 61.485 62.100 0.009 0.000 0.967 166 T CB 0.950 69.832 68.868 0.024 0.000 0.926 166 T HN 0.678 nan 8.240 nan 0.000 0.459 167 Q N 2.117 121.894 119.800 -0.038 0.000 2.575 167 Q HA 0.772 5.115 4.340 0.005 0.000 0.290 167 Q C -1.553 174.297 176.000 -0.250 0.000 0.963 167 Q CA -1.198 54.522 55.803 -0.139 0.000 0.783 167 Q CB 1.196 29.965 28.738 0.051 0.000 1.467 167 Q HN 0.594 nan 8.270 nan 0.000 0.402 168 A N 0.927 123.420 122.820 -0.544 0.000 2.239 168 A HA 0.581 4.904 4.320 0.005 0.000 0.303 168 A C -0.649 176.789 177.584 -0.243 0.000 1.114 168 A CA -0.579 51.217 52.037 -0.402 0.000 0.871 168 A CB 0.496 19.159 19.000 -0.563 0.000 1.201 168 A HN 0.766 nan 8.150 nan 0.000 0.506 169 E N -0.007 120.105 120.200 -0.148 0.000 2.343 169 E HA 0.355 4.707 4.350 0.005 0.000 0.269 169 E C -0.195 176.359 176.600 -0.076 0.000 1.047 169 E CA -0.643 55.713 56.400 -0.073 0.000 0.874 169 E CB 0.658 30.337 29.700 -0.034 0.000 1.033 169 E HN 0.509 nan 8.360 nan 0.000 0.409 170 R N 2.278 122.761 120.500 -0.030 0.000 2.478 170 R HA -0.026 4.316 4.340 0.005 0.000 0.281 170 R C -0.816 175.457 176.300 -0.046 0.000 0.939 170 R CA 0.770 56.858 56.100 -0.019 0.000 1.120 170 R CB -0.113 30.180 30.300 -0.012 0.000 0.885 170 R HN 0.600 nan 8.270 nan 0.000 0.415 171 I N 3.008 123.543 120.570 -0.059 0.000 2.610 171 I HA 0.523 4.696 4.170 0.005 0.000 0.289 171 I C -0.669 175.406 176.117 -0.069 0.000 1.163 171 I CA 0.372 61.622 61.300 -0.083 0.000 1.044 171 I CB 1.891 39.786 38.000 -0.174 0.000 1.251 171 I HN 0.793 nan 8.210 nan 0.000 0.424 172 G N 6.766 115.537 108.800 -0.048 0.000 2.980 172 G HA2 -0.147 3.816 3.960 0.005 0.000 0.255 172 G HA3 -0.147 3.816 3.960 0.005 0.000 0.255 172 G C 0.196 175.078 174.900 -0.028 0.000 1.020 172 G CA 0.047 45.127 45.100 -0.034 0.000 1.230 172 G HN 0.786 nan 8.290 nan 0.000 0.580 173 E N 0.321 120.504 120.200 -0.028 0.000 2.076 173 E HA -0.060 4.293 4.350 0.005 0.000 0.190 173 E C -0.642 175.941 176.600 -0.028 0.000 0.979 173 E CA 1.533 57.917 56.400 -0.027 0.000 0.807 173 E CB -0.723 28.960 29.700 -0.027 0.000 0.761 173 E HN 0.498 nan 8.360 nan 0.000 0.454 174 P HA 0.044 nan 4.420 nan 0.000 0.215 174 P C -0.752 176.527 177.300 -0.036 0.000 1.160 174 P CA 0.668 63.751 63.100 -0.029 0.000 0.869 174 P CB 0.188 31.876 31.700 -0.019 0.000 0.782 175 D N -4.461 115.927 120.400 -0.020 0.000 10.707 175 D HA -0.079 4.564 4.640 0.005 0.000 0.329 175 D C -0.895 175.401 176.300 -0.006 0.000 3.123 175 D CA 1.384 55.382 54.000 -0.004 0.000 2.734 175 D CB -1.340 39.462 40.800 0.004 0.000 1.209 175 D HN 0.205 nan 8.370 nan 0.000 0.938 176 Y N 0.545 120.846 120.300 0.002 0.000 2.325 176 Y HA 0.625 5.178 4.550 0.005 0.000 0.336 176 Y C 0.592 176.502 175.900 0.017 0.000 1.130 176 Y CA -0.470 57.637 58.100 0.012 0.000 1.264 176 Y CB 0.801 39.270 38.460 0.014 0.000 1.128 176 Y HN 0.544 nan 8.280 nan 0.000 0.469 177 E N -0.176 120.036 120.200 0.019 0.000 8.880 177 E HA -0.172 4.181 4.350 0.005 0.000 0.183 177 E C -0.483 176.129 176.600 0.019 0.000 1.450 177 E CA 0.860 57.273 56.400 0.023 0.000 2.521 177 E CB -0.738 28.981 29.700 0.032 0.000 1.229 177 E HN 1.421 nan 8.360 nan 0.000 0.443 178 V N 0.541 120.469 119.914 0.023 0.000 3.302 178 V HA 0.236 4.358 4.120 0.005 0.000 0.316 178 V C -0.226 175.886 176.094 0.031 0.000 1.111 178 V CA -0.449 61.870 62.300 0.033 0.000 1.029 178 V CB 1.540 33.386 31.823 0.039 0.000 1.170 178 V HN 0.561 nan 8.190 nan 0.000 0.452 179 D N 2.132 122.559 120.400 0.045 0.000 2.390 179 D HA 0.188 4.831 4.640 0.005 0.000 0.249 179 D C -0.070 176.243 176.300 0.020 0.000 1.144 179 D CA 0.144 54.161 54.000 0.029 0.000 0.880 179 D CB 1.176 42.016 40.800 0.066 0.000 1.182 179 D HN 0.630 nan 8.370 nan 0.000 0.451 180 E N 1.074 121.258 120.200 -0.027 0.000 2.390 180 E HA -0.061 4.292 4.350 0.005 0.000 0.261 180 E C -0.338 176.221 176.600 -0.069 0.000 1.076 180 E CA -0.357 56.023 56.400 -0.033 0.000 0.905 180 E CB 0.578 30.248 29.700 -0.049 0.000 0.984 180 E HN 0.110 nan 8.360 nan 0.000 0.427 181 D N 4.308 124.702 120.400 -0.010 0.000 2.541 181 D HA -0.014 4.628 4.640 0.005 0.000 0.231 181 D C 0.428 176.667 176.300 -0.102 0.000 1.163 181 D CA -0.041 53.977 54.000 0.030 0.000 1.077 181 D CB -0.308 40.557 40.800 0.109 0.000 1.110 181 D HN 0.493 nan 8.370 nan 0.000 0.499 182 I N -0.565 119.776 120.570 -0.382 0.000 3.855 182 I HA 0.109 4.282 4.170 0.005 0.000 0.327 182 I C 0.081 175.966 176.117 -0.387 0.000 1.359 182 I CA -0.218 60.864 61.300 -0.364 0.000 1.142 182 I CB -1.022 36.752 38.000 -0.376 0.000 1.041 182 I HN -0.050 nan 8.210 nan 0.000 0.403 183 F N 2.475 122.428 119.950 0.004 0.000 2.530 183 F HA 0.248 4.776 4.527 0.002 0.000 0.292 183 F C 1.415 177.218 175.800 0.005 0.000 1.109 183 F CA -0.414 57.589 58.000 0.006 0.000 1.450 183 F CB -0.304 38.702 39.000 0.011 0.000 1.114 183 F HN 0.108 nan 8.300 nan 0.000 0.560 184 R N 2.119 122.710 120.500 0.152 0.000 2.485 184 R HA 0.022 4.365 4.340 0.005 0.000 0.304 184 R C -0.242 176.093 176.300 0.059 0.000 0.934 184 R CA 0.018 56.173 56.100 0.091 0.000 1.102 184 R CB -0.184 30.149 30.300 0.055 0.000 0.906 184 R HN 0.128 nan 8.270 nan 0.000 0.407 185 K N 2.333 122.767 120.400 0.057 0.000 2.440 185 K HA -0.090 4.233 4.320 0.005 0.000 0.270 185 K C 0.187 176.798 176.600 0.018 0.000 0.980 185 K CA 0.297 56.608 56.287 0.039 0.000 0.953 185 K CB 0.285 32.807 32.500 0.038 0.000 0.925 185 K HN 0.698 nan 8.250 nan 0.000 0.497 186 K N 0.621 121.025 120.400 0.006 0.000 3.291 186 K HA -0.210 4.112 4.320 0.005 0.000 0.290 186 K C -0.942 175.648 176.600 -0.017 0.000 1.235 186 K CA 0.581 56.864 56.287 -0.006 0.000 0.848 186 K CB -0.437 32.061 32.500 -0.002 0.000 1.295 186 K HN 0.478 nan 8.250 nan 0.000 0.497 187 R N 1.079 121.563 120.500 -0.025 0.000 2.561 187 R HA 0.551 4.894 4.340 0.005 0.000 0.297 187 R C -1.567 174.685 176.300 -0.081 0.000 0.969 187 R CA -0.703 55.370 56.100 -0.045 0.000 0.879 187 R CB 1.237 31.515 30.300 -0.037 0.000 1.178 187 R HN 0.206 nan 8.270 nan 0.000 0.445 188 L N 2.947 124.107 121.223 -0.106 0.000 2.346 188 L HA 0.692 5.034 4.340 0.005 0.000 0.276 188 L C -1.017 175.760 176.870 -0.156 0.000 1.006 188 L CA -0.291 54.438 54.840 -0.185 0.000 0.817 188 L CB 2.434 44.346 42.059 -0.244 0.000 1.272 188 L HN 0.738 nan 8.230 nan 0.000 0.421 189 T N 4.557 119.007 114.554 -0.174 0.000 2.861 189 T HA 0.559 4.912 4.350 0.005 0.000 0.287 189 T C -0.608 174.054 174.700 -0.064 0.000 1.003 189 T CA -0.395 61.644 62.100 -0.101 0.000 0.977 189 T CB 1.810 70.620 68.868 -0.097 0.000 0.996 189 T HN 0.225 nan 8.240 nan 0.000 0.448 190 I N 2.808 123.375 120.570 -0.005 0.000 2.359 190 I HA 0.394 4.567 4.170 0.005 0.000 0.294 190 I C 0.086 176.237 176.117 0.056 0.000 0.987 190 I CA -0.488 60.850 61.300 0.063 0.000 1.225 190 I CB 1.338 39.396 38.000 0.096 0.000 1.366 190 I HN 0.489 nan 8.210 nan 0.000 0.466 191 M N 5.088 124.734 119.600 0.076 0.000 2.060 191 M HA 0.205 4.688 4.480 0.005 0.000 0.342 191 M C -0.354 175.992 176.300 0.076 0.000 1.031 191 M CA -0.618 54.721 55.300 0.065 0.000 0.981 191 M CB 0.668 33.301 32.600 0.055 0.000 1.376 191 M HN 0.405 nan 8.290 nan 0.000 0.397 192 D N 3.838 124.285 120.400 0.077 0.000 2.826 192 D HA 0.087 4.730 4.640 0.005 0.000 0.229 192 D C -0.407 175.959 176.300 0.111 0.000 1.091 192 D CA -0.130 53.909 54.000 0.065 0.000 1.061 192 D CB -0.175 40.666 40.800 0.068 0.000 1.155 192 D HN 0.397 nan 8.370 nan 0.000 0.450 193 L N 2.626 123.905 121.223 0.094 0.000 2.540 193 L HA 0.071 4.414 4.340 0.005 0.000 0.276 193 L C -0.373 176.565 176.870 0.113 0.000 1.212 193 L CA 0.348 55.267 54.840 0.131 0.000 0.893 193 L CB 0.357 42.468 42.059 0.086 0.000 1.138 193 L HN 0.247 nan 8.230 nan 0.000 0.491 194 H N 6.070 125.157 119.070 0.030 0.000 2.690 194 H HA 0.289 4.848 4.556 0.003 0.000 0.289 194 H C -2.114 173.237 175.328 0.039 0.000 1.089 194 H CA -1.855 54.212 56.048 0.031 0.000 1.299 194 H CB 0.557 30.342 29.762 0.039 0.000 1.405 194 H HN 0.564 nan 8.280 nan 0.000 0.463 195 P HA 0.094 nan 4.420 nan 0.000 0.276 195 P C 1.006 178.368 177.300 0.103 0.000 1.235 195 P CA 0.460 63.615 63.100 0.091 0.000 0.772 195 P CB 1.218 32.955 31.700 0.061 0.000 0.871 196 G N 2.337 111.197 108.800 0.100 0.000 2.541 196 G HA2 -0.205 3.758 3.960 0.005 0.000 0.201 196 G HA3 -0.205 3.758 3.960 0.005 0.000 0.201 196 G C 1.103 176.064 174.900 0.101 0.000 1.026 196 G CA 0.350 45.509 45.100 0.099 0.000 0.687 196 G HN 0.606 nan 8.290 nan 0.000 0.492 197 A N 0.488 123.374 122.820 0.111 0.000 1.930 197 A HA 0.571 4.893 4.320 0.005 0.000 0.215 197 A C 2.044 179.679 177.584 0.085 0.000 1.176 197 A CA 2.188 54.285 52.037 0.099 0.000 0.632 197 A CB -0.552 18.501 19.000 0.089 0.000 0.819 197 A HN 2.554 nan 8.150 nan 0.000 0.445 198 G N -1.110 107.741 108.800 0.084 0.000 3.391 198 G HA2 0.226 4.188 3.960 0.005 0.000 0.683 198 G HA3 0.226 4.188 3.960 0.005 0.000 0.683 198 G C -0.417 174.523 174.900 0.067 0.000 1.071 198 G CA 0.272 45.416 45.100 0.073 0.000 0.904 198 G HN 0.903 nan 8.290 nan 0.000 0.452 199 K N -0.054 120.385 120.400 0.065 0.000 9.314 199 K HA 0.012 4.334 4.320 0.005 0.000 1.067 199 K C 1.483 178.116 176.600 0.054 0.000 0.882 199 K CA 0.170 56.496 56.287 0.065 0.000 0.862 199 K CB -0.990 31.551 32.500 0.067 0.000 1.648 199 K HN 0.655 nan 8.250 nan 0.000 0.753 200 T N 1.389 115.972 114.554 0.048 0.000 2.946 200 T HA -0.129 4.224 4.350 0.005 0.000 0.271 200 T C 1.211 175.935 174.700 0.040 0.000 1.104 200 T CA 1.649 63.773 62.100 0.040 0.000 1.114 200 T CB -0.171 68.716 68.868 0.031 0.000 0.867 200 T HN 0.296 nan 8.240 nan 0.000 0.513 201 K N 0.456 120.883 120.400 0.045 0.000 2.057 201 K HA 0.030 4.353 4.320 0.005 0.000 0.206 201 K C 2.518 179.146 176.600 0.046 0.000 1.050 201 K CA 0.863 57.177 56.287 0.046 0.000 0.935 201 K CB 0.030 32.561 32.500 0.052 0.000 0.715 201 K HN 0.174 nan 8.250 nan 0.000 0.439 202 R N 0.120 120.649 120.500 0.050 0.000 2.194 202 R HA 0.192 4.535 4.340 0.005 0.000 0.194 202 R C 2.073 178.403 176.300 0.049 0.000 0.985 202 R CA 0.185 56.315 56.100 0.050 0.000 1.104 202 R CB 0.375 30.706 30.300 0.052 0.000 1.092 202 R HN 0.033 nan 8.270 nan 0.000 0.555 203 I N 0.959 121.559 120.570 0.050 0.000 2.400 203 I HA -0.156 4.017 4.170 0.005 0.000 0.248 203 I C 2.148 178.296 176.117 0.052 0.000 1.109 203 I CA 0.414 61.743 61.300 0.050 0.000 1.425 203 I CB -0.014 38.014 38.000 0.048 0.000 1.094 203 I HN 0.147 nan 8.210 nan 0.000 0.425 204 L N 2.493 123.745 121.223 0.049 0.000 2.027 204 L HA -0.030 4.313 4.340 0.005 0.000 0.206 204 L C -0.507 176.395 176.870 0.053 0.000 1.074 204 L CA 2.143 57.012 54.840 0.049 0.000 0.745 204 L CB -1.473 40.610 42.059 0.040 0.000 0.898 204 L HN 0.053 nan 8.230 nan 0.000 0.433 205 P HA -0.157 nan 4.420 nan 0.000 0.218 205 P C 1.865 179.198 177.300 0.056 0.000 1.149 205 P CA 1.569 64.697 63.100 0.046 0.000 0.817 205 P CB -0.031 31.692 31.700 0.039 0.000 0.785 206 S N 0.087 115.823 115.700 0.060 0.000 2.368 206 S HA -0.149 4.323 4.470 0.005 0.000 0.225 206 S C 1.894 176.556 174.600 0.104 0.000 1.030 206 S CA 1.557 59.799 58.200 0.071 0.000 0.999 206 S CB -0.932 62.307 63.200 0.065 0.000 0.844 206 S HN 0.171 nan 8.310 nan 0.000 0.459 207 I N -0.729 119.912 120.570 0.117 0.000 2.584 207 I HA 0.103 4.276 4.170 0.005 0.000 0.255 207 I C 1.992 178.226 176.117 0.196 0.000 1.145 207 I CA 0.831 62.249 61.300 0.197 0.000 1.462 207 I CB -0.704 37.387 38.000 0.152 0.000 1.102 207 I HN 0.066 nan 8.210 nan 0.000 0.433 208 V N 1.360 121.343 119.914 0.116 0.000 2.261 208 V HA -0.235 3.887 4.120 0.005 0.000 0.246 208 V C 2.869 178.994 176.094 0.052 0.000 1.047 208 V CA 2.220 64.569 62.300 0.081 0.000 1.015 208 V CB -0.823 31.033 31.823 0.055 0.000 0.642 208 V HN 0.411 nan 8.190 nan 0.000 0.446 209 R N -0.233 120.295 120.500 0.048 0.000 2.112 209 R HA -0.274 4.069 4.340 0.005 0.000 0.242 209 R C 2.375 178.675 176.300 -0.000 0.000 1.137 209 R CA 2.179 58.294 56.100 0.025 0.000 0.944 209 R CB -0.425 29.893 30.300 0.031 0.000 0.857 209 R HN 0.464 nan 8.270 nan 0.000 0.435 210 E N 0.361 120.575 120.200 0.023 0.000 2.160 210 E HA -0.149 4.204 4.350 0.005 0.000 0.195 210 E C 1.696 178.134 176.600 -0.270 0.000 0.991 210 E CA 1.468 57.837 56.400 -0.051 0.000 0.810 210 E CB -0.124 29.644 29.700 0.114 0.000 0.742 210 E HN 0.387 nan 8.360 nan 0.000 0.466 211 A N 0.269 122.975 122.820 -0.190 0.000 1.858 211 A HA -0.146 4.177 4.320 0.005 0.000 0.216 211 A C 2.280 179.765 177.584 -0.165 0.000 1.190 211 A CA 1.471 53.359 52.037 -0.248 0.000 0.617 211 A CB -0.840 18.150 19.000 -0.016 0.000 0.827 211 A HN 0.331 nan 8.150 nan 0.000 0.443 212 L N -0.659 120.517 121.223 -0.080 0.000 2.079 212 L HA -0.230 4.113 4.340 0.005 0.000 0.210 212 L C 2.617 179.445 176.870 -0.069 0.000 1.081 212 L CA 1.980 56.789 54.840 -0.052 0.000 0.752 212 L CB -0.349 41.697 42.059 -0.022 0.000 0.896 212 L HN 0.464 nan 8.230 nan 0.000 0.433 213 K N 0.305 120.651 120.400 -0.090 0.000 2.097 213 K HA -0.150 4.173 4.320 0.005 0.000 0.206 213 K C 2.016 178.549 176.600 -0.111 0.000 1.049 213 K CA 1.266 57.502 56.287 -0.086 0.000 0.933 213 K CB 0.072 32.523 32.500 -0.082 0.000 0.717 213 K HN 0.164 nan 8.250 nan 0.000 0.442 214 R N 0.324 120.714 120.500 -0.183 0.000 2.313 214 R HA 0.165 4.508 4.340 0.005 0.000 0.199 214 R C -0.338 175.892 176.300 -0.118 0.000 0.958 214 R CA 0.053 56.041 56.100 -0.186 0.000 1.047 214 R CB 0.113 30.207 30.300 -0.343 0.000 0.955 214 R HN 0.156 nan 8.270 nan 0.000 0.481 215 R N 0.795 121.242 120.500 -0.088 0.000 3.264 215 R HA -0.181 4.161 4.340 0.005 0.000 0.251 215 R C -0.931 175.353 176.300 -0.026 0.000 0.971 215 R CA 0.558 56.632 56.100 -0.045 0.000 0.658 215 R CB -2.137 28.145 30.300 -0.031 0.000 1.095 215 R HN 0.240 nan 8.270 nan 0.000 0.443 216 L N 0.717 121.924 121.223 -0.027 0.000 2.322 216 L HA 0.411 4.754 4.340 0.005 0.000 0.279 216 L C 0.879 177.785 176.870 0.060 0.000 1.036 216 L CA -0.861 53.988 54.840 0.014 0.000 0.807 216 L CB 1.275 43.340 42.059 0.011 0.000 1.226 216 L HN 0.023 nan 8.230 nan 0.000 0.433 217 R N 1.560 122.115 120.500 0.092 0.000 2.402 217 R HA 0.177 4.520 4.340 0.005 0.000 0.331 217 R C -0.584 175.896 176.300 0.300 0.000 1.040 217 R CA 0.064 56.257 56.100 0.156 0.000 0.980 217 R CB -0.119 30.228 30.300 0.079 0.000 0.967 217 R HN 0.528 nan 8.270 nan 0.000 0.440 218 T N 3.707 118.418 114.554 0.261 0.000 2.859 218 T HA 0.424 4.777 4.350 0.005 0.000 0.281 218 T C -0.392 174.321 174.700 0.021 0.000 1.005 218 T CA -0.674 61.514 62.100 0.146 0.000 1.025 218 T CB 1.468 70.383 68.868 0.078 0.000 0.977 218 T HN 0.317 nan 8.240 nan 0.000 0.458 219 L N 3.704 124.781 121.223 -0.243 0.000 2.385 219 L HA 0.577 4.919 4.340 0.005 0.000 0.273 219 L C -1.413 175.278 176.870 -0.299 0.000 0.990 219 L CA -1.086 53.447 54.840 -0.512 0.000 0.821 219 L CB 1.254 42.640 42.059 -1.122 0.000 1.279 219 L HN 0.491 nan 8.230 nan 0.000 0.412 220 I N 5.738 126.180 120.570 -0.213 0.000 2.377 220 I HA 0.388 4.561 4.170 0.005 0.000 0.293 220 I C -0.335 175.687 176.117 -0.158 0.000 0.987 220 I CA -0.560 60.658 61.300 -0.137 0.000 1.185 220 I CB 1.598 39.571 38.000 -0.045 0.000 1.341 220 I HN 0.486 nan 8.210 nan 0.000 0.455 221 L N 5.610 126.732 121.223 -0.170 0.000 2.316 221 L HA 0.674 5.017 4.340 0.005 0.000 0.280 221 L C 0.057 176.979 176.870 0.086 0.000 1.006 221 L CA -0.484 54.261 54.840 -0.158 0.000 0.836 221 L CB 1.690 43.467 42.059 -0.470 0.000 1.221 221 L HN 0.713 nan 8.230 nan 0.000 0.418 222 A N 5.503 128.451 122.820 0.214 0.000 2.330 222 A HA 0.749 5.071 4.320 0.005 0.000 0.327 222 A C -1.960 175.658 177.584 0.058 0.000 1.155 222 A CA -1.533 50.604 52.037 0.166 0.000 0.803 222 A CB 1.192 20.225 19.000 0.056 0.000 1.208 222 A HN 0.470 nan 8.150 nan 0.000 0.477 223 P HA -0.090 nan 4.420 nan 0.000 0.212 223 P C 0.966 178.110 177.300 -0.259 0.000 1.180 223 P CA 2.050 64.763 63.100 -0.645 0.000 0.906 223 P CB -0.304 30.945 31.700 -0.753 0.000 0.782 224 T N -3.774 110.646 114.554 -0.222 0.000 2.897 224 T HA 0.385 4.738 4.350 0.005 0.000 0.278 224 T C 1.274 175.967 174.700 -0.012 0.000 0.981 224 T CA -0.574 61.471 62.100 -0.091 0.000 0.973 224 T CB 1.834 70.656 68.868 -0.076 0.000 1.092 224 T HN -0.154 nan 8.240 nan 0.000 0.543 225 R N 0.496 121.015 120.500 0.033 0.000 2.062 225 R HA -0.019 4.324 4.340 0.005 0.000 0.229 225 R C 2.317 178.581 176.300 -0.059 0.000 1.128 225 R CA 2.278 58.381 56.100 0.004 0.000 0.960 225 R CB -1.665 28.654 30.300 0.033 0.000 0.855 225 R HN 0.686 nan 8.270 nan 0.000 0.432 226 V N -1.199 118.705 119.914 -0.017 0.000 2.867 226 V HA -0.086 4.037 4.120 0.005 0.000 0.260 226 V C 1.972 178.035 176.094 -0.051 0.000 1.099 226 V CA 1.667 63.946 62.300 -0.035 0.000 1.122 226 V CB -0.649 31.159 31.823 -0.025 0.000 0.708 226 V HN 0.122 nan 8.190 nan 0.000 0.490 227 V N 0.881 120.756 119.914 -0.064 0.000 2.407 227 V HA -0.029 4.094 4.120 0.005 0.000 0.245 227 V C 3.070 179.130 176.094 -0.057 0.000 1.041 227 V CA 1.899 64.156 62.300 -0.073 0.000 1.040 227 V CB -0.924 30.835 31.823 -0.107 0.000 0.671 227 V HN 0.625 nan 8.190 nan 0.000 0.455 228 A N 0.122 122.904 122.820 -0.063 0.000 1.972 228 A HA -0.126 4.197 4.320 0.005 0.000 0.219 228 A C 2.370 179.878 177.584 -0.126 0.000 1.169 228 A CA 2.001 53.998 52.037 -0.067 0.000 0.635 228 A CB -0.676 18.295 19.000 -0.048 0.000 0.810 228 A HN 0.567 nan 8.150 nan 0.000 0.446 229 A N -0.439 122.284 122.820 -0.161 0.000 2.015 229 A HA -0.127 4.196 4.320 0.005 0.000 0.219 229 A C 1.876 179.417 177.584 -0.071 0.000 1.163 229 A CA 1.601 53.548 52.037 -0.149 0.000 0.646 229 A CB -0.372 18.546 19.000 -0.136 0.000 0.806 229 A HN 0.637 nan 8.150 nan 0.000 0.448 230 E N -1.060 119.113 120.200 -0.044 0.000 2.230 230 E HA 0.003 4.356 4.350 0.005 0.000 0.192 230 E C 1.950 178.544 176.600 -0.009 0.000 0.987 230 E CA 0.626 57.018 56.400 -0.014 0.000 0.841 230 E CB -0.127 29.576 29.700 0.005 0.000 0.783 230 E HN 0.643 nan 8.360 nan 0.000 0.481 231 M N 0.360 119.951 119.600 -0.016 0.000 2.099 231 M HA -0.156 4.327 4.480 0.005 0.000 0.262 231 M C 2.038 178.337 176.300 -0.002 0.000 1.067 231 M CA 1.339 56.638 55.300 -0.002 0.000 1.124 231 M CB -0.031 32.571 32.600 0.002 0.000 1.353 231 M HN 0.046 nan 8.290 nan 0.000 0.410 232 E N 0.410 120.599 120.200 -0.018 0.000 2.086 232 E HA -0.298 4.055 4.350 0.005 0.000 0.200 232 E C 1.756 178.354 176.600 -0.004 0.000 1.012 232 E CA 2.065 58.458 56.400 -0.013 0.000 0.812 232 E CB -0.070 29.603 29.700 -0.044 0.000 0.743 232 E HN 0.582 nan 8.360 nan 0.000 0.453 233 E N 0.411 120.607 120.200 -0.007 0.000 2.112 233 E HA -0.029 4.324 4.350 0.005 0.000 0.190 233 E C 1.806 178.411 176.600 0.008 0.000 0.979 233 E CA 1.117 57.517 56.400 0.000 0.000 0.814 233 E CB -0.327 29.372 29.700 -0.002 0.000 0.762 233 E HN 0.173 nan 8.360 nan 0.000 0.460 234 A N 0.250 123.077 122.820 0.011 0.000 2.125 234 A HA 0.007 4.329 4.320 0.005 0.000 0.219 234 A C 1.386 178.982 177.584 0.020 0.000 1.156 234 A CA 0.996 53.044 52.037 0.018 0.000 0.671 234 A CB -0.209 18.803 19.000 0.021 0.000 0.794 234 A HN 0.286 nan 8.150 nan 0.000 0.459 235 L N -0.455 120.779 121.223 0.018 0.000 3.209 235 L HA 0.274 4.617 4.340 0.005 0.000 0.279 235 L C 0.713 177.593 176.870 0.018 0.000 1.301 235 L CA -0.035 54.818 54.840 0.020 0.000 1.004 235 L CB 0.062 42.136 42.059 0.024 0.000 1.402 235 L HN 0.226 nan 8.230 nan 0.000 0.577 236 R N -0.239 120.269 120.500 0.014 0.000 2.623 236 R HA 0.366 4.708 4.340 0.005 0.000 0.271 236 R C 1.259 177.567 176.300 0.012 0.000 1.043 236 R CA 1.220 57.327 56.100 0.012 0.000 1.083 236 R CB 0.470 30.774 30.300 0.008 0.000 0.974 236 R HN 0.490 nan 8.270 nan 0.000 0.436 237 G N 2.798 111.604 108.800 0.011 0.000 2.420 237 G HA2 -0.254 3.709 3.960 0.005 0.000 0.221 237 G HA3 -0.254 3.709 3.960 0.005 0.000 0.221 237 G C 0.019 174.927 174.900 0.012 0.000 1.117 237 G CA -0.357 44.749 45.100 0.010 0.000 0.657 237 G HN 0.434 nan 8.290 nan 0.000 0.512 238 L N 2.967 124.200 121.223 0.015 0.000 2.485 238 L HA 0.262 4.605 4.340 0.005 0.000 0.275 238 L C -1.478 175.403 176.870 0.019 0.000 1.207 238 L CA -0.519 54.331 54.840 0.017 0.000 0.855 238 L CB -0.183 41.889 42.059 0.021 0.000 1.114 238 L HN 0.199 nan 8.230 nan 0.000 0.485 239 P HA 0.205 nan 4.420 nan 0.000 0.252 239 P C -0.646 176.670 177.300 0.026 0.000 1.727 239 P CA -0.069 63.042 63.100 0.018 0.000 1.134 239 P CB -0.339 31.368 31.700 0.012 0.000 1.876 240 I N -0.751 119.839 120.570 0.033 0.000 2.466 240 I HA 0.597 4.770 4.170 0.005 0.000 0.289 240 I C -0.402 175.750 176.117 0.060 0.000 1.026 240 I CA -1.423 59.905 61.300 0.045 0.000 1.078 240 I CB 2.876 40.903 38.000 0.046 0.000 1.249 240 I HN -0.066 nan 8.210 nan 0.000 0.429 241 R N 4.802 125.342 120.500 0.067 0.000 2.310 241 R HA 0.353 4.696 4.340 0.005 0.000 0.324 241 R C -1.358 175.011 176.300 0.115 0.000 0.955 241 R CA -0.731 55.416 56.100 0.079 0.000 0.830 241 R CB 1.149 31.478 30.300 0.047 0.000 1.154 241 R HN 0.741 nan 8.270 nan 0.000 0.458 242 Y N 3.155 123.464 120.300 0.016 0.000 2.497 242 Y HA 0.033 4.587 4.550 0.007 0.000 0.334 242 Y C -0.609 175.305 175.900 0.023 0.000 1.199 242 Y CA 0.274 58.384 58.100 0.017 0.000 1.425 242 Y CB 0.941 39.410 38.460 0.015 0.000 1.291 242 Y HN 0.442 nan 8.280 nan 0.000 0.562 243 Q N 5.167 124.526 119.800 -0.734 0.000 2.413 243 Q HA 0.217 4.560 4.340 0.005 0.000 0.258 243 Q C -0.444 175.111 176.000 -0.741 0.000 1.037 243 Q CA -0.483 55.003 55.803 -0.528 0.000 0.764 243 Q CB 1.036 29.634 28.738 -0.233 0.000 1.217 243 Q HN 0.758 nan 8.270 nan 0.000 0.490 244 T N 4.534 118.789 114.554 -0.500 0.000 2.933 244 T HA 0.014 4.367 4.350 0.005 0.000 0.306 244 T C -1.212 173.380 174.700 -0.180 0.000 1.045 244 T CA -0.563 61.369 62.100 -0.279 0.000 1.143 244 T CB 0.272 69.081 68.868 -0.100 0.000 1.003 244 T HN 0.357 nan 8.240 nan 0.000 0.540 245 P HA -0.010 nan 4.420 nan 0.000 0.223 245 P C 0.951 178.220 177.300 -0.052 0.000 1.151 245 P CA 0.538 63.599 63.100 -0.064 0.000 0.787 245 P CB 0.007 31.693 31.700 -0.024 0.000 0.788 246 A N -0.219 122.577 122.820 -0.040 0.000 2.258 246 A HA 0.190 4.513 4.320 0.005 0.000 0.206 246 A C 0.709 178.272 177.584 -0.036 0.000 1.222 246 A CA 0.360 52.378 52.037 -0.032 0.000 0.822 246 A CB -0.719 18.273 19.000 -0.014 0.000 0.804 246 A HN 0.090 nan 8.150 nan 0.000 0.483 247 V N -0.176 119.710 119.914 -0.045 0.000 2.531 247 V HA 0.170 4.293 4.120 0.005 0.000 0.301 247 V C 0.677 176.749 176.094 -0.037 0.000 1.034 247 V CA -0.639 61.639 62.300 -0.038 0.000 0.865 247 V CB 1.772 33.572 31.823 -0.038 0.000 0.995 247 V HN 0.501 nan 8.190 nan 0.000 0.424 248 K N 2.206 122.587 120.400 -0.032 0.000 2.155 248 K HA 0.077 4.400 4.320 0.005 0.000 0.203 248 K C 0.544 177.135 176.600 -0.016 0.000 1.052 248 K CA 1.167 57.433 56.287 -0.034 0.000 0.948 248 K CB 0.232 32.708 32.500 -0.040 0.000 0.728 248 K HN 0.794 nan 8.250 nan 0.000 0.448 249 S N 0.024 115.723 115.700 -0.002 0.000 2.558 249 S HA 0.274 4.746 4.470 0.005 0.000 0.277 249 S C -2.167 172.453 174.600 0.033 0.000 1.143 249 S CA -1.265 56.948 58.200 0.022 0.000 0.865 249 S CB 2.011 65.222 63.200 0.019 0.000 1.102 249 S HN 0.027 nan 8.310 nan 0.000 0.454 250 D N -0.098 120.336 120.400 0.057 0.000 2.896 250 D HA 0.603 5.245 4.640 0.005 0.000 0.241 250 D C -1.469 174.902 176.300 0.119 0.000 1.188 250 D CA 0.015 54.053 54.000 0.063 0.000 0.879 250 D CB 1.624 42.441 40.800 0.030 0.000 1.553 250 D HN 0.792 nan 8.370 nan 0.000 0.515 251 H N 1.257 120.327 119.070 -0.000 0.000 3.018 251 H HA 0.406 4.965 4.556 0.005 0.000 0.334 251 H C -0.315 175.011 175.328 -0.003 0.000 0.983 251 H CA -0.436 55.609 56.048 -0.006 0.000 1.363 251 H CB 1.565 31.316 29.762 -0.018 0.000 1.668 251 H HN 0.227 nan 8.280 nan 0.000 0.513 252 T N 2.123 116.404 114.554 -0.454 0.000 3.039 252 T HA 0.215 4.568 4.350 0.005 0.000 0.250 252 T C 1.433 175.851 174.700 -0.469 0.000 1.052 252 T CA 0.299 62.194 62.100 -0.342 0.000 1.125 252 T CB 0.062 68.833 68.868 -0.162 0.000 0.908 252 T HN 0.997 nan 8.240 nan 0.000 0.473 253 G N 3.330 111.723 108.800 -0.679 0.000 2.291 253 G HA2 -0.227 3.736 3.960 0.005 0.000 0.271 253 G HA3 -0.227 3.736 3.960 0.005 0.000 0.271 253 G C -0.045 174.767 174.900 -0.146 0.000 1.099 253 G CA 0.157 45.034 45.100 -0.371 0.000 0.919 253 G HN 0.851 nan 8.290 nan 0.000 0.496 254 R N -1.621 118.808 120.500 -0.117 0.000 2.810 254 R HA 0.617 4.960 4.340 0.005 0.000 0.266 254 R C 0.054 176.334 176.300 -0.032 0.000 1.061 254 R CA -0.706 55.360 56.100 -0.056 0.000 0.943 254 R CB 0.544 30.814 30.300 -0.050 0.000 1.237 254 R HN 0.285 nan 8.270 nan 0.000 0.459 255 E N 1.398 121.588 120.200 -0.017 0.000 1.800 255 E HA 0.197 4.550 4.350 0.005 0.000 0.262 255 E C -0.777 175.826 176.600 0.004 0.000 1.219 255 E CA 0.011 56.409 56.400 -0.004 0.000 1.051 255 E CB -0.197 29.500 29.700 -0.005 0.000 1.074 255 E HN 0.306 nan 8.360 nan 0.000 0.433 256 I N 2.667 123.244 120.570 0.013 0.000 2.582 256 I HA 0.176 4.349 4.170 0.005 0.000 0.292 256 I C -0.976 175.174 176.117 0.055 0.000 1.066 256 I CA -1.068 60.247 61.300 0.025 0.000 1.053 256 I CB 2.485 40.492 38.000 0.011 0.000 1.241 256 I HN 0.245 nan 8.210 nan 0.000 0.421 257 V N 5.419 125.366 119.914 0.055 0.000 2.350 257 V HA 0.335 4.458 4.120 0.005 0.000 0.276 257 V C -0.486 175.647 176.094 0.065 0.000 1.028 257 V CA -0.843 61.496 62.300 0.066 0.000 0.860 257 V CB 1.213 33.062 31.823 0.044 0.000 0.990 257 V HN 0.551 nan 8.190 nan 0.000 0.453 258 D N 4.196 124.647 120.400 0.086 0.000 2.390 258 D HA 0.313 4.956 4.640 0.005 0.000 0.249 258 D C -0.333 175.962 176.300 -0.008 0.000 1.144 258 D CA 0.014 54.047 54.000 0.056 0.000 0.880 258 D CB 2.165 43.032 40.800 0.111 0.000 1.182 258 D HN 0.352 nan 8.370 nan 0.000 0.451 259 L N 3.924 125.169 121.223 0.037 0.000 2.333 259 L HA 0.542 4.884 4.340 0.005 0.000 0.280 259 L C -0.772 176.167 176.870 0.116 0.000 1.004 259 L CA -0.397 54.484 54.840 0.069 0.000 0.820 259 L CB 1.227 43.366 42.059 0.134 0.000 1.247 259 L HN 0.444 nan 8.230 nan 0.000 0.416 260 M N 3.208 122.854 119.600 0.076 0.000 2.721 260 M HA 0.557 5.039 4.480 0.005 0.000 0.271 260 M C -1.217 175.181 176.300 0.162 0.000 1.259 260 M CA -0.660 54.699 55.300 0.099 0.000 0.835 260 M CB 1.462 34.047 32.600 -0.024 0.000 1.689 260 M HN 0.426 nan 8.290 nan 0.000 0.470 261 C N 1.483 120.905 119.300 0.202 0.000 2.657 261 C HA 0.224 4.687 4.460 0.005 0.000 0.404 261 C C 1.847 176.980 174.990 0.239 0.000 1.291 261 C CA -0.046 59.101 59.018 0.216 0.000 2.218 261 C CB -0.470 27.374 27.740 0.174 0.000 2.687 261 C HN 0.913 nan 8.230 nan 0.000 0.634 262 H N 1.266 120.366 119.070 0.050 0.000 2.353 262 H HA -0.196 4.362 4.556 0.004 0.000 0.298 262 H C 2.140 177.490 175.328 0.036 0.000 1.103 262 H CA 1.523 57.600 56.048 0.047 0.000 1.293 262 H CB 0.008 29.784 29.762 0.023 0.000 1.372 262 H HN 0.825 nan 8.280 nan 0.000 0.501 263 A N 0.597 123.495 122.820 0.129 0.000 2.015 263 A HA -0.138 4.185 4.320 0.005 0.000 0.219 263 A C 2.451 180.040 177.584 0.009 0.000 1.163 263 A CA 1.691 53.737 52.037 0.015 0.000 0.646 263 A CB -0.652 18.335 19.000 -0.021 0.000 0.806 263 A HN 0.322 nan 8.150 nan 0.000 0.448 264 T N -0.653 113.935 114.554 0.056 0.000 2.708 264 T HA -0.112 4.240 4.350 0.005 0.000 0.266 264 T C 1.610 176.354 174.700 0.073 0.000 1.037 264 T CA 1.515 63.636 62.100 0.036 0.000 1.146 264 T CB -0.394 68.491 68.868 0.028 0.000 0.865 264 T HN 0.451 nan 8.240 nan 0.000 0.435 265 F N 2.720 122.628 119.950 -0.070 0.000 2.065 265 F HA -0.207 4.324 4.527 0.007 0.000 0.298 265 F C 2.670 178.392 175.800 -0.129 0.000 1.112 265 F CA 2.000 59.942 58.000 -0.097 0.000 1.212 265 F CB -1.216 37.715 39.000 -0.115 0.000 0.975 265 F HN 0.271 nan 8.300 nan 0.000 0.476 266 T N -2.748 111.670 114.554 -0.226 0.000 2.821 266 T HA -0.154 4.199 4.350 0.005 0.000 0.267 266 T C 1.953 176.485 174.700 -0.281 0.000 1.046 266 T CA 1.748 63.630 62.100 -0.362 0.000 1.139 266 T CB -1.455 67.271 68.868 -0.238 0.000 0.871 266 T HN 0.421 nan 8.240 nan 0.000 0.454 267 T N 0.214 114.656 114.554 -0.186 0.000 2.915 267 T HA 0.038 4.391 4.350 0.005 0.000 0.269 267 T C 2.094 176.696 174.700 -0.164 0.000 1.071 267 T CA 0.480 62.476 62.100 -0.173 0.000 1.132 267 T CB -0.303 68.483 68.868 -0.137 0.000 0.878 267 T HN 0.351 nan 8.240 nan 0.000 0.479 268 R N 0.682 121.093 120.500 -0.148 0.000 2.062 268 R HA 0.182 4.525 4.340 0.005 0.000 0.231 268 R C 2.562 178.752 176.300 -0.183 0.000 1.136 268 R CA 1.197 57.225 56.100 -0.120 0.000 0.948 268 R CB -0.676 29.605 30.300 -0.033 0.000 0.845 268 R HN 0.360 nan 8.270 nan 0.000 0.430 269 L N 0.882 121.912 121.223 -0.322 0.000 2.189 269 L HA -0.230 4.113 4.340 0.005 0.000 0.214 269 L C 2.315 179.016 176.870 -0.280 0.000 1.097 269 L CA 1.156 55.756 54.840 -0.400 0.000 0.764 269 L CB -0.361 41.254 42.059 -0.740 0.000 0.900 269 L HN 0.231 nan 8.230 nan 0.000 0.436 270 L N -1.685 119.388 121.223 -0.250 0.000 2.068 270 L HA -0.111 4.232 4.340 0.005 0.000 0.204 270 L C 2.595 179.359 176.870 -0.177 0.000 1.076 270 L CA 0.930 55.647 54.840 -0.205 0.000 0.753 270 L CB -0.258 41.681 42.059 -0.200 0.000 0.910 270 L HN 0.152 nan 8.230 nan 0.000 0.439 271 S N -1.139 114.467 115.700 -0.157 0.000 2.325 271 S HA -0.072 4.401 4.470 0.005 0.000 0.214 271 S C 1.064 175.604 174.600 -0.101 0.000 1.031 271 S CA 0.432 58.556 58.200 -0.126 0.000 0.972 271 S CB -0.103 63.029 63.200 -0.113 0.000 0.908 271 S HN 0.284 nan 8.310 nan 0.000 0.453 272 S N 0.539 116.187 115.700 -0.088 0.000 2.584 272 S HA 0.255 4.728 4.470 0.005 0.000 0.273 272 S C 0.884 175.450 174.600 -0.056 0.000 1.311 272 S CA -0.343 57.821 58.200 -0.060 0.000 1.034 272 S CB 1.260 64.434 63.200 -0.043 0.000 0.939 272 S HN 0.316 nan 8.310 nan 0.000 0.513 273 T N 2.977 117.511 114.554 -0.034 0.000 3.129 273 T HA 0.160 4.513 4.350 0.005 0.000 0.251 273 T C 0.688 175.383 174.700 -0.008 0.000 1.117 273 T CA 0.212 62.304 62.100 -0.013 0.000 1.034 273 T CB -0.210 68.662 68.868 0.005 0.000 0.968 273 T HN 0.535 nan 8.240 nan 0.000 0.526 274 R N 1.975 122.463 120.500 -0.020 0.000 4.496 274 R HA 0.204 4.547 4.340 0.005 0.000 0.211 274 R C 0.041 176.332 176.300 -0.015 0.000 1.738 274 R CA -0.196 55.887 56.100 -0.027 0.000 1.528 274 R CB -0.009 30.266 30.300 -0.041 0.000 1.414 274 R HN 0.199 nan 8.270 nan 0.000 0.812 275 V N 3.350 123.270 119.914 0.009 0.000 2.442 275 V HA 0.042 4.165 4.120 0.005 0.000 0.272 275 V C -2.150 173.960 176.094 0.026 0.000 0.989 275 V CA -1.228 61.105 62.300 0.055 0.000 1.123 275 V CB -0.154 31.737 31.823 0.114 0.000 1.008 275 V HN 0.333 nan 8.190 nan 0.000 0.469 276 P HA 0.277 nan 4.420 nan 0.000 0.276 276 P C -0.586 176.576 177.300 -0.230 0.000 1.235 276 P CA -0.008 62.959 63.100 -0.222 0.000 0.772 276 P CB 0.190 31.624 31.700 -0.443 0.000 0.871 277 N N 2.399 120.996 118.700 -0.171 0.000 3.178 277 N HA 0.076 4.818 4.740 0.005 0.000 0.300 277 N C -0.434 175.053 175.510 -0.040 0.000 1.242 277 N CA -0.352 52.676 53.050 -0.037 0.000 1.192 277 N CB -0.532 37.951 38.487 -0.008 0.000 1.463 277 N HN 0.466 nan 8.380 nan 0.000 0.539 278 Y N 1.055 121.417 120.300 0.105 0.000 2.702 278 Y HA -0.102 4.451 4.550 0.005 0.000 0.336 278 Y C 1.727 177.668 175.900 0.067 0.000 1.235 278 Y CA 0.143 58.288 58.100 0.076 0.000 1.492 278 Y CB 0.308 38.805 38.460 0.062 0.000 1.308 278 Y HN 0.482 nan 8.280 nan 0.000 0.589 279 N N 1.788 120.614 118.700 0.210 0.000 2.187 279 N HA 0.205 4.948 4.740 0.005 0.000 0.212 279 N C -0.934 174.660 175.510 0.140 0.000 1.152 279 N CA -0.083 53.051 53.050 0.141 0.000 0.872 279 N CB 0.758 39.303 38.487 0.096 0.000 1.025 279 N HN 0.406 nan 8.380 nan 0.000 0.514 280 L N 1.037 122.356 121.223 0.159 0.000 2.436 280 L HA 0.596 4.938 4.340 0.005 0.000 0.268 280 L C -1.917 174.983 176.870 0.050 0.000 0.974 280 L CA -0.567 54.348 54.840 0.125 0.000 0.826 280 L CB 2.209 44.365 42.059 0.161 0.000 1.291 280 L HN -0.005 nan 8.230 nan 0.000 0.406 281 I N 5.357 125.935 120.570 0.013 0.000 2.500 281 I HA 0.411 4.584 4.170 0.005 0.000 0.286 281 I C -1.093 175.009 176.117 -0.026 0.000 1.063 281 I CA -0.580 60.669 61.300 -0.085 0.000 1.062 281 I CB 2.202 40.139 38.000 -0.106 0.000 1.223 281 I HN 0.210 nan 8.210 nan 0.000 0.435 282 V N 6.794 126.668 119.914 -0.066 0.000 2.311 282 V HA 0.385 4.508 4.120 0.005 0.000 0.275 282 V C 0.055 176.105 176.094 -0.075 0.000 1.022 282 V CA -0.447 61.844 62.300 -0.016 0.000 0.830 282 V CB 1.339 33.161 31.823 -0.002 0.000 1.012 282 V HN 0.720 nan 8.190 nan 0.000 0.452 283 M N 4.227 123.784 119.600 -0.072 0.000 2.063 283 M HA 0.450 4.933 4.480 0.005 0.000 0.348 283 M C -0.555 175.683 176.300 -0.103 0.000 1.180 283 M CA -0.412 54.754 55.300 -0.225 0.000 1.059 283 M CB 0.775 33.055 32.600 -0.534 0.000 1.544 283 M HN 0.642 nan 8.290 nan 0.000 0.447 284 D N 4.598 124.993 120.400 -0.010 0.000 2.304 284 D HA 0.102 4.744 4.640 0.005 0.000 0.250 284 D C -0.441 175.884 176.300 0.042 0.000 1.107 284 D CA 0.878 54.896 54.000 0.031 0.000 0.885 284 D CB 0.741 41.559 40.800 0.029 0.000 1.192 284 D HN 0.671 nan 8.370 nan 0.000 0.436 285 E N 1.761 121.967 120.200 0.011 0.000 2.257 285 E HA -0.192 4.161 4.350 0.005 0.000 0.217 285 E C -0.304 176.197 176.600 -0.166 0.000 1.248 285 E CA 0.720 57.072 56.400 -0.080 0.000 0.691 285 E CB -1.971 27.572 29.700 -0.261 0.000 1.185 285 E HN 0.490 nan 8.360 nan 0.000 0.377 286 A N 0.485 123.276 122.820 -0.049 0.000 2.268 286 A HA 0.078 4.401 4.320 0.005 0.000 0.221 286 A C 1.239 178.812 177.584 -0.017 0.000 1.287 286 A CA 0.879 52.817 52.037 -0.166 0.000 0.902 286 A CB -0.783 17.932 19.000 -0.476 0.000 0.877 286 A HN 0.581 nan 8.150 nan 0.000 0.487 287 H N -4.833 114.264 119.070 0.046 0.000 2.705 287 H HA 0.347 4.905 4.556 0.004 0.000 0.269 287 H C 0.399 175.814 175.328 0.146 0.000 0.998 287 H CA -0.719 55.384 56.048 0.091 0.000 1.193 287 H CB -0.324 29.471 29.762 0.055 0.000 1.485 287 H HN 0.368 nan 8.280 nan 0.000 0.521 288 F N 3.774 123.476 119.950 -0.413 0.000 2.593 288 F HA -0.078 4.453 4.527 0.006 0.000 0.393 288 F C 0.768 176.458 175.800 -0.184 0.000 1.037 288 F CA 0.349 58.160 58.000 -0.316 0.000 1.195 288 F CB 0.860 39.637 39.000 -0.372 0.000 1.034 288 F HN 0.366 nan 8.300 nan 0.000 0.552 289 T N 0.401 114.956 114.554 0.001 0.000 3.186 289 T HA 0.058 4.411 4.350 0.005 0.000 0.257 289 T C -0.040 174.283 174.700 -0.629 0.000 1.029 289 T CA -0.579 61.343 62.100 -0.296 0.000 0.916 289 T CB -0.388 68.337 68.868 -0.240 0.000 1.041 289 T HN 0.526 nan 8.240 nan 0.000 0.562 290 D N 3.081 122.879 120.400 -1.004 0.000 2.455 290 D HA 0.128 4.771 4.640 0.005 0.000 0.241 290 D C -0.831 174.908 176.300 -0.936 0.000 1.138 290 D CA -1.811 51.448 54.000 -1.236 0.000 0.877 290 D CB 1.301 41.026 40.800 -1.792 0.000 1.187 290 D HN 0.004 nan 8.370 nan 0.000 0.451 291 P HA -0.198 nan 4.420 nan 0.000 0.215 291 P C 1.388 178.468 177.300 -0.368 0.000 1.153 291 P CA 0.794 63.560 63.100 -0.558 0.000 0.853 291 P CB -0.053 31.386 31.700 -0.435 0.000 0.788 292 C N 0.021 119.105 119.300 -0.361 0.000 2.385 292 C HA -0.140 4.323 4.460 0.005 0.000 0.275 292 C C 3.103 177.983 174.990 -0.184 0.000 1.207 292 C CA 2.035 60.908 59.018 -0.242 0.000 1.760 292 C CB -1.704 25.906 27.740 -0.215 0.000 2.051 292 C HN 0.317 nan 8.230 nan 0.000 0.467 293 S N 0.303 115.847 115.700 -0.259 0.000 2.368 293 S HA -0.130 4.343 4.470 0.005 0.000 0.224 293 S C 1.796 176.344 174.600 -0.086 0.000 1.029 293 S CA 1.543 59.684 58.200 -0.099 0.000 0.988 293 S CB -0.451 62.671 63.200 -0.130 0.000 0.838 293 S HN 0.507 nan 8.310 nan 0.000 0.462 294 V N 2.515 122.341 119.914 -0.146 0.000 2.287 294 V HA -0.240 3.883 4.120 0.005 0.000 0.248 294 V C 2.792 178.912 176.094 0.043 0.000 1.053 294 V CA 1.757 64.049 62.300 -0.013 0.000 1.027 294 V CB -1.443 30.355 31.823 -0.042 0.000 0.646 294 V HN 0.554 nan 8.190 nan 0.000 0.447 295 A N 0.183 122.990 122.820 -0.022 0.000 1.873 295 A HA -0.217 4.106 4.320 0.005 0.000 0.218 295 A C 2.475 180.088 177.584 0.048 0.000 1.193 295 A CA 2.593 54.632 52.037 0.004 0.000 0.629 295 A CB -1.043 17.918 19.000 -0.065 0.000 0.826 295 A HN 0.620 nan 8.150 nan 0.000 0.447 296 A N -0.321 122.512 122.820 0.023 0.000 1.892 296 A HA -0.242 4.081 4.320 0.005 0.000 0.218 296 A C 2.251 179.956 177.584 0.201 0.000 1.188 296 A CA 1.806 53.915 52.037 0.120 0.000 0.631 296 A CB -0.578 18.498 19.000 0.126 0.000 0.822 296 A HN 0.572 nan 8.150 nan 0.000 0.447 297 R N -1.021 119.535 120.500 0.094 0.000 2.105 297 R HA -0.118 4.224 4.340 0.005 0.000 0.239 297 R C 2.388 178.865 176.300 0.294 0.000 1.135 297 R CA 1.059 57.242 56.100 0.138 0.000 0.967 297 R CB -0.657 29.661 30.300 0.031 0.000 0.861 297 R HN 0.568 nan 8.270 nan 0.000 0.442 298 G N 0.439 109.402 108.800 0.271 0.000 2.453 298 G HA2 -0.343 3.620 3.960 0.005 0.000 0.215 298 G HA3 -0.343 3.620 3.960 0.005 0.000 0.215 298 G C 1.235 176.289 174.900 0.256 0.000 1.201 298 G CA 0.815 46.078 45.100 0.272 0.000 0.784 298 G HN 0.341 nan 8.290 nan 0.000 0.545 299 Y N 1.257 121.631 120.300 0.124 0.000 2.049 299 Y HA -0.142 4.411 4.550 0.004 0.000 0.277 299 Y C 2.713 178.717 175.900 0.173 0.000 1.143 299 Y CA 1.808 59.976 58.100 0.112 0.000 1.115 299 Y CB -0.421 38.057 38.460 0.031 0.000 0.975 299 Y HN 0.164 nan 8.280 nan 0.000 0.487 300 I N -0.347 120.421 120.570 0.329 0.000 2.185 300 I HA -0.414 3.759 4.170 0.005 0.000 0.246 300 I C 2.858 179.020 176.117 0.075 0.000 1.088 300 I CA 1.876 63.314 61.300 0.230 0.000 1.347 300 I CB -0.695 37.525 38.000 0.366 0.000 1.041 300 I HN 0.346 nan 8.210 nan 0.000 0.415 301 S N 0.107 115.885 115.700 0.131 0.000 2.370 301 S HA -0.213 4.260 4.470 0.005 0.000 0.226 301 S C 2.045 176.665 174.600 0.033 0.000 1.033 301 S CA 2.320 60.582 58.200 0.103 0.000 1.011 301 S CB -0.433 62.944 63.200 0.296 0.000 0.852 301 S HN 0.519 nan 8.310 nan 0.000 0.457 302 T N 2.013 116.563 114.554 -0.007 0.000 2.904 302 T HA 0.073 4.426 4.350 0.005 0.000 0.267 302 T C 1.973 176.603 174.700 -0.116 0.000 1.059 302 T CA 0.603 62.671 62.100 -0.054 0.000 1.137 302 T CB -0.197 68.634 68.868 -0.061 0.000 0.879 302 T HN 0.266 nan 8.240 nan 0.000 0.467 303 R N 0.831 121.207 120.500 -0.206 0.000 2.115 303 R HA 0.050 4.393 4.340 0.005 0.000 0.230 303 R C 2.506 178.767 176.300 -0.065 0.000 1.111 303 R CA 0.618 56.614 56.100 -0.172 0.000 0.976 303 R CB -1.095 29.070 30.300 -0.224 0.000 0.870 303 R HN 0.337 nan 8.270 nan 0.000 0.445 304 V N 1.137 121.022 119.914 -0.049 0.000 2.295 304 V HA -0.239 3.884 4.120 0.005 0.000 0.246 304 V C 2.383 178.463 176.094 -0.024 0.000 1.049 304 V CA 2.053 64.334 62.300 -0.032 0.000 1.024 304 V CB -0.468 31.325 31.823 -0.050 0.000 0.648 304 V HN 0.233 nan 8.190 nan 0.000 0.447 305 E N -0.069 120.117 120.200 -0.023 0.000 2.085 305 E HA -0.267 4.086 4.350 0.005 0.000 0.194 305 E C 1.986 178.577 176.600 -0.015 0.000 0.994 305 E CA 1.630 58.021 56.400 -0.014 0.000 0.801 305 E CB -0.396 29.299 29.700 -0.008 0.000 0.743 305 E HN 0.393 nan 8.360 nan 0.000 0.453 306 M N -0.796 118.790 119.600 -0.023 0.000 2.192 306 M HA -0.085 4.397 4.480 0.005 0.000 0.259 306 M C 1.692 177.988 176.300 -0.006 0.000 1.071 306 M CA 1.875 57.165 55.300 -0.016 0.000 1.082 306 M CB -0.565 32.022 32.600 -0.023 0.000 1.373 306 M HN 0.389 nan 8.290 nan 0.000 0.408 307 G N -1.395 107.402 108.800 -0.005 0.000 2.159 307 G HA2 -0.303 3.659 3.960 0.005 0.000 0.256 307 G HA3 -0.303 3.659 3.960 0.005 0.000 0.256 307 G C 0.861 175.768 174.900 0.011 0.000 0.977 307 G CA 0.680 45.782 45.100 0.003 0.000 0.652 307 G HN 0.435 nan 8.290 nan 0.000 0.531 308 E N 0.170 120.376 120.200 0.009 0.000 2.478 308 E HA 0.586 4.939 4.350 0.005 0.000 0.194 308 E C 1.046 177.670 176.600 0.039 0.000 1.045 308 E CA 1.347 57.760 56.400 0.022 0.000 0.868 308 E CB 0.211 29.922 29.700 0.018 0.000 0.885 308 E HN 1.341 nan 8.360 nan 0.000 0.505 309 A N -0.552 122.288 122.820 0.034 0.000 2.589 309 A HA 0.801 5.123 4.320 0.005 0.000 0.296 309 A C -1.349 176.255 177.584 0.034 0.000 1.062 309 A CA -0.279 51.790 52.037 0.053 0.000 0.686 309 A CB 1.358 20.401 19.000 0.071 0.000 1.282 309 A HN 0.085 nan 8.150 nan 0.000 0.404 310 A N 0.425 123.274 122.820 0.049 0.000 2.342 310 A HA 0.976 5.299 4.320 0.005 0.000 0.323 310 A C -0.079 177.514 177.584 0.015 0.000 1.125 310 A CA 0.064 52.114 52.037 0.022 0.000 0.785 310 A CB 1.247 20.272 19.000 0.043 0.000 1.221 310 A HN 2.554 nan 8.150 nan 0.000 0.463 311 A N 1.614 124.406 122.820 -0.047 0.000 2.515 311 A HA 0.833 5.156 4.320 0.005 0.000 0.296 311 A C -1.052 176.478 177.584 -0.091 0.000 1.094 311 A CA -0.446 51.566 52.037 -0.042 0.000 0.718 311 A CB 0.991 19.977 19.000 -0.024 0.000 1.307 311 A HN 0.765 nan 8.150 nan 0.000 0.408 312 I N 0.997 121.582 120.570 0.024 0.000 2.465 312 I HA 0.441 4.614 4.170 0.005 0.000 0.291 312 I C -1.458 174.854 176.117 0.326 0.000 1.014 312 I CA -0.294 61.039 61.300 0.056 0.000 1.093 312 I CB 1.791 39.803 38.000 0.020 0.000 1.267 312 I HN 0.447 nan 8.210 nan 0.000 0.431 313 F N 6.247 126.151 119.950 -0.077 0.000 2.347 313 F HA 0.463 4.993 4.527 0.004 0.000 0.366 313 F C 0.016 175.805 175.800 -0.019 0.000 1.107 313 F CA -1.268 56.688 58.000 -0.073 0.000 1.058 313 F CB 1.274 40.202 39.000 -0.121 0.000 1.236 313 F HN 0.186 nan 8.300 nan 0.000 0.456 314 M N 3.236 122.916 119.600 0.135 0.000 2.120 314 M HA 0.406 4.889 4.480 0.005 0.000 0.354 314 M C 0.108 176.476 176.300 0.114 0.000 1.287 314 M CA 0.115 55.475 55.300 0.100 0.000 1.103 314 M CB 1.154 33.794 32.600 0.067 0.000 1.623 314 M HN 0.565 nan 8.290 nan 0.000 0.471 315 T N 1.064 115.686 114.554 0.114 0.000 3.225 315 T HA 0.511 4.864 4.350 0.005 0.000 0.356 315 T C 0.349 175.058 174.700 0.014 0.000 1.460 315 T CA -0.042 62.130 62.100 0.121 0.000 1.126 315 T CB 1.276 70.270 68.868 0.211 0.000 1.321 315 T HN 0.707 nan 8.240 nan 0.000 0.478 316 A N 2.638 125.407 122.820 -0.085 0.000 2.014 316 A HA 0.270 4.593 4.320 0.005 0.000 0.218 316 A C 1.189 178.671 177.584 -0.170 0.000 1.163 316 A CA 1.529 53.472 52.037 -0.157 0.000 0.652 316 A CB -0.314 18.563 19.000 -0.205 0.000 0.808 316 A HN 1.241 nan 8.150 nan 0.000 0.449 317 T N -1.173 113.258 114.554 -0.205 0.000 3.141 317 T HA 0.500 4.853 4.350 0.005 0.000 0.377 317 T C -3.186 171.502 174.700 -0.020 0.000 1.258 317 T CA -2.007 60.005 62.100 -0.145 0.000 1.263 317 T CB 1.589 70.322 68.868 -0.225 0.000 1.066 317 T HN 0.066 nan 8.240 nan 0.000 0.546 318 P HA 0.271 nan 4.420 nan 0.000 0.268 318 P C -2.663 174.742 177.300 0.176 0.000 1.205 318 P CA -1.446 61.748 63.100 0.157 0.000 0.771 318 P CB -0.347 31.450 31.700 0.161 0.000 0.858 319 P HA -0.016 nan 4.420 nan 0.000 0.260 319 P C 1.145 178.538 177.300 0.155 0.000 1.172 319 P CA 1.662 64.911 63.100 0.250 0.000 0.760 319 P CB -0.276 31.652 31.700 0.380 0.000 0.773 320 G N 2.205 111.060 108.800 0.092 0.000 2.493 320 G HA2 -0.235 3.728 3.960 0.005 0.000 0.206 320 G HA3 -0.235 3.728 3.960 0.005 0.000 0.206 320 G C 0.237 175.155 174.900 0.030 0.000 1.109 320 G CA 0.065 45.187 45.100 0.038 0.000 0.689 320 G HN 0.779 nan 8.290 nan 0.000 0.516 321 S N 1.242 116.964 115.700 0.037 0.000 2.563 321 S HA 0.406 4.879 4.470 0.005 0.000 0.294 321 S C 1.062 175.659 174.600 -0.005 0.000 1.279 321 S CA 1.435 59.641 58.200 0.011 0.000 1.069 321 S CB 1.269 64.469 63.200 0.001 0.000 0.828 321 S HN 1.708 nan 8.310 nan 0.000 0.497 322 T N -2.328 112.218 114.554 -0.013 0.000 3.091 322 T HA 0.194 4.547 4.350 0.005 0.000 0.277 322 T C -0.199 174.479 174.700 -0.036 0.000 0.996 322 T CA -0.397 61.691 62.100 -0.020 0.000 0.897 322 T CB -0.071 68.793 68.868 -0.006 0.000 1.109 322 T HN 0.600 nan 8.240 nan 0.000 0.534 323 D N 3.786 124.161 120.400 -0.041 0.000 2.339 323 D HA 0.210 4.853 4.640 0.005 0.000 0.256 323 D C -1.448 174.771 176.300 -0.135 0.000 1.214 323 D CA -2.132 51.843 54.000 -0.042 0.000 0.877 323 D CB 1.866 42.657 40.800 -0.014 0.000 1.111 323 D HN 0.093 nan 8.370 nan 0.000 0.478 324 P HA 0.065 nan 4.420 nan 0.000 0.245 324 P C -0.250 176.521 177.300 -0.881 0.000 1.206 324 P CA 0.214 62.991 63.100 -0.538 0.000 0.781 324 P CB -0.001 31.323 31.700 -0.627 0.000 0.994 325 F N 0.623 120.473 119.950 -0.166 0.000 2.523 325 F HA 0.418 4.947 4.527 0.004 0.000 0.322 325 F C -2.191 173.535 175.800 -0.123 0.000 1.361 325 F CA -2.353 55.547 58.000 -0.168 0.000 1.151 325 F CB 0.343 39.261 39.000 -0.136 0.000 1.391 325 F HN -0.165 nan 8.300 nan 0.000 0.566 326 P HA 0.100 nan 4.420 nan 0.000 0.293 326 P C -0.292 177.000 177.300 -0.015 0.000 1.298 326 P CA -0.450 62.624 63.100 -0.043 0.000 0.757 326 P CB 0.609 32.236 31.700 -0.122 0.000 1.262 327 Q N 0.007 119.801 119.800 -0.009 0.000 2.312 327 Q HA 0.491 4.834 4.340 0.005 0.000 0.236 327 Q C -0.713 175.302 176.000 0.026 0.000 0.965 327 Q CA 0.072 55.913 55.803 0.063 0.000 0.894 327 Q CB 0.302 29.165 28.738 0.208 0.000 1.225 327 Q HN 0.529 nan 8.270 nan 0.000 0.478 328 S N 1.235 116.999 115.700 0.105 0.000 2.588 328 S HA 0.381 4.854 4.470 0.005 0.000 0.275 328 S C 0.219 174.919 174.600 0.166 0.000 1.130 328 S CA -0.553 57.713 58.200 0.110 0.000 0.855 328 S CB 0.930 64.156 63.200 0.043 0.000 1.116 328 S HN 0.776 nan 8.310 nan 0.000 0.472 329 N N 0.652 119.453 118.700 0.168 0.000 2.494 329 N HA -0.010 4.733 4.740 0.005 0.000 0.182 329 N C 0.070 175.620 175.510 0.067 0.000 1.076 329 N CA 0.438 53.575 53.050 0.144 0.000 0.908 329 N CB 0.144 38.720 38.487 0.150 0.000 0.967 329 N HN 0.501 nan 8.380 nan 0.000 0.449 330 S N 1.016 116.736 115.700 0.033 0.000 2.538 330 S HA 0.474 4.947 4.470 0.005 0.000 0.288 330 S C -2.910 171.673 174.600 -0.028 0.000 1.108 330 S CA -1.520 56.660 58.200 -0.034 0.000 0.971 330 S CB 1.595 64.781 63.200 -0.024 0.000 1.041 330 S HN 0.026 nan 8.310 nan 0.000 0.483 331 P HA 0.262 nan 4.420 nan 0.000 0.267 331 P C -0.978 176.312 177.300 -0.015 0.000 1.205 331 P CA 0.013 63.084 63.100 -0.048 0.000 0.765 331 P CB 0.255 31.898 31.700 -0.095 0.000 0.828 332 I N 2.052 122.632 120.570 0.017 0.000 2.404 332 I HA 0.257 4.429 4.170 0.005 0.000 0.293 332 I C 0.836 176.994 176.117 0.069 0.000 0.992 332 I CA -0.793 60.542 61.300 0.058 0.000 1.149 332 I CB 1.870 39.920 38.000 0.083 0.000 1.315 332 I HN 0.297 nan 8.210 nan 0.000 0.446 333 E N 5.350 125.600 120.200 0.083 0.000 2.259 333 E HA 0.147 4.500 4.350 0.005 0.000 0.281 333 E C -1.181 175.515 176.600 0.160 0.000 1.027 333 E CA -0.535 55.914 56.400 0.081 0.000 0.838 333 E CB 0.848 30.580 29.700 0.052 0.000 1.066 333 E HN 0.411 nan 8.360 nan 0.000 0.401 334 D N 5.678 126.180 120.400 0.171 0.000 2.477 334 D HA 0.243 4.886 4.640 0.005 0.000 0.239 334 D C -0.249 176.237 176.300 0.310 0.000 1.102 334 D CA -0.203 54.002 54.000 0.342 0.000 0.901 334 D CB 0.454 41.444 40.800 0.316 0.000 1.026 334 D HN 0.390 nan 8.370 nan 0.000 0.515 335 I N 1.100 121.763 120.570 0.155 0.000 2.395 335 I HA 0.105 4.278 4.170 0.005 0.000 0.289 335 I C 0.855 176.740 176.117 -0.387 0.000 1.023 335 I CA -0.250 60.992 61.300 -0.098 0.000 1.350 335 I CB 1.107 38.985 38.000 -0.203 0.000 1.409 335 I HN 0.058 nan 8.210 nan 0.000 0.507 336 E N 7.256 127.115 120.200 -0.569 0.000 2.134 336 E HA 0.513 4.866 4.350 0.005 0.000 0.278 336 E C -0.773 175.461 176.600 -0.610 0.000 0.959 336 E CA -0.536 55.272 56.400 -0.986 0.000 0.783 336 E CB 1.090 30.272 29.700 -0.862 0.000 1.095 336 E HN 0.528 nan 8.360 nan 0.000 0.399 337 R N 2.171 122.320 120.500 -0.584 0.000 2.906 337 R HA 0.267 4.610 4.340 0.005 0.000 0.258 337 R C -1.002 175.168 176.300 -0.216 0.000 1.156 337 R CA -0.890 54.956 56.100 -0.424 0.000 0.996 337 R CB 1.504 31.414 30.300 -0.651 0.000 1.259 337 R HN 0.500 nan 8.270 nan 0.000 0.462 338 E N 1.348 121.532 120.200 -0.027 0.000 2.259 338 E HA 0.318 4.671 4.350 0.005 0.000 0.281 338 E C -1.033 175.778 176.600 0.352 0.000 1.027 338 E CA -0.256 56.252 56.400 0.180 0.000 0.838 338 E CB 0.831 30.710 29.700 0.299 0.000 1.066 338 E HN 0.275 nan 8.360 nan 0.000 0.401 339 I N 6.676 127.337 120.570 0.152 0.000 2.466 339 I HA 0.298 4.471 4.170 0.005 0.000 0.289 339 I C -2.086 173.942 176.117 -0.149 0.000 1.026 339 I CA -2.378 58.925 61.300 0.005 0.000 1.078 339 I CB 1.929 39.921 38.000 -0.013 0.000 1.249 339 I HN 0.466 nan 8.210 nan 0.000 0.429 340 P HA 0.079 nan 4.420 nan 0.000 0.268 340 P C -0.555 176.730 177.300 -0.026 0.000 1.208 340 P CA 0.132 62.990 63.100 -0.403 0.000 0.777 340 P CB 1.128 32.440 31.700 -0.647 0.000 0.875 341 E N 0.030 120.237 120.200 0.011 0.000 2.421 341 E HA 0.133 4.486 4.350 0.005 0.000 0.209 341 E C 0.769 177.387 176.600 0.030 0.000 0.871 341 E CA 0.298 56.724 56.400 0.044 0.000 1.064 341 E CB 0.083 29.810 29.700 0.045 0.000 1.075 341 E HN 0.243 nan 8.360 nan 0.000 0.513 342 R N 0.173 120.703 120.500 0.050 0.000 3.234 342 R HA 0.534 4.876 4.340 0.005 0.000 0.223 342 R C 0.142 176.509 176.300 0.112 0.000 1.644 342 R CA -0.969 55.158 56.100 0.045 0.000 1.009 342 R CB -0.348 29.971 30.300 0.033 0.000 1.959 342 R HN -0.068 nan 8.270 nan 0.000 0.534 343 S N 0.809 116.534 115.700 0.041 0.000 2.585 343 S HA 0.278 4.750 4.470 0.005 0.000 0.273 343 S C -0.417 174.264 174.600 0.134 0.000 1.339 343 S CA -0.276 57.905 58.200 -0.031 0.000 1.028 343 S CB 0.247 63.349 63.200 -0.164 0.000 0.906 343 S HN 0.437 nan 8.310 nan 0.000 0.528 344 W N 1.374 122.643 121.300 -0.052 0.000 3.055 344 W HA 0.690 5.353 4.660 0.004 0.000 0.340 344 W C -0.031 176.514 176.519 0.042 0.000 1.180 344 W CA -0.792 56.569 57.345 0.027 0.000 1.077 344 W CB 0.574 30.062 29.460 0.047 0.000 1.479 344 W HN 0.506 nan 8.180 nan 0.000 0.593 345 N N -0.908 117.969 118.700 0.295 0.000 3.137 345 N HA 0.039 4.782 4.740 0.005 0.000 0.265 345 N C -0.196 175.466 175.510 0.252 0.000 0.926 345 N CA 0.562 53.691 53.050 0.132 0.000 1.169 345 N CB 0.809 39.341 38.487 0.075 0.000 1.394 345 N HN 0.553 nan 8.380 nan 0.000 1.009 346 T N -2.194 112.508 114.554 0.246 0.000 2.948 346 T HA 0.633 4.986 4.350 0.005 0.000 0.285 346 T C 1.117 175.889 174.700 0.120 0.000 1.019 346 T CA 0.156 62.353 62.100 0.162 0.000 1.013 346 T CB 2.343 71.262 68.868 0.084 0.000 1.117 346 T HN 0.483 nan 8.240 nan 0.000 0.533 347 G N 0.737 109.527 108.800 -0.016 0.000 2.900 347 G HA2 -0.264 3.699 3.960 0.005 0.000 0.223 347 G HA3 -0.264 3.699 3.960 0.005 0.000 0.223 347 G C 0.237 174.966 174.900 -0.285 0.000 1.293 347 G CA 0.264 45.224 45.100 -0.234 0.000 0.792 347 G HN 0.732 nan 8.290 nan 0.000 0.527 348 F N 3.564 123.483 119.950 -0.051 0.000 2.913 348 F HA 0.342 4.872 4.527 0.005 0.000 0.306 348 F C 1.612 177.089 175.800 -0.539 0.000 1.205 348 F CA 0.226 57.948 58.000 -0.463 0.000 1.359 348 F CB 0.140 38.639 39.000 -0.835 0.000 1.260 348 F HN 0.297 nan 8.300 nan 0.000 0.545 349 D N -0.575 119.759 120.400 -0.110 0.000 2.149 349 D HA -0.235 4.408 4.640 0.005 0.000 0.201 349 D C 2.096 178.376 176.300 -0.034 0.000 0.972 349 D CA 0.723 54.719 54.000 -0.005 0.000 0.835 349 D CB -1.050 39.800 40.800 0.083 0.000 0.966 349 D HN 0.548 nan 8.370 nan 0.000 0.476 350 W N 1.839 123.191 121.300 0.088 0.000 2.321 350 W HA -0.174 4.488 4.660 0.004 0.000 0.285 350 W C 1.494 178.084 176.519 0.119 0.000 1.213 350 W CA 0.306 57.703 57.345 0.088 0.000 1.205 350 W CB -1.047 28.431 29.460 0.031 0.000 1.134 350 W HN 0.011 nan 8.180 nan 0.000 0.549 351 I N 2.140 122.328 120.570 -0.635 0.000 2.113 351 I HA -0.299 3.874 4.170 0.005 0.000 0.238 351 I C 2.880 179.067 176.117 0.116 0.000 1.070 351 I CA 2.879 63.916 61.300 -0.440 0.000 1.332 351 I CB -1.007 36.515 38.000 -0.796 0.000 1.044 351 I HN -0.019 nan 8.210 nan 0.000 0.402 352 T N -2.196 112.417 114.554 0.098 0.000 2.857 352 T HA -0.107 4.246 4.350 0.005 0.000 0.266 352 T C 1.421 176.265 174.700 0.239 0.000 1.048 352 T CA 1.223 63.455 62.100 0.220 0.000 1.139 352 T CB -0.548 68.426 68.868 0.176 0.000 0.874 352 T HN 0.165 nan 8.240 nan 0.000 0.455 353 D N 0.399 120.922 120.400 0.205 0.000 2.263 353 D HA 0.013 4.656 4.640 0.005 0.000 0.208 353 D C 0.372 176.805 176.300 0.221 0.000 0.971 353 D CA 0.484 54.599 54.000 0.192 0.000 0.867 353 D CB -0.604 40.303 40.800 0.179 0.000 0.929 353 D HN 0.555 nan 8.370 nan 0.000 0.492 354 Y N 1.415 121.807 120.300 0.153 0.000 2.610 354 Y HA -0.018 4.534 4.550 0.004 0.000 0.332 354 Y C 0.508 176.460 175.900 0.088 0.000 1.201 354 Y CA 0.351 58.526 58.100 0.125 0.000 1.465 354 Y CB 0.546 39.094 38.460 0.146 0.000 1.283 354 Y HN -0.163 nan 8.280 nan 0.000 0.563 355 Q N 5.480 125.102 119.800 -0.298 0.000 2.824 355 Q HA 0.376 4.719 4.340 0.005 0.000 0.371 355 Q C -0.398 175.445 176.000 -0.263 0.000 1.071 355 Q CA -0.040 55.656 55.803 -0.179 0.000 1.064 355 Q CB 0.796 29.452 28.738 -0.138 0.000 1.332 355 Q HN 0.956 nan 8.270 nan 0.000 0.445 356 G N 0.055 108.792 108.800 -0.106 0.000 2.495 356 G HA2 0.289 4.252 3.960 0.005 0.000 0.294 356 G HA3 0.289 4.252 3.960 0.005 0.000 0.294 356 G C -1.254 173.697 174.900 0.084 0.000 1.397 356 G CA -0.842 44.252 45.100 -0.011 0.000 0.790 356 G HN 0.070 nan 8.290 nan 0.000 0.486 357 K N 0.506 120.862 120.400 -0.073 0.000 2.322 357 K HA 0.538 4.861 4.320 0.005 0.000 0.283 357 K C -0.499 176.035 176.600 -0.109 0.000 1.042 357 K CA 0.202 56.330 56.287 -0.265 0.000 0.958 357 K CB 0.968 33.129 32.500 -0.564 0.000 0.984 357 K HN 0.404 nan 8.250 nan 0.000 0.473 358 T N 1.270 115.708 114.554 -0.195 0.000 2.876 358 T HA 0.351 4.704 4.350 0.005 0.000 0.289 358 T C -0.675 174.015 174.700 -0.017 0.000 1.014 358 T CA -0.794 61.159 62.100 -0.246 0.000 0.986 358 T CB 1.684 70.138 68.868 -0.691 0.000 1.021 358 T HN 0.141 nan 8.240 nan 0.000 0.458 359 V N 2.916 122.811 119.914 -0.030 0.000 2.417 359 V HA 0.544 4.667 4.120 0.005 0.000 0.291 359 V C -1.066 175.022 176.094 -0.010 0.000 1.024 359 V CA -0.864 61.352 62.300 -0.140 0.000 0.861 359 V CB 1.598 33.257 31.823 -0.275 0.000 0.985 359 V HN 0.819 nan 8.190 nan 0.000 0.436 360 W N 6.123 127.279 121.300 -0.240 0.000 2.619 360 W HA 0.600 5.262 4.660 0.004 0.000 0.327 360 W C -1.622 174.757 176.519 -0.233 0.000 1.027 360 W CA -2.155 55.132 57.345 -0.098 0.000 1.233 360 W CB 1.671 31.156 29.460 0.042 0.000 1.370 360 W HN 0.432 nan 8.180 nan 0.000 0.453 361 F N 6.026 126.278 119.950 0.503 0.000 2.390 361 F HA 0.305 4.834 4.527 0.003 0.000 0.361 361 F C 0.793 176.783 175.800 0.316 0.000 1.124 361 F CA -0.549 57.637 58.000 0.310 0.000 1.149 361 F CB 0.796 39.922 39.000 0.209 0.000 1.160 361 F HN 0.059 nan 8.300 nan 0.000 0.501 362 V N 2.850 122.931 119.914 0.277 0.000 2.547 362 V HA 0.474 4.597 4.120 0.005 0.000 0.299 362 V C -1.922 174.254 176.094 0.138 0.000 1.040 362 V CA -1.968 60.417 62.300 0.142 0.000 0.913 362 V CB 1.596 33.391 31.823 -0.047 0.000 0.992 362 V HN 0.459 nan 8.190 nan 0.000 0.449 363 P HA -0.019 nan 4.420 nan 0.000 0.220 363 P C 0.503 177.828 177.300 0.041 0.000 1.148 363 P CA 1.450 64.594 63.100 0.073 0.000 0.803 363 P CB 0.220 31.951 31.700 0.052 0.000 0.782 364 S N -2.578 113.136 115.700 0.023 0.000 2.607 364 S HA 0.388 4.861 4.470 0.005 0.000 0.273 364 S C 0.662 175.259 174.600 -0.006 0.000 1.148 364 S CA -0.759 57.444 58.200 0.004 0.000 0.833 364 S CB 0.537 63.731 63.200 -0.011 0.000 1.130 364 S HN -0.244 nan 8.310 nan 0.000 0.470 365 I N 1.103 121.669 120.570 -0.006 0.000 2.226 365 I HA 0.004 4.177 4.170 0.005 0.000 0.245 365 I C 2.550 178.651 176.117 -0.027 0.000 1.100 365 I CA 1.543 62.836 61.300 -0.011 0.000 1.374 365 I CB -0.654 37.347 38.000 0.001 0.000 1.057 365 I HN 0.818 nan 8.210 nan 0.000 0.413 366 K N 1.472 121.859 120.400 -0.022 0.000 2.009 366 K HA -0.146 4.177 4.320 0.005 0.000 0.210 366 K C 2.188 178.762 176.600 -0.045 0.000 1.049 366 K CA 1.901 58.172 56.287 -0.027 0.000 0.929 366 K CB -0.659 31.832 32.500 -0.015 0.000 0.714 366 K HN 0.258 nan 8.250 nan 0.000 0.440 367 A N 0.222 123.016 122.820 -0.043 0.000 1.917 367 A HA -0.107 4.215 4.320 0.005 0.000 0.219 367 A C 2.432 179.947 177.584 -0.115 0.000 1.182 367 A CA 2.175 54.175 52.037 -0.061 0.000 0.633 367 A CB -1.603 17.374 19.000 -0.037 0.000 0.819 367 A HN 0.546 nan 8.150 nan 0.000 0.448 368 G N 0.289 109.023 108.800 -0.111 0.000 2.491 368 G HA2 -0.349 3.614 3.960 0.005 0.000 0.218 368 G HA3 -0.349 3.614 3.960 0.005 0.000 0.218 368 G C 1.400 176.202 174.900 -0.164 0.000 1.180 368 G CA 1.096 46.102 45.100 -0.156 0.000 0.774 368 G HN 0.608 nan 8.290 nan 0.000 0.562 369 N N 1.363 119.997 118.700 -0.111 0.000 2.205 369 N HA -0.102 4.641 4.740 0.005 0.000 0.186 369 N C 1.639 177.073 175.510 -0.126 0.000 1.015 369 N CA 1.437 54.426 53.050 -0.103 0.000 0.862 369 N CB -0.266 38.180 38.487 -0.068 0.000 0.986 369 N HN 0.343 nan 8.380 nan 0.000 0.429 370 D N 1.295 121.618 120.400 -0.129 0.000 2.077 370 D HA -0.079 4.564 4.640 0.005 0.000 0.193 370 D C 2.170 178.356 176.300 -0.190 0.000 0.989 370 D CA 0.604 54.523 54.000 -0.136 0.000 0.831 370 D CB -0.493 40.246 40.800 -0.100 0.000 0.979 370 D HN 0.120 nan 8.370 nan 0.000 0.449 371 I N 1.860 122.288 120.570 -0.236 0.000 2.145 371 I HA -0.302 3.871 4.170 0.005 0.000 0.244 371 I C 2.473 178.406 176.117 -0.307 0.000 1.075 371 I CA 1.356 62.467 61.300 -0.316 0.000 1.332 371 I CB -0.562 36.979 38.000 -0.765 0.000 1.033 371 I HN -0.050 nan 8.210 nan 0.000 0.410 372 A N 0.399 123.053 122.820 -0.277 0.000 1.834 372 A HA -0.297 4.026 4.320 0.005 0.000 0.216 372 A C 2.143 179.608 177.584 -0.198 0.000 1.203 372 A CA 2.455 54.368 52.037 -0.206 0.000 0.621 372 A CB -1.184 17.726 19.000 -0.149 0.000 0.841 372 A HN 0.459 nan 8.150 nan 0.000 0.446 373 N N -0.759 117.834 118.700 -0.179 0.000 2.111 373 N HA -0.224 4.519 4.740 0.005 0.000 0.197 373 N C 1.657 177.018 175.510 -0.249 0.000 1.011 373 N CA 1.661 54.605 53.050 -0.176 0.000 0.880 373 N CB -0.904 37.493 38.487 -0.151 0.000 1.031 373 N HN 0.623 nan 8.380 nan 0.000 0.444 374 C N -0.014 119.076 119.300 -0.351 0.000 2.466 374 C HA 0.053 4.515 4.460 0.005 0.000 0.278 374 C C 2.223 176.831 174.990 -0.637 0.000 1.288 374 C CA 0.575 59.236 59.018 -0.594 0.000 1.722 374 C CB -1.145 26.066 27.740 -0.883 0.000 2.017 374 C HN 0.530 nan 8.230 nan 0.000 0.488 375 L N 0.086 121.038 121.223 -0.452 0.000 2.492 375 L HA 0.290 4.632 4.340 0.005 0.000 0.223 375 L C 2.257 179.009 176.870 -0.197 0.000 1.132 375 L CA 1.254 55.922 54.840 -0.286 0.000 0.850 375 L CB -1.242 40.673 42.059 -0.240 0.000 0.966 375 L HN 0.146 nan 8.230 nan 0.000 0.454 376 R N 0.956 121.347 120.500 -0.181 0.000 2.120 376 R HA -0.063 4.279 4.340 0.005 0.000 0.234 376 R C 2.069 178.309 176.300 -0.100 0.000 1.123 376 R CA 1.386 57.421 56.100 -0.108 0.000 0.975 376 R CB -0.313 29.929 30.300 -0.097 0.000 0.866 376 R HN 0.470 nan 8.270 nan 0.000 0.446 377 K N -0.117 120.193 120.400 -0.148 0.000 2.152 377 K HA -0.111 4.212 4.320 0.005 0.000 0.206 377 K C 2.036 178.581 176.600 -0.091 0.000 1.048 377 K CA 1.370 57.579 56.287 -0.130 0.000 0.933 377 K CB -0.163 32.225 32.500 -0.186 0.000 0.721 377 K HN -0.008 nan 8.250 nan 0.000 0.447 378 S N -0.306 115.340 115.700 -0.089 0.000 2.561 378 S HA 0.040 4.512 4.470 0.005 0.000 0.225 378 S C 0.820 175.426 174.600 0.011 0.000 0.977 378 S CA 0.755 58.938 58.200 -0.028 0.000 0.926 378 S CB -0.135 63.064 63.200 -0.002 0.000 0.769 378 S HN 0.537 nan 8.310 nan 0.000 0.533 379 G N 1.675 110.478 108.800 0.004 0.000 2.370 379 G HA2 -0.144 3.819 3.960 0.005 0.000 0.268 379 G HA3 -0.144 3.819 3.960 0.005 0.000 0.268 379 G C -0.536 174.408 174.900 0.074 0.000 1.122 379 G CA -0.301 44.818 45.100 0.032 0.000 0.963 379 G HN 0.358 nan 8.290 nan 0.000 0.500 380 K N 0.316 120.765 120.400 0.082 0.000 2.323 380 K HA 0.348 4.671 4.320 0.005 0.000 0.259 380 K C 0.574 177.282 176.600 0.179 0.000 0.947 380 K CA -0.861 55.530 56.287 0.175 0.000 0.819 380 K CB 1.469 34.090 32.500 0.201 0.000 1.109 380 K HN 0.451 nan 8.250 nan 0.000 0.429 381 R N 1.394 122.029 120.500 0.225 0.000 2.351 381 R HA 0.144 4.487 4.340 0.005 0.000 0.321 381 R C 0.252 176.723 176.300 0.284 0.000 1.182 381 R CA -0.321 55.907 56.100 0.213 0.000 1.011 381 R CB 0.230 30.657 30.300 0.211 0.000 1.048 381 R HN 0.191 nan 8.270 nan 0.000 0.490 382 V N 5.621 125.648 119.914 0.188 0.000 2.435 382 V HA 0.457 4.579 4.120 0.005 0.000 0.290 382 V C -0.190 175.934 176.094 0.049 0.000 1.030 382 V CA -0.792 61.608 62.300 0.167 0.000 0.881 382 V CB 1.090 32.979 31.823 0.109 0.000 0.983 382 V HN 0.576 nan 8.190 nan 0.000 0.445 383 I N 6.362 126.915 120.570 -0.029 0.000 2.437 383 I HA 0.476 4.649 4.170 0.005 0.000 0.298 383 I C 0.045 176.101 176.117 -0.102 0.000 0.984 383 I CA -0.429 60.802 61.300 -0.114 0.000 1.214 383 I CB 1.601 39.437 38.000 -0.274 0.000 1.365 383 I HN 0.558 nan 8.210 nan 0.000 0.469 384 Q N 6.113 125.871 119.800 -0.071 0.000 2.316 384 Q HA 0.663 5.006 4.340 0.005 0.000 0.264 384 Q C -1.293 174.699 176.000 -0.014 0.000 0.987 384 Q CA -0.725 55.047 55.803 -0.051 0.000 0.852 384 Q CB 2.856 31.569 28.738 -0.041 0.000 1.287 384 Q HN 0.515 nan 8.270 nan 0.000 0.448 385 L N 1.671 122.904 121.223 0.016 0.000 2.362 385 L HA 0.619 4.962 4.340 0.005 0.000 0.275 385 L C -0.298 176.641 176.870 0.116 0.000 0.998 385 L CA -0.605 54.302 54.840 0.112 0.000 0.820 385 L CB 1.978 44.173 42.059 0.228 0.000 1.270 385 L HN 0.716 nan 8.230 nan 0.000 0.415 386 S N 1.285 117.071 115.700 0.143 0.000 2.618 386 S HA 0.461 4.933 4.470 0.005 0.000 0.277 386 S C 0.430 175.112 174.600 0.138 0.000 1.138 386 S CA -0.931 57.336 58.200 0.112 0.000 0.844 386 S CB 2.338 65.581 63.200 0.071 0.000 1.127 386 S HN 0.682 nan 8.310 nan 0.000 0.474 387 R N 0.911 121.464 120.500 0.090 0.000 2.117 387 R HA -0.102 4.240 4.340 0.005 0.000 0.243 387 R C 1.749 178.112 176.300 0.105 0.000 1.143 387 R CA 2.000 58.144 56.100 0.074 0.000 0.968 387 R CB -0.292 30.042 30.300 0.056 0.000 0.863 387 R HN 0.732 nan 8.270 nan 0.000 0.444 388 K N -1.152 119.307 120.400 0.097 0.000 2.067 388 K HA -0.032 4.291 4.320 0.005 0.000 0.203 388 K C 2.045 178.712 176.600 0.112 0.000 1.048 388 K CA 1.638 57.981 56.287 0.094 0.000 0.954 388 K CB -0.064 32.478 32.500 0.070 0.000 0.737 388 K HN 0.336 nan 8.250 nan 0.000 0.444 389 T N -0.515 114.106 114.554 0.112 0.000 3.051 389 T HA -0.105 4.248 4.350 0.005 0.000 0.269 389 T C 1.639 176.411 174.700 0.120 0.000 1.127 389 T CA 0.353 62.510 62.100 0.094 0.000 1.107 389 T CB -0.405 68.504 68.868 0.068 0.000 0.898 389 T HN 0.087 nan 8.240 nan 0.000 0.517 390 F N 3.115 123.084 119.950 0.032 0.000 2.043 390 F HA -0.124 4.405 4.527 0.004 0.000 0.297 390 F C 1.810 177.638 175.800 0.046 0.000 1.121 390 F CA 1.838 59.861 58.000 0.039 0.000 1.199 390 F CB -0.468 38.534 39.000 0.003 0.000 0.968 390 F HN 0.115 nan 8.300 nan 0.000 0.478 391 D N -0.681 119.786 120.400 0.111 0.000 2.392 391 D HA -0.080 4.563 4.640 0.005 0.000 0.228 391 D C 1.460 177.736 176.300 -0.041 0.000 1.003 391 D CA 1.509 55.514 54.000 0.007 0.000 0.917 391 D CB -0.134 40.725 40.800 0.097 0.000 0.890 391 D HN 0.419 nan 8.370 nan 0.000 0.532 392 T N -1.608 112.923 114.554 -0.038 0.000 3.003 392 T HA 0.119 4.472 4.350 0.005 0.000 0.261 392 T C 1.443 176.109 174.700 -0.058 0.000 1.003 392 T CA -0.236 61.845 62.100 -0.032 0.000 0.917 392 T CB 1.016 69.885 68.868 0.001 0.000 1.084 392 T HN -0.065 nan 8.240 nan 0.000 0.522 393 E N -0.034 120.109 120.200 -0.095 0.000 2.441 393 E HA 0.209 4.562 4.350 0.005 0.000 0.212 393 E C 1.240 177.745 176.600 -0.159 0.000 0.840 393 E CA 0.054 56.394 56.400 -0.100 0.000 1.143 393 E CB 0.087 29.755 29.700 -0.052 0.000 1.153 393 E HN 0.481 nan 8.360 nan 0.000 0.539 394 Y N 2.844 122.884 120.300 -0.434 0.000 2.224 394 Y HA -0.077 4.475 4.550 0.002 0.000 0.289 394 Y C -0.987 174.731 175.900 -0.304 0.000 1.146 394 Y CA 1.608 59.408 58.100 -0.500 0.000 1.182 394 Y CB -0.868 36.933 38.460 -1.098 0.000 0.983 394 Y HN 0.039 nan 8.280 nan 0.000 0.524 395 P HA -0.119 nan 4.420 nan 0.000 0.225 395 P C 0.773 177.941 177.300 -0.221 0.000 1.148 395 P CA 1.780 64.719 63.100 -0.267 0.000 0.779 395 P CB -0.055 31.573 31.700 -0.119 0.000 0.780 396 K N -0.885 119.397 120.400 -0.197 0.000 2.288 396 K HA -0.044 4.279 4.320 0.005 0.000 0.201 396 K C 1.963 178.481 176.600 -0.136 0.000 1.048 396 K CA 1.683 57.893 56.287 -0.128 0.000 0.956 396 K CB -0.652 31.783 32.500 -0.109 0.000 0.746 396 K HN 0.283 nan 8.250 nan 0.000 0.461 397 T N -0.784 113.607 114.554 -0.271 0.000 2.995 397 T HA -0.028 4.325 4.350 0.005 0.000 0.269 397 T C 1.645 176.442 174.700 0.162 0.000 1.091 397 T CA 0.732 62.679 62.100 -0.255 0.000 1.128 397 T CB 0.078 68.738 68.868 -0.346 0.000 0.891 397 T HN 0.109 nan 8.240 nan 0.000 0.492 398 K N 0.435 120.798 120.400 -0.061 0.000 2.029 398 K HA 0.259 4.582 4.320 0.005 0.000 0.205 398 K C 2.291 178.931 176.600 0.067 0.000 1.042 398 K CA 0.859 57.150 56.287 0.007 0.000 0.949 398 K CB -0.424 32.013 32.500 -0.104 0.000 0.740 398 K HN 0.217 nan 8.250 nan 0.000 0.442 399 L N 1.106 122.341 121.223 0.021 0.000 1.994 399 L HA -0.092 4.251 4.340 0.005 0.000 0.208 399 L C 1.364 178.278 176.870 0.074 0.000 1.071 399 L CA 1.197 56.055 54.840 0.030 0.000 0.745 399 L CB 0.044 42.103 42.059 -0.001 0.000 0.892 399 L HN 0.114 nan 8.230 nan 0.000 0.431 400 T N -1.329 113.297 114.554 0.120 0.000 2.944 400 T HA 0.127 4.480 4.350 0.005 0.000 0.284 400 T C -0.890 173.968 174.700 0.264 0.000 1.010 400 T CA -0.759 61.431 62.100 0.150 0.000 1.025 400 T CB 1.187 70.126 68.868 0.117 0.000 1.079 400 T HN 0.103 nan 8.240 nan 0.000 0.516 401 D N 2.109 122.612 120.400 0.172 0.000 2.308 401 D HA 0.385 5.028 4.640 0.005 0.000 0.251 401 D C -0.530 175.903 176.300 0.221 0.000 1.127 401 D CA -0.209 53.852 54.000 0.101 0.000 0.876 401 D CB 0.392 41.211 40.800 0.032 0.000 1.176 401 D HN 0.467 nan 8.370 nan 0.000 0.446 402 W N 2.548 123.870 121.300 0.036 0.000 3.005 402 W HA 0.363 5.024 4.660 0.001 0.000 0.343 402 W C -1.032 175.519 176.519 0.054 0.000 1.243 402 W CA -0.607 56.771 57.345 0.054 0.000 1.186 402 W CB 0.492 29.983 29.460 0.051 0.000 1.453 402 W HN 0.178 nan 8.180 nan 0.000 0.575 403 D N -0.158 120.494 120.400 0.420 0.000 2.461 403 D HA 0.200 4.843 4.640 0.005 0.000 0.266 403 D C -0.700 175.711 176.300 0.184 0.000 1.085 403 D CA 0.735 54.849 54.000 0.190 0.000 0.887 403 D CB 1.334 42.323 40.800 0.314 0.000 1.309 403 D HN 0.039 nan 8.370 nan 0.000 0.498 404 F N 1.023 121.307 119.950 0.557 0.000 2.585 404 F HA 0.264 4.795 4.527 0.006 0.000 0.319 404 F C -0.407 175.471 175.800 0.129 0.000 1.165 404 F CA -1.036 57.180 58.000 0.360 0.000 0.949 404 F CB 2.474 41.621 39.000 0.244 0.000 1.218 404 F HN -0.379 nan 8.300 nan 0.000 0.453 405 V N 6.013 125.942 119.914 0.026 0.000 2.333 405 V HA 0.614 4.736 4.120 0.005 0.000 0.274 405 V C -0.962 175.053 176.094 -0.131 0.000 1.028 405 V CA -0.385 61.757 62.300 -0.264 0.000 0.851 405 V CB 1.133 32.541 31.823 -0.691 0.000 1.000 405 V HN 0.501 nan 8.190 nan 0.000 0.456 406 V N 6.436 126.305 119.914 -0.075 0.000 2.498 406 V HA 0.591 4.714 4.120 0.005 0.000 0.279 406 V C 0.492 176.503 176.094 -0.139 0.000 1.048 406 V CA 0.403 62.642 62.300 -0.102 0.000 0.967 406 V CB 1.429 33.156 31.823 -0.159 0.000 0.988 406 V HN 1.064 nan 8.190 nan 0.000 0.473 407 T N 2.831 117.288 114.554 -0.162 0.000 2.894 407 T HA 0.555 4.908 4.350 0.005 0.000 0.309 407 T C -0.188 174.524 174.700 0.019 0.000 1.208 407 T CA -0.084 61.957 62.100 -0.099 0.000 1.016 407 T CB 1.840 70.602 68.868 -0.177 0.000 1.192 407 T HN 0.868 nan 8.240 nan 0.000 0.491 408 T N 0.646 115.260 114.554 0.100 0.000 2.824 408 T HA 0.304 4.657 4.350 0.005 0.000 0.277 408 T C 1.072 175.937 174.700 0.276 0.000 0.975 408 T CA -0.028 62.173 62.100 0.167 0.000 0.966 408 T CB 0.437 69.367 68.868 0.103 0.000 1.054 408 T HN 0.700 nan 8.240 nan 0.000 0.533 409 D N -0.490 120.056 120.400 0.243 0.000 2.403 409 D HA -0.120 4.522 4.640 0.005 0.000 0.227 409 D C 1.480 177.856 176.300 0.127 0.000 0.995 409 D CA 0.078 54.207 54.000 0.214 0.000 0.928 409 D CB -0.636 40.228 40.800 0.107 0.000 0.887 409 D HN 0.423 nan 8.370 nan 0.000 0.529 410 I N 0.669 121.280 120.570 0.068 0.000 2.335 410 I HA -0.229 3.944 4.170 0.005 0.000 0.251 410 I C 1.639 177.609 176.117 -0.246 0.000 1.129 410 I CA 1.057 62.273 61.300 -0.141 0.000 1.402 410 I CB -0.344 37.534 38.000 -0.203 0.000 1.069 410 I HN -0.101 nan 8.210 nan 0.000 0.424 411 S N 0.209 115.951 115.700 0.071 0.000 2.595 411 S HA -0.095 4.378 4.470 0.005 0.000 0.235 411 S C 1.529 176.285 174.600 0.259 0.000 0.974 411 S CA 0.566 58.916 58.200 0.250 0.000 0.942 411 S CB -0.539 62.978 63.200 0.528 0.000 0.766 411 S HN 0.577 nan 8.310 nan 0.000 0.536 412 E N 0.263 120.526 120.200 0.105 0.000 2.482 412 E HA 0.055 4.408 4.350 0.005 0.000 0.196 412 E C -0.278 176.301 176.600 -0.035 0.000 1.047 412 E CA 0.447 56.864 56.400 0.028 0.000 0.869 412 E CB -0.030 29.662 29.700 -0.014 0.000 0.836 412 E HN 0.334 nan 8.360 nan 0.000 0.520 413 M N 0.089 119.532 119.600 -0.262 0.000 2.628 413 M HA 0.250 4.733 4.480 0.005 0.000 0.327 413 M C 0.430 176.531 176.300 -0.333 0.000 1.223 413 M CA -0.285 54.747 55.300 -0.447 0.000 1.221 413 M CB 0.950 32.997 32.600 -0.922 0.000 1.202 413 M HN 0.091 nan 8.290 nan 0.000 0.473 414 G N 1.837 110.543 108.800 -0.157 0.000 2.269 414 G HA2 -0.218 3.745 3.960 0.005 0.000 0.277 414 G HA3 -0.218 3.745 3.960 0.005 0.000 0.277 414 G C 0.317 175.125 174.900 -0.153 0.000 1.008 414 G CA 0.387 45.416 45.100 -0.118 0.000 0.774 414 G HN 0.982 nan 8.290 nan 0.000 0.511 415 A N -0.025 122.700 122.820 -0.157 0.000 2.395 415 A HA 0.582 4.905 4.320 0.005 0.000 0.286 415 A C 0.312 177.769 177.584 -0.213 0.000 1.193 415 A CA -0.307 51.570 52.037 -0.266 0.000 0.852 415 A CB 0.204 19.177 19.000 -0.045 0.000 1.118 415 A HN 0.306 nan 8.150 nan 0.000 0.524 416 N N 1.914 120.526 118.700 -0.148 0.000 2.425 416 N HA 0.610 5.353 4.740 0.005 0.000 0.268 416 N C -1.240 174.161 175.510 -0.180 0.000 0.991 416 N CA 0.119 53.145 53.050 -0.040 0.000 0.931 416 N CB 0.708 39.237 38.487 0.070 0.000 1.130 416 N HN 0.459 nan 8.380 nan 0.000 0.493 417 F N -0.046 120.065 119.950 0.269 0.000 2.561 417 F HA 0.462 4.993 4.527 0.008 0.000 0.321 417 F C 1.110 177.051 175.800 0.235 0.000 1.065 417 F CA -0.990 57.168 58.000 0.263 0.000 0.934 417 F CB 1.830 41.000 39.000 0.283 0.000 1.215 417 F HN 0.121 nan 8.300 nan 0.000 0.471 418 R N 1.864 122.635 120.500 0.452 0.000 3.436 418 R HA 0.705 5.048 4.340 0.005 0.000 0.247 418 R C -0.805 175.620 176.300 0.209 0.000 1.434 418 R CA -0.099 56.158 56.100 0.261 0.000 1.543 418 R CB -0.142 30.257 30.300 0.165 0.000 1.289 418 R HN 0.822 nan 8.270 nan 0.000 0.664 419 A N -0.063 122.904 122.820 0.244 0.000 2.414 419 A HA 0.731 5.054 4.320 0.005 0.000 0.278 419 A C 0.617 178.284 177.584 0.139 0.000 1.228 419 A CA -0.357 51.778 52.037 0.164 0.000 0.857 419 A CB 1.418 20.557 19.000 0.232 0.000 1.389 419 A HN 0.524 nan 8.150 nan 0.000 0.452 420 G N -1.363 107.522 108.800 0.142 0.000 2.958 420 G HA2 0.401 4.364 3.960 0.005 0.000 0.225 420 G HA3 0.401 4.364 3.960 0.005 0.000 0.225 420 G C 0.367 175.376 174.900 0.182 0.000 1.036 420 G CA 0.143 45.352 45.100 0.182 0.000 0.880 420 G HN 0.681 nan 8.290 nan 0.000 0.557 421 R N 0.214 120.762 120.500 0.078 0.000 2.574 421 R HA 0.589 4.932 4.340 0.005 0.000 0.288 421 R C -1.972 174.318 176.300 -0.016 0.000 1.004 421 R CA -0.331 55.738 56.100 -0.052 0.000 0.895 421 R CB 2.478 32.487 30.300 -0.485 0.000 1.191 421 R HN -0.087 nan 8.270 nan 0.000 0.444 422 V N 6.418 126.379 119.914 0.078 0.000 2.357 422 V HA 0.414 4.537 4.120 0.005 0.000 0.284 422 V C -0.015 176.109 176.094 0.051 0.000 1.018 422 V CA -0.611 61.780 62.300 0.151 0.000 0.841 422 V CB 1.613 33.658 31.823 0.369 0.000 0.991 422 V HN 0.650 nan 8.190 nan 0.000 0.437 423 I N 4.449 124.968 120.570 -0.085 0.000 2.304 423 I HA 0.391 4.564 4.170 0.005 0.000 0.291 423 I C -0.535 175.476 176.117 -0.176 0.000 1.018 423 I CA -0.051 61.052 61.300 -0.328 0.000 1.260 423 I CB 1.248 38.722 38.000 -0.876 0.000 1.390 423 I HN 0.608 nan 8.210 nan 0.000 0.475 424 D N 9.018 129.379 120.400 -0.065 0.000 2.346 424 D HA 0.271 4.914 4.640 0.005 0.000 0.255 424 D C -1.989 174.374 176.300 0.104 0.000 1.276 424 D CA -1.858 52.242 54.000 0.166 0.000 0.941 424 D CB 1.700 42.693 40.800 0.321 0.000 1.199 424 D HN 0.170 nan 8.370 nan 0.000 0.537 425 P HA -0.022 nan 4.420 nan 0.000 0.251 425 P C 0.176 177.557 177.300 0.136 0.000 1.251 425 P CA 0.068 63.250 63.100 0.137 0.000 0.763 425 P CB 0.083 31.909 31.700 0.209 0.000 1.067 426 R N -1.507 119.081 120.500 0.147 0.000 3.758 426 R HA -0.163 4.180 4.340 0.005 0.000 0.299 426 R C -0.059 176.294 176.300 0.089 0.000 1.182 426 R CA 0.715 56.884 56.100 0.115 0.000 0.809 426 R CB -1.869 28.510 30.300 0.131 0.000 1.249 426 R HN 0.272 nan 8.270 nan 0.000 0.497 427 R N -1.215 119.347 120.500 0.102 0.000 2.939 427 R HA 0.826 5.168 4.340 0.005 0.000 0.254 427 R C -0.703 175.639 176.300 0.070 0.000 1.123 427 R CA 0.100 56.246 56.100 0.077 0.000 1.020 427 R CB 1.751 32.098 30.300 0.079 0.000 1.206 427 R HN 0.385 nan 8.270 nan 0.000 0.491 428 C N -1.323 118.001 119.300 0.040 0.000 3.231 428 C HA 0.467 4.930 4.460 0.005 0.000 0.343 428 C C -1.462 173.518 174.990 -0.016 0.000 1.349 428 C CA -1.308 57.723 59.018 0.023 0.000 1.209 428 C CB 0.023 27.775 27.740 0.019 0.000 1.475 428 C HN 0.657 nan 8.230 nan 0.000 0.460 429 L N 2.285 123.485 121.223 -0.039 0.000 2.289 429 L HA 0.623 4.965 4.340 0.005 0.000 0.285 429 L C 0.212 176.985 176.870 -0.161 0.000 1.049 429 L CA -0.232 54.555 54.840 -0.088 0.000 0.804 429 L CB 1.165 43.173 42.059 -0.085 0.000 1.195 429 L HN 0.889 nan 8.230 nan 0.000 0.428 430 K N 4.114 124.373 120.400 -0.235 0.000 2.221 430 K HA 0.620 4.943 4.320 0.005 0.000 0.258 430 K C -2.842 173.492 176.600 -0.443 0.000 0.944 430 K CA -1.891 54.119 56.287 -0.461 0.000 0.823 430 K CB 2.200 34.376 32.500 -0.540 0.000 1.113 430 K HN 0.151 nan 8.250 nan 0.000 0.431 431 P HA 0.115 nan 4.420 nan 0.000 0.280 431 P C -0.840 176.269 177.300 -0.318 0.000 1.244 431 P CA -0.473 62.413 63.100 -0.358 0.000 0.784 431 P CB 1.322 32.842 31.700 -0.299 0.000 0.913 432 V N 4.522 124.291 119.914 -0.242 0.000 2.789 432 V HA 0.379 4.501 4.120 0.005 0.000 0.311 432 V C 0.288 176.245 176.094 -0.228 0.000 1.073 432 V CA -0.713 61.475 62.300 -0.188 0.000 0.921 432 V CB 2.225 33.965 31.823 -0.138 0.000 1.009 432 V HN 0.359 nan 8.190 nan 0.000 0.426 433 I N 5.185 125.631 120.570 -0.207 0.000 2.291 433 I HA 0.281 4.454 4.170 0.005 0.000 0.290 433 I C -0.682 175.367 176.117 -0.114 0.000 1.050 433 I CA -0.503 60.637 61.300 -0.268 0.000 1.245 433 I CB 0.925 38.769 38.000 -0.259 0.000 1.405 433 I HN 0.249 nan 8.210 nan 0.000 0.478 434 L N 6.155 127.318 121.223 -0.101 0.000 2.380 434 L HA 0.253 4.596 4.340 0.005 0.000 0.273 434 L C 0.849 177.738 176.870 0.031 0.000 1.138 434 L CA 0.152 54.979 54.840 -0.023 0.000 0.832 434 L CB 0.433 42.483 42.059 -0.015 0.000 1.124 434 L HN 0.613 nan 8.230 nan 0.000 0.454 435 T N -1.311 113.275 114.554 0.053 0.000 3.427 435 T HA 0.487 4.840 4.350 0.005 0.000 0.306 435 T C -0.517 174.228 174.700 0.075 0.000 1.733 435 T CA -0.842 61.311 62.100 0.088 0.000 1.599 435 T CB -0.163 68.764 68.868 0.098 0.000 0.964 435 T HN 0.566 nan 8.240 nan 0.000 0.701 436 D N 0.090 120.534 120.400 0.074 0.000 2.736 436 D HA 0.494 5.137 4.640 0.005 0.000 0.243 436 D C 0.934 177.276 176.300 0.070 0.000 1.304 436 D CA -0.283 53.754 54.000 0.063 0.000 0.934 436 D CB 1.076 41.904 40.800 0.046 0.000 1.382 436 D HN 0.510 nan 8.370 nan 0.000 0.571 437 G N 3.529 112.371 108.800 0.070 0.000 2.620 437 G HA2 -0.260 3.702 3.960 0.005 0.000 0.315 437 G HA3 -0.260 3.702 3.960 0.005 0.000 0.315 437 G C -1.834 173.125 174.900 0.099 0.000 1.179 437 G CA 0.210 45.352 45.100 0.072 0.000 0.971 437 G HN 0.757 nan 8.290 nan 0.000 0.544 438 P HA 0.390 nan 4.420 nan 0.000 0.272 438 P C -0.624 176.798 177.300 0.203 0.000 1.223 438 P CA 0.079 63.266 63.100 0.145 0.000 0.784 438 P CB 1.127 32.896 31.700 0.114 0.000 0.923 439 E N 1.757 122.154 120.200 0.330 0.000 2.156 439 E HA 0.310 4.663 4.350 0.005 0.000 0.279 439 E C -0.098 176.821 176.600 0.530 0.000 0.965 439 E CA -0.730 55.931 56.400 0.434 0.000 0.789 439 E CB 0.742 30.806 29.700 0.608 0.000 1.098 439 E HN 0.420 nan 8.360 nan 0.000 0.397 440 R N 1.381 121.967 120.500 0.142 0.000 2.739 440 R HA 0.515 4.858 4.340 0.005 0.000 0.271 440 R C -1.760 174.227 176.300 -0.522 0.000 1.010 440 R CA -0.824 55.217 56.100 -0.099 0.000 0.897 440 R CB 1.225 31.574 30.300 0.081 0.000 1.236 440 R HN 0.223 nan 8.270 nan 0.000 0.466 441 V N 3.297 122.835 119.914 -0.627 0.000 2.435 441 V HA 0.480 4.603 4.120 0.005 0.000 0.290 441 V C 0.225 176.174 176.094 -0.241 0.000 1.030 441 V CA -0.626 61.364 62.300 -0.516 0.000 0.881 441 V CB 1.267 32.752 31.823 -0.564 0.000 0.983 441 V HN 0.713 nan 8.190 nan 0.000 0.445 442 I N 2.440 122.887 120.570 -0.204 0.000 2.846 442 I HA 0.604 4.777 4.170 0.005 0.000 0.307 442 I C -1.060 174.954 176.117 -0.171 0.000 1.053 442 I CA -1.046 60.169 61.300 -0.143 0.000 1.050 442 I CB 1.835 39.783 38.000 -0.086 0.000 1.239 442 I HN 0.195 nan 8.210 nan 0.000 0.439 443 L N 4.012 125.138 121.223 -0.161 0.000 2.302 443 L HA 0.514 4.857 4.340 0.005 0.000 0.285 443 L C 0.656 177.453 176.870 -0.122 0.000 1.090 443 L CA -0.159 54.584 54.840 -0.162 0.000 0.866 443 L CB -0.094 41.867 42.059 -0.165 0.000 1.244 443 L HN 0.890 nan 8.230 nan 0.000 0.435 444 A N 2.600 125.340 122.820 -0.133 0.000 2.445 444 A HA 0.633 4.956 4.320 0.005 0.000 0.242 444 A C 0.943 178.476 177.584 -0.083 0.000 1.075 444 A CA 0.748 52.726 52.037 -0.099 0.000 0.777 444 A CB 0.177 19.114 19.000 -0.106 0.000 1.013 444 A HN 1.070 nan 8.150 nan 0.000 0.493 445 G N 1.383 110.152 108.800 -0.052 0.000 2.472 445 G HA2 -0.014 3.949 3.960 0.005 0.000 0.205 445 G HA3 -0.014 3.949 3.960 0.005 0.000 0.205 445 G C -2.598 172.289 174.900 -0.022 0.000 1.270 445 G CA -0.366 44.713 45.100 -0.034 0.000 0.974 445 G HN 1.093 nan 8.290 nan 0.000 0.542 446 P HA 0.397 nan 4.420 nan 0.000 0.260 446 P C 0.148 177.449 177.300 0.002 0.000 1.185 446 P CA 0.646 63.745 63.100 -0.002 0.000 0.763 446 P CB -0.120 31.590 31.700 0.017 0.000 0.776 447 I N 1.429 121.997 120.570 -0.004 0.000 3.067 447 I HA 0.653 4.826 4.170 0.005 0.000 0.312 447 I C -2.606 173.520 176.117 0.015 0.000 1.073 447 I CA -3.609 57.693 61.300 0.003 0.000 1.016 447 I CB 2.036 40.029 38.000 -0.012 0.000 1.227 447 I HN 0.055 nan 8.210 nan 0.000 0.456 448 P HA 0.068 nan 4.420 nan 0.000 0.271 448 P C -0.064 177.253 177.300 0.028 0.000 1.218 448 P CA -0.076 63.045 63.100 0.035 0.000 0.780 448 P CB 1.215 32.938 31.700 0.039 0.000 0.901 449 V N 0.560 120.491 119.914 0.028 0.000 3.441 449 V HA 0.338 4.461 4.120 0.005 0.000 0.300 449 V C 0.630 176.736 176.094 0.019 0.000 1.091 449 V CA -0.270 62.041 62.300 0.019 0.000 1.099 449 V CB -0.570 31.252 31.823 -0.002 0.000 1.138 449 V HN 0.715 nan 8.190 nan 0.000 0.471 450 T N -0.466 114.103 114.554 0.026 0.000 2.918 450 T HA 0.331 4.684 4.350 0.005 0.000 0.302 450 T C -1.330 173.356 174.700 -0.023 0.000 1.045 450 T CA -0.862 61.255 62.100 0.028 0.000 1.114 450 T CB 0.860 69.769 68.868 0.069 0.000 0.965 450 T HN 0.727 nan 8.240 nan 0.000 0.540 451 P HA -0.154 nan 4.420 nan 0.000 0.216 451 P C 1.635 178.860 177.300 -0.126 0.000 1.150 451 P CA 1.495 64.541 63.100 -0.090 0.000 0.837 451 P CB -0.293 31.369 31.700 -0.063 0.000 0.786 452 A N 0.334 123.110 122.820 -0.074 0.000 1.859 452 A HA -0.226 4.097 4.320 0.005 0.000 0.217 452 A C 2.689 180.197 177.584 -0.128 0.000 1.198 452 A CA 2.671 54.655 52.037 -0.088 0.000 0.629 452 A CB -1.748 17.244 19.000 -0.013 0.000 0.830 452 A HN 0.276 nan 8.150 nan 0.000 0.446 453 S N -0.713 114.940 115.700 -0.079 0.000 2.400 453 S HA -0.057 4.415 4.470 0.005 0.000 0.232 453 S C 2.086 176.569 174.600 -0.195 0.000 1.025 453 S CA 1.617 59.754 58.200 -0.104 0.000 0.993 453 S CB -0.510 62.663 63.200 -0.044 0.000 0.808 453 S HN 0.830 nan 8.310 nan 0.000 0.478 454 A N 1.552 124.256 122.820 -0.194 0.000 1.841 454 A HA 0.219 4.542 4.320 0.005 0.000 0.214 454 A C 2.518 179.864 177.584 -0.397 0.000 1.195 454 A CA 1.812 53.698 52.037 -0.252 0.000 0.611 454 A CB -1.602 17.258 19.000 -0.234 0.000 0.835 454 A HN 0.794 nan 8.150 nan 0.000 0.443 455 A N -1.278 121.300 122.820 -0.404 0.000 1.997 455 A HA -0.267 4.056 4.320 0.005 0.000 0.221 455 A C 2.131 179.493 177.584 -0.370 0.000 1.172 455 A CA 1.970 53.750 52.037 -0.428 0.000 0.645 455 A CB -0.488 18.320 19.000 -0.319 0.000 0.813 455 A HN 0.568 nan 8.150 nan 0.000 0.454 456 Q N -0.867 118.743 119.800 -0.317 0.000 2.096 456 Q HA -0.044 4.299 4.340 0.005 0.000 0.197 456 Q C 2.345 178.197 176.000 -0.247 0.000 0.964 456 Q CA 1.100 56.740 55.803 -0.271 0.000 0.838 456 Q CB -0.240 28.352 28.738 -0.244 0.000 0.906 456 Q HN 0.735 nan 8.270 nan 0.000 0.444 457 R N 0.369 120.649 120.500 -0.367 0.000 2.073 457 R HA -0.070 4.272 4.340 0.005 0.000 0.234 457 R C 2.398 178.615 176.300 -0.138 0.000 1.134 457 R CA 1.084 56.902 56.100 -0.470 0.000 0.952 457 R CB -0.327 29.494 30.300 -0.799 0.000 0.850 457 R HN 0.121 nan 8.270 nan 0.000 0.433 458 R N 0.721 120.992 120.500 -0.380 0.000 2.117 458 R HA -0.144 4.199 4.340 0.005 0.000 0.243 458 R C 2.190 178.356 176.300 -0.224 0.000 1.143 458 R CA 1.792 57.547 56.100 -0.575 0.000 0.968 458 R CB -0.628 28.912 30.300 -1.268 0.000 0.863 458 R HN 0.353 nan 8.270 nan 0.000 0.444 459 G N 1.383 110.065 108.800 -0.197 0.000 2.503 459 G HA2 -0.295 3.668 3.960 0.005 0.000 0.221 459 G HA3 -0.295 3.668 3.960 0.005 0.000 0.221 459 G C 1.322 176.241 174.900 0.032 0.000 1.131 459 G CA 0.549 45.593 45.100 -0.095 0.000 0.756 459 G HN 0.279 nan 8.290 nan 0.000 0.572 460 R N -0.303 120.275 120.500 0.130 0.000 2.117 460 R HA -0.012 4.330 4.340 0.005 0.000 0.243 460 R C 0.960 177.393 176.300 0.222 0.000 1.143 460 R CA 0.328 56.584 56.100 0.261 0.000 0.968 460 R CB -0.905 29.653 30.300 0.430 0.000 0.863 460 R HN 0.405 nan 8.270 nan 0.000 0.444 461 I N -0.574 120.099 120.570 0.171 0.000 2.677 461 I HA 0.284 4.457 4.170 0.005 0.000 0.305 461 I C 0.868 177.047 176.117 0.103 0.000 0.988 461 I CA 0.414 61.806 61.300 0.154 0.000 1.260 461 I CB 1.286 39.387 38.000 0.170 0.000 1.410 461 I HN 0.562 nan 8.210 nan 0.000 0.523 462 G N 4.987 113.846 108.800 0.099 0.000 2.256 462 G HA2 -0.262 3.701 3.960 0.005 0.000 0.272 462 G HA3 -0.262 3.701 3.960 0.005 0.000 0.272 462 G C 0.651 175.588 174.900 0.062 0.000 1.076 462 G CA 0.594 45.734 45.100 0.067 0.000 0.882 462 G HN 0.779 nan 8.290 nan 0.000 0.497 463 R N -1.826 118.721 120.500 0.079 0.000 2.369 463 R HA 0.193 4.536 4.340 0.005 0.000 0.210 463 R C -0.032 176.314 176.300 0.075 0.000 0.881 463 R CA -0.020 56.128 56.100 0.080 0.000 1.031 463 R CB 0.301 30.657 30.300 0.092 0.000 1.184 463 R HN 0.247 nan 8.270 nan 0.000 0.581 464 N N 2.604 121.349 118.700 0.075 0.000 2.408 464 N HA 0.338 5.081 4.740 0.005 0.000 0.280 464 N C -2.750 172.788 175.510 0.045 0.000 1.002 464 N CA -2.200 50.891 53.050 0.068 0.000 0.907 464 N CB 1.391 39.930 38.487 0.087 0.000 1.161 464 N HN -0.100 nan 8.380 nan 0.000 0.488 465 P HA 0.151 nan 4.420 nan 0.000 0.264 465 P C -1.121 176.203 177.300 0.039 0.000 1.183 465 P CA 0.128 63.211 63.100 -0.029 0.000 0.763 465 P CB 0.531 32.219 31.700 -0.020 0.000 0.807 466 A N 2.773 125.552 122.820 -0.067 0.000 2.520 466 A HA 0.375 4.698 4.320 0.005 0.000 0.298 466 A C 0.781 178.300 177.584 -0.108 0.000 1.051 466 A CA -0.561 51.496 52.037 0.033 0.000 0.690 466 A CB 1.317 20.349 19.000 0.054 0.000 1.281 466 A HN 0.399 nan 8.150 nan 0.000 0.402 467 Q N 0.923 120.800 119.800 0.128 0.000 2.118 467 Q HA -0.163 4.180 4.340 0.005 0.000 0.211 467 Q C 0.050 176.030 176.000 -0.035 0.000 0.998 467 Q CA 2.011 57.891 55.803 0.127 0.000 0.872 467 Q CB -0.313 28.627 28.738 0.336 0.000 0.925 467 Q HN 0.700 nan 8.270 nan 0.000 0.414 468 E N 1.479 121.672 120.200 -0.011 0.000 2.179 468 E HA 0.208 4.561 4.350 0.005 0.000 0.275 468 E C -0.805 175.774 176.600 -0.035 0.000 0.945 468 E CA -0.639 55.742 56.400 -0.031 0.000 0.792 468 E CB 1.040 30.735 29.700 -0.008 0.000 1.125 468 E HN 0.145 nan 8.360 nan 0.000 0.397 469 D N 2.243 122.611 120.400 -0.054 0.000 2.488 469 D HA 0.012 4.655 4.640 0.005 0.000 0.238 469 D C -0.415 175.903 176.300 0.029 0.000 1.138 469 D CA 0.406 54.384 54.000 -0.037 0.000 0.873 469 D CB 0.519 41.291 40.800 -0.045 0.000 1.183 469 D HN 0.207 nan 8.370 nan 0.000 0.458 470 D N 0.909 121.338 120.400 0.048 0.000 2.400 470 D HA 0.072 4.714 4.640 0.005 0.000 0.238 470 D C 0.400 176.770 176.300 0.117 0.000 1.157 470 D CA 0.286 54.346 54.000 0.100 0.000 0.889 470 D CB 0.383 41.244 40.800 0.101 0.000 1.199 470 D HN 0.265 nan 8.370 nan 0.000 0.436 471 Q N 0.885 120.772 119.800 0.145 0.000 2.340 471 Q HA 0.344 4.686 4.340 0.005 0.000 0.268 471 Q C -1.505 174.607 176.000 0.187 0.000 1.031 471 Q CA -1.094 54.796 55.803 0.145 0.000 0.804 471 Q CB 1.359 30.164 28.738 0.112 0.000 1.286 471 Q HN 0.540 nan 8.270 nan 0.000 0.448 472 Y N 3.083 123.441 120.300 0.097 0.000 2.454 472 Y HA 0.393 4.946 4.550 0.005 0.000 0.345 472 Y C -1.356 174.657 175.900 0.189 0.000 0.970 472 Y CA -0.941 57.237 58.100 0.130 0.000 1.204 472 Y CB 0.920 39.465 38.460 0.142 0.000 1.122 472 Y HN 0.519 nan 8.280 nan 0.000 0.514 473 V N 9.446 129.230 119.914 -0.218 0.000 2.318 473 V HA 0.267 4.390 4.120 0.005 0.000 0.271 473 V C -0.250 175.587 176.094 -0.429 0.000 1.030 473 V CA -0.482 61.627 62.300 -0.319 0.000 0.844 473 V CB -0.895 30.746 31.823 -0.303 0.000 1.015 473 V HN 0.630 nan 8.190 nan 0.000 0.460 474 F N 2.311 121.896 119.950 -0.608 0.000 2.631 474 F HA 0.933 5.463 4.527 0.005 0.000 0.350 474 F C -0.038 175.625 175.800 -0.227 0.000 1.080 474 F CA -1.511 56.187 58.000 -0.504 0.000 1.026 474 F CB 1.989 40.624 39.000 -0.607 0.000 1.347 474 F HN 0.265 nan 8.300 nan 0.000 0.501 475 S N 0.516 116.208 115.700 -0.013 0.000 2.649 475 S HA 0.614 5.087 4.470 0.005 0.000 0.274 475 S C -0.631 174.041 174.600 0.119 0.000 1.176 475 S CA 0.210 58.370 58.200 -0.067 0.000 0.988 475 S CB 0.322 63.487 63.200 -0.058 0.000 1.071 475 S HN 2.262 nan 8.310 nan 0.000 0.478 476 G N 3.943 112.824 108.800 0.136 0.000 2.712 476 G HA2 -0.057 3.906 3.960 0.005 0.000 0.686 476 G HA3 -0.057 3.906 3.960 0.005 0.000 0.686 476 G C -1.450 173.577 174.900 0.212 0.000 1.321 476 G CA -0.664 44.526 45.100 0.149 0.000 0.813 476 G HN 0.724 nan 8.290 nan 0.000 0.599 477 D N 2.015 122.505 120.400 0.149 0.000 2.225 477 D HA 0.587 5.230 4.640 0.005 0.000 0.248 477 D C -1.437 174.911 176.300 0.080 0.000 1.096 477 D CA -0.515 53.560 54.000 0.126 0.000 0.863 477 D CB 1.137 42.001 40.800 0.107 0.000 1.156 477 D HN 0.387 nan 8.370 nan 0.000 0.450 478 P HA 0.202 nan 4.420 nan 0.000 0.271 478 P C -1.042 176.277 177.300 0.031 0.000 1.244 478 P CA -0.651 62.467 63.100 0.030 0.000 0.793 478 P CB 0.481 32.177 31.700 -0.007 0.000 0.984 479 L N 0.392 121.633 121.223 0.029 0.000 2.356 479 L HA 0.330 4.673 4.340 0.005 0.000 0.277 479 L C 0.899 177.790 176.870 0.035 0.000 0.996 479 L CA -0.176 54.683 54.840 0.031 0.000 0.822 479 L CB 1.323 43.401 42.059 0.032 0.000 1.256 479 L HN 0.215 nan 8.230 nan 0.000 0.413 480 K N 2.315 122.734 120.400 0.031 0.000 2.002 480 K HA -0.104 4.219 4.320 0.005 0.000 0.209 480 K C 0.311 176.941 176.600 0.049 0.000 1.048 480 K CA 1.269 57.576 56.287 0.033 0.000 0.930 480 K CB -0.091 32.421 32.500 0.019 0.000 0.714 480 K HN 0.714 nan 8.250 nan 0.000 0.438 481 N N 2.325 121.050 118.700 0.041 0.000 2.427 481 N HA -0.075 4.667 4.740 0.005 0.000 0.269 481 N C -0.862 174.701 175.510 0.087 0.000 1.235 481 N CA 0.067 53.145 53.050 0.048 0.000 0.934 481 N CB 0.498 39.004 38.487 0.030 0.000 1.121 481 N HN 0.107 nan 8.380 nan 0.000 0.480 482 D N 1.548 122.033 120.400 0.143 0.000 2.720 482 D HA 0.074 4.717 4.640 0.005 0.000 0.285 482 D C 0.129 176.628 176.300 0.332 0.000 1.359 482 D CA -0.176 53.975 54.000 0.252 0.000 0.818 482 D CB -0.208 40.817 40.800 0.374 0.000 1.108 482 D HN 0.479 nan 8.370 nan 0.000 0.474 483 E N 0.636 120.928 120.200 0.154 0.000 2.516 483 E HA -0.075 4.278 4.350 0.005 0.000 0.199 483 E C 0.885 177.585 176.600 0.167 0.000 1.069 483 E CA 0.882 57.336 56.400 0.091 0.000 0.876 483 E CB 0.250 29.946 29.700 -0.007 0.000 0.843 483 E HN 0.399 nan 8.360 nan 0.000 0.530 484 D N -1.714 118.793 120.400 0.179 0.000 2.398 484 D HA -0.080 4.563 4.640 0.005 0.000 0.210 484 D C 0.012 176.409 176.300 0.161 0.000 1.094 484 D CA -0.308 53.775 54.000 0.138 0.000 0.839 484 D CB -0.536 40.299 40.800 0.060 0.000 0.963 484 D HN 0.220 nan 8.370 nan 0.000 0.506 485 H N 0.229 119.386 119.070 0.146 0.000 3.034 485 H HA 0.245 4.803 4.556 0.005 0.000 0.324 485 H C 1.478 176.787 175.328 -0.031 0.000 1.015 485 H CA 0.331 56.378 56.048 -0.002 0.000 1.429 485 H CB 1.431 31.155 29.762 -0.064 0.000 1.429 485 H HN 0.080 nan 8.280 nan 0.000 0.585 486 A N 4.241 127.159 122.820 0.163 0.000 1.902 486 A HA -0.222 4.101 4.320 0.005 0.000 0.217 486 A C 1.969 179.601 177.584 0.080 0.000 1.181 486 A CA 1.732 53.813 52.037 0.073 0.000 0.623 486 A CB -0.818 18.160 19.000 -0.036 0.000 0.818 486 A HN 1.029 nan 8.150 nan 0.000 0.443 487 H N -2.124 116.868 119.070 -0.129 0.000 2.362 487 H HA -0.290 4.269 4.556 0.005 0.000 0.294 487 H C 2.016 177.088 175.328 -0.427 0.000 1.113 487 H CA 1.687 57.435 56.048 -0.500 0.000 1.253 487 H CB -0.158 28.965 29.762 -1.064 0.000 1.363 487 H HN 0.799 nan 8.280 nan 0.000 0.494 488 W N -0.165 121.130 121.300 -0.008 0.000 2.378 488 W HA -0.177 4.485 4.660 0.004 0.000 0.313 488 W C 3.024 179.511 176.519 -0.055 0.000 1.197 488 W CA 1.180 58.508 57.345 -0.029 0.000 1.304 488 W CB -0.752 28.707 29.460 -0.002 0.000 1.148 488 W HN 0.056 nan 8.180 nan 0.000 0.494 489 T N -0.500 114.162 114.554 0.180 0.000 2.962 489 T HA -0.173 4.179 4.350 0.005 0.000 0.270 489 T C 1.530 176.063 174.700 -0.279 0.000 1.088 489 T CA 1.687 63.773 62.100 -0.024 0.000 1.127 489 T CB -0.176 68.740 68.868 0.081 0.000 0.883 489 T HN 0.190 nan 8.240 nan 0.000 0.493 490 E N -0.254 119.868 120.200 -0.130 0.000 2.158 490 E HA 0.141 4.494 4.350 0.005 0.000 0.191 490 E C 2.355 178.846 176.600 -0.182 0.000 0.982 490 E CA 0.731 57.042 56.400 -0.148 0.000 0.823 490 E CB -0.194 29.492 29.700 -0.023 0.000 0.766 490 E HN 0.662 nan 8.360 nan 0.000 0.468 491 A N 0.965 123.702 122.820 -0.140 0.000 1.970 491 A HA -0.103 4.220 4.320 0.005 0.000 0.216 491 A C 1.935 179.464 177.584 -0.092 0.000 1.170 491 A CA 0.781 52.756 52.037 -0.102 0.000 0.645 491 A CB -0.096 18.877 19.000 -0.046 0.000 0.816 491 A HN -0.040 nan 8.150 nan 0.000 0.447 492 K N 0.275 120.594 120.400 -0.135 0.000 2.032 492 K HA -0.178 4.145 4.320 0.005 0.000 0.209 492 K C 2.085 178.542 176.600 -0.239 0.000 1.048 492 K CA 2.006 58.221 56.287 -0.121 0.000 0.927 492 K CB -0.594 31.872 32.500 -0.056 0.000 0.712 492 K HN 0.829 nan 8.250 nan 0.000 0.441 493 M N -0.903 118.308 119.600 -0.648 0.000 2.319 493 M HA -0.057 4.426 4.480 0.005 0.000 0.265 493 M C 1.846 178.047 176.300 -0.166 0.000 1.068 493 M CA 1.198 56.148 55.300 -0.583 0.000 1.118 493 M CB -0.292 31.651 32.600 -1.094 0.000 1.395 493 M HN -0.123 nan 8.290 nan 0.000 0.435 494 L N 0.995 122.180 121.223 -0.063 0.000 2.044 494 L HA -0.008 4.335 4.340 0.005 0.000 0.205 494 L C 2.302 179.191 176.870 0.030 0.000 1.075 494 L CA 1.443 56.320 54.840 0.061 0.000 0.747 494 L CB -1.060 40.982 42.059 -0.029 0.000 0.903 494 L HN 0.353 nan 8.230 nan 0.000 0.435 495 L N 0.384 121.611 121.223 0.006 0.000 1.961 495 L HA -0.186 4.157 4.340 0.005 0.000 0.210 495 L C 1.608 178.524 176.870 0.076 0.000 1.072 495 L CA 2.201 57.066 54.840 0.042 0.000 0.749 495 L CB -1.231 40.869 42.059 0.068 0.000 0.889 495 L HN 0.598 nan 8.230 nan 0.000 0.432 496 D N -2.088 118.368 120.400 0.093 0.000 2.346 496 D HA -0.082 4.561 4.640 0.005 0.000 0.248 496 D C 0.691 177.079 176.300 0.147 0.000 1.173 496 D CA 0.201 54.281 54.000 0.134 0.000 0.878 496 D CB -0.883 40.007 40.800 0.150 0.000 0.919 496 D HN 0.341 nan 8.370 nan 0.000 0.513 497 N N -0.012 118.748 118.700 0.100 0.000 2.204 497 N HA 0.187 4.930 4.740 0.005 0.000 0.219 497 N C -0.315 175.145 175.510 -0.085 0.000 1.151 497 N CA -0.190 52.889 53.050 0.049 0.000 0.867 497 N CB 1.162 39.706 38.487 0.095 0.000 1.043 497 N HN 0.313 nan 8.380 nan 0.000 0.516 498 I N 1.316 121.887 120.570 0.002 0.000 2.312 498 I HA 0.214 4.386 4.170 0.005 0.000 0.290 498 I C -0.046 176.171 176.117 0.167 0.000 1.008 498 I CA -0.614 60.662 61.300 -0.039 0.000 1.226 498 I CB 0.609 38.573 38.000 -0.060 0.000 1.371 498 I HN -0.105 nan 8.210 nan 0.000 0.468 499 Y N 3.934 124.244 120.300 0.017 0.000 2.301 499 Y HA 0.356 4.909 4.550 0.005 0.000 0.328 499 Y C 1.089 177.026 175.900 0.062 0.000 1.242 499 Y CA -0.882 57.240 58.100 0.037 0.000 1.323 499 Y CB 1.747 40.222 38.460 0.024 0.000 1.266 499 Y HN 0.486 nan 8.280 nan 0.000 0.527 500 T N -1.618 113.075 114.554 0.231 0.000 2.908 500 T HA 0.320 4.673 4.350 0.005 0.000 0.290 500 T C -2.299 172.461 174.700 0.100 0.000 1.034 500 T CA -2.323 59.877 62.100 0.167 0.000 1.010 500 T CB 1.835 70.792 68.868 0.147 0.000 1.068 500 T HN 0.286 nan 8.240 nan 0.000 0.481 501 P HA 0.164 nan 4.420 nan 0.000 0.233 501 P C 0.507 177.824 177.300 0.028 0.000 1.167 501 P CA 0.503 63.633 63.100 0.050 0.000 0.770 501 P CB 0.133 31.861 31.700 0.047 0.000 0.837 502 E N -1.107 119.112 120.200 0.031 0.000 2.481 502 E HA 0.297 4.649 4.350 0.005 0.000 0.198 502 E C 1.223 177.824 176.600 0.003 0.000 1.027 502 E CA 0.339 56.747 56.400 0.015 0.000 0.900 502 E CB -0.620 29.089 29.700 0.016 0.000 0.993 502 E HN 0.079 nan 8.360 nan 0.000 0.482 503 G N 1.398 110.197 108.800 -0.002 0.000 2.249 503 G HA2 -0.245 3.717 3.960 0.005 0.000 0.273 503 G HA3 -0.245 3.717 3.960 0.005 0.000 0.273 503 G C -0.056 174.833 174.900 -0.017 0.000 1.036 503 G CA 0.098 45.179 45.100 -0.031 0.000 0.824 503 G HN 0.160 nan 8.290 nan 0.000 0.504 504 I N 0.366 120.943 120.570 0.011 0.000 2.412 504 I HA 0.438 4.611 4.170 0.005 0.000 0.296 504 I C 1.008 177.151 176.117 0.043 0.000 0.987 504 I CA -1.876 59.436 61.300 0.019 0.000 1.180 504 I CB 1.463 39.474 38.000 0.018 0.000 1.340 504 I HN -0.001 nan 8.210 nan 0.000 0.455 505 I N 7.358 127.953 120.570 0.041 0.000 2.471 505 I HA 0.155 4.327 4.170 0.005 0.000 0.286 505 I C -1.934 174.229 176.117 0.077 0.000 1.079 505 I CA -1.393 59.947 61.300 0.068 0.000 1.398 505 I CB 0.489 38.523 38.000 0.057 0.000 1.403 505 I HN 0.304 nan 8.210 nan 0.000 0.530 506 P HA 0.270 nan 4.420 nan 0.000 0.279 506 P C -0.862 176.504 177.300 0.110 0.000 1.239 506 P CA -0.322 62.847 63.100 0.114 0.000 0.789 506 P CB 0.875 32.682 31.700 0.178 0.000 0.933 507 T N 1.698 116.313 114.554 0.102 0.000 2.932 507 T HA 0.398 4.751 4.350 0.005 0.000 0.289 507 T C 0.055 174.833 174.700 0.129 0.000 1.039 507 T CA -0.839 61.321 62.100 0.099 0.000 1.024 507 T CB 0.613 69.520 68.868 0.066 0.000 1.090 507 T HN 0.051 nan 8.240 nan 0.000 0.496 508 L N 2.086 123.384 121.223 0.125 0.000 2.543 508 L HA 0.154 4.497 4.340 0.005 0.000 0.285 508 L C 0.219 177.195 176.870 0.177 0.000 1.236 508 L CA -0.039 54.898 54.840 0.162 0.000 0.871 508 L CB -0.598 41.534 42.059 0.122 0.000 1.121 508 L HN 0.646 nan 8.230 nan 0.000 0.501 509 F N 3.649 123.669 119.950 0.118 0.000 2.578 509 F HA 0.374 4.905 4.527 0.006 0.000 0.381 509 F C 1.454 177.298 175.800 0.075 0.000 1.069 509 F CA 0.257 58.328 58.000 0.118 0.000 1.231 509 F CB 0.123 39.250 39.000 0.212 0.000 1.086 509 F HN 0.749 nan 8.300 nan 0.000 0.564 510 G N 6.757 115.200 108.800 -0.594 0.000 3.652 510 G HA2 -0.393 3.570 3.960 0.005 0.000 0.270 510 G HA3 -0.393 3.570 3.960 0.005 0.000 0.270 510 G C -0.894 173.677 174.900 -0.547 0.000 0.886 510 G CA 0.922 45.635 45.100 -0.646 0.000 0.746 510 G HN 0.645 nan 8.290 nan 0.000 1.316 511 P HA -0.076 nan 4.420 nan 0.000 0.216 511 P C 1.414 178.549 177.300 -0.276 0.000 1.150 511 P CA 2.019 64.919 63.100 -0.332 0.000 0.843 511 P CB -0.224 31.336 31.700 -0.233 0.000 0.787 512 E N -0.670 119.374 120.200 -0.261 0.000 2.338 512 E HA -0.127 4.226 4.350 0.005 0.000 0.197 512 E C 2.263 178.704 176.600 -0.265 0.000 1.007 512 E CA 0.161 56.431 56.400 -0.217 0.000 0.849 512 E CB -0.275 29.488 29.700 0.106 0.000 0.774 512 E HN 0.177 nan 8.360 nan 0.000 0.506 513 R N 1.281 121.668 120.500 -0.190 0.000 2.096 513 R HA -0.197 4.146 4.340 0.005 0.000 0.240 513 R C 1.981 178.176 176.300 -0.173 0.000 1.139 513 R CA 1.547 57.568 56.100 -0.133 0.000 0.952 513 R CB -0.046 30.190 30.300 -0.107 0.000 0.854 513 R HN 0.086 nan 8.270 nan 0.000 0.436 514 E N -0.260 119.815 120.200 -0.208 0.000 2.510 514 E HA -0.185 4.168 4.350 0.005 0.000 0.202 514 E C 1.085 177.537 176.600 -0.246 0.000 1.072 514 E CA 0.808 57.095 56.400 -0.188 0.000 0.883 514 E CB 0.242 29.843 29.700 -0.165 0.000 0.818 514 E HN 0.138 nan 8.360 nan 0.000 0.548 515 K N -0.305 119.853 120.400 -0.402 0.000 2.186 515 K HA -0.005 4.318 4.320 0.005 0.000 0.202 515 K C 0.584 177.038 176.600 -0.243 0.000 1.052 515 K CA 0.944 56.907 56.287 -0.540 0.000 0.965 515 K CB 0.398 32.027 32.500 -1.451 0.000 0.746 515 K HN 0.085 nan 8.250 nan 0.000 0.457 516 T N -0.659 113.823 114.554 -0.120 0.000 2.767 516 T HA 0.221 4.574 4.350 0.005 0.000 0.288 516 T C 0.538 175.252 174.700 0.023 0.000 0.963 516 T CA -0.775 61.344 62.100 0.032 0.000 1.019 516 T CB 1.574 70.507 68.868 0.108 0.000 0.923 516 T HN -0.134 nan 8.240 nan 0.000 0.468 517 Q N 1.089 120.918 119.800 0.050 0.000 2.392 517 Q HA 0.301 4.644 4.340 0.005 0.000 0.203 517 Q C 1.100 177.129 176.000 0.048 0.000 0.917 517 Q CA -0.029 55.795 55.803 0.034 0.000 0.939 517 Q CB 0.169 28.923 28.738 0.028 0.000 1.063 517 Q HN 0.953 nan 8.270 nan 0.000 0.516 518 A N 1.605 124.481 122.820 0.094 0.000 2.466 518 A HA 0.274 4.597 4.320 0.005 0.000 0.238 518 A C 0.557 178.168 177.584 0.044 0.000 1.074 518 A CA -0.320 51.767 52.037 0.082 0.000 0.774 518 A CB -0.179 18.963 19.000 0.237 0.000 1.015 518 A HN 0.383 nan 8.150 nan 0.000 0.498 519 I N -0.848 119.714 120.570 -0.013 0.000 2.662 519 I HA 0.359 4.532 4.170 0.005 0.000 0.291 519 I C -0.630 175.490 176.117 0.005 0.000 1.046 519 I CA -0.958 60.335 61.300 -0.011 0.000 1.361 519 I CB 0.509 38.489 38.000 -0.034 0.000 1.429 519 I HN 0.402 nan 8.210 nan 0.000 0.558 520 D N 3.889 124.303 120.400 0.023 0.000 2.455 520 D HA 0.274 4.917 4.640 0.005 0.000 0.241 520 D C 1.202 177.523 176.300 0.036 0.000 1.138 520 D CA 1.388 55.417 54.000 0.048 0.000 0.877 520 D CB 1.140 41.965 40.800 0.041 0.000 1.187 520 D HN 1.014 nan 8.370 nan 0.000 0.451 521 G N 2.730 111.574 108.800 0.073 0.000 2.267 521 G HA2 -0.422 3.541 3.960 0.005 0.000 0.257 521 G HA3 -0.422 3.541 3.960 0.005 0.000 0.257 521 G C 1.075 175.989 174.900 0.023 0.000 0.998 521 G CA 0.823 45.962 45.100 0.065 0.000 0.620 521 G HN 0.643 nan 8.290 nan 0.000 0.529 522 E N -0.226 119.931 120.200 -0.072 0.000 2.233 522 E HA -0.089 4.264 4.350 0.005 0.000 0.199 522 E C 1.785 178.220 176.600 -0.275 0.000 1.004 522 E CA 1.546 57.813 56.400 -0.221 0.000 0.819 522 E CB -0.404 29.069 29.700 -0.379 0.000 0.738 522 E HN 0.546 nan 8.360 nan 0.000 0.478 523 F N 1.105 121.025 119.950 -0.050 0.000 2.797 523 F HA 0.209 4.739 4.527 0.005 0.000 0.302 523 F C 1.240 177.012 175.800 -0.047 0.000 1.130 523 F CA -0.264 57.661 58.000 -0.125 0.000 1.387 523 F CB -0.013 38.804 39.000 -0.305 0.000 1.107 523 F HN -0.167 nan 8.300 nan 0.000 0.577 524 R N 1.355 121.934 120.500 0.132 0.000 2.538 524 R HA 0.142 4.485 4.340 0.005 0.000 0.282 524 R C -1.117 175.246 176.300 0.104 0.000 1.009 524 R CA -0.029 56.147 56.100 0.126 0.000 1.063 524 R CB 0.161 30.537 30.300 0.127 0.000 0.945 524 R HN -0.003 nan 8.270 nan 0.000 0.414 525 L N 5.247 126.520 121.223 0.084 0.000 2.319 525 L HA 0.397 4.740 4.340 0.005 0.000 0.281 525 L C 0.058 176.969 176.870 0.068 0.000 1.005 525 L CA -0.221 54.639 54.840 0.033 0.000 0.828 525 L CB 1.318 43.348 42.059 -0.048 0.000 1.227 525 L HN 0.598 nan 8.230 nan 0.000 0.415 526 R N 1.656 122.192 120.500 0.061 0.000 2.574 526 R HA 0.622 4.964 4.340 0.005 0.000 0.266 526 R C 0.698 177.034 176.300 0.059 0.000 1.157 526 R CA 0.332 56.485 56.100 0.088 0.000 1.187 526 R CB 0.433 30.768 30.300 0.059 0.000 1.179 526 R HN 0.833 nan 8.270 nan 0.000 0.600 527 G N 1.126 109.968 108.800 0.070 0.000 2.614 527 G HA2 -0.405 3.558 3.960 0.005 0.000 0.303 527 G HA3 -0.405 3.558 3.960 0.005 0.000 0.303 527 G C 0.253 175.173 174.900 0.032 0.000 1.270 527 G CA 0.962 46.089 45.100 0.045 0.000 0.988 527 G HN 0.758 nan 8.290 nan 0.000 0.551 528 E N 0.046 120.258 120.200 0.019 0.000 2.501 528 E HA 0.400 4.753 4.350 0.005 0.000 0.200 528 E C 1.837 178.444 176.600 0.011 0.000 1.016 528 E CA 0.671 57.079 56.400 0.013 0.000 0.921 528 E CB 0.415 30.123 29.700 0.014 0.000 1.034 528 E HN 0.541 nan 8.360 nan 0.000 0.468 529 Q N 0.965 120.767 119.800 0.002 0.000 2.046 529 Q HA -0.039 4.303 4.340 0.005 0.000 0.200 529 Q C 2.031 178.042 176.000 0.018 0.000 0.975 529 Q CA 1.552 57.346 55.803 -0.014 0.000 0.836 529 Q CB -0.246 28.459 28.738 -0.056 0.000 0.896 529 Q HN 0.279 nan 8.270 nan 0.000 0.428 530 R N 0.833 121.348 120.500 0.025 0.000 2.119 530 R HA -0.203 4.140 4.340 0.005 0.000 0.246 530 R C 1.770 178.112 176.300 0.072 0.000 1.146 530 R CA 1.416 57.555 56.100 0.065 0.000 0.962 530 R CB 0.036 30.338 30.300 0.004 0.000 0.863 530 R HN 0.107 nan 8.270 nan 0.000 0.442 531 K N -0.569 119.841 120.400 0.016 0.000 2.057 531 K HA -0.097 4.226 4.320 0.005 0.000 0.207 531 K C 2.047 178.634 176.600 -0.021 0.000 1.049 531 K CA 1.992 58.268 56.287 -0.018 0.000 0.931 531 K CB -0.299 32.190 32.500 -0.019 0.000 0.714 531 K HN 0.301 nan 8.250 nan 0.000 0.440 532 T N 1.464 116.030 114.554 0.021 0.000 2.708 532 T HA -0.158 4.195 4.350 0.005 0.000 0.266 532 T C 1.573 176.299 174.700 0.044 0.000 1.037 532 T CA 1.243 63.366 62.100 0.038 0.000 1.146 532 T CB -0.466 68.438 68.868 0.061 0.000 0.865 532 T HN 0.195 nan 8.240 nan 0.000 0.435 533 F N 2.492 122.393 119.950 -0.081 0.000 2.154 533 F HA -0.173 4.357 4.527 0.005 0.000 0.301 533 F C 2.074 177.823 175.800 -0.085 0.000 1.087 533 F CA 0.759 58.709 58.000 -0.083 0.000 1.274 533 F CB -0.725 38.238 39.000 -0.061 0.000 1.009 533 F HN -0.038 nan 8.300 nan 0.000 0.485 534 V N 0.376 120.127 119.914 -0.273 0.000 2.270 534 V HA -0.225 3.898 4.120 0.005 0.000 0.245 534 V C 2.473 178.377 176.094 -0.318 0.000 1.043 534 V CA 2.037 64.112 62.300 -0.376 0.000 1.014 534 V CB -0.873 30.814 31.823 -0.227 0.000 0.645 534 V HN 0.243 nan 8.190 nan 0.000 0.447 535 E N 0.349 120.392 120.200 -0.261 0.000 2.065 535 E HA -0.244 4.109 4.350 0.005 0.000 0.201 535 E C 2.280 178.692 176.600 -0.315 0.000 1.016 535 E CA 1.702 57.880 56.400 -0.370 0.000 0.818 535 E CB -0.419 28.983 29.700 -0.496 0.000 0.749 535 E HN 0.512 nan 8.360 nan 0.000 0.453 536 L N -0.014 121.135 121.223 -0.123 0.000 2.043 536 L HA -0.240 4.103 4.340 0.005 0.000 0.212 536 L C 2.705 179.521 176.870 -0.090 0.000 1.075 536 L CA 1.244 56.109 54.840 0.041 0.000 0.752 536 L CB -0.323 41.774 42.059 0.064 0.000 0.891 536 L HN 0.213 nan 8.230 nan 0.000 0.432 537 M N -1.615 117.854 119.600 -0.218 0.000 2.236 537 M HA -0.156 4.327 4.480 0.005 0.000 0.266 537 M C 2.413 178.608 176.300 -0.175 0.000 1.070 537 M CA 1.439 56.601 55.300 -0.230 0.000 1.137 537 M CB -0.174 32.200 32.600 -0.377 0.000 1.378 537 M HN 0.107 nan 8.290 nan 0.000 0.426 538 R N -0.314 120.071 120.500 -0.191 0.000 2.075 538 R HA 0.012 4.355 4.340 0.005 0.000 0.220 538 R C 2.343 178.584 176.300 -0.098 0.000 1.118 538 R CA 1.060 57.069 56.100 -0.151 0.000 0.986 538 R CB 0.211 30.405 30.300 -0.177 0.000 0.884 538 R HN 0.175 nan 8.270 nan 0.000 0.439 539 R N -1.258 119.176 120.500 -0.111 0.000 2.121 539 R HA 0.075 4.418 4.340 0.005 0.000 0.206 539 R C 1.958 178.346 176.300 0.146 0.000 1.094 539 R CA 0.924 57.013 56.100 -0.018 0.000 1.055 539 R CB -0.018 30.208 30.300 -0.123 0.000 0.964 539 R HN 0.309 nan 8.270 nan 0.000 0.473 540 G N 0.092 109.038 108.800 0.244 0.000 2.534 540 G HA2 -0.196 3.767 3.960 0.005 0.000 0.217 540 G HA3 -0.196 3.767 3.960 0.005 0.000 0.217 540 G C -0.099 174.782 174.900 -0.033 0.000 1.128 540 G CA 0.681 45.942 45.100 0.268 0.000 0.784 540 G HN 0.565 nan 8.290 nan 0.000 0.542 541 D N -1.054 119.330 120.400 -0.027 0.000 2.760 541 D HA -0.143 4.500 4.640 0.005 0.000 0.244 541 D C 0.004 176.268 176.300 -0.059 0.000 1.123 541 D CA 0.338 54.316 54.000 -0.036 0.000 0.719 541 D CB -1.383 39.426 40.800 0.015 0.000 1.045 541 D HN 0.294 nan 8.370 nan 0.000 0.426 542 L N -0.176 120.992 121.223 -0.091 0.000 2.330 542 L HA 0.688 5.031 4.340 0.005 0.000 0.271 542 L C -1.661 175.193 176.870 -0.026 0.000 1.013 542 L CA -2.231 52.579 54.840 -0.051 0.000 0.816 542 L CB 1.293 43.316 42.059 -0.060 0.000 1.287 542 L HN -0.085 nan 8.230 nan 0.000 0.435 543 P HA 0.005 nan 4.420 nan 0.000 0.269 543 P C 0.811 178.152 177.300 0.069 0.000 1.217 543 P CA -0.347 62.780 63.100 0.046 0.000 0.783 543 P CB 0.674 32.434 31.700 0.101 0.000 0.898 544 V N 0.073 120.032 119.914 0.075 0.000 2.307 544 V HA -0.210 3.913 4.120 0.005 0.000 0.245 544 V C 1.937 178.182 176.094 0.251 0.000 1.045 544 V CA 1.729 64.107 62.300 0.130 0.000 1.024 544 V CB -1.473 30.397 31.823 0.078 0.000 0.651 544 V HN 0.693 nan 8.190 nan 0.000 0.449 545 W N 0.721 122.050 121.300 0.048 0.000 2.335 545 W HA -0.254 4.408 4.660 0.004 0.000 0.311 545 W C 2.243 178.798 176.519 0.060 0.000 1.213 545 W CA 2.150 59.523 57.345 0.048 0.000 1.274 545 W CB -0.434 29.039 29.460 0.022 0.000 1.148 545 W HN 0.223 nan 8.180 nan 0.000 0.498 546 L N 1.555 122.896 121.223 0.197 0.000 1.970 546 L HA -0.241 4.102 4.340 0.005 0.000 0.212 546 L C 2.743 179.458 176.870 -0.258 0.000 1.071 546 L CA 3.271 58.074 54.840 -0.060 0.000 0.751 546 L CB -1.539 40.650 42.059 0.216 0.000 0.889 546 L HN 0.146 nan 8.230 nan 0.000 0.432 547 S N -1.597 114.073 115.700 -0.049 0.000 2.400 547 S HA -0.312 4.161 4.470 0.005 0.000 0.232 547 S C 2.028 176.655 174.600 0.046 0.000 1.025 547 S CA 1.459 59.647 58.200 -0.020 0.000 0.993 547 S CB -1.404 61.802 63.200 0.011 0.000 0.808 547 S HN 0.632 nan 8.310 nan 0.000 0.478 548 Y N 3.024 123.294 120.300 -0.049 0.000 2.114 548 Y HA -0.065 4.488 4.550 0.005 0.000 0.284 548 Y C 2.156 177.707 175.900 -0.581 0.000 1.143 548 Y CA 1.731 59.641 58.100 -0.316 0.000 1.135 548 Y CB -0.289 37.913 38.460 -0.430 0.000 0.980 548 Y HN -0.003 nan 8.280 nan 0.000 0.499 549 K N -0.149 119.682 120.400 -0.948 0.000 2.147 549 K HA -0.074 4.249 4.320 0.005 0.000 0.205 549 K C 2.165 177.806 176.600 -1.597 0.000 1.049 549 K CA 1.290 56.708 56.287 -1.447 0.000 0.936 549 K CB -0.909 30.351 32.500 -2.068 0.000 0.722 549 K HN 0.343 nan 8.250 nan 0.000 0.446 550 V N 1.130 120.290 119.914 -1.256 0.000 2.346 550 V HA -0.136 3.987 4.120 0.005 0.000 0.244 550 V C 2.406 178.143 176.094 -0.595 0.000 1.037 550 V CA 1.752 63.431 62.300 -1.036 0.000 1.029 550 V CB -0.727 30.513 31.823 -0.972 0.000 0.663 550 V HN 0.239 nan 8.190 nan 0.000 0.454 551 A N 0.970 123.527 122.820 -0.439 0.000 1.873 551 A HA -0.175 4.148 4.320 0.005 0.000 0.215 551 A C 2.393 179.790 177.584 -0.311 0.000 1.186 551 A CA 2.047 53.933 52.037 -0.251 0.000 0.616 551 A CB -0.807 18.143 19.000 -0.084 0.000 0.823 551 A HN 0.671 nan 8.150 nan 0.000 0.442 552 S N -0.465 114.926 115.700 -0.515 0.000 2.603 552 S HA 0.328 4.800 4.470 0.005 0.000 0.229 552 S C 1.354 175.754 174.600 -0.334 0.000 0.972 552 S CA 0.754 58.660 58.200 -0.488 0.000 0.935 552 S CB -0.220 62.490 63.200 -0.816 0.000 0.769 552 S HN 0.814 nan 8.310 nan 0.000 0.536 553 A N 0.624 123.266 122.820 -0.298 0.000 2.308 553 A HA 0.625 4.947 4.320 0.005 0.000 0.217 553 A C 1.698 179.245 177.584 -0.061 0.000 1.216 553 A CA 0.269 52.236 52.037 -0.115 0.000 0.864 553 A CB -0.847 18.152 19.000 -0.001 0.000 0.902 553 A HN 1.431 nan 8.150 nan 0.000 0.499 554 G N -0.432 108.311 108.800 -0.094 0.000 2.143 554 G HA2 -0.231 3.731 3.960 0.005 0.000 0.248 554 G HA3 -0.231 3.731 3.960 0.005 0.000 0.248 554 G C 0.095 174.987 174.900 -0.013 0.000 0.991 554 G CA 0.304 45.377 45.100 -0.043 0.000 0.689 554 G HN 0.483 nan 8.290 nan 0.000 0.522 555 I N 1.718 122.270 120.570 -0.031 0.000 2.471 555 I HA 0.306 4.479 4.170 0.005 0.000 0.286 555 I C 1.276 177.420 176.117 0.045 0.000 1.079 555 I CA -0.022 61.286 61.300 0.013 0.000 1.398 555 I CB 1.342 39.323 38.000 -0.032 0.000 1.403 555 I HN 0.197 nan 8.210 nan 0.000 0.530 556 S N 4.682 120.433 115.700 0.085 0.000 2.584 556 S HA -0.039 4.434 4.470 0.005 0.000 0.270 556 S C 1.003 175.712 174.600 0.182 0.000 1.346 556 S CA -0.065 58.206 58.200 0.118 0.000 1.018 556 S CB 0.426 63.685 63.200 0.099 0.000 0.899 556 S HN 0.536 nan 8.310 nan 0.000 0.542 557 Y N 3.440 123.797 120.300 0.095 0.000 2.224 557 Y HA -0.057 4.496 4.550 0.005 0.000 0.289 557 Y C 1.925 177.920 175.900 0.159 0.000 1.146 557 Y CA 2.007 60.195 58.100 0.146 0.000 1.182 557 Y CB -0.260 38.267 38.460 0.112 0.000 0.983 557 Y HN 0.690 nan 8.280 nan 0.000 0.524 558 K N 0.637 121.028 120.400 -0.016 0.000 2.103 558 K HA -0.113 4.210 4.320 0.005 0.000 0.204 558 K C 0.539 177.077 176.600 -0.103 0.000 1.052 558 K CA 0.946 57.155 56.287 -0.130 0.000 0.945 558 K CB -0.324 32.164 32.500 -0.021 0.000 0.722 558 K HN 0.233 nan 8.250 nan 0.000 0.443 559 D N 0.596 121.010 120.400 0.023 0.000 2.434 559 D HA -0.043 4.600 4.640 0.005 0.000 0.252 559 D C 0.281 176.685 176.300 0.174 0.000 1.185 559 D CA 0.331 54.387 54.000 0.093 0.000 0.886 559 D CB 0.627 41.519 40.800 0.153 0.000 1.148 559 D HN 0.001 nan 8.370 nan 0.000 0.483 560 R N 2.350 122.873 120.500 0.038 0.000 2.487 560 R HA 0.005 4.348 4.340 0.005 0.000 0.272 560 R C 1.154 177.335 176.300 -0.197 0.000 0.928 560 R CA 0.008 55.990 56.100 -0.197 0.000 1.077 560 R CB 0.110 30.169 30.300 -0.403 0.000 1.265 560 R HN 0.617 nan 8.270 nan 0.000 0.537 561 E N 1.281 121.538 120.200 0.095 0.000 2.533 561 E HA -0.119 4.234 4.350 0.005 0.000 0.201 561 E C 0.917 177.658 176.600 0.235 0.000 1.097 561 E CA 0.412 56.940 56.400 0.214 0.000 0.887 561 E CB -0.236 29.552 29.700 0.147 0.000 0.855 561 E HN 0.467 nan 8.360 nan 0.000 0.540 562 W N -0.250 121.127 121.300 0.129 0.000 2.863 562 W HA 0.123 4.785 4.660 0.004 0.000 0.258 562 W C 0.751 177.284 176.519 0.022 0.000 1.298 562 W CA -0.288 57.118 57.345 0.102 0.000 1.451 562 W CB -0.912 28.665 29.460 0.195 0.000 1.107 562 W HN -0.014 nan 8.180 nan 0.000 0.641 563 C N 1.080 119.839 119.300 -0.902 0.000 2.546 563 C HA 0.054 4.517 4.460 0.005 0.000 0.275 563 C C 1.085 175.444 174.990 -1.052 0.000 1.393 563 C CA 0.359 58.699 59.018 -1.130 0.000 1.703 563 C CB -2.511 24.272 27.740 -1.595 0.000 1.710 563 C HN 0.205 nan 8.230 nan 0.000 0.581 564 F N -0.659 119.232 119.950 -0.099 0.000 2.838 564 F HA 0.160 4.690 4.527 0.005 0.000 0.329 564 F C 0.721 176.512 175.800 -0.016 0.000 1.116 564 F CA -0.129 57.839 58.000 -0.054 0.000 1.155 564 F CB -0.251 38.704 39.000 -0.074 0.000 1.106 564 F HN -0.070 nan 8.300 nan 0.000 0.538 565 T N 0.360 114.978 114.554 0.107 0.000 3.154 565 T HA 0.713 5.066 4.350 0.005 0.000 0.381 565 T C 0.309 175.016 174.700 0.012 0.000 1.368 565 T CA -0.561 61.579 62.100 0.066 0.000 1.155 565 T CB 0.842 69.747 68.868 0.062 0.000 1.120 565 T HN 0.274 nan 8.240 nan 0.000 0.570 566 G N 1.534 110.343 108.800 0.016 0.000 2.725 566 G HA2 0.657 4.620 3.960 0.005 0.000 0.288 566 G HA3 0.657 4.620 3.960 0.005 0.000 0.288 566 G C -1.083 173.819 174.900 0.003 0.000 1.399 566 G CA -1.029 44.069 45.100 -0.003 0.000 0.859 566 G HN 0.483 nan 8.290 nan 0.000 0.479 567 E N 0.015 120.215 120.200 0.001 0.000 2.391 567 E HA 0.226 4.579 4.350 0.005 0.000 0.255 567 E C 1.255 177.861 176.600 0.009 0.000 1.187 567 E CA -0.828 55.576 56.400 0.006 0.000 0.941 567 E CB 1.086 30.791 29.700 0.008 0.000 1.010 567 E HN 0.320 nan 8.360 nan 0.000 0.458 568 R N 1.338 121.843 120.500 0.008 0.000 2.140 568 R HA -0.246 4.096 4.340 0.005 0.000 0.250 568 R C 1.286 177.589 176.300 0.004 0.000 1.150 568 R CA 1.982 58.086 56.100 0.007 0.000 0.966 568 R CB -0.790 29.514 30.300 0.007 0.000 0.869 568 R HN 0.554 nan 8.270 nan 0.000 0.445 569 N N 0.809 119.514 118.700 0.008 0.000 2.149 569 N HA -0.149 4.594 4.740 0.005 0.000 0.188 569 N C 1.210 176.722 175.510 0.003 0.000 1.019 569 N CA 1.317 54.373 53.050 0.010 0.000 0.857 569 N CB -0.654 37.846 38.487 0.022 0.000 0.997 569 N HN 0.243 nan 8.380 nan 0.000 0.426 570 N N 0.601 119.305 118.700 0.007 0.000 2.521 570 N HA -0.060 4.683 4.740 0.005 0.000 0.188 570 N C -0.017 175.474 175.510 -0.032 0.000 1.146 570 N CA 0.072 53.125 53.050 0.005 0.000 0.893 570 N CB -0.138 38.367 38.487 0.031 0.000 0.975 570 N HN 0.329 nan 8.380 nan 0.000 0.451 571 Q N 1.499 121.278 119.800 -0.035 0.000 2.244 571 Q HA 0.026 4.369 4.340 0.005 0.000 0.278 571 Q C -0.317 175.610 176.000 -0.121 0.000 1.093 571 Q CA 0.168 55.942 55.803 -0.049 0.000 0.916 571 Q CB 0.107 28.831 28.738 -0.023 0.000 1.159 571 Q HN 0.111 nan 8.270 nan 0.000 0.384 572 I N 5.765 126.243 120.570 -0.154 0.000 2.588 572 I HA 0.080 4.252 4.170 0.005 0.000 0.283 572 I C 0.186 176.206 176.117 -0.162 0.000 1.119 572 I CA 0.015 61.143 61.300 -0.286 0.000 1.419 572 I CB -0.091 37.781 38.000 -0.214 0.000 1.394 572 I HN 0.679 nan 8.210 nan 0.000 0.562 573 L N 5.604 126.720 121.223 -0.179 0.000 2.334 573 L HA 0.546 4.889 4.340 0.005 0.000 0.273 573 L C 0.089 176.959 176.870 -0.000 0.000 1.013 573 L CA -0.585 54.220 54.840 -0.057 0.000 0.816 573 L CB 2.029 44.067 42.059 -0.034 0.000 1.278 573 L HN 0.586 nan 8.230 nan 0.000 0.431 574 E N 3.042 123.257 120.200 0.024 0.000 2.260 574 E HA 0.140 4.493 4.350 0.005 0.000 0.266 574 E C -0.984 175.638 176.600 0.037 0.000 0.887 574 E CA -0.424 56.005 56.400 0.049 0.000 0.777 574 E CB 1.289 31.025 29.700 0.059 0.000 1.205 574 E HN 0.609 nan 8.360 nan 0.000 0.414 575 E N 3.334 123.557 120.200 0.038 0.000 2.228 575 E HA -0.276 4.077 4.350 0.005 0.000 0.213 575 E C -0.395 176.217 176.600 0.019 0.000 1.282 575 E CA 1.278 57.694 56.400 0.026 0.000 0.707 575 E CB -2.040 27.673 29.700 0.022 0.000 1.150 575 E HN 0.946 nan 8.360 nan 0.000 0.362 576 N N -2.031 116.681 118.700 0.020 0.000 2.753 576 N HA -0.275 4.467 4.740 0.005 0.000 0.251 576 N C 0.336 175.851 175.510 0.008 0.000 1.097 576 N CA 1.409 54.467 53.050 0.013 0.000 0.786 576 N CB -0.970 37.523 38.487 0.010 0.000 1.137 576 N HN 0.590 nan 8.380 nan 0.000 0.566 577 M N -1.523 118.082 119.600 0.009 0.000 2.591 577 M HA 0.510 4.993 4.480 0.005 0.000 0.306 577 M C -0.701 175.601 176.300 0.004 0.000 1.190 577 M CA -0.934 54.370 55.300 0.006 0.000 0.889 577 M CB 1.860 34.464 32.600 0.006 0.000 1.728 577 M HN -0.168 nan 8.290 nan 0.000 0.458 578 E N 1.972 122.173 120.200 0.002 0.000 2.415 578 E HA 0.202 4.555 4.350 0.005 0.000 0.263 578 E C -0.682 175.926 176.600 0.013 0.000 0.995 578 E CA -0.136 56.265 56.400 0.002 0.000 0.915 578 E CB 1.089 30.791 29.700 0.003 0.000 0.951 578 E HN 0.535 nan 8.360 nan 0.000 0.449 579 V N 3.897 123.823 119.914 0.019 0.000 2.406 579 V HA 0.122 4.244 4.120 0.005 0.000 0.272 579 V C 0.378 176.507 176.094 0.059 0.000 1.043 579 V CA -0.161 62.163 62.300 0.041 0.000 0.915 579 V CB 0.494 32.349 31.823 0.053 0.000 0.988 579 V HN 0.539 nan 8.190 nan 0.000 0.466 580 E N 4.253 124.487 120.200 0.057 0.000 2.224 580 E HA 0.576 4.929 4.350 0.005 0.000 0.265 580 E C -1.152 175.495 176.600 0.078 0.000 0.878 580 E CA -0.758 55.682 56.400 0.066 0.000 0.759 580 E CB 2.976 32.691 29.700 0.026 0.000 1.164 580 E HN 0.485 nan 8.360 nan 0.000 0.414 581 I N 1.592 122.235 120.570 0.122 0.000 2.797 581 I HA 0.355 4.528 4.170 0.005 0.000 0.307 581 I C -1.363 174.857 176.117 0.171 0.000 1.033 581 I CA -0.720 60.668 61.300 0.147 0.000 1.071 581 I CB 1.286 39.389 38.000 0.172 0.000 1.255 581 I HN 0.510 nan 8.210 nan 0.000 0.445 582 W N 6.705 127.985 121.300 -0.033 0.000 2.283 582 W HA 0.408 5.071 4.660 0.005 0.000 0.317 582 W C 0.219 176.691 176.519 -0.078 0.000 1.042 582 W CA -1.050 56.257 57.345 -0.063 0.000 1.348 582 W CB 0.324 29.757 29.460 -0.046 0.000 1.216 582 W HN 0.673 nan 8.180 nan 0.000 0.404 583 T N 1.464 116.037 114.554 0.032 0.000 2.701 583 T HA 0.087 4.439 4.350 0.005 0.000 0.303 583 T C 1.475 176.018 174.700 -0.262 0.000 1.030 583 T CA -0.041 61.979 62.100 -0.134 0.000 1.010 583 T CB 1.008 69.766 68.868 -0.183 0.000 1.007 583 T HN 0.618 nan 8.240 nan 0.000 0.532 584 R N 0.775 121.139 120.500 -0.226 0.000 2.070 584 R HA -0.143 4.200 4.340 0.005 0.000 0.233 584 R C 2.243 178.406 176.300 -0.230 0.000 1.137 584 R CA 2.069 58.025 56.100 -0.240 0.000 0.945 584 R CB -0.568 29.623 30.300 -0.180 0.000 0.845 584 R HN 0.907 nan 8.270 nan 0.000 0.430 585 E N -0.331 119.769 120.200 -0.167 0.000 2.472 585 E HA 0.065 4.418 4.350 0.005 0.000 0.200 585 E C 0.457 176.995 176.600 -0.104 0.000 1.046 585 E CA 0.729 57.055 56.400 -0.123 0.000 0.871 585 E CB -0.052 29.593 29.700 -0.092 0.000 0.806 585 E HN 0.510 nan 8.360 nan 0.000 0.533 586 G N 0.197 108.913 108.800 -0.141 0.000 2.846 586 G HA2 -0.213 3.750 3.960 0.005 0.000 0.254 586 G HA3 -0.213 3.750 3.960 0.005 0.000 0.254 586 G C -0.734 174.276 174.900 0.184 0.000 1.017 586 G CA 0.076 45.171 45.100 -0.008 0.000 1.188 586 G HN 0.342 nan 8.290 nan 0.000 0.518 587 E N 0.140 120.473 120.200 0.222 0.000 2.363 587 E HA 0.491 4.844 4.350 0.005 0.000 0.281 587 E C -0.464 176.177 176.600 0.069 0.000 0.953 587 E CA -1.098 55.358 56.400 0.093 0.000 0.778 587 E CB 1.131 30.796 29.700 -0.058 0.000 1.220 587 E HN 0.240 nan 8.360 nan 0.000 0.431 588 K N 3.174 123.566 120.400 -0.013 0.000 2.310 588 K HA 0.332 4.655 4.320 0.005 0.000 0.290 588 K C -0.868 175.678 176.600 -0.089 0.000 1.077 588 K CA -0.032 56.225 56.287 -0.050 0.000 0.922 588 K CB 0.829 33.274 32.500 -0.092 0.000 1.057 588 K HN 0.193 nan 8.250 nan 0.000 0.479 589 K N 2.616 122.950 120.400 -0.110 0.000 2.427 589 K HA 0.298 4.621 4.320 0.005 0.000 0.252 589 K C -0.854 175.796 176.600 0.083 0.000 0.931 589 K CA -0.995 55.206 56.287 -0.145 0.000 0.793 589 K CB 2.279 34.415 32.500 -0.607 0.000 1.211 589 K HN 0.277 nan 8.250 nan 0.000 0.426 590 K N 2.047 122.519 120.400 0.119 0.000 2.383 590 K HA 0.064 4.386 4.320 0.005 0.000 0.286 590 K C -0.085 176.662 176.600 0.245 0.000 1.051 590 K CA -0.557 55.817 56.287 0.146 0.000 0.974 590 K CB 0.276 32.823 32.500 0.079 0.000 0.968 590 K HN 0.281 nan 8.250 nan 0.000 0.475 591 L N 4.482 125.809 121.223 0.174 0.000 2.678 591 L HA -0.035 4.308 4.340 0.005 0.000 0.276 591 L C -0.047 176.820 176.870 -0.004 0.000 1.142 591 L CA 1.189 56.061 54.840 0.054 0.000 0.961 591 L CB -0.491 41.599 42.059 0.052 0.000 1.291 591 L HN 0.515 nan 8.230 nan 0.000 0.476 592 R N 5.735 126.201 120.500 -0.056 0.000 2.734 592 R HA 0.403 4.745 4.340 0.005 0.000 0.268 592 R C -2.611 173.668 176.300 -0.035 0.000 1.785 592 R CA -1.660 54.429 56.100 -0.017 0.000 1.461 592 R CB 0.977 31.300 30.300 0.037 0.000 1.308 592 R HN 0.358 nan 8.270 nan 0.000 0.586 593 P HA -0.007 nan 4.420 nan 0.000 0.270 593 P C 0.039 177.435 177.300 0.161 0.000 1.223 593 P CA -0.180 63.004 63.100 0.140 0.000 0.785 593 P CB 0.946 32.838 31.700 0.320 0.000 0.923 594 K N 1.497 122.025 120.400 0.214 0.000 1.984 594 K HA -0.040 4.282 4.320 0.005 0.000 0.209 594 K C 0.053 176.526 176.600 -0.211 0.000 1.046 594 K CA 1.165 57.347 56.287 -0.174 0.000 0.934 594 K CB 0.022 32.149 32.500 -0.622 0.000 0.717 594 K HN 0.477 nan 8.250 nan 0.000 0.438 595 W N 1.661 123.139 121.300 0.296 0.000 2.390 595 W HA 0.260 4.923 4.660 0.005 0.000 0.312 595 W C -0.546 176.218 176.519 0.408 0.000 1.123 595 W CA -1.050 56.492 57.345 0.329 0.000 1.202 595 W CB 0.668 30.238 29.460 0.184 0.000 1.251 595 W HN 0.009 nan 8.180 nan 0.000 0.511 596 L N 4.128 125.699 121.223 0.581 0.000 2.265 596 L HA 0.286 4.629 4.340 0.005 0.000 0.289 596 L C -0.492 176.621 176.870 0.405 0.000 1.033 596 L CA 0.210 55.298 54.840 0.414 0.000 0.814 596 L CB 0.575 42.790 42.059 0.260 0.000 1.203 596 L HN 0.228 nan 8.230 nan 0.000 0.423 597 D N 3.657 124.285 120.400 0.379 0.000 2.440 597 D HA 0.409 5.051 4.640 0.005 0.000 0.239 597 D C 0.728 177.063 176.300 0.057 0.000 1.084 597 D CA 0.097 54.222 54.000 0.209 0.000 0.843 597 D CB 2.146 43.140 40.800 0.323 0.000 1.097 597 D HN 0.649 nan 8.370 nan 0.000 0.531 598 A N 4.651 127.392 122.820 -0.131 0.000 1.917 598 A HA -0.212 4.110 4.320 0.005 0.000 0.219 598 A C 1.984 179.134 177.584 -0.723 0.000 1.182 598 A CA 1.271 52.941 52.037 -0.612 0.000 0.633 598 A CB -0.244 18.512 19.000 -0.406 0.000 0.819 598 A HN 0.667 nan 8.150 nan 0.000 0.448 599 R N -0.451 119.849 120.500 -0.333 0.000 2.211 599 R HA -0.126 4.217 4.340 0.005 0.000 0.240 599 R C 1.920 178.105 176.300 -0.193 0.000 1.144 599 R CA 1.427 57.392 56.100 -0.226 0.000 0.992 599 R CB -0.631 29.605 30.300 -0.106 0.000 0.869 599 R HN 0.642 nan 8.270 nan 0.000 0.462 600 V N -1.242 118.553 119.914 -0.198 0.000 3.217 600 V HA -0.097 4.026 4.120 0.005 0.000 0.264 600 V C 0.937 177.021 176.094 -0.016 0.000 1.135 600 V CA 1.030 63.231 62.300 -0.165 0.000 1.142 600 V CB -0.554 30.966 31.823 -0.504 0.000 0.754 600 V HN 0.448 nan 8.190 nan 0.000 0.484 601 Y N -2.065 118.184 120.300 -0.086 0.000 2.717 601 Y HA 0.839 5.392 4.550 0.005 0.000 0.250 601 Y C 1.840 177.735 175.900 -0.008 0.000 1.149 601 Y CA -0.241 57.844 58.100 -0.025 0.000 1.211 601 Y CB -0.479 37.968 38.460 -0.020 0.000 1.289 601 Y HN 0.056 nan 8.280 nan 0.000 0.552 602 A N 0.927 123.598 122.820 -0.247 0.000 2.019 602 A HA 0.026 4.348 4.320 0.005 0.000 0.219 602 A C 0.294 177.849 177.584 -0.049 0.000 1.164 602 A CA 1.673 53.595 52.037 -0.192 0.000 0.644 602 A CB -0.769 18.111 19.000 -0.200 0.000 0.805 602 A HN 0.728 nan 8.150 nan 0.000 0.449 603 D N -5.266 115.132 120.400 -0.003 0.000 2.602 603 D HA 0.471 5.113 4.640 0.005 0.000 0.236 603 D C -2.552 173.781 176.300 0.056 0.000 1.209 603 D CA -1.731 52.284 54.000 0.025 0.000 0.831 603 D CB 0.858 41.667 40.800 0.015 0.000 1.478 603 D HN -0.220 nan 8.370 nan 0.000 0.438 604 P HA -0.204 nan 4.420 nan 0.000 0.215 604 P C 1.430 178.777 177.300 0.078 0.000 1.163 604 P CA 1.609 64.751 63.100 0.069 0.000 0.894 604 P CB 0.041 31.772 31.700 0.051 0.000 0.791 605 M N -1.240 118.400 119.600 0.066 0.000 2.108 605 M HA -0.168 4.315 4.480 0.005 0.000 0.261 605 M C 2.187 178.541 176.300 0.089 0.000 1.066 605 M CA 2.051 57.394 55.300 0.072 0.000 1.107 605 M CB -0.965 31.671 32.600 0.059 0.000 1.356 605 M HN -0.100 nan 8.290 nan 0.000 0.406 606 A N 0.706 123.575 122.820 0.082 0.000 1.865 606 A HA -0.184 4.139 4.320 0.005 0.000 0.217 606 A C 2.195 179.872 177.584 0.155 0.000 1.191 606 A CA 1.570 53.663 52.037 0.093 0.000 0.623 606 A CB -1.081 17.949 19.000 0.050 0.000 0.826 606 A HN 0.528 nan 8.150 nan 0.000 0.444 607 L N -0.181 121.139 121.223 0.162 0.000 2.017 607 L HA -0.199 4.144 4.340 0.005 0.000 0.208 607 L C 2.367 179.376 176.870 0.232 0.000 1.073 607 L CA 2.788 57.767 54.840 0.231 0.000 0.745 607 L CB -0.846 41.335 42.059 0.203 0.000 0.894 607 L HN 0.564 nan 8.230 nan 0.000 0.432 608 K N -0.184 120.312 120.400 0.160 0.000 2.059 608 K HA -0.313 4.010 4.320 0.005 0.000 0.212 608 K C 1.804 178.492 176.600 0.146 0.000 1.050 608 K CA 2.431 58.797 56.287 0.132 0.000 0.927 608 K CB -0.245 32.315 32.500 0.099 0.000 0.714 608 K HN 0.394 nan 8.250 nan 0.000 0.447 609 D N -0.447 120.050 120.400 0.162 0.000 2.144 609 D HA -0.152 4.491 4.640 0.005 0.000 0.200 609 D C 1.737 178.178 176.300 0.235 0.000 0.978 609 D CA 0.725 54.826 54.000 0.168 0.000 0.833 609 D CB -0.148 40.740 40.800 0.146 0.000 0.961 609 D HN 0.250 nan 8.370 nan 0.000 0.470 610 F N 1.171 121.196 119.950 0.125 0.000 2.206 610 F HA 0.035 4.565 4.527 0.004 0.000 0.298 610 F C 2.027 177.940 175.800 0.188 0.000 1.090 610 F CA 1.111 59.213 58.000 0.169 0.000 1.323 610 F CB -0.045 39.044 39.000 0.147 0.000 1.028 610 F HN -0.170 nan 8.300 nan 0.000 0.492 611 K N 0.207 120.677 120.400 0.117 0.000 2.009 611 K HA -0.198 4.125 4.320 0.005 0.000 0.210 611 K C 2.003 178.577 176.600 -0.043 0.000 1.049 611 K CA 1.861 58.148 56.287 0.000 0.000 0.929 611 K CB -0.297 32.253 32.500 0.084 0.000 0.714 611 K HN 0.176 nan 8.250 nan 0.000 0.440 612 E N 0.287 120.507 120.200 0.034 0.000 2.130 612 E HA -0.223 4.130 4.350 0.005 0.000 0.196 612 E C 1.895 178.497 176.600 0.004 0.000 0.998 612 E CA 1.116 57.533 56.400 0.029 0.000 0.806 612 E CB -0.341 29.400 29.700 0.069 0.000 0.738 612 E HN 0.305 nan 8.360 nan 0.000 0.459 613 F N 1.646 121.513 119.950 -0.138 0.000 2.075 613 F HA -0.134 4.396 4.527 0.005 0.000 0.297 613 F C 2.307 177.933 175.800 -0.291 0.000 1.113 613 F CA 1.668 59.560 58.000 -0.180 0.000 1.218 613 F CB -0.447 38.465 39.000 -0.146 0.000 0.984 613 F HN -0.021 nan 8.300 nan 0.000 0.472 614 A N -0.442 122.027 122.820 -0.585 0.000 1.972 614 A HA -0.133 4.190 4.320 0.005 0.000 0.219 614 A C 2.266 179.638 177.584 -0.353 0.000 1.169 614 A CA 1.864 53.479 52.037 -0.703 0.000 0.635 614 A CB -1.167 17.401 19.000 -0.719 0.000 0.810 614 A HN 0.470 nan 8.150 nan 0.000 0.446 615 S N -1.737 113.827 115.700 -0.226 0.000 2.428 615 S HA 0.274 4.746 4.470 0.005 0.000 0.230 615 S C 1.539 176.017 174.600 -0.203 0.000 1.014 615 S CA 1.122 59.238 58.200 -0.140 0.000 0.957 615 S CB -0.055 63.090 63.200 -0.091 0.000 0.784 615 S HN 1.665 nan 8.310 nan 0.000 0.499 616 G N 1.280 109.917 108.800 -0.272 0.000 2.168 616 G HA2 -0.196 3.767 3.960 0.005 0.000 0.197 616 G HA3 -0.196 3.767 3.960 0.005 0.000 0.197 616 G C 0.225 175.021 174.900 -0.172 0.000 0.997 616 G CA -0.468 44.473 45.100 -0.265 0.000 0.658 616 G HN 0.451 nan 8.290 nan 0.000 0.513 617 R N 0.395 120.819 120.500 -0.126 0.000 4.031 617 R HA 0.537 4.880 4.340 0.005 0.000 0.269 617 R C 0.466 176.767 176.300 0.001 0.000 1.668 617 R CA 0.348 56.411 56.100 -0.061 0.000 1.432 617 R CB 0.282 30.552 30.300 -0.051 0.000 1.374 617 R HN 0.367 nan 8.270 nan 0.000 0.681 618 K N 0.000 120.412 120.400 0.019 0.000 2.780 618 K HA 0.000 4.323 4.320 0.005 0.000 0.191 618 K CA 0.000 56.366 56.287 0.132 0.000 0.838 618 K CB 0.000 32.642 32.500 0.236 0.000 1.064 618 K HN 0.000 nan 8.250 nan 0.000 0.543