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 1upa_1_A DATA FIRST_RESID 12 DATA SEQUENCE PTAAHALLSR LRDHGVGKVF GVVGREAASI LFDEVEGIDF VLTRHEFTAG DATA SEQUENCE VAADVLARIT GRPQACWATL GPGXTNLSTG IATSVLDRSP VIALAAQSES DATA SEQUENCE HDIFPNDTHQ CLDSVAIVAP XSKYAVELQR PHEITDLVDS AVNAAXTEPV DATA SEQUENCE GPSFISLPVD LLGSSEGIDT XXXNPPANTP AKPVGVVADG WQKAADQAAA DATA SEQUENCE LLAEAKHPVL VVGAAAIRSG AVPAIRALAE RLNIPVITTY IAKGVLPVGH DATA SEQUENCE ELNYGAVTGY XDGILNFPAL QTXFAPVDLV LTVGYDYAED LRPSXWQKGI DATA SEQUENCE EKKTVRISPT VNPIPRVYRP DVDVVTDVLA FVEHFETATA SFGAKQRHDI DATA SEQUENCE EPLRARIAEF LADPETYEDG XRVHQVIDSX NTVXEEAAEP GEGTIVSDIG DATA SEQUENCE FFRHYGVLFA RADQPFGFLT SAGCSSFGYG IPAAIGAQXA RPDQPTFLIA DATA SEQUENCE GDGGFHSNSS DLETIARLNL PIVTVVVNND TNGLIELYQN IGHHRSHDPA DATA SEQUENCE VKFGGVDFVA LAEANGVDAT RATNREELLA ALRKGAELGR PFLIEVPVNY DATA SEQUENCE DFQPGGFGAL S 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.271 177.300 -0.048 0.000 1.155 12 P CA 0.000 63.055 63.100 -0.075 0.000 0.800 12 P CB 0.000 31.603 31.700 -0.162 0.000 0.726 13 T N -2.119 112.440 114.554 0.007 0.000 2.893 13 T HA 0.711 5.060 4.350 -0.001 0.000 0.279 13 T C 1.272 176.000 174.700 0.048 0.000 0.991 13 T CA -0.087 62.025 62.100 0.021 0.000 0.950 13 T CB 1.349 70.225 68.868 0.014 0.000 1.223 13 T HN 0.236 nan 8.240 nan 0.000 0.585 14 A N 0.007 122.852 122.820 0.042 0.000 2.070 14 A HA 0.229 4.549 4.320 -0.001 0.000 0.220 14 A C 2.522 180.142 177.584 0.059 0.000 1.159 14 A CA 1.727 53.796 52.037 0.053 0.000 0.656 14 A CB -1.559 17.465 19.000 0.040 0.000 0.800 14 A HN 1.184 nan 8.150 nan 0.000 0.453 15 A N -0.832 122.008 122.820 0.033 0.000 1.877 15 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 15 A C 1.999 179.585 177.584 0.003 0.000 1.186 15 A CA 1.922 53.947 52.037 -0.019 0.000 0.620 15 A CB -0.875 18.059 19.000 -0.110 0.000 0.822 15 A HN 0.811 nan 8.150 nan 0.000 0.443 16 H N -0.631 118.409 119.070 -0.051 0.000 2.326 16 H HA 0.050 4.605 4.556 -0.001 0.000 0.301 16 H C 2.229 177.558 175.328 0.002 0.000 1.081 16 H CA 1.548 57.577 56.048 -0.031 0.000 1.334 16 H CB -0.104 29.643 29.762 -0.025 0.000 1.385 16 H HN 0.419 nan 8.280 nan 0.000 0.504 17 A N 0.739 123.715 122.820 0.260 0.000 1.978 17 A HA -0.145 4.174 4.320 -0.001 0.000 0.220 17 A C 2.311 179.974 177.584 0.132 0.000 1.170 17 A CA 1.550 53.699 52.037 0.187 0.000 0.636 17 A CB -0.744 18.325 19.000 0.116 0.000 0.810 17 A HN 0.520 nan 8.150 nan 0.000 0.448 18 L N -0.335 120.951 121.223 0.105 0.000 1.988 18 L HA -0.047 4.293 4.340 -0.001 0.000 0.207 18 L C 2.262 179.192 176.870 0.099 0.000 1.071 18 L CA 1.765 56.666 54.840 0.102 0.000 0.744 18 L CB -0.683 41.450 42.059 0.123 0.000 0.893 18 L HN 0.367 nan 8.230 nan 0.000 0.433 19 L N -0.649 120.612 121.223 0.064 0.000 2.046 19 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 19 L C 2.776 179.660 176.870 0.024 0.000 1.077 19 L CA 1.572 56.436 54.840 0.041 0.000 0.747 19 L CB -0.812 41.224 42.059 -0.039 0.000 0.896 19 L HN 0.504 nan 8.230 nan 0.000 0.432 20 S N -0.152 115.555 115.700 0.012 0.000 2.382 20 S HA -0.235 4.234 4.470 -0.001 0.000 0.228 20 S C 2.182 176.835 174.600 0.089 0.000 1.027 20 S CA 1.359 59.585 58.200 0.043 0.000 0.991 20 S CB -0.099 63.184 63.200 0.138 0.000 0.823 20 S HN 0.250 nan 8.310 nan 0.000 0.469 21 R N 0.883 121.450 120.500 0.112 0.000 2.115 21 R HA 0.255 4.594 4.340 -0.001 0.000 0.226 21 R C 2.198 178.613 176.300 0.193 0.000 1.100 21 R CA 1.195 57.386 56.100 0.151 0.000 0.980 21 R CB -0.903 29.479 30.300 0.138 0.000 0.875 21 R HN 0.511 nan 8.270 nan 0.000 0.445 22 L N -0.196 121.105 121.223 0.131 0.000 2.046 22 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 22 L C 2.498 179.449 176.870 0.134 0.000 1.077 22 L CA 1.623 56.536 54.840 0.122 0.000 0.747 22 L CB -0.432 41.691 42.059 0.106 0.000 0.896 22 L HN 0.129 nan 8.230 nan 0.000 0.432 23 R N 0.696 121.253 120.500 0.096 0.000 2.091 23 R HA -0.194 4.146 4.340 -0.001 0.000 0.238 23 R C 1.819 178.160 176.300 0.070 0.000 1.136 23 R CA 1.846 57.987 56.100 0.068 0.000 0.959 23 R CB -0.491 29.832 30.300 0.038 0.000 0.856 23 R HN 0.305 nan 8.270 nan 0.000 0.437 24 D N -0.612 119.835 120.400 0.079 0.000 2.182 24 D HA -0.158 4.482 4.640 -0.001 0.000 0.201 24 D C 1.038 177.314 176.300 -0.039 0.000 0.986 24 D CA 1.193 55.203 54.000 0.018 0.000 0.847 24 D CB -0.266 40.536 40.800 0.004 0.000 0.942 24 D HN 0.491 nan 8.370 nan 0.000 0.467 25 H N -0.756 118.327 119.070 0.023 0.000 2.555 25 H HA 0.244 4.799 4.556 -0.001 0.000 0.283 25 H C 1.326 176.667 175.328 0.022 0.000 1.037 25 H CA 0.625 56.685 56.048 0.020 0.000 1.169 25 H CB 0.455 30.229 29.762 0.020 0.000 1.375 25 H HN 0.211 nan 8.280 nan 0.000 0.582 26 G N 0.840 109.698 108.800 0.097 0.000 2.176 26 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.253 26 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.253 26 G C 0.364 175.302 174.900 0.064 0.000 0.979 26 G CA 0.260 45.399 45.100 0.065 0.000 0.641 26 G HN 0.221 nan 8.290 nan 0.000 0.530 27 V N 0.934 120.896 119.914 0.079 0.000 2.521 27 V HA 0.530 4.649 4.120 -0.001 0.000 0.286 27 V C 1.561 177.675 176.094 0.034 0.000 1.034 27 V CA 1.151 63.488 62.300 0.061 0.000 1.045 27 V CB 1.306 33.173 31.823 0.073 0.000 0.974 27 V HN 0.649 nan 8.190 nan 0.000 0.480 28 G N 4.528 113.334 108.800 0.009 0.000 3.079 28 G HA2 0.198 4.158 3.960 -0.001 0.000 0.233 28 G HA3 0.198 4.158 3.960 -0.001 0.000 0.233 28 G C 0.411 175.266 174.900 -0.074 0.000 1.062 28 G CA -0.136 44.952 45.100 -0.019 0.000 0.809 28 G HN 0.502 nan 8.290 nan 0.000 0.535 29 K N 0.569 120.902 120.400 -0.112 0.000 2.464 29 K HA 0.576 4.895 4.320 -0.001 0.000 0.253 29 K C -1.621 174.793 176.600 -0.309 0.000 0.933 29 K CA -0.606 55.502 56.287 -0.299 0.000 0.801 29 K CB 3.009 35.217 32.500 -0.486 0.000 1.271 29 K HN -0.125 nan 8.250 nan 0.000 0.430 30 V N 3.606 123.252 119.914 -0.446 0.000 2.409 30 V HA 0.433 4.553 4.120 -0.001 0.000 0.291 30 V C -0.730 174.851 176.094 -0.855 0.000 1.020 30 V CA -0.812 61.254 62.300 -0.390 0.000 0.848 30 V CB 0.607 32.322 31.823 -0.179 0.000 0.990 30 V HN 0.523 nan 8.190 nan 0.000 0.430 31 F N 2.886 122.566 119.950 -0.450 0.000 2.385 31 F HA 0.881 5.407 4.527 -0.001 0.000 0.336 31 F C 0.980 176.503 175.800 -0.461 0.000 1.100 31 F CA 0.334 58.023 58.000 -0.520 0.000 1.116 31 F CB 1.859 40.694 39.000 -0.274 0.000 1.166 31 F HN 0.719 nan 8.300 nan 0.000 0.511 32 G N 0.444 109.068 108.800 -0.292 0.000 2.323 32 G HA2 0.447 4.406 3.960 -0.001 0.000 0.291 32 G HA3 0.447 4.406 3.960 -0.001 0.000 0.291 32 G C -2.417 172.664 174.900 0.303 0.000 1.278 32 G CA -0.780 44.384 45.100 0.106 0.000 0.860 32 G HN 0.507 nan 8.290 nan 0.000 0.504 33 V N 0.189 120.356 119.914 0.421 0.000 2.623 33 V HA 0.584 4.703 4.120 -0.001 0.000 0.304 33 V C -0.031 176.288 176.094 0.375 0.000 1.054 33 V CA -0.700 61.796 62.300 0.327 0.000 0.882 33 V CB 1.478 33.407 31.823 0.177 0.000 1.002 33 V HN 0.775 nan 8.190 nan 0.000 0.424 34 V N 3.981 124.013 119.914 0.197 0.000 2.509 34 V HA 0.786 4.905 4.120 -0.001 0.000 0.284 34 V C 0.905 177.086 176.094 0.144 0.000 1.047 34 V CA 0.420 62.807 62.300 0.145 0.000 0.952 34 V CB 1.270 32.991 31.823 -0.170 0.000 0.988 34 V HN 0.973 nan 8.190 nan 0.000 0.469 35 G N 3.424 112.344 108.800 0.199 0.000 3.039 35 G HA2 0.319 4.278 3.960 -0.001 0.000 0.159 35 G HA3 0.319 4.278 3.960 -0.001 0.000 0.159 35 G C 0.754 175.719 174.900 0.108 0.000 1.284 35 G CA -0.215 44.964 45.100 0.133 0.000 0.996 35 G HN 0.734 nan 8.290 nan 0.000 0.592 36 R N 0.067 120.623 120.500 0.093 0.000 2.280 36 R HA 0.033 4.372 4.340 -0.001 0.000 0.207 36 R C 1.624 177.970 176.300 0.076 0.000 1.043 36 R CA 1.598 57.741 56.100 0.073 0.000 1.006 36 R CB -0.183 30.158 30.300 0.069 0.000 0.885 36 R HN 0.532 nan 8.270 nan 0.000 0.467 37 E N 1.575 121.845 120.200 0.117 0.000 2.463 37 E HA -0.144 4.205 4.350 -0.001 0.000 0.201 37 E C 1.487 178.129 176.600 0.070 0.000 1.045 37 E CA 1.093 57.571 56.400 0.131 0.000 0.872 37 E CB -0.061 29.792 29.700 0.255 0.000 0.797 37 E HN 0.475 nan 8.360 nan 0.000 0.538 38 A N 1.702 124.546 122.820 0.041 0.000 2.084 38 A HA -0.051 4.269 4.320 -0.001 0.000 0.221 38 A C 2.466 180.021 177.584 -0.049 0.000 1.161 38 A CA 1.847 53.861 52.037 -0.037 0.000 0.653 38 A CB -0.628 18.354 19.000 -0.029 0.000 0.802 38 A HN 0.443 nan 8.150 nan 0.000 0.457 39 A N -1.123 121.689 122.820 -0.014 0.000 2.067 39 A HA 0.023 4.343 4.320 -0.001 0.000 0.219 39 A C 2.257 179.824 177.584 -0.028 0.000 1.158 39 A CA 1.907 53.935 52.037 -0.015 0.000 0.661 39 A CB -0.357 18.648 19.000 0.008 0.000 0.801 39 A HN 0.445 nan 8.150 nan 0.000 0.452 40 S N -1.859 113.822 115.700 -0.032 0.000 2.497 40 S HA 0.370 4.839 4.470 -0.001 0.000 0.218 40 S C 0.336 174.864 174.600 -0.120 0.000 1.023 40 S CA -0.034 58.140 58.200 -0.044 0.000 0.913 40 S CB 0.146 63.346 63.200 -0.001 0.000 0.800 40 S HN 0.490 nan 8.310 nan 0.000 0.505 41 I N 1.175 121.618 120.570 -0.212 0.000 2.512 41 I HA 0.339 4.509 4.170 -0.001 0.000 0.287 41 I C -0.102 175.692 176.117 -0.539 0.000 1.069 41 I CA -0.517 60.500 61.300 -0.471 0.000 1.056 41 I CB 1.381 38.936 38.000 -0.740 0.000 1.229 41 I HN 0.051 nan 8.210 nan 0.000 0.429 42 L N 6.811 127.760 121.223 -0.458 0.000 2.253 42 L HA 0.229 4.568 4.340 -0.001 0.000 0.205 42 L C 0.300 177.051 176.870 -0.199 0.000 1.078 42 L CA 0.653 55.331 54.840 -0.270 0.000 0.805 42 L CB 0.093 42.059 42.059 -0.154 0.000 0.963 42 L HN 0.829 nan 8.230 nan 0.000 0.459 43 F N -0.304 119.498 119.950 -0.246 0.000 2.482 43 F HA -0.218 4.308 4.527 -0.001 0.000 0.321 43 F C 0.747 176.468 175.800 -0.132 0.000 0.626 43 F CA 0.642 58.513 58.000 -0.215 0.000 1.642 43 F CB -1.841 36.992 39.000 -0.280 0.000 2.098 43 F HN 0.343 nan 8.300 nan 0.000 0.295 44 D N -0.660 119.727 120.400 -0.021 0.000 2.440 44 D HA 0.161 4.801 4.640 -0.001 0.000 0.216 44 D C 1.238 177.501 176.300 -0.062 0.000 1.150 44 D CA 0.309 54.294 54.000 -0.024 0.000 0.832 44 D CB -0.039 40.748 40.800 -0.022 0.000 0.992 44 D HN 0.317 nan 8.370 nan 0.000 0.502 45 E N -0.272 119.860 120.200 -0.113 0.000 2.274 45 E HA 0.085 4.435 4.350 -0.001 0.000 0.194 45 E C -0.058 176.392 176.600 -0.249 0.000 0.996 45 E CA 0.522 56.832 56.400 -0.151 0.000 0.840 45 E CB 0.529 30.117 29.700 -0.187 0.000 0.772 45 E HN 0.094 nan 8.360 nan 0.000 0.491 46 V N 1.199 120.991 119.914 -0.203 0.000 2.482 46 V HA 0.360 4.479 4.120 -0.001 0.000 0.295 46 V C -0.234 175.810 176.094 -0.084 0.000 1.026 46 V CA -0.562 61.618 62.300 -0.201 0.000 0.856 46 V CB 1.123 32.815 31.823 -0.219 0.000 1.001 46 V HN 0.165 nan 8.190 nan 0.000 0.424 47 E N 2.282 122.448 120.200 -0.056 0.000 2.384 47 E HA 0.470 4.820 4.350 -0.001 0.000 0.266 47 E C 1.362 177.949 176.600 -0.020 0.000 1.012 47 E CA 0.423 56.807 56.400 -0.027 0.000 0.901 47 E CB 0.690 30.382 29.700 -0.013 0.000 0.967 47 E HN 2.098 nan 8.360 nan 0.000 0.435 48 G N 1.036 109.827 108.800 -0.015 0.000 2.195 48 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.224 48 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.224 48 G C 0.350 175.242 174.900 -0.013 0.000 0.990 48 G CA 0.105 45.198 45.100 -0.011 0.000 0.639 48 G HN 1.098 nan 8.290 nan 0.000 0.514 49 I N 2.080 122.642 120.570 -0.013 0.000 2.410 49 I HA 0.442 4.611 4.170 -0.001 0.000 0.286 49 I C -1.303 174.810 176.117 -0.007 0.000 1.009 49 I CA -0.900 60.394 61.300 -0.009 0.000 1.111 49 I CB 1.191 39.201 38.000 0.016 0.000 1.262 49 I HN -0.023 nan 8.210 nan 0.000 0.443 50 D N 6.982 127.350 120.400 -0.053 0.000 2.198 50 D HA 0.251 4.890 4.640 -0.001 0.000 0.247 50 D C -0.866 175.356 176.300 -0.130 0.000 1.010 50 D CA -0.131 53.833 54.000 -0.060 0.000 0.880 50 D CB 2.283 43.026 40.800 -0.093 0.000 1.209 50 D HN 0.230 nan 8.370 nan 0.000 0.451 51 F N 1.235 121.027 119.950 -0.263 0.000 2.396 51 F HA 0.269 4.796 4.527 -0.001 0.000 0.343 51 F C -0.265 175.322 175.800 -0.354 0.000 1.104 51 F CA -0.403 57.340 58.000 -0.428 0.000 1.161 51 F CB 0.953 39.596 39.000 -0.596 0.000 1.146 51 F HN -0.032 nan 8.300 nan 0.000 0.522 52 V N 7.729 127.109 119.914 -0.890 0.000 2.326 52 V HA 0.246 4.366 4.120 -0.001 0.000 0.281 52 V C -0.609 175.222 176.094 -0.439 0.000 1.015 52 V CA -0.821 61.147 62.300 -0.552 0.000 0.823 52 V CB 1.067 32.460 31.823 -0.716 0.000 1.009 52 V HN 0.595 nan 8.190 nan 0.000 0.436 53 L N 6.500 127.687 121.223 -0.060 0.000 2.290 53 L HA 0.705 5.044 4.340 -0.001 0.000 0.284 53 L C 0.642 177.549 176.870 0.062 0.000 1.078 53 L CA 0.828 55.739 54.840 0.117 0.000 0.815 53 L CB 1.412 43.588 42.059 0.196 0.000 1.162 53 L HN 0.864 nan 8.230 nan 0.000 0.435 54 T N 1.669 116.270 114.554 0.079 0.000 2.919 54 T HA 0.527 4.877 4.350 -0.001 0.000 0.282 54 T C 0.961 175.716 174.700 0.091 0.000 1.020 54 T CA -0.763 61.380 62.100 0.072 0.000 0.994 54 T CB 1.236 70.141 68.868 0.062 0.000 1.180 54 T HN 0.513 nan 8.240 nan 0.000 0.566 55 R N -0.379 120.175 120.500 0.090 0.000 2.210 55 R HA 0.231 4.570 4.340 -0.001 0.000 0.203 55 R C 0.524 176.929 176.300 0.174 0.000 1.010 55 R CA 0.577 56.740 56.100 0.105 0.000 1.008 55 R CB -0.626 29.717 30.300 0.072 0.000 0.923 55 R HN 0.791 nan 8.270 nan 0.000 0.469 56 H N -0.553 118.552 119.070 0.058 0.000 2.974 56 H HA 0.129 4.684 4.556 -0.001 0.000 0.366 56 H C -0.211 175.176 175.328 0.098 0.000 1.155 56 H CA -0.253 55.843 56.048 0.080 0.000 1.186 56 H CB 1.946 31.761 29.762 0.088 0.000 1.799 56 H HN -0.207 nan 8.280 nan 0.000 0.541 57 E N 2.697 122.748 120.200 -0.248 0.000 2.204 57 E HA -0.124 4.225 4.350 -0.001 0.000 0.195 57 E C 1.526 178.162 176.600 0.061 0.000 0.990 57 E CA 1.141 57.497 56.400 -0.073 0.000 0.821 57 E CB -0.050 29.587 29.700 -0.105 0.000 0.750 57 E HN 0.468 nan 8.360 nan 0.000 0.477 58 F N 1.276 121.275 119.950 0.082 0.000 2.102 58 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 58 F C 2.033 177.874 175.800 0.068 0.000 1.105 58 F CA 1.710 59.802 58.000 0.154 0.000 1.239 58 F CB -0.703 38.477 39.000 0.299 0.000 0.991 58 F HN -0.099 nan 8.300 nan 0.000 0.474 59 T N 0.871 115.371 114.554 -0.090 0.000 2.720 59 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 59 T C 2.206 176.730 174.700 -0.293 0.000 1.037 59 T CA 1.556 63.489 62.100 -0.278 0.000 1.144 59 T CB -0.868 67.963 68.868 -0.061 0.000 0.864 59 T HN 0.420 nan 8.240 nan 0.000 0.444 60 A N 1.249 123.984 122.820 -0.142 0.000 1.898 60 A HA 0.143 4.462 4.320 -0.001 0.000 0.216 60 A C 2.636 180.094 177.584 -0.209 0.000 1.181 60 A CA 1.825 53.796 52.037 -0.110 0.000 0.620 60 A CB -1.320 17.699 19.000 0.032 0.000 0.819 60 A HN 0.511 nan 8.150 nan 0.000 0.442 61 G N -0.614 108.086 108.800 -0.168 0.000 2.421 61 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.216 61 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.216 61 G C 1.488 176.229 174.900 -0.266 0.000 1.171 61 G CA 1.265 46.274 45.100 -0.152 0.000 0.775 61 G HN 0.321 nan 8.290 nan 0.000 0.543 62 V N 1.423 121.085 119.914 -0.420 0.000 2.427 62 V HA -0.057 4.063 4.120 -0.001 0.000 0.248 62 V C 3.264 179.066 176.094 -0.487 0.000 1.051 62 V CA 1.828 63.858 62.300 -0.450 0.000 1.048 62 V CB -0.623 30.788 31.823 -0.687 0.000 0.666 62 V HN 0.470 nan 8.190 nan 0.000 0.456 63 A N 0.094 122.549 122.820 -0.609 0.000 1.898 63 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 63 A C 2.433 179.503 177.584 -0.856 0.000 1.181 63 A CA 1.865 53.432 52.037 -0.785 0.000 0.620 63 A CB -0.694 17.670 19.000 -1.060 0.000 0.819 63 A HN 0.537 nan 8.150 nan 0.000 0.442 64 A N 0.197 122.540 122.820 -0.795 0.000 1.877 64 A HA -0.238 4.081 4.320 -0.001 0.000 0.216 64 A C 1.971 179.421 177.584 -0.224 0.000 1.186 64 A CA 1.907 53.703 52.037 -0.401 0.000 0.620 64 A CB -0.694 18.221 19.000 -0.142 0.000 0.822 64 A HN 0.658 nan 8.150 nan 0.000 0.443 65 D N -0.079 120.195 120.400 -0.210 0.000 2.104 65 D HA -0.142 4.497 4.640 -0.001 0.000 0.194 65 D C 1.880 178.088 176.300 -0.153 0.000 0.994 65 D CA 1.994 55.913 54.000 -0.134 0.000 0.830 65 D CB -0.030 40.715 40.800 -0.091 0.000 0.959 65 D HN 0.224 nan 8.370 nan 0.000 0.452 66 V N 0.918 120.705 119.914 -0.212 0.000 2.453 66 V HA -0.179 3.940 4.120 -0.001 0.000 0.247 66 V C 2.586 178.570 176.094 -0.182 0.000 1.048 66 V CA 0.915 63.088 62.300 -0.212 0.000 1.049 66 V CB -0.382 31.284 31.823 -0.262 0.000 0.672 66 V HN 0.210 nan 8.190 nan 0.000 0.457 67 L N 1.011 122.130 121.223 -0.173 0.000 2.046 67 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 67 L C 2.454 179.295 176.870 -0.049 0.000 1.077 67 L CA 2.363 57.153 54.840 -0.084 0.000 0.747 67 L CB -0.940 41.100 42.059 -0.032 0.000 0.896 67 L HN 0.234 nan 8.230 nan 0.000 0.432 68 A N -0.402 122.382 122.820 -0.059 0.000 1.933 68 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 68 A C 2.524 180.079 177.584 -0.050 0.000 1.175 68 A CA 1.776 53.794 52.037 -0.032 0.000 0.628 68 A CB -0.638 18.346 19.000 -0.028 0.000 0.814 68 A HN 0.536 nan 8.150 nan 0.000 0.444 69 R N -0.246 120.179 120.500 -0.124 0.000 2.075 69 R HA -0.032 4.307 4.340 -0.001 0.000 0.232 69 R C 1.816 178.018 176.300 -0.163 0.000 1.126 69 R CA 1.810 57.778 56.100 -0.220 0.000 0.963 69 R CB -0.360 29.680 30.300 -0.433 0.000 0.858 69 R HN 0.518 nan 8.270 nan 0.000 0.435 70 I N 0.576 121.077 120.570 -0.116 0.000 2.333 70 I HA -0.166 4.004 4.170 -0.001 0.000 0.246 70 I C 2.271 178.442 176.117 0.091 0.000 1.106 70 I CA 1.522 62.848 61.300 0.044 0.000 1.411 70 I CB -0.292 37.721 38.000 0.022 0.000 1.082 70 I HN 0.382 nan 8.210 nan 0.000 0.420 71 T N -1.686 112.897 114.554 0.048 0.000 3.023 71 T HA 0.075 4.425 4.350 -0.001 0.000 0.266 71 T C 1.713 176.452 174.700 0.065 0.000 1.093 71 T CA 0.649 62.782 62.100 0.056 0.000 1.129 71 T CB -0.229 68.665 68.868 0.044 0.000 0.899 71 T HN 0.514 nan 8.240 nan 0.000 0.491 72 G N 1.691 110.530 108.800 0.065 0.000 2.179 72 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.257 72 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.257 72 G C 0.053 174.984 174.900 0.052 0.000 1.010 72 G CA 0.161 45.302 45.100 0.067 0.000 0.736 72 G HN 0.714 nan 8.290 nan 0.000 0.513 73 R N -0.220 120.307 120.500 0.045 0.000 2.740 73 R HA 0.477 4.816 4.340 -0.001 0.000 0.282 73 R C -2.797 173.529 176.300 0.045 0.000 0.969 73 R CA -2.204 53.925 56.100 0.049 0.000 0.918 73 R CB 1.811 32.143 30.300 0.053 0.000 1.175 73 R HN -0.017 nan 8.270 nan 0.000 0.464 74 P HA -0.015 nan 4.420 nan 0.000 0.265 74 P C -0.802 176.528 177.300 0.050 0.000 1.193 74 P CA 0.193 63.316 63.100 0.039 0.000 0.765 74 P CB 0.699 32.418 31.700 0.033 0.000 0.823 75 Q N 1.109 120.938 119.800 0.048 0.000 2.495 75 Q HA 0.835 5.175 4.340 -0.001 0.000 0.283 75 Q C -0.812 175.241 176.000 0.088 0.000 1.097 75 Q CA -0.956 54.894 55.803 0.079 0.000 0.836 75 Q CB 2.548 31.337 28.738 0.084 0.000 1.426 75 Q HN 0.431 nan 8.270 nan 0.000 0.459 76 A N 0.210 123.111 122.820 0.135 0.000 2.449 76 A HA 0.819 5.138 4.320 -0.001 0.000 0.302 76 A C -0.540 177.161 177.584 0.195 0.000 1.048 76 A CA -0.522 51.602 52.037 0.146 0.000 0.708 76 A CB 0.856 19.945 19.000 0.149 0.000 1.274 76 A HN 0.851 nan 8.150 nan 0.000 0.410 77 C N -0.492 118.920 119.300 0.187 0.000 3.080 77 C HA 0.969 5.429 4.460 -0.001 0.000 0.307 77 C C -1.118 174.041 174.990 0.282 0.000 1.311 77 C CA -0.929 58.212 59.018 0.204 0.000 1.533 77 C CB 1.386 29.199 27.740 0.122 0.000 1.970 77 C HN 1.078 nan 8.230 nan 0.000 0.467 78 W N 1.214 122.571 121.300 0.094 0.000 3.097 78 W HA 0.653 5.313 4.660 -0.001 0.000 0.335 78 W C -1.078 175.542 176.519 0.169 0.000 1.114 78 W CA -0.058 57.392 57.345 0.174 0.000 1.231 78 W CB 2.166 31.799 29.460 0.289 0.000 1.388 78 W HN 1.315 nan 8.180 nan 0.000 0.485 79 A N 2.657 125.383 122.820 -0.156 0.000 2.566 79 A HA 0.623 4.942 4.320 -0.001 0.000 0.292 79 A C -0.654 176.891 177.584 -0.065 0.000 1.112 79 A CA -0.436 51.624 52.037 0.038 0.000 0.707 79 A CB 1.834 20.841 19.000 0.012 0.000 1.302 79 A HN 0.457 nan 8.150 nan 0.000 0.409 80 T N 0.117 114.731 114.554 0.101 0.000 2.732 80 T HA 0.487 4.836 4.350 -0.001 0.000 0.287 80 T C 0.686 175.390 174.700 0.006 0.000 0.993 80 T CA 0.049 62.203 62.100 0.090 0.000 0.966 80 T CB -0.159 68.781 68.868 0.119 0.000 1.047 80 T HN 1.100 nan 8.240 nan 0.000 0.527 81 L N 0.185 121.410 121.223 0.003 0.000 2.474 81 L HA 0.589 4.928 4.340 -0.001 0.000 0.259 81 L C 1.372 178.223 176.870 -0.032 0.000 1.232 81 L CA -0.142 54.686 54.840 -0.020 0.000 0.821 81 L CB -0.916 41.125 42.059 -0.029 0.000 1.108 81 L HN 0.920 nan 8.230 nan 0.000 0.495 82 G N 1.223 110.000 108.800 -0.039 0.000 2.646 82 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.324 82 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.324 82 G C -1.005 173.871 174.900 -0.040 0.000 1.195 82 G CA 0.414 45.485 45.100 -0.049 0.000 0.976 82 G HN 0.804 nan 8.290 nan 0.000 0.546 83 P HA 0.110 nan 4.420 nan 0.000 0.221 83 P C 1.586 178.868 177.300 -0.030 0.000 1.150 83 P CA 1.841 64.925 63.100 -0.026 0.000 0.800 83 P CB -0.610 31.081 31.700 -0.016 0.000 0.787 87 N N 1.552 120.234 118.700 -0.030 0.000 2.142 87 N HA 0.150 4.890 4.740 -0.001 0.000 0.186 87 N C 1.661 177.179 175.510 0.013 0.000 1.023 87 N CA 1.363 54.391 53.050 -0.036 0.000 0.852 87 N CB -0.497 37.853 38.487 -0.229 0.000 0.998 87 N HN 0.334 nan 8.380 nan 0.000 0.424 88 L N 1.068 122.286 121.223 -0.008 0.000 2.191 88 L HA -0.102 4.237 4.340 -0.001 0.000 0.212 88 L C 2.199 179.095 176.870 0.042 0.000 1.103 88 L CA 1.239 56.096 54.840 0.030 0.000 0.769 88 L CB -0.747 41.322 42.059 0.017 0.000 0.908 88 L HN 0.232 nan 8.230 nan 0.000 0.438 89 S N -2.673 113.026 115.700 -0.002 0.000 2.399 89 S HA -0.202 4.268 4.470 -0.001 0.000 0.231 89 S C 1.856 176.480 174.600 0.040 0.000 1.022 89 S CA 1.617 59.799 58.200 -0.029 0.000 0.983 89 S CB -0.971 62.180 63.200 -0.080 0.000 0.803 89 S HN 0.512 nan 8.310 nan 0.000 0.480 90 T N 1.635 116.254 114.554 0.109 0.000 2.821 90 T HA 0.072 4.421 4.350 -0.001 0.000 0.267 90 T C 1.991 176.870 174.700 0.299 0.000 1.046 90 T CA 1.275 63.481 62.100 0.177 0.000 1.139 90 T CB -1.062 67.895 68.868 0.149 0.000 0.871 90 T HN 0.650 nan 8.240 nan 0.000 0.454 91 G N 1.424 110.410 108.800 0.311 0.000 2.418 91 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.217 91 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.217 91 G C 1.507 176.455 174.900 0.079 0.000 1.158 91 G CA 0.521 45.713 45.100 0.154 0.000 0.771 91 G HN 0.492 nan 8.290 nan 0.000 0.545 92 I N 1.386 121.990 120.570 0.057 0.000 2.226 92 I HA -0.173 3.997 4.170 -0.001 0.000 0.245 92 I C 3.281 179.416 176.117 0.030 0.000 1.100 92 I CA 0.966 62.282 61.300 0.027 0.000 1.374 92 I CB -0.203 37.786 38.000 -0.018 0.000 1.057 92 I HN 0.241 nan 8.210 nan 0.000 0.413 93 A N 0.166 123.010 122.820 0.040 0.000 1.933 93 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 93 A C 2.380 179.994 177.584 0.050 0.000 1.175 93 A CA 2.401 54.459 52.037 0.035 0.000 0.628 93 A CB -1.050 17.971 19.000 0.035 0.000 0.814 93 A HN 0.376 nan 8.150 nan 0.000 0.444 94 T N -0.578 114.031 114.554 0.092 0.000 2.746 94 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 94 T C 2.297 177.025 174.700 0.046 0.000 1.039 94 T CA 1.880 64.036 62.100 0.094 0.000 1.142 94 T CB -0.269 68.703 68.868 0.172 0.000 0.866 94 T HN 0.619 nan 8.240 nan 0.000 0.444 95 S N 0.187 115.908 115.700 0.034 0.000 2.406 95 S HA -0.025 4.444 4.470 -0.001 0.000 0.228 95 S C 2.150 176.757 174.600 0.012 0.000 1.020 95 S CA 0.857 59.066 58.200 0.015 0.000 0.965 95 S CB -0.404 62.802 63.200 0.010 0.000 0.798 95 S HN 0.266 nan 8.310 nan 0.000 0.488 96 V N 1.028 120.952 119.914 0.015 0.000 2.453 96 V HA 0.084 4.203 4.120 -0.001 0.000 0.247 96 V C 2.141 178.236 176.094 0.003 0.000 1.048 96 V CA 1.681 63.987 62.300 0.011 0.000 1.049 96 V CB -0.284 31.546 31.823 0.011 0.000 0.672 96 V HN 0.574 nan 8.190 nan 0.000 0.457 97 L N -0.500 120.722 121.223 -0.003 0.000 2.162 97 L HA 0.020 4.359 4.340 -0.001 0.000 0.205 97 L C 2.031 178.884 176.870 -0.028 0.000 1.086 97 L CA 1.185 56.014 54.840 -0.017 0.000 0.778 97 L CB -0.416 41.630 42.059 -0.023 0.000 0.928 97 L HN 0.282 nan 8.230 nan 0.000 0.446 98 D N 0.025 120.410 120.400 -0.024 0.000 2.347 98 D HA -0.019 4.621 4.640 -0.001 0.000 0.213 98 D C -0.081 176.205 176.300 -0.024 0.000 0.985 98 D CA 0.219 54.200 54.000 -0.033 0.000 0.879 98 D CB 0.167 40.947 40.800 -0.033 0.000 0.919 98 D HN -0.017 nan 8.370 nan 0.000 0.526 99 R N 0.260 120.752 120.500 -0.013 0.000 2.823 99 R HA -0.105 4.235 4.340 -0.001 0.000 0.294 99 R C -0.593 175.701 176.300 -0.010 0.000 0.952 99 R CA 0.201 56.298 56.100 -0.005 0.000 0.695 99 R CB -3.198 27.102 30.300 -0.000 0.000 1.795 99 R HN 0.337 nan 8.270 nan 0.000 0.468 100 S N -0.225 115.468 115.700 -0.011 0.000 2.549 100 S HA 0.799 5.268 4.470 -0.001 0.000 0.280 100 S C -2.776 171.822 174.600 -0.003 0.000 1.109 100 S CA -1.668 56.521 58.200 -0.018 0.000 0.905 100 S CB 3.656 66.831 63.200 -0.043 0.000 1.081 100 S HN 0.118 nan 8.310 nan 0.000 0.477 101 P HA 0.346 nan 4.420 nan 0.000 0.266 101 P C -0.907 176.399 177.300 0.011 0.000 1.586 101 P CA -0.304 62.802 63.100 0.009 0.000 1.088 101 P CB 0.452 32.159 31.700 0.012 0.000 1.584 102 V N 5.469 125.393 119.914 0.018 0.000 2.513 102 V HA 0.321 4.440 4.120 -0.001 0.000 0.299 102 V C 0.450 176.572 176.094 0.046 0.000 1.035 102 V CA -0.773 61.544 62.300 0.028 0.000 0.889 102 V CB 2.086 33.922 31.823 0.021 0.000 0.988 102 V HN 0.292 nan 8.190 nan 0.000 0.440 103 I N 4.273 124.874 120.570 0.051 0.000 2.297 103 I HA 0.509 4.679 4.170 -0.001 0.000 0.291 103 I C 0.582 176.754 176.117 0.091 0.000 1.033 103 I CA -0.453 60.882 61.300 0.058 0.000 1.253 103 I CB 0.867 38.883 38.000 0.027 0.000 1.396 103 I HN 0.675 nan 8.210 nan 0.000 0.476 104 A N 8.284 131.177 122.820 0.121 0.000 2.274 104 A HA 0.821 5.140 4.320 -0.001 0.000 0.309 104 A C -0.427 177.202 177.584 0.076 0.000 1.226 104 A CA -0.425 51.706 52.037 0.157 0.000 0.853 104 A CB 0.594 19.742 19.000 0.245 0.000 1.146 104 A HN 0.670 nan 8.150 nan 0.000 0.518 105 L N 1.855 123.054 121.223 -0.039 0.000 2.365 105 L HA 0.826 5.166 4.340 -0.001 0.000 0.273 105 L C 0.128 176.674 176.870 -0.540 0.000 1.000 105 L CA -0.424 54.215 54.840 -0.336 0.000 0.819 105 L CB 2.206 44.101 42.059 -0.273 0.000 1.284 105 L HN 0.788 nan 8.230 nan 0.000 0.418 106 A N 1.815 124.292 122.820 -0.573 0.000 2.488 106 A HA 0.878 5.198 4.320 -0.001 0.000 0.298 106 A C -0.401 176.934 177.584 -0.416 0.000 1.044 106 A CA -0.398 51.355 52.037 -0.474 0.000 0.693 106 A CB 1.548 20.542 19.000 -0.009 0.000 1.272 106 A HN 0.796 nan 8.150 nan 0.000 0.402 107 A N 0.804 123.424 122.820 -0.332 0.000 2.429 107 A HA 0.549 4.869 4.320 -0.001 0.000 0.242 107 A C 0.219 177.758 177.584 -0.074 0.000 1.088 107 A CA 0.542 52.506 52.037 -0.120 0.000 0.784 107 A CB 0.325 19.345 19.000 0.033 0.000 1.038 107 A HN 1.233 nan 8.150 nan 0.000 0.501 108 Q N -0.383 119.386 119.800 -0.052 0.000 2.501 108 Q HA 0.517 4.857 4.340 -0.001 0.000 0.288 108 Q C -0.497 175.474 176.000 -0.049 0.000 1.051 108 Q CA -0.297 55.477 55.803 -0.049 0.000 0.788 108 Q CB 1.664 30.365 28.738 -0.062 0.000 1.469 108 Q HN 0.757 nan 8.270 nan 0.000 0.416 109 S N 1.681 117.345 115.700 -0.060 0.000 2.559 109 S HA 0.039 4.508 4.470 -0.001 0.000 0.282 109 S C -0.541 173.989 174.600 -0.116 0.000 1.336 109 S CA -0.069 58.086 58.200 -0.075 0.000 1.037 109 S CB 0.026 63.175 63.200 -0.086 0.000 0.853 109 S HN 0.551 nan 8.310 nan 0.000 0.523 110 E N 1.686 121.804 120.200 -0.137 0.000 2.653 110 E HA -0.053 4.297 4.350 -0.001 0.000 0.264 110 E C 1.354 177.757 176.600 -0.328 0.000 0.949 110 E CA 0.584 56.859 56.400 -0.209 0.000 0.953 110 E CB 0.277 29.813 29.700 -0.274 0.000 0.925 110 E HN 0.648 nan 8.360 nan 0.000 0.475 111 S N 2.853 118.431 115.700 -0.203 0.000 2.374 111 S HA -0.309 4.160 4.470 -0.001 0.000 0.227 111 S C 1.645 176.118 174.600 -0.212 0.000 1.037 111 S CA 1.810 59.913 58.200 -0.162 0.000 1.024 111 S CB -0.652 62.516 63.200 -0.053 0.000 0.861 111 S HN 0.793 nan 8.310 nan 0.000 0.456 112 H N -0.315 118.707 119.070 -0.079 0.000 2.559 112 H HA 0.377 4.933 4.556 -0.001 0.000 0.273 112 H C 0.909 176.168 175.328 -0.116 0.000 1.000 112 H CA 1.032 57.036 56.048 -0.073 0.000 1.195 112 H CB -0.367 29.389 29.762 -0.009 0.000 1.368 112 H HN 0.435 nan 8.280 nan 0.000 0.592 113 D N 0.186 120.248 120.400 -0.562 0.000 2.535 113 D HA 0.164 4.803 4.640 -0.001 0.000 0.229 113 D C -0.409 175.630 176.300 -0.435 0.000 1.238 113 D CA -0.301 53.489 54.000 -0.351 0.000 0.824 113 D CB -0.022 40.603 40.800 -0.291 0.000 1.045 113 D HN 0.381 nan 8.370 nan 0.000 0.500 114 I N 1.596 121.802 120.570 -0.606 0.000 2.329 114 I HA 0.148 4.317 4.170 -0.001 0.000 0.295 114 I C -0.607 175.083 176.117 -0.711 0.000 1.109 114 I CA 0.003 61.026 61.300 -0.462 0.000 1.297 114 I CB -0.010 37.805 38.000 -0.308 0.000 1.433 114 I HN -0.106 nan 8.210 nan 0.000 0.509 115 F N 7.341 127.278 119.950 -0.021 0.000 2.676 115 F HA 0.393 4.919 4.527 -0.001 0.000 0.371 115 F C -2.292 173.503 175.800 -0.009 0.000 1.141 115 F CA -2.769 55.225 58.000 -0.009 0.000 1.133 115 F CB 0.784 39.783 39.000 -0.001 0.000 1.376 115 F HN 0.242 nan 8.300 nan 0.000 0.491 116 P HA 0.065 nan 4.420 nan 0.000 0.264 116 P C 0.077 177.419 177.300 0.070 0.000 1.193 116 P CA 0.634 63.768 63.100 0.057 0.000 0.763 116 P CB 0.414 32.129 31.700 0.026 0.000 0.810 117 N N 1.017 119.747 118.700 0.050 0.000 2.828 117 N HA -0.168 4.571 4.740 -0.001 0.000 0.248 117 N C 0.172 175.716 175.510 0.057 0.000 1.044 117 N CA 1.313 54.388 53.050 0.043 0.000 0.851 117 N CB -1.497 37.008 38.487 0.030 0.000 1.136 117 N HN 0.530 nan 8.380 nan 0.000 0.572 118 D N -1.034 119.419 120.400 0.089 0.000 2.680 118 D HA 0.071 4.711 4.640 -0.001 0.000 0.295 118 D C 0.126 176.493 176.300 0.111 0.000 1.097 118 D CA 0.584 54.634 54.000 0.084 0.000 0.952 118 D CB 0.075 40.915 40.800 0.066 0.000 1.491 118 D HN 0.028 nan 8.370 nan 0.000 0.486 119 T N 1.330 115.986 114.554 0.170 0.000 2.916 119 T HA 0.008 4.357 4.350 -0.001 0.000 0.303 119 T C 0.161 174.944 174.700 0.139 0.000 1.025 119 T CA 0.003 62.207 62.100 0.173 0.000 1.142 119 T CB 0.516 69.496 68.868 0.186 0.000 0.947 119 T HN 0.075 nan 8.240 nan 0.000 0.544 120 H N 3.297 122.398 119.070 0.051 0.000 3.214 120 H HA -0.082 4.474 4.556 -0.001 0.000 0.291 120 H C 1.099 176.446 175.328 0.030 0.000 0.926 120 H CA 1.203 57.273 56.048 0.036 0.000 1.409 120 H CB -0.200 29.582 29.762 0.033 0.000 1.406 120 H HN 0.791 nan 8.280 nan 0.000 0.561 121 Q N 1.127 120.732 119.800 -0.326 0.000 2.460 121 Q HA -0.261 4.078 4.340 -0.001 0.000 0.248 121 Q C -0.417 175.511 176.000 -0.120 0.000 0.847 121 Q CA 1.077 56.708 55.803 -0.287 0.000 1.214 121 Q CB -1.844 26.642 28.738 -0.420 0.000 1.523 121 Q HN 0.602 nan 8.270 nan 0.000 0.602 122 C N 1.373 120.639 119.300 -0.056 0.000 2.251 122 C HA 0.676 5.135 4.460 -0.001 0.000 0.323 122 C C 0.137 175.119 174.990 -0.013 0.000 1.241 122 C CA -0.511 58.491 59.018 -0.027 0.000 1.601 122 C CB -0.346 27.395 27.740 0.002 0.000 2.251 122 C HN 0.344 nan 8.230 nan 0.000 0.488 123 L N 4.211 125.421 121.223 -0.022 0.000 2.319 123 L HA 0.455 4.795 4.340 -0.001 0.000 0.267 123 L C 0.023 176.883 176.870 -0.017 0.000 1.011 123 L CA -0.498 54.332 54.840 -0.018 0.000 0.818 123 L CB 1.253 43.295 42.059 -0.028 0.000 1.316 123 L HN 0.486 nan 8.230 nan 0.000 0.432 124 D N 0.365 120.755 120.400 -0.016 0.000 2.498 124 D HA 0.072 4.712 4.640 -0.001 0.000 0.229 124 D C 0.884 177.172 176.300 -0.020 0.000 1.188 124 D CA 0.229 54.219 54.000 -0.016 0.000 1.028 124 D CB 0.682 41.473 40.800 -0.015 0.000 1.087 124 D HN 0.436 nan 8.370 nan 0.000 0.510 125 S N 1.059 116.762 115.700 0.004 0.000 2.370 125 S HA -0.139 4.330 4.470 -0.001 0.000 0.226 125 S C 2.152 176.743 174.600 -0.015 0.000 1.033 125 S CA 0.730 58.931 58.200 0.002 0.000 1.011 125 S CB 0.059 63.358 63.200 0.166 0.000 0.852 125 S HN 0.442 nan 8.310 nan 0.000 0.457 126 V N 1.919 121.892 119.914 0.098 0.000 2.343 126 V HA -0.186 3.933 4.120 -0.001 0.000 0.247 126 V C 2.614 178.697 176.094 -0.018 0.000 1.051 126 V CA 1.686 64.040 62.300 0.089 0.000 1.036 126 V CB -1.179 30.681 31.823 0.062 0.000 0.654 126 V HN 0.551 nan 8.190 nan 0.000 0.451 127 A N -0.303 122.499 122.820 -0.030 0.000 1.930 127 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 127 A C 2.155 179.700 177.584 -0.065 0.000 1.175 127 A CA 1.547 53.559 52.037 -0.042 0.000 0.627 127 A CB -0.477 18.505 19.000 -0.031 0.000 0.815 127 A HN 0.511 nan 8.150 nan 0.000 0.443 128 I N -0.764 119.752 120.570 -0.091 0.000 2.315 128 I HA -0.161 4.008 4.170 -0.001 0.000 0.248 128 I C 2.046 178.068 176.117 -0.159 0.000 1.117 128 I CA 0.943 62.174 61.300 -0.116 0.000 1.404 128 I CB 0.019 37.944 38.000 -0.125 0.000 1.071 128 I HN 0.147 nan 8.210 nan 0.000 0.419 129 V N 0.232 120.006 119.914 -0.234 0.000 2.992 129 V HA 0.043 4.163 4.120 -0.001 0.000 0.250 129 V C 2.531 178.534 176.094 -0.152 0.000 1.090 129 V CA 1.104 63.225 62.300 -0.299 0.000 1.101 129 V CB -0.248 31.150 31.823 -0.708 0.000 0.743 129 V HN 0.391 nan 8.190 nan 0.000 0.468 130 A N 0.889 123.653 122.820 -0.094 0.000 1.903 130 A HA -0.099 4.221 4.320 -0.001 0.000 0.219 130 A C -0.414 177.150 177.584 -0.034 0.000 1.191 130 A CA 1.524 53.534 52.037 -0.045 0.000 0.638 130 A CB -1.755 17.221 19.000 -0.039 0.000 0.823 130 A HN 0.539 nan 8.150 nan 0.000 0.451 134 K N -0.333 120.127 120.400 0.099 0.000 2.365 134 K HA 0.261 4.581 4.320 -0.001 0.000 0.197 134 K C -0.407 176.312 176.600 0.199 0.000 1.042 134 K CA 0.939 57.296 56.287 0.116 0.000 0.987 134 K CB -0.361 32.199 32.500 0.099 0.000 0.779 134 K HN 0.695 nan 8.250 nan 0.000 0.484 135 Y N -0.793 119.530 120.300 0.039 0.000 2.393 135 Y HA 0.403 4.952 4.550 -0.001 0.000 0.320 135 Y C -2.101 173.848 175.900 0.083 0.000 1.241 135 Y CA -1.174 56.951 58.100 0.042 0.000 1.122 135 Y CB 1.247 39.722 38.460 0.026 0.000 1.322 135 Y HN -0.057 nan 8.280 nan 0.000 0.441 136 A N 4.944 127.552 122.820 -0.354 0.000 2.465 136 A HA 0.792 5.112 4.320 -0.001 0.000 0.292 136 A C -2.206 175.165 177.584 -0.355 0.000 1.041 136 A CA -0.423 51.526 52.037 -0.146 0.000 0.718 136 A CB 1.462 20.505 19.000 0.071 0.000 1.266 136 A HN 1.174 nan 8.150 nan 0.000 0.403 137 V N 1.523 121.247 119.914 -0.317 0.000 3.087 137 V HA 0.645 4.764 4.120 -0.001 0.000 0.306 137 V C -1.036 174.938 176.094 -0.200 0.000 1.187 137 V CA -0.503 61.627 62.300 -0.284 0.000 0.999 137 V CB 2.073 33.681 31.823 -0.360 0.000 1.049 137 V HN 1.008 nan 8.190 nan 0.000 0.431 138 E N 3.599 123.713 120.200 -0.142 0.000 2.151 138 E HA 0.441 4.790 4.350 -0.001 0.000 0.275 138 E C -1.067 175.466 176.600 -0.111 0.000 0.936 138 E CA -0.836 55.486 56.400 -0.131 0.000 0.777 138 E CB 1.783 31.429 29.700 -0.090 0.000 1.108 138 E HN 0.657 nan 8.360 nan 0.000 0.401 139 L N 4.161 125.315 121.223 -0.115 0.000 2.490 139 L HA -0.029 4.311 4.340 -0.001 0.000 0.274 139 L C 0.504 177.330 176.870 -0.074 0.000 1.201 139 L CA 1.225 56.013 54.840 -0.087 0.000 0.869 139 L CB 0.620 42.632 42.059 -0.078 0.000 1.123 139 L HN 0.787 nan 8.230 nan 0.000 0.484 140 Q N 3.157 122.917 119.800 -0.068 0.000 2.459 140 Q HA 0.307 4.646 4.340 -0.001 0.000 0.260 140 Q C -0.220 175.752 176.000 -0.048 0.000 0.828 140 Q CA -0.011 55.759 55.803 -0.056 0.000 0.987 140 Q CB 0.905 29.612 28.738 -0.052 0.000 1.216 140 Q HN 0.596 nan 8.270 nan 0.000 0.558 141 R N 0.555 121.011 120.500 -0.073 0.000 2.476 141 R HA 0.251 4.590 4.340 -0.001 0.000 0.305 141 R C -2.227 174.010 176.300 -0.105 0.000 0.965 141 R CA -1.790 54.266 56.100 -0.073 0.000 0.867 141 R CB 1.567 31.808 30.300 -0.099 0.000 1.176 141 R HN -0.093 nan 8.270 nan 0.000 0.447 142 P HA -0.282 nan 4.420 nan 0.000 0.217 142 P C 0.959 178.254 177.300 -0.008 0.000 1.158 142 P CA 1.459 64.557 63.100 -0.004 0.000 0.887 142 P CB 0.004 31.728 31.700 0.040 0.000 0.792 143 H N -0.341 118.736 119.070 0.011 0.000 2.491 143 H HA 0.038 4.594 4.556 -0.001 0.000 0.290 143 H C 1.057 176.396 175.328 0.019 0.000 1.050 143 H CA 0.932 56.989 56.048 0.014 0.000 1.309 143 H CB -0.603 29.164 29.762 0.008 0.000 1.392 143 H HN 0.228 nan 8.280 nan 0.000 0.554 144 E N 0.435 120.331 120.200 -0.507 0.000 2.516 144 E HA -0.040 4.310 4.350 -0.001 0.000 0.199 144 E C 1.723 178.266 176.600 -0.095 0.000 1.069 144 E CA 0.121 56.342 56.400 -0.298 0.000 0.876 144 E CB 0.014 29.530 29.700 -0.307 0.000 0.843 144 E HN 0.319 nan 8.360 nan 0.000 0.530 145 I N 1.025 121.565 120.570 -0.051 0.000 2.361 145 I HA -0.244 3.926 4.170 -0.001 0.000 0.251 145 I C 1.946 178.076 176.117 0.021 0.000 1.133 145 I CA 1.583 62.880 61.300 -0.006 0.000 1.413 145 I CB -0.365 37.645 38.000 0.016 0.000 1.073 145 I HN -0.034 nan 8.210 nan 0.000 0.424 146 T N 0.835 115.413 114.554 0.040 0.000 2.684 146 T HA -0.213 4.136 4.350 -0.001 0.000 0.267 146 T C 1.397 176.127 174.700 0.050 0.000 1.036 146 T CA 1.963 64.100 62.100 0.062 0.000 1.148 146 T CB -0.518 68.400 68.868 0.083 0.000 0.863 146 T HN 0.710 nan 8.240 nan 0.000 0.436 147 D N 0.789 121.211 120.400 0.036 0.000 2.234 147 D HA 0.002 4.641 4.640 -0.001 0.000 0.205 147 D C 1.999 178.305 176.300 0.010 0.000 0.962 147 D CA 0.514 54.531 54.000 0.029 0.000 0.855 147 D CB -0.648 40.172 40.800 0.033 0.000 0.951 147 D HN 0.330 nan 8.370 nan 0.000 0.500 148 L N 0.284 121.518 121.223 0.019 0.000 2.093 148 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 148 L C 2.435 179.295 176.870 -0.016 0.000 1.085 148 L CA 0.618 55.490 54.840 0.054 0.000 0.755 148 L CB -0.297 41.801 42.059 0.065 0.000 0.904 148 L HN 0.069 nan 8.230 nan 0.000 0.435 149 V N -0.272 119.622 119.914 -0.033 0.000 2.427 149 V HA -0.252 3.868 4.120 -0.001 0.000 0.248 149 V C 2.071 178.052 176.094 -0.189 0.000 1.051 149 V CA 1.702 63.945 62.300 -0.095 0.000 1.048 149 V CB -0.466 31.324 31.823 -0.056 0.000 0.666 149 V HN 0.408 nan 8.190 nan 0.000 0.456 150 D N 0.107 120.449 120.400 -0.097 0.000 2.097 150 D HA -0.121 4.518 4.640 -0.001 0.000 0.195 150 D C 2.441 178.642 176.300 -0.165 0.000 0.989 150 D CA 1.712 55.675 54.000 -0.063 0.000 0.827 150 D CB -0.301 40.529 40.800 0.050 0.000 0.966 150 D HN 0.345 nan 8.370 nan 0.000 0.456 151 S N 0.218 115.778 115.700 -0.233 0.000 2.402 151 S HA -0.080 4.389 4.470 -0.001 0.000 0.229 151 S C 2.011 176.108 174.600 -0.839 0.000 1.021 151 S CA 0.909 58.849 58.200 -0.433 0.000 0.974 151 S CB -0.085 62.897 63.200 -0.364 0.000 0.800 151 S HN 0.356 nan 8.310 nan 0.000 0.484 152 A N 1.060 123.406 122.820 -0.789 0.000 1.898 152 A HA -0.000 4.319 4.320 -0.001 0.000 0.216 152 A C 2.302 179.704 177.584 -0.303 0.000 1.181 152 A CA 1.235 52.911 52.037 -0.601 0.000 0.620 152 A CB -0.833 18.045 19.000 -0.203 0.000 0.819 152 A HN 0.332 nan 8.150 nan 0.000 0.442 153 V N 1.085 120.835 119.914 -0.272 0.000 2.343 153 V HA -0.272 3.847 4.120 -0.001 0.000 0.247 153 V C 2.356 178.381 176.094 -0.114 0.000 1.051 153 V CA 2.177 64.363 62.300 -0.191 0.000 1.036 153 V CB -1.003 30.637 31.823 -0.305 0.000 0.654 153 V HN 0.540 nan 8.190 nan 0.000 0.451 154 N N 0.556 119.174 118.700 -0.136 0.000 2.069 154 N HA -0.138 4.602 4.740 -0.001 0.000 0.191 154 N C 1.820 177.284 175.510 -0.077 0.000 1.031 154 N CA 1.853 54.852 53.050 -0.085 0.000 0.852 154 N CB -0.482 37.947 38.487 -0.095 0.000 1.018 154 N HN 0.504 nan 8.380 nan 0.000 0.423 155 A N 0.553 123.298 122.820 -0.125 0.000 1.970 155 A HA 0.345 4.665 4.320 -0.001 0.000 0.216 155 A C 1.366 178.944 177.584 -0.011 0.000 1.170 155 A CA 0.829 52.838 52.037 -0.048 0.000 0.645 155 A CB -0.564 18.425 19.000 -0.017 0.000 0.816 155 A HN 0.352 nan 8.150 nan 0.000 0.447 159 E N 3.307 123.510 120.200 0.005 0.000 2.373 159 E HA 0.259 4.608 4.350 -0.001 0.000 0.267 159 E C -2.208 174.396 176.600 0.007 0.000 1.032 159 E CA -1.716 54.687 56.400 0.005 0.000 0.889 159 E CB 0.599 30.297 29.700 -0.004 0.000 0.984 159 E HN 0.270 nan 8.360 nan 0.000 0.425 160 P HA 0.022 nan 4.420 nan 0.000 0.282 160 P C 0.061 177.370 177.300 0.014 0.000 1.262 160 P CA -0.336 62.771 63.100 0.011 0.000 0.773 160 P CB 0.580 32.288 31.700 0.012 0.000 0.879 161 V N 1.593 121.515 119.914 0.013 0.000 3.096 161 V HA 0.796 4.915 4.120 -0.001 0.000 0.306 161 V C 0.494 176.597 176.094 0.015 0.000 1.088 161 V CA 0.394 62.703 62.300 0.015 0.000 1.129 161 V CB 0.166 31.998 31.823 0.016 0.000 1.014 161 V HN 0.878 nan 8.190 nan 0.000 0.486 162 G N 2.477 111.289 108.800 0.019 0.000 2.441 162 G HA2 0.588 4.547 3.960 -0.001 0.000 0.294 162 G HA3 0.588 4.547 3.960 -0.001 0.000 0.294 162 G C -3.518 171.404 174.900 0.035 0.000 1.393 162 G CA -0.557 44.557 45.100 0.025 0.000 0.796 162 G HN 0.756 nan 8.290 nan 0.000 0.494 163 P HA 0.490 nan 4.420 nan 0.000 0.282 163 P C -0.616 176.749 177.300 0.109 0.000 1.249 163 P CA -0.192 62.948 63.100 0.067 0.000 0.806 163 P CB 1.832 33.570 31.700 0.063 0.000 0.984 164 S N 1.676 117.458 115.700 0.136 0.000 2.532 164 S HA 0.653 5.122 4.470 -0.001 0.000 0.301 164 S C -0.956 173.806 174.600 0.270 0.000 1.083 164 S CA -0.337 58.000 58.200 0.229 0.000 1.025 164 S CB 0.758 64.066 63.200 0.180 0.000 1.056 164 S HN 0.463 nan 8.310 nan 0.000 0.494 165 F N 2.661 122.686 119.950 0.125 0.000 2.540 165 F HA 0.731 5.258 4.527 -0.001 0.000 0.317 165 F C -1.449 174.364 175.800 0.022 0.000 1.104 165 F CA -0.986 57.033 58.000 0.032 0.000 0.913 165 F CB 0.759 39.746 39.000 -0.021 0.000 1.170 165 F HN 0.449 nan 8.300 nan 0.000 0.450 166 I N 4.615 124.642 120.570 -0.904 0.000 2.478 166 I HA 0.275 4.444 4.170 -0.001 0.000 0.287 166 I C -0.724 174.741 176.117 -1.087 0.000 1.042 166 I CA -0.772 60.077 61.300 -0.752 0.000 1.067 166 I CB 2.030 39.848 38.000 -0.303 0.000 1.233 166 I HN 0.561 nan 8.210 nan 0.000 0.431 167 S N 7.044 122.244 115.700 -0.834 0.000 2.508 167 S HA 0.723 5.193 4.470 -0.001 0.000 0.284 167 S C -0.733 173.695 174.600 -0.287 0.000 1.192 167 S CA -0.445 57.449 58.200 -0.511 0.000 1.070 167 S CB 0.615 63.693 63.200 -0.204 0.000 1.004 167 S HN 0.499 nan 8.310 nan 0.000 0.493 168 L N 6.015 127.103 121.223 -0.224 0.000 2.454 168 L HA 0.397 4.737 4.340 -0.001 0.000 0.258 168 L C -2.500 174.324 176.870 -0.077 0.000 1.025 168 L CA -1.979 52.778 54.840 -0.138 0.000 0.901 168 L CB 1.755 43.734 42.059 -0.134 0.000 1.210 168 L HN 0.460 nan 8.230 nan 0.000 0.457 169 P HA -0.032 nan 4.420 nan 0.000 0.262 169 P C 1.206 178.496 177.300 -0.016 0.000 1.182 169 P CA 0.092 63.162 63.100 -0.051 0.000 0.761 169 P CB 1.077 32.739 31.700 -0.062 0.000 0.795 170 V N 3.508 123.420 119.914 -0.002 0.000 2.324 170 V HA -0.273 3.847 4.120 -0.001 0.000 0.250 170 V C 2.030 178.142 176.094 0.030 0.000 1.060 170 V CA 2.526 64.844 62.300 0.029 0.000 1.042 170 V CB -1.018 30.826 31.823 0.035 0.000 0.650 170 V HN 0.686 nan 8.190 nan 0.000 0.450 171 D N 0.071 120.487 120.400 0.026 0.000 2.117 171 D HA -0.190 4.449 4.640 -0.001 0.000 0.198 171 D C 1.994 178.313 176.300 0.032 0.000 0.982 171 D CA 1.431 55.456 54.000 0.043 0.000 0.828 171 D CB -0.498 40.350 40.800 0.079 0.000 0.967 171 D HN 0.450 nan 8.370 nan 0.000 0.464 172 L N -0.449 120.785 121.223 0.019 0.000 2.156 172 L HA -0.047 4.293 4.340 -0.001 0.000 0.208 172 L C 2.627 179.508 176.870 0.018 0.000 1.095 172 L CA 0.247 55.095 54.840 0.014 0.000 0.770 172 L CB -0.405 41.652 42.059 -0.003 0.000 0.914 172 L HN 0.042 nan 8.230 nan 0.000 0.439 173 L N 0.516 121.753 121.223 0.023 0.000 2.079 173 L HA -0.088 4.252 4.340 -0.001 0.000 0.210 173 L C 1.990 178.875 176.870 0.024 0.000 1.081 173 L CA 1.924 56.787 54.840 0.039 0.000 0.752 173 L CB -0.804 41.299 42.059 0.072 0.000 0.896 173 L HN 0.135 nan 8.230 nan 0.000 0.433 174 G N -1.661 107.150 108.800 0.018 0.000 3.284 174 G HA2 0.112 4.071 3.960 -0.001 0.000 0.236 174 G HA3 0.112 4.071 3.960 -0.001 0.000 0.236 174 G C 0.340 175.247 174.900 0.011 0.000 1.158 174 G CA 0.494 45.598 45.100 0.007 0.000 0.774 174 G HN 0.368 nan 8.290 nan 0.000 0.545 175 S N -0.209 115.501 115.700 0.017 0.000 2.565 175 S HA 0.473 4.942 4.470 -0.001 0.000 0.290 175 S C 1.287 175.899 174.600 0.019 0.000 1.150 175 S CA 0.213 58.424 58.200 0.019 0.000 1.058 175 S CB 1.649 64.864 63.200 0.024 0.000 1.032 175 S HN 0.286 nan 8.310 nan 0.000 0.510 176 S N 1.159 116.868 115.700 0.014 0.000 2.539 176 S HA 0.311 4.781 4.470 -0.001 0.000 0.221 176 S C 0.581 175.192 174.600 0.018 0.000 0.987 176 S CA 0.314 58.520 58.200 0.011 0.000 0.929 176 S CB -0.607 62.590 63.200 -0.004 0.000 0.832 176 S HN 1.051 nan 8.310 nan 0.000 0.492 177 E N 1.304 121.520 120.200 0.027 0.000 2.606 177 E HA 0.408 4.757 4.350 -0.001 0.000 0.248 177 E C 1.213 177.849 176.600 0.060 0.000 1.005 177 E CA 0.174 56.595 56.400 0.034 0.000 0.946 177 E CB -1.469 28.253 29.700 0.037 0.000 0.928 177 E HN 1.505 nan 8.360 nan 0.000 0.494 178 G N 1.924 110.742 108.800 0.030 0.000 2.159 178 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.256 178 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.256 178 G C 0.412 175.302 174.900 -0.017 0.000 0.977 178 G CA 0.199 45.301 45.100 0.003 0.000 0.652 178 G HN 0.856 nan 8.290 nan 0.000 0.531 179 I N 1.911 122.490 120.570 0.015 0.000 2.297 179 I HA 0.504 4.674 4.170 -0.001 0.000 0.291 179 I C 0.456 176.555 176.117 -0.029 0.000 1.033 179 I CA 0.386 61.693 61.300 0.011 0.000 1.253 179 I CB 0.749 38.762 38.000 0.022 0.000 1.396 179 I HN 0.277 nan 8.210 nan 0.000 0.476 180 D N 4.313 124.688 120.400 -0.041 0.000 2.278 180 D HA 0.763 5.402 4.640 -0.001 0.000 0.245 180 D C 0.127 176.399 176.300 -0.046 0.000 1.052 180 D CA -0.021 53.951 54.000 -0.047 0.000 0.834 180 D CB 1.991 42.759 40.800 -0.054 0.000 1.194 180 D HN 0.734 nan 8.370 nan 0.000 0.481 186 P HA 0.516 nan 4.420 nan 0.000 0.272 186 P C -2.656 174.644 177.300 0.001 0.000 1.230 186 P CA -0.690 62.418 63.100 0.014 0.000 0.788 186 P CB -0.491 31.222 31.700 0.022 0.000 0.949 187 P HA 0.110 nan 4.420 nan 0.000 0.269 187 P C 0.404 177.666 177.300 -0.062 0.000 1.209 187 P CA -0.148 62.932 63.100 -0.034 0.000 0.776 187 P CB 0.410 32.094 31.700 -0.026 0.000 0.876 188 A N 2.603 125.342 122.820 -0.135 0.000 1.930 188 A HA -0.085 4.235 4.320 -0.001 0.000 0.215 188 A C 0.731 178.181 177.584 -0.223 0.000 1.176 188 A CA 0.779 52.639 52.037 -0.294 0.000 0.632 188 A CB -0.956 17.687 19.000 -0.595 0.000 0.819 188 A HN 0.638 nan 8.150 nan 0.000 0.445 189 N N -0.055 118.562 118.700 -0.138 0.000 2.735 189 N HA -0.116 4.623 4.740 -0.001 0.000 0.248 189 N C -0.502 174.985 175.510 -0.038 0.000 1.083 189 N CA 1.312 54.325 53.050 -0.063 0.000 0.703 189 N CB -2.317 36.156 38.487 -0.022 0.000 1.005 189 N HN 0.484 nan 8.380 nan 0.000 0.550 190 T N 1.980 116.488 114.554 -0.076 0.000 2.831 190 T HA 0.198 4.547 4.350 -0.001 0.000 0.291 190 T C -1.757 172.964 174.700 0.035 0.000 0.981 190 T CA -0.497 61.622 62.100 0.032 0.000 1.174 190 T CB 0.516 69.411 68.868 0.045 0.000 0.929 190 T HN 0.061 nan 8.240 nan 0.000 0.532 191 P HA 0.251 nan 4.420 nan 0.000 0.267 191 P C 0.449 177.770 177.300 0.035 0.000 1.205 191 P CA -0.300 62.820 63.100 0.034 0.000 0.765 191 P CB 0.518 32.238 31.700 0.033 0.000 0.828 192 A N 3.984 126.820 122.820 0.027 0.000 1.968 192 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 192 A C 0.883 178.487 177.584 0.032 0.000 1.169 192 A CA 1.288 53.342 52.037 0.029 0.000 0.638 192 A CB -0.467 18.547 19.000 0.023 0.000 0.812 192 A HN 0.661 nan 8.150 nan 0.000 0.446 193 K N -1.066 119.351 120.400 0.029 0.000 2.480 193 K HA 0.610 4.929 4.320 -0.001 0.000 0.258 193 K C -3.391 173.223 176.600 0.024 0.000 0.990 193 K CA -2.136 54.169 56.287 0.030 0.000 0.857 193 K CB 0.987 33.503 32.500 0.027 0.000 1.384 193 K HN -0.205 nan 8.250 nan 0.000 0.446 194 P HA 0.009 nan 4.420 nan 0.000 0.266 194 P C -0.663 176.641 177.300 0.007 0.000 1.195 194 P CA -0.480 62.630 63.100 0.017 0.000 0.768 194 P CB 0.579 32.289 31.700 0.017 0.000 0.838 195 V N 2.813 122.730 119.914 0.006 0.000 2.715 195 V HA 0.458 4.578 4.120 -0.001 0.000 0.299 195 V C 1.098 177.187 176.094 -0.009 0.000 1.054 195 V CA 0.630 62.930 62.300 -0.000 0.000 1.077 195 V CB 0.678 32.503 31.823 0.004 0.000 0.972 195 V HN 0.814 nan 8.190 nan 0.000 0.484 196 G N 2.777 111.565 108.800 -0.020 0.000 2.630 196 G HA2 0.622 4.581 3.960 -0.001 0.000 0.296 196 G HA3 0.622 4.581 3.960 -0.001 0.000 0.296 196 G C -1.104 173.774 174.900 -0.037 0.000 1.285 196 G CA -0.663 44.416 45.100 -0.035 0.000 0.958 196 G HN 0.562 nan 8.290 nan 0.000 0.479 197 V N 0.042 119.931 119.914 -0.043 0.000 2.546 197 V HA 0.485 4.604 4.120 -0.001 0.000 0.284 197 V C -0.143 175.909 176.094 -0.071 0.000 1.050 197 V CA -0.441 61.836 62.300 -0.038 0.000 0.981 197 V CB 1.217 33.025 31.823 -0.025 0.000 0.990 197 V HN 0.451 nan 8.190 nan 0.000 0.474 198 V N 3.747 123.633 119.914 -0.047 0.000 2.525 198 V HA 0.661 4.781 4.120 -0.001 0.000 0.299 198 V C 0.286 176.404 176.094 0.040 0.000 1.034 198 V CA -0.674 61.590 62.300 -0.060 0.000 0.863 198 V CB 1.717 33.508 31.823 -0.055 0.000 0.999 198 V HN 1.020 nan 8.190 nan 0.000 0.423 199 A N 2.982 125.847 122.820 0.075 0.000 2.363 199 A HA 0.488 4.808 4.320 -0.001 0.000 0.270 199 A C 0.079 177.790 177.584 0.211 0.000 1.121 199 A CA -0.215 51.894 52.037 0.120 0.000 0.800 199 A CB 0.210 19.269 19.000 0.098 0.000 1.052 199 A HN 0.960 nan 8.150 nan 0.000 0.493 200 D N 1.638 122.118 120.400 0.134 0.000 2.525 200 D HA 0.337 4.976 4.640 -0.001 0.000 0.235 200 D C 1.358 177.704 176.300 0.077 0.000 1.137 200 D CA 2.017 56.078 54.000 0.103 0.000 0.868 200 D CB 0.224 41.057 40.800 0.054 0.000 1.180 200 D HN 1.276 nan 8.370 nan 0.000 0.465 201 G N 3.610 112.415 108.800 0.008 0.000 2.136 201 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.242 201 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.242 201 G C 1.010 175.895 174.900 -0.025 0.000 0.989 201 G CA 0.475 45.546 45.100 -0.048 0.000 0.682 201 G HN 0.716 nan 8.290 nan 0.000 0.522 202 W N 0.049 121.327 121.300 -0.036 0.000 2.402 202 W HA -0.053 4.606 4.660 -0.001 0.000 0.286 202 W C 1.475 177.948 176.519 -0.077 0.000 1.221 202 W CA 1.322 58.642 57.345 -0.042 0.000 1.257 202 W CB -0.640 28.799 29.460 -0.034 0.000 1.120 202 W HN 0.390 nan 8.180 nan 0.000 0.551 203 Q N 1.525 120.747 119.800 -0.965 0.000 2.084 203 Q HA -0.199 4.141 4.340 -0.001 0.000 0.202 203 Q C 2.357 178.122 176.000 -0.393 0.000 0.978 203 Q CA 2.672 57.792 55.803 -1.137 0.000 0.844 203 Q CB -0.581 27.487 28.738 -1.117 0.000 0.898 203 Q HN 0.349 nan 8.270 nan 0.000 0.426 204 K N 0.146 120.416 120.400 -0.217 0.000 2.057 204 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 204 K C 1.977 178.592 176.600 0.026 0.000 1.049 204 K CA 1.216 57.468 56.287 -0.057 0.000 0.931 204 K CB -0.183 32.289 32.500 -0.048 0.000 0.714 204 K HN 0.207 nan 8.250 nan 0.000 0.440 205 A N 1.081 123.928 122.820 0.045 0.000 1.898 205 A HA -0.061 4.259 4.320 -0.001 0.000 0.216 205 A C 2.331 180.026 177.584 0.185 0.000 1.181 205 A CA 1.713 53.810 52.037 0.100 0.000 0.620 205 A CB -0.764 18.296 19.000 0.100 0.000 0.819 205 A HN 0.488 nan 8.150 nan 0.000 0.442 206 A N -0.000 122.975 122.820 0.259 0.000 1.972 206 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 206 A C 1.709 179.577 177.584 0.473 0.000 1.169 206 A CA 1.872 54.202 52.037 0.488 0.000 0.635 206 A CB -0.477 18.860 19.000 0.561 0.000 0.810 206 A HN 0.476 nan 8.150 nan 0.000 0.446 207 D N -0.471 120.109 120.400 0.299 0.000 2.149 207 D HA -0.100 4.540 4.640 -0.001 0.000 0.201 207 D C 2.151 178.573 176.300 0.204 0.000 0.972 207 D CA 1.215 55.357 54.000 0.237 0.000 0.835 207 D CB -0.410 40.484 40.800 0.156 0.000 0.966 207 D HN 0.626 nan 8.370 nan 0.000 0.476 208 Q N 0.516 120.420 119.800 0.173 0.000 2.170 208 Q HA -0.048 4.291 4.340 -0.001 0.000 0.203 208 Q C 2.164 178.283 176.000 0.198 0.000 0.976 208 Q CA 1.343 57.233 55.803 0.146 0.000 0.858 208 Q CB -0.072 28.725 28.738 0.099 0.000 0.907 208 Q HN 0.204 nan 8.270 nan 0.000 0.433 209 A N 1.108 124.096 122.820 0.280 0.000 1.898 209 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 209 A C 2.311 180.202 177.584 0.512 0.000 1.181 209 A CA 1.432 53.684 52.037 0.359 0.000 0.620 209 A CB -0.751 18.485 19.000 0.394 0.000 0.819 209 A HN 0.387 nan 8.150 nan 0.000 0.442 210 A N -0.022 123.119 122.820 0.534 0.000 1.902 210 A HA 0.132 4.451 4.320 -0.001 0.000 0.217 210 A C 2.481 180.270 177.584 0.342 0.000 1.181 210 A CA 2.101 54.319 52.037 0.301 0.000 0.623 210 A CB -0.976 18.022 19.000 -0.004 0.000 0.818 210 A HN 1.062 nan 8.150 nan 0.000 0.443 211 A N -0.360 122.608 122.820 0.245 0.000 1.972 211 A HA 0.000 4.319 4.320 -0.001 0.000 0.219 211 A C 2.129 179.780 177.584 0.112 0.000 1.169 211 A CA 1.410 53.539 52.037 0.153 0.000 0.635 211 A CB -0.525 18.538 19.000 0.106 0.000 0.810 211 A HN 0.483 nan 8.150 nan 0.000 0.446 212 L N -1.141 120.171 121.223 0.148 0.000 2.093 212 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 212 L C 2.490 179.434 176.870 0.124 0.000 1.085 212 L CA 0.828 55.736 54.840 0.113 0.000 0.755 212 L CB -0.505 41.623 42.059 0.114 0.000 0.904 212 L HN 0.438 nan 8.230 nan 0.000 0.435 213 L N 0.448 121.803 121.223 0.220 0.000 2.083 213 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 213 L C 2.628 179.555 176.870 0.094 0.000 1.083 213 L CA 1.907 56.889 54.840 0.237 0.000 0.752 213 L CB -0.715 41.596 42.059 0.419 0.000 0.899 213 L HN 0.134 nan 8.230 nan 0.000 0.433 214 A N -0.857 121.940 122.820 -0.039 0.000 1.902 214 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 214 A C 2.134 179.584 177.584 -0.224 0.000 1.181 214 A CA 1.715 53.493 52.037 -0.431 0.000 0.623 214 A CB -0.502 18.140 19.000 -0.597 0.000 0.818 214 A HN 0.504 nan 8.150 nan 0.000 0.443 215 E N 0.136 120.274 120.200 -0.103 0.000 2.158 215 E HA 0.132 4.482 4.350 -0.001 0.000 0.191 215 E C 1.106 177.686 176.600 -0.034 0.000 0.982 215 E CA 0.712 57.074 56.400 -0.062 0.000 0.823 215 E CB -0.663 29.022 29.700 -0.026 0.000 0.766 215 E HN 0.540 nan 8.360 nan 0.000 0.468 216 A N 1.673 124.488 122.820 -0.008 0.000 2.425 216 A HA 0.086 4.406 4.320 -0.001 0.000 0.249 216 A C 1.086 178.658 177.584 -0.021 0.000 1.084 216 A CA -0.062 51.983 52.037 0.014 0.000 0.781 216 A CB 0.489 19.515 19.000 0.044 0.000 1.019 216 A HN -0.042 nan 8.150 nan 0.000 0.490 217 K N 0.708 121.099 120.400 -0.015 0.000 2.202 217 K HA 0.053 4.372 4.320 -0.001 0.000 0.201 217 K C -0.284 176.076 176.600 -0.400 0.000 1.051 217 K CA 0.780 56.967 56.287 -0.166 0.000 0.977 217 K CB 0.204 32.659 32.500 -0.075 0.000 0.792 217 K HN 0.826 nan 8.250 nan 0.000 0.469 218 H N 1.427 120.507 119.070 0.018 0.000 2.448 218 H HA 0.245 4.801 4.556 -0.001 0.000 0.237 218 H C -2.576 172.743 175.328 -0.014 0.000 1.391 218 H CA -1.799 54.259 56.048 0.015 0.000 1.477 218 H CB 1.165 30.916 29.762 -0.017 0.000 1.520 218 H HN 0.078 nan 8.280 nan 0.000 0.502 219 P HA 0.144 nan 4.420 nan 0.000 0.276 219 P C 0.071 177.398 177.300 0.044 0.000 1.244 219 P CA -0.448 62.687 63.100 0.058 0.000 0.801 219 P CB 2.199 33.945 31.700 0.077 0.000 1.006 220 V N -1.032 118.895 119.914 0.022 0.000 3.007 220 V HA 0.568 4.688 4.120 -0.001 0.000 0.311 220 V C -0.692 175.397 176.094 -0.009 0.000 1.120 220 V CA -1.171 61.135 62.300 0.010 0.000 0.980 220 V CB 1.807 33.667 31.823 0.061 0.000 1.033 220 V HN 0.261 nan 8.190 nan 0.000 0.429 221 L N 3.128 124.342 121.223 -0.014 0.000 2.272 221 L HA 0.646 4.986 4.340 -0.001 0.000 0.289 221 L C -0.596 176.273 176.870 -0.001 0.000 1.032 221 L CA -0.706 54.125 54.840 -0.015 0.000 0.810 221 L CB 1.759 43.816 42.059 -0.003 0.000 1.205 221 L HN 0.549 nan 8.230 nan 0.000 0.422 222 V N 4.946 124.854 119.914 -0.011 0.000 2.334 222 V HA 0.321 4.440 4.120 -0.001 0.000 0.281 222 V C 0.041 176.163 176.094 0.046 0.000 1.016 222 V CA -0.543 61.782 62.300 0.041 0.000 0.832 222 V CB 1.840 33.674 31.823 0.019 0.000 0.999 222 V HN 0.412 nan 8.190 nan 0.000 0.439 223 V N 4.492 124.439 119.914 0.055 0.000 2.435 223 V HA 0.797 4.917 4.120 -0.001 0.000 0.290 223 V C 0.785 176.909 176.094 0.051 0.000 1.030 223 V CA -0.142 62.182 62.300 0.041 0.000 0.881 223 V CB 1.616 33.450 31.823 0.019 0.000 0.983 223 V HN 0.881 nan 8.190 nan 0.000 0.445 224 G N 2.103 110.928 108.800 0.042 0.000 2.597 224 G HA2 0.572 4.531 3.960 -0.001 0.000 0.317 224 G HA3 0.572 4.531 3.960 -0.001 0.000 0.317 224 G C 0.869 175.790 174.900 0.035 0.000 1.230 224 G CA -0.007 45.110 45.100 0.028 0.000 0.996 224 G HN 0.898 nan 8.290 nan 0.000 0.490 225 A N -0.185 122.674 122.820 0.064 0.000 1.978 225 A HA 0.132 4.451 4.320 -0.001 0.000 0.220 225 A C 2.661 180.308 177.584 0.106 0.000 1.170 225 A CA 2.520 54.639 52.037 0.136 0.000 0.636 225 A CB -0.772 18.365 19.000 0.230 0.000 0.810 225 A HN 1.411 nan 8.150 nan 0.000 0.448 226 A N -0.197 122.658 122.820 0.058 0.000 2.024 226 A HA 0.112 4.431 4.320 -0.001 0.000 0.220 226 A C 2.412 180.014 177.584 0.030 0.000 1.164 226 A CA 2.006 54.069 52.037 0.042 0.000 0.643 226 A CB -0.821 18.189 19.000 0.016 0.000 0.806 226 A HN 1.064 nan 8.150 nan 0.000 0.451 227 A N -0.045 122.787 122.820 0.020 0.000 1.930 227 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 227 A C 2.067 179.649 177.584 -0.003 0.000 1.175 227 A CA 1.373 53.415 52.037 0.009 0.000 0.627 227 A CB -0.529 18.475 19.000 0.007 0.000 0.815 227 A HN 0.514 nan 8.150 nan 0.000 0.443 228 I N -0.881 119.676 120.570 -0.021 0.000 2.179 228 I HA -0.261 3.908 4.170 -0.001 0.000 0.242 228 I C 2.726 178.856 176.117 0.021 0.000 1.088 228 I CA 1.292 62.552 61.300 -0.067 0.000 1.357 228 I CB -0.388 37.462 38.000 -0.250 0.000 1.051 228 I HN 0.263 nan 8.210 nan 0.000 0.409 229 R N 0.069 120.620 120.500 0.086 0.000 2.105 229 R HA -0.148 4.191 4.340 -0.001 0.000 0.239 229 R C 2.440 178.772 176.300 0.053 0.000 1.135 229 R CA 1.541 57.700 56.100 0.097 0.000 0.967 229 R CB -0.445 29.912 30.300 0.094 0.000 0.861 229 R HN 0.238 nan 8.270 nan 0.000 0.442 230 S N -0.637 115.082 115.700 0.032 0.000 2.515 230 S HA -0.012 4.457 4.470 -0.001 0.000 0.231 230 S C 1.104 175.715 174.600 0.017 0.000 0.987 230 S CA 0.920 59.130 58.200 0.017 0.000 0.936 230 S CB -0.028 63.175 63.200 0.006 0.000 0.766 230 S HN 0.656 nan 8.310 nan 0.000 0.528 231 G N 0.080 108.890 108.800 0.017 0.000 2.149 231 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.235 231 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.235 231 G C 0.424 175.329 174.900 0.008 0.000 1.018 231 G CA 0.194 45.301 45.100 0.012 0.000 0.728 231 G HN 0.903 nan 8.290 nan 0.000 0.508 232 A N -0.798 122.025 122.820 0.005 0.000 2.387 232 A HA 0.654 4.973 4.320 -0.001 0.000 0.234 232 A C 2.137 179.723 177.584 0.002 0.000 1.253 232 A CA 1.311 53.355 52.037 0.011 0.000 0.894 232 A CB 0.169 19.185 19.000 0.025 0.000 0.963 232 A HN 0.908 nan 8.150 nan 0.000 0.508 233 V N 1.119 121.024 119.914 -0.015 0.000 2.237 233 V HA -0.159 3.960 4.120 -0.001 0.000 0.245 233 V C -0.090 175.998 176.094 -0.009 0.000 1.046 233 V CA 2.644 64.929 62.300 -0.025 0.000 1.007 233 V CB -1.400 30.392 31.823 -0.051 0.000 0.638 233 V HN 0.380 nan 8.190 nan 0.000 0.445 234 P HA -0.146 nan 4.420 nan 0.000 0.216 234 P C 1.633 178.941 177.300 0.012 0.000 1.150 234 P CA 2.031 65.136 63.100 0.008 0.000 0.837 234 P CB -0.159 31.547 31.700 0.010 0.000 0.786 235 A N -0.869 121.959 122.820 0.012 0.000 1.898 235 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 235 A C 2.209 179.804 177.584 0.020 0.000 1.181 235 A CA 1.276 53.322 52.037 0.015 0.000 0.620 235 A CB -1.557 17.454 19.000 0.017 0.000 0.819 235 A HN 0.106 nan 8.150 nan 0.000 0.442 236 I N -0.839 119.743 120.570 0.019 0.000 2.226 236 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 236 I C 2.685 178.807 176.117 0.010 0.000 1.100 236 I CA 1.671 62.985 61.300 0.023 0.000 1.374 236 I CB -0.243 37.767 38.000 0.017 0.000 1.057 236 I HN 0.388 nan 8.210 nan 0.000 0.413 237 R N 1.259 121.758 120.500 -0.001 0.000 2.081 237 R HA -0.173 4.167 4.340 -0.001 0.000 0.235 237 R C 2.311 178.625 176.300 0.023 0.000 1.131 237 R CA 1.617 57.712 56.100 -0.008 0.000 0.960 237 R CB -0.246 30.055 30.300 0.002 0.000 0.856 237 R HN 0.342 nan 8.270 nan 0.000 0.436 238 A N 1.068 123.905 122.820 0.028 0.000 1.930 238 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 238 A C 2.012 179.611 177.584 0.026 0.000 1.175 238 A CA 1.033 53.088 52.037 0.030 0.000 0.627 238 A CB -0.513 18.498 19.000 0.020 0.000 0.815 238 A HN 0.393 nan 8.150 nan 0.000 0.443 239 L N -0.080 121.159 121.223 0.027 0.000 1.994 239 L HA -0.075 4.265 4.340 -0.001 0.000 0.208 239 L C 2.666 179.563 176.870 0.046 0.000 1.071 239 L CA 2.345 57.209 54.840 0.040 0.000 0.745 239 L CB -0.857 41.247 42.059 0.076 0.000 0.892 239 L HN 0.325 nan 8.230 nan 0.000 0.431 240 A N -0.930 121.911 122.820 0.035 0.000 1.902 240 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 240 A C 2.185 179.789 177.584 0.032 0.000 1.181 240 A CA 1.817 53.866 52.037 0.020 0.000 0.623 240 A CB -0.678 18.304 19.000 -0.030 0.000 0.818 240 A HN 0.614 nan 8.150 nan 0.000 0.443 241 E N -0.942 119.288 120.200 0.051 0.000 2.077 241 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 241 E C 2.309 178.945 176.600 0.059 0.000 0.989 241 E CA 1.197 57.650 56.400 0.088 0.000 0.800 241 E CB -0.138 29.632 29.700 0.116 0.000 0.746 241 E HN 0.618 nan 8.360 nan 0.000 0.452 242 R N 0.648 121.172 120.500 0.040 0.000 2.075 242 R HA -0.059 4.280 4.340 -0.001 0.000 0.232 242 R C 1.752 178.070 176.300 0.031 0.000 1.126 242 R CA 1.004 57.120 56.100 0.026 0.000 0.963 242 R CB 0.047 30.350 30.300 0.006 0.000 0.858 242 R HN 0.152 nan 8.270 nan 0.000 0.435 243 L N 0.715 121.961 121.223 0.038 0.000 2.628 243 L HA 0.145 4.484 4.340 -0.001 0.000 0.229 243 L C 0.089 176.988 176.870 0.048 0.000 1.137 243 L CA -0.221 54.650 54.840 0.051 0.000 0.909 243 L CB -0.021 42.080 42.059 0.070 0.000 1.137 243 L HN 0.313 nan 8.230 nan 0.000 0.470 244 N N 1.450 120.176 118.700 0.043 0.000 2.738 244 N HA -0.216 4.523 4.740 -0.001 0.000 0.249 244 N C -0.646 174.873 175.510 0.016 0.000 1.047 244 N CA 0.496 53.569 53.050 0.039 0.000 0.707 244 N CB -1.183 37.328 38.487 0.040 0.000 0.937 244 N HN 0.343 nan 8.380 nan 0.000 0.545 245 I N 0.468 121.039 120.570 0.002 0.000 2.339 245 I HA 0.365 4.535 4.170 -0.001 0.000 0.290 245 I C -1.913 174.133 176.117 -0.119 0.000 0.994 245 I CA -2.126 59.158 61.300 -0.027 0.000 1.191 245 I CB 1.566 39.581 38.000 0.024 0.000 1.343 245 I HN -0.014 nan 8.210 nan 0.000 0.458 246 P HA 0.050 nan 4.420 nan 0.000 0.269 246 P C -0.767 176.366 177.300 -0.278 0.000 1.209 246 P CA -0.099 62.679 63.100 -0.538 0.000 0.776 246 P CB 0.636 31.616 31.700 -1.201 0.000 0.876 247 V N 5.084 124.875 119.914 -0.205 0.000 2.384 247 V HA 0.366 4.486 4.120 -0.001 0.000 0.287 247 V C 0.372 176.461 176.094 -0.009 0.000 1.020 247 V CA -0.308 61.942 62.300 -0.083 0.000 0.850 247 V CB 0.914 32.688 31.823 -0.081 0.000 0.987 247 V HN 0.398 nan 8.190 nan 0.000 0.436 248 I N 4.501 125.090 120.570 0.033 0.000 2.493 248 I HA 0.619 4.789 4.170 -0.001 0.000 0.298 248 I C 0.414 176.592 176.117 0.101 0.000 0.998 248 I CA -0.201 61.154 61.300 0.092 0.000 1.137 248 I CB 2.459 40.538 38.000 0.133 0.000 1.310 248 I HN 0.751 nan 8.210 nan 0.000 0.445 249 T N 0.288 114.909 114.554 0.111 0.000 2.930 249 T HA 0.562 4.912 4.350 -0.001 0.000 0.290 249 T C 0.109 174.894 174.700 0.142 0.000 1.052 249 T CA -0.710 61.456 62.100 0.110 0.000 1.017 249 T CB 1.690 70.614 68.868 0.093 0.000 1.137 249 T HN 0.656 nan 8.240 nan 0.000 0.511 250 T N -0.173 114.449 114.554 0.113 0.000 2.689 250 T HA 0.212 4.561 4.350 -0.001 0.000 0.308 250 T C 0.898 175.722 174.700 0.207 0.000 1.021 250 T CA -0.408 61.737 62.100 0.075 0.000 0.973 250 T CB -0.131 68.718 68.868 -0.032 0.000 1.113 250 T HN 0.535 nan 8.240 nan 0.000 0.522 251 Y N 0.524 120.918 120.300 0.157 0.000 2.165 251 Y HA 0.009 4.558 4.550 -0.001 0.000 0.286 251 Y C 2.336 178.418 175.900 0.304 0.000 1.155 251 Y CA 0.809 59.045 58.100 0.227 0.000 1.164 251 Y CB -1.100 37.500 38.460 0.234 0.000 0.978 251 Y HN 0.673 nan 8.280 nan 0.000 0.513 252 I N -3.230 117.569 120.570 0.382 0.000 3.956 252 I HA 0.465 4.634 4.170 -0.001 0.000 0.333 252 I C 1.585 177.894 176.117 0.319 0.000 1.302 252 I CA 0.594 62.124 61.300 0.382 0.000 1.122 252 I CB -0.170 38.035 38.000 0.341 0.000 1.013 252 I HN -0.021 nan 8.210 nan 0.000 0.405 253 A N 1.127 124.069 122.820 0.203 0.000 2.251 253 A HA 0.195 4.515 4.320 -0.001 0.000 0.209 253 A C 0.897 178.532 177.584 0.085 0.000 1.187 253 A CA -0.207 51.883 52.037 0.089 0.000 0.823 253 A CB -0.366 18.670 19.000 0.060 0.000 0.846 253 A HN 0.368 nan 8.150 nan 0.000 0.486 254 K N -0.147 120.348 120.400 0.159 0.000 2.491 254 K HA 0.277 4.596 4.320 -0.001 0.000 0.279 254 K C 1.107 177.766 176.600 0.098 0.000 1.026 254 K CA 0.970 57.334 56.287 0.130 0.000 1.070 254 K CB 0.036 32.638 32.500 0.169 0.000 0.887 254 K HN 0.611 nan 8.250 nan 0.000 0.481 255 G N 1.071 109.904 108.800 0.054 0.000 2.179 255 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.220 255 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.220 255 G C 0.665 175.561 174.900 -0.007 0.000 0.990 255 G CA 0.126 45.248 45.100 0.036 0.000 0.646 255 G HN 0.536 nan 8.290 nan 0.000 0.517 256 V N -1.565 118.333 119.914 -0.028 0.000 2.626 256 V HA 0.395 4.515 4.120 -0.001 0.000 0.252 256 V C 1.285 177.357 176.094 -0.038 0.000 1.067 256 V CA 1.464 63.733 62.300 -0.050 0.000 1.081 256 V CB -0.343 31.446 31.823 -0.056 0.000 0.686 256 V HN 0.441 nan 8.190 nan 0.000 0.468 257 L N 0.509 121.713 121.223 -0.032 0.000 2.334 257 L HA 0.582 4.921 4.340 -0.001 0.000 0.273 257 L C -2.446 174.454 176.870 0.050 0.000 1.013 257 L CA -2.283 52.544 54.840 -0.023 0.000 0.816 257 L CB 1.766 43.733 42.059 -0.153 0.000 1.278 257 L HN -0.036 nan 8.230 nan 0.000 0.431 258 P HA -0.008 nan 4.420 nan 0.000 0.268 258 P C -0.545 176.818 177.300 0.104 0.000 1.208 258 P CA -0.328 62.833 63.100 0.100 0.000 0.777 258 P CB 0.379 32.145 31.700 0.110 0.000 0.875 259 V N 2.199 122.157 119.914 0.073 0.000 2.617 259 V HA 0.236 4.355 4.120 -0.001 0.000 0.304 259 V C 1.721 177.857 176.094 0.069 0.000 1.040 259 V CA 1.957 64.296 62.300 0.064 0.000 1.149 259 V CB -0.513 31.339 31.823 0.048 0.000 0.914 259 V HN 1.053 nan 8.190 nan 0.000 0.487 260 G N 2.870 111.713 108.800 0.072 0.000 2.234 260 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.235 260 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.235 260 G C 0.369 175.320 174.900 0.085 0.000 0.997 260 G CA 0.216 45.351 45.100 0.059 0.000 0.623 260 G HN 0.904 nan 8.290 nan 0.000 0.514 261 H N 2.505 121.593 119.070 0.030 0.000 3.001 261 H HA 0.176 4.731 4.556 -0.001 0.000 0.334 261 H C 1.942 177.303 175.328 0.056 0.000 1.034 261 H CA 1.121 57.192 56.048 0.039 0.000 1.420 261 H CB 0.737 30.523 29.762 0.039 0.000 1.405 261 H HN 0.682 nan 8.280 nan 0.000 0.593 262 E N 4.286 124.704 120.200 0.364 0.000 2.347 262 E HA -0.074 4.276 4.350 -0.001 0.000 0.196 262 E C 1.170 177.982 176.600 0.354 0.000 1.008 262 E CA 0.558 57.119 56.400 0.268 0.000 0.852 262 E CB 0.128 29.924 29.700 0.160 0.000 0.783 262 E HN 0.571 nan 8.360 nan 0.000 0.505 263 L N 0.919 122.374 121.223 0.385 0.000 2.592 263 L HA 0.117 4.457 4.340 -0.001 0.000 0.227 263 L C 1.004 177.940 176.870 0.110 0.000 1.127 263 L CA -0.325 54.596 54.840 0.136 0.000 0.884 263 L CB -0.189 41.832 42.059 -0.065 0.000 1.065 263 L HN 0.047 nan 8.230 nan 0.000 0.457 264 N N 0.339 119.128 118.700 0.149 0.000 2.434 264 N HA -0.097 4.642 4.740 -0.001 0.000 0.273 264 N C 0.261 175.914 175.510 0.238 0.000 1.210 264 N CA 0.239 53.366 53.050 0.128 0.000 0.992 264 N CB 0.220 38.767 38.487 0.101 0.000 1.355 264 N HN 0.071 nan 8.380 nan 0.000 0.495 265 Y N 1.617 121.892 120.300 -0.041 0.000 2.490 265 Y HA 0.254 4.804 4.550 -0.001 0.000 0.281 265 Y C 1.667 177.527 175.900 -0.066 0.000 1.174 265 Y CA 0.297 58.359 58.100 -0.063 0.000 1.295 265 Y CB -0.256 38.156 38.460 -0.079 0.000 1.062 265 Y HN 0.616 nan 8.280 nan 0.000 0.522 266 G N -0.168 108.678 108.800 0.077 0.000 2.661 266 G HA2 0.182 4.141 3.960 -0.001 0.000 0.685 266 G HA3 0.182 4.141 3.960 -0.001 0.000 0.685 266 G C -0.709 174.214 174.900 0.039 0.000 1.298 266 G CA -0.764 44.344 45.100 0.012 0.000 0.855 266 G HN 0.475 nan 8.290 nan 0.000 0.560 267 A N -0.979 121.853 122.820 0.021 0.000 2.279 267 A HA 0.865 5.184 4.320 -0.001 0.000 0.303 267 A C 0.290 177.936 177.584 0.102 0.000 1.108 267 A CA -0.005 52.085 52.037 0.088 0.000 0.830 267 A CB 1.543 20.605 19.000 0.103 0.000 1.106 267 A HN 1.886 nan 8.150 nan 0.000 0.493 268 V N 0.613 120.645 119.914 0.195 0.000 2.547 268 V HA 0.725 4.844 4.120 -0.001 0.000 0.299 268 V C 0.386 176.668 176.094 0.314 0.000 1.040 268 V CA -0.013 62.424 62.300 0.228 0.000 0.913 268 V CB 1.656 33.670 31.823 0.318 0.000 0.992 268 V HN 1.092 nan 8.190 nan 0.000 0.449 269 T N 1.961 116.666 114.554 0.252 0.000 2.916 269 T HA 0.498 4.848 4.350 -0.001 0.000 0.305 269 T C 1.098 175.901 174.700 0.171 0.000 1.119 269 T CA 0.241 62.536 62.100 0.324 0.000 1.008 269 T CB 1.734 70.756 68.868 0.257 0.000 1.129 269 T HN 0.825 nan 8.240 nan 0.000 0.480 270 G N 1.621 110.501 108.800 0.135 0.000 2.479 270 G HA2 0.025 3.985 3.960 -0.001 0.000 0.220 270 G HA3 0.025 3.985 3.960 -0.001 0.000 0.220 270 G C 0.138 174.987 174.900 -0.086 0.000 1.115 270 G CA 0.882 45.967 45.100 -0.025 0.000 0.757 270 G HN 0.660 nan 8.290 nan 0.000 0.560 274 G N 1.127 109.580 108.800 -0.578 0.000 2.403 274 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.216 274 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.216 274 G C 1.620 176.313 174.900 -0.346 0.000 1.154 274 G CA 0.622 45.037 45.100 -1.140 0.000 0.784 274 G HN 0.281 nan 8.290 nan 0.000 0.538 275 I N 0.156 120.681 120.570 -0.076 0.000 2.286 275 I HA -0.008 4.162 4.170 -0.001 0.000 0.245 275 I C 2.441 178.489 176.117 -0.114 0.000 1.104 275 I CA 0.670 61.980 61.300 0.018 0.000 1.397 275 I CB -0.063 37.757 38.000 -0.300 0.000 1.072 275 I HN 0.084 nan 8.210 nan 0.000 0.417 276 L N 0.191 121.256 121.223 -0.262 0.000 2.418 276 L HA -0.012 4.327 4.340 -0.001 0.000 0.218 276 L C 0.549 177.453 176.870 0.056 0.000 1.125 276 L CA 0.140 54.761 54.840 -0.364 0.000 0.835 276 L CB -0.537 41.325 42.059 -0.329 0.000 0.953 276 L HN 0.396 nan 8.230 nan 0.000 0.454 277 N N 0.312 119.059 118.700 0.079 0.000 2.688 277 N HA -0.297 4.443 4.740 -0.001 0.000 0.258 277 N C -0.869 174.768 175.510 0.211 0.000 1.016 277 N CA 0.491 53.617 53.050 0.127 0.000 0.747 277 N CB -1.049 37.560 38.487 0.203 0.000 0.895 277 N HN 0.263 nan 8.380 nan 0.000 0.543 278 F N 0.112 120.030 119.950 -0.054 0.000 2.688 278 F HA 0.448 4.975 4.527 -0.001 0.000 0.308 278 F C -2.336 173.426 175.800 -0.062 0.000 1.117 278 F CA -1.580 56.394 58.000 -0.043 0.000 0.976 278 F CB 1.627 40.599 39.000 -0.048 0.000 1.291 278 F HN -0.005 nan 8.300 nan 0.000 0.439 279 P HA 0.227 nan 4.420 nan 0.000 0.237 279 P C -0.266 176.938 177.300 -0.161 0.000 1.788 279 P CA 0.334 63.241 63.100 -0.322 0.000 1.061 279 P CB 0.499 31.967 31.700 -0.386 0.000 1.967 280 A N 2.575 125.437 122.820 0.071 0.000 1.874 280 A HA -0.071 4.248 4.320 -0.001 0.000 0.214 280 A C 2.086 179.723 177.584 0.089 0.000 1.189 280 A CA 0.914 53.058 52.037 0.179 0.000 0.615 280 A CB -1.071 18.009 19.000 0.134 0.000 0.830 280 A HN 0.334 nan 8.150 nan 0.000 0.443 281 L N -1.048 120.227 121.223 0.088 0.000 2.046 281 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 281 L C 2.856 179.842 176.870 0.193 0.000 1.077 281 L CA 1.757 56.706 54.840 0.183 0.000 0.747 281 L CB -0.439 41.732 42.059 0.188 0.000 0.896 281 L HN 0.451 nan 8.230 nan 0.000 0.432 282 Q N -0.673 119.184 119.800 0.095 0.000 2.119 282 Q HA -0.080 4.259 4.340 -0.001 0.000 0.201 282 Q C 0.913 176.957 176.000 0.073 0.000 0.972 282 Q CA 1.079 56.928 55.803 0.076 0.000 0.847 282 Q CB 0.057 28.797 28.738 0.004 0.000 0.903 282 Q HN 0.431 nan 8.270 nan 0.000 0.433 286 A N 1.367 124.289 122.820 0.171 0.000 1.883 286 A HA -0.079 4.241 4.320 -0.001 0.000 0.217 286 A C -0.483 177.108 177.584 0.013 0.000 1.186 286 A CA 2.344 54.432 52.037 0.086 0.000 0.624 286 A CB -1.838 17.194 19.000 0.054 0.000 0.822 286 A HN 0.219 nan 8.150 nan 0.000 0.444 287 P HA 0.123 nan 4.420 nan 0.000 0.240 287 P C 0.085 177.256 177.300 -0.215 0.000 1.190 287 P CA 0.274 63.272 63.100 -0.171 0.000 0.781 287 P CB -0.201 31.350 31.700 -0.248 0.000 0.931 288 V N 3.451 123.246 119.914 -0.198 0.000 2.599 288 V HA -0.023 4.096 4.120 -0.001 0.000 0.300 288 V C 1.487 177.577 176.094 -0.006 0.000 1.034 288 V CA 1.012 63.238 62.300 -0.123 0.000 1.115 288 V CB 0.328 32.118 31.823 -0.055 0.000 0.934 288 V HN 0.204 nan 8.190 nan 0.000 0.485 289 D N 2.866 123.286 120.400 0.034 0.000 2.433 289 D HA 0.184 4.823 4.640 -0.001 0.000 0.211 289 D C -0.140 176.178 176.300 0.029 0.000 1.114 289 D CA -0.101 53.925 54.000 0.042 0.000 0.837 289 D CB 0.658 41.497 40.800 0.065 0.000 0.984 289 D HN 0.326 nan 8.370 nan 0.000 0.505 290 L N 0.960 122.191 121.223 0.014 0.000 2.528 290 L HA 0.428 4.767 4.340 -0.001 0.000 0.267 290 L C -1.813 175.019 176.870 -0.063 0.000 0.961 290 L CA -0.842 53.993 54.840 -0.009 0.000 0.866 290 L CB 2.214 44.292 42.059 0.033 0.000 1.248 290 L HN -0.181 nan 8.230 nan 0.000 0.404 291 V N 6.264 126.075 119.914 -0.171 0.000 2.347 291 V HA 0.446 4.565 4.120 -0.001 0.000 0.280 291 V C -0.291 175.627 176.094 -0.292 0.000 1.021 291 V CA -0.404 61.700 62.300 -0.326 0.000 0.847 291 V CB 1.350 32.697 31.823 -0.794 0.000 0.990 291 V HN 0.554 nan 8.190 nan 0.000 0.444 292 L N 5.177 126.281 121.223 -0.199 0.000 2.264 292 L HA 0.395 4.734 4.340 -0.001 0.000 0.287 292 L C 0.844 177.594 176.870 -0.200 0.000 1.039 292 L CA -0.022 54.711 54.840 -0.179 0.000 0.829 292 L CB 1.348 43.344 42.059 -0.105 0.000 1.211 292 L HN 0.768 nan 8.230 nan 0.000 0.427 293 T N 0.414 114.830 114.554 -0.230 0.000 2.863 293 T HA 0.408 4.757 4.350 -0.001 0.000 0.299 293 T C 0.063 174.736 174.700 -0.045 0.000 0.973 293 T CA -0.710 61.316 62.100 -0.124 0.000 0.994 293 T CB 0.079 68.849 68.868 -0.162 0.000 0.961 293 T HN 0.142 nan 8.240 nan 0.000 0.552 294 V N 3.619 123.510 119.914 -0.038 0.000 2.389 294 V HA 0.566 4.686 4.120 -0.001 0.000 0.264 294 V C 1.429 177.527 176.094 0.008 0.000 1.049 294 V CA 0.102 62.371 62.300 -0.052 0.000 0.932 294 V CB -0.051 31.763 31.823 -0.016 0.000 1.011 294 V HN 1.288 nan 8.190 nan 0.000 0.475 295 G N 3.897 112.694 108.800 -0.005 0.000 2.298 295 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.287 295 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.287 295 G C -0.266 174.675 174.900 0.068 0.000 1.075 295 G CA -0.001 45.111 45.100 0.020 0.000 0.960 295 G HN 0.914 nan 8.290 nan 0.000 0.502 296 Y N 0.845 121.147 120.300 0.002 0.000 2.511 296 Y HA 0.481 5.030 4.550 -0.001 0.000 0.332 296 Y C 0.197 176.143 175.900 0.077 0.000 1.177 296 Y CA 0.102 58.237 58.100 0.058 0.000 1.422 296 Y CB 1.214 39.752 38.460 0.130 0.000 1.271 296 Y HN 0.252 nan 8.280 nan 0.000 0.550 297 D N 4.618 124.574 120.400 -0.739 0.000 2.616 297 D HA 0.023 4.663 4.640 -0.001 0.000 0.238 297 D C -0.201 175.721 176.300 -0.630 0.000 1.354 297 D CA -0.496 53.218 54.000 -0.476 0.000 0.970 297 D CB 0.360 41.033 40.800 -0.211 0.000 1.369 297 D HN 0.570 nan 8.370 nan 0.000 0.585 298 Y N 3.722 123.717 120.300 -0.507 0.000 2.315 298 Y HA -0.088 4.462 4.550 -0.001 0.000 0.288 298 Y C 1.904 177.695 175.900 -0.182 0.000 1.154 298 Y CA 2.090 60.040 58.100 -0.251 0.000 1.229 298 Y CB -0.122 38.348 38.460 0.017 0.000 0.980 298 Y HN 0.527 nan 8.280 nan 0.000 0.540 299 A N 0.005 122.740 122.820 -0.143 0.000 2.019 299 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 299 A C 2.052 179.503 177.584 -0.220 0.000 1.164 299 A CA 1.698 53.627 52.037 -0.180 0.000 0.644 299 A CB -0.614 18.329 19.000 -0.094 0.000 0.805 299 A HN 0.612 nan 8.150 nan 0.000 0.449 300 E N -1.461 118.591 120.200 -0.247 0.000 2.338 300 E HA -0.125 4.224 4.350 -0.001 0.000 0.197 300 E C 0.171 176.536 176.600 -0.392 0.000 1.007 300 E CA 0.566 56.790 56.400 -0.294 0.000 0.849 300 E CB -0.086 29.454 29.700 -0.268 0.000 0.774 300 E HN 0.551 nan 8.360 nan 0.000 0.506 301 D N -0.736 119.470 120.400 -0.323 0.000 3.068 301 D HA -0.158 4.481 4.640 -0.001 0.000 0.218 301 D C -1.055 175.147 176.300 -0.164 0.000 1.145 301 D CA 0.199 54.037 54.000 -0.269 0.000 0.896 301 D CB -0.880 39.814 40.800 -0.176 0.000 1.105 301 D HN 0.051 nan 8.370 nan 0.000 0.423 302 L N 1.609 122.766 121.223 -0.111 0.000 2.302 302 L HA 0.415 4.754 4.340 -0.001 0.000 0.285 302 L C 0.187 177.161 176.870 0.172 0.000 1.090 302 L CA 0.156 55.039 54.840 0.073 0.000 0.866 302 L CB 0.075 42.227 42.059 0.155 0.000 1.244 302 L HN 0.017 nan 8.230 nan 0.000 0.435 303 R N 5.306 125.819 120.500 0.021 0.000 2.536 303 R HA 0.374 4.713 4.340 -0.001 0.000 0.279 303 R C -1.537 174.412 176.300 -0.585 0.000 1.001 303 R CA -1.647 54.420 56.100 -0.056 0.000 1.027 303 R CB 0.449 30.729 30.300 -0.033 0.000 1.096 303 R HN 0.346 nan 8.270 nan 0.000 0.502 304 P HA -0.204 nan 4.420 nan 0.000 0.216 304 P C 0.393 176.879 177.300 -1.357 0.000 1.150 304 P CA 1.276 63.235 63.100 -1.901 0.000 0.843 304 P CB 0.110 31.183 31.700 -1.045 0.000 0.787 308 Q N 2.721 122.336 119.800 -0.307 0.000 3.181 308 Q HA 0.217 4.556 4.340 -0.001 0.000 0.293 308 Q C -0.311 175.662 176.000 -0.045 0.000 1.406 308 Q CA 0.335 56.062 55.803 -0.126 0.000 1.026 308 Q CB 0.186 28.785 28.738 -0.232 0.000 1.630 308 Q HN -0.145 nan 8.270 nan 0.000 0.553 309 K N 0.207 120.631 120.400 0.040 0.000 2.316 309 K HA 0.622 4.942 4.320 -0.001 0.000 0.251 309 K C 0.537 177.181 176.600 0.075 0.000 0.934 309 K CA -0.070 56.256 56.287 0.066 0.000 0.802 309 K CB 1.851 34.433 32.500 0.136 0.000 1.171 309 K HN 0.426 nan 8.250 nan 0.000 0.426 310 G N 2.442 111.267 108.800 0.042 0.000 2.536 310 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.280 310 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.280 310 G C 0.231 175.146 174.900 0.025 0.000 1.152 310 G CA 0.119 45.238 45.100 0.031 0.000 0.970 310 G HN 0.773 nan 8.290 nan 0.000 0.549 311 I N -0.218 120.366 120.570 0.024 0.000 3.004 311 I HA 0.566 4.735 4.170 -0.001 0.000 0.287 311 I C 0.384 176.521 176.117 0.034 0.000 1.144 311 I CA -0.601 60.712 61.300 0.021 0.000 1.353 311 I CB 0.503 38.511 38.000 0.014 0.000 1.417 311 I HN 0.440 nan 8.210 nan 0.000 0.602 312 E N 3.448 123.666 120.200 0.030 0.000 2.384 312 E HA 0.200 4.549 4.350 -0.001 0.000 0.266 312 E C -0.842 175.785 176.600 0.045 0.000 1.012 312 E CA 0.133 56.555 56.400 0.037 0.000 0.901 312 E CB 0.886 30.603 29.700 0.028 0.000 0.967 312 E HN 0.480 nan 8.360 nan 0.000 0.435 313 K N 1.968 122.405 120.400 0.063 0.000 2.318 313 K HA 0.345 4.664 4.320 -0.001 0.000 0.249 313 K C -0.097 176.535 176.600 0.054 0.000 0.942 313 K CA -0.830 55.491 56.287 0.055 0.000 0.808 313 K CB 1.764 34.302 32.500 0.063 0.000 1.189 313 K HN 0.073 nan 8.250 nan 0.000 0.428 314 K N 1.251 121.671 120.400 0.032 0.000 2.118 314 K HA 0.332 4.652 4.320 -0.001 0.000 0.264 314 K C -0.204 176.397 176.600 0.001 0.000 1.000 314 K CA -0.368 55.936 56.287 0.028 0.000 0.929 314 K CB 1.502 34.017 32.500 0.026 0.000 1.021 314 K HN 0.844 nan 8.250 nan 0.000 0.463 315 T N -2.412 112.148 114.554 0.010 0.000 2.876 315 T HA 0.536 4.886 4.350 -0.001 0.000 0.289 315 T C -0.446 174.227 174.700 -0.044 0.000 1.014 315 T CA -0.872 61.214 62.100 -0.025 0.000 0.986 315 T CB 1.419 70.358 68.868 0.118 0.000 1.021 315 T HN 0.130 nan 8.240 nan 0.000 0.458 316 V N 2.453 122.313 119.914 -0.089 0.000 2.444 316 V HA 0.572 4.691 4.120 -0.001 0.000 0.294 316 V C 0.158 176.155 176.094 -0.162 0.000 1.022 316 V CA -0.999 61.227 62.300 -0.122 0.000 0.850 316 V CB 1.528 33.281 31.823 -0.116 0.000 0.992 316 V HN 0.984 nan 8.190 nan 0.000 0.426 317 R N 4.265 124.655 120.500 -0.182 0.000 2.254 317 R HA 0.703 5.042 4.340 -0.001 0.000 0.318 317 R C -1.382 174.777 176.300 -0.236 0.000 1.031 317 R CA -0.448 55.561 56.100 -0.152 0.000 0.905 317 R CB 0.858 31.030 30.300 -0.213 0.000 1.050 317 R HN 0.658 nan 8.270 nan 0.000 0.456 318 I N 2.851 123.270 120.570 -0.252 0.000 2.418 318 I HA 0.331 4.500 4.170 -0.001 0.000 0.287 318 I C -0.558 175.461 176.117 -0.163 0.000 1.008 318 I CA -0.021 61.064 61.300 -0.358 0.000 1.104 318 I CB 2.039 39.620 38.000 -0.699 0.000 1.264 318 I HN 0.542 nan 8.210 nan 0.000 0.438 319 S N 6.685 122.305 115.700 -0.133 0.000 2.537 319 S HA 0.558 5.027 4.470 -0.001 0.000 0.271 319 S C -2.648 171.900 174.600 -0.087 0.000 1.148 319 S CA -1.024 57.138 58.200 -0.064 0.000 0.868 319 S CB 2.039 65.247 63.200 0.014 0.000 1.115 319 S HN 0.366 nan 8.310 nan 0.000 0.461 320 P HA 0.196 nan 4.420 nan 0.000 0.249 320 P C -0.112 177.161 177.300 -0.046 0.000 1.593 320 P CA 0.113 63.165 63.100 -0.080 0.000 0.896 320 P CB -0.864 30.795 31.700 -0.068 0.000 1.581 321 T N -4.189 110.346 114.554 -0.032 0.000 2.883 321 T HA 0.407 4.757 4.350 -0.001 0.000 0.301 321 T C -0.272 174.420 174.700 -0.013 0.000 1.158 321 T CA -0.796 61.296 62.100 -0.013 0.000 1.007 321 T CB 1.242 70.114 68.868 0.006 0.000 1.186 321 T HN -0.238 nan 8.240 nan 0.000 0.499 322 V N 2.734 122.644 119.914 -0.008 0.000 2.740 322 V HA 0.195 4.314 4.120 -0.001 0.000 0.303 322 V C 0.979 177.072 176.094 -0.002 0.000 1.054 322 V CA -0.528 61.766 62.300 -0.010 0.000 1.106 322 V CB 0.425 32.243 31.823 -0.007 0.000 0.957 322 V HN 0.993 nan 8.190 nan 0.000 0.486 323 N N 6.914 125.604 118.700 -0.016 0.000 2.429 323 N HA 0.084 4.824 4.740 -0.001 0.000 0.271 323 N C -1.082 174.427 175.510 -0.002 0.000 1.272 323 N CA -1.439 51.606 53.050 -0.007 0.000 0.921 323 N CB 0.960 39.407 38.487 -0.068 0.000 1.128 323 N HN 0.417 nan 8.380 nan 0.000 0.481 324 P HA 0.078 nan 4.420 nan 0.000 0.249 324 P C 0.107 177.404 177.300 -0.006 0.000 1.229 324 P CA 0.563 63.672 63.100 0.014 0.000 0.788 324 P CB -0.072 31.650 31.700 0.037 0.000 1.072 325 I N -3.785 116.769 120.570 -0.026 0.000 2.944 325 I HA 0.406 4.575 4.170 -0.001 0.000 0.334 325 I C -1.999 174.067 176.117 -0.086 0.000 1.420 325 I CA -2.468 58.779 61.300 -0.089 0.000 0.856 325 I CB 1.194 39.050 38.000 -0.239 0.000 2.091 325 I HN -0.347 nan 8.210 nan 0.000 0.571 326 P HA -0.177 nan 4.420 nan 0.000 0.225 326 P C 1.484 178.747 177.300 -0.061 0.000 1.148 326 P CA 1.103 64.160 63.100 -0.070 0.000 0.779 326 P CB 0.113 31.776 31.700 -0.062 0.000 0.780 327 R N 0.125 120.588 120.500 -0.063 0.000 2.115 327 R HA -0.048 4.291 4.340 -0.001 0.000 0.230 327 R C 1.623 177.883 176.300 -0.068 0.000 1.111 327 R CA 1.257 57.323 56.100 -0.057 0.000 0.976 327 R CB -0.167 30.103 30.300 -0.050 0.000 0.870 327 R HN 0.056 nan 8.270 nan 0.000 0.445 328 V N -1.082 118.770 119.914 -0.103 0.000 2.908 328 V HA 0.059 4.179 4.120 -0.001 0.000 0.240 328 V C -0.246 175.820 176.094 -0.046 0.000 1.117 328 V CA 0.350 62.572 62.300 -0.129 0.000 1.133 328 V CB 0.224 31.860 31.823 -0.311 0.000 0.857 328 V HN 0.183 nan 8.190 nan 0.000 0.478 329 Y N 2.037 122.220 120.300 -0.195 0.000 2.363 329 Y HA 0.562 5.111 4.550 -0.001 0.000 0.325 329 Y C -0.115 175.726 175.900 -0.098 0.000 0.984 329 Y CA -1.842 56.171 58.100 -0.146 0.000 1.248 329 Y CB 0.831 39.194 38.460 -0.163 0.000 1.116 329 Y HN 0.025 nan 8.280 nan 0.000 0.470 330 R N 7.485 127.945 120.500 -0.066 0.000 2.396 330 R HA 0.316 4.655 4.340 -0.001 0.000 0.292 330 R C -2.584 173.573 176.300 -0.237 0.000 1.240 330 R CA -1.675 54.312 56.100 -0.189 0.000 1.270 330 R CB 0.903 31.156 30.300 -0.078 0.000 1.108 330 R HN 0.472 nan 8.270 nan 0.000 0.573 331 P HA 0.003 nan 4.420 nan 0.000 0.269 331 P C -0.069 177.136 177.300 -0.158 0.000 1.215 331 P CA -0.114 62.772 63.100 -0.357 0.000 0.780 331 P CB 1.160 32.523 31.700 -0.560 0.000 0.898 332 D N -0.170 120.187 120.400 -0.071 0.000 2.178 332 D HA -0.014 4.626 4.640 -0.001 0.000 0.202 332 D C 0.284 176.556 176.300 -0.046 0.000 0.974 332 D CA 1.356 55.332 54.000 -0.039 0.000 0.841 332 D CB 0.346 41.143 40.800 -0.005 0.000 0.953 332 D HN 0.107 nan 8.370 nan 0.000 0.478 333 V N 1.163 121.039 119.914 -0.064 0.000 2.623 333 V HA 0.168 4.287 4.120 -0.001 0.000 0.304 333 V C -0.919 175.112 176.094 -0.106 0.000 1.054 333 V CA -0.909 61.360 62.300 -0.052 0.000 0.882 333 V CB 2.511 34.333 31.823 -0.002 0.000 1.002 333 V HN -0.141 nan 8.190 nan 0.000 0.424 334 D N 3.543 123.883 120.400 -0.101 0.000 2.440 334 D HA 0.492 5.132 4.640 -0.001 0.000 0.239 334 D C -0.850 175.404 176.300 -0.077 0.000 1.084 334 D CA -0.145 53.776 54.000 -0.131 0.000 0.843 334 D CB 1.973 42.689 40.800 -0.141 0.000 1.097 334 D HN 0.268 nan 8.370 nan 0.000 0.531 335 V N 4.456 124.303 119.914 -0.112 0.000 2.311 335 V HA 0.278 4.397 4.120 -0.001 0.000 0.275 335 V C 0.215 176.245 176.094 -0.107 0.000 1.022 335 V CA -0.860 61.402 62.300 -0.064 0.000 0.830 335 V CB 1.422 33.165 31.823 -0.133 0.000 1.012 335 V HN 0.343 nan 8.190 nan 0.000 0.452 336 V N 4.926 124.813 119.914 -0.046 0.000 2.320 336 V HA 0.677 4.796 4.120 -0.001 0.000 0.265 336 V C 0.282 176.266 176.094 -0.183 0.000 1.048 336 V CA 0.361 62.608 62.300 -0.089 0.000 0.865 336 V CB 0.858 32.658 31.823 -0.039 0.000 1.043 336 V HN 1.016 nan 8.190 nan 0.000 0.474 337 T N 2.549 116.925 114.554 -0.297 0.000 2.663 337 T HA 0.219 4.568 4.350 -0.001 0.000 0.305 337 T C -1.590 172.886 174.700 -0.373 0.000 1.660 337 T CA -0.641 61.139 62.100 -0.533 0.000 0.976 337 T CB 1.664 69.794 68.868 -1.230 0.000 1.705 337 T HN 0.681 nan 8.240 nan 0.000 0.494 338 D N 0.594 120.766 120.400 -0.381 0.000 2.414 338 D HA 0.269 4.908 4.640 -0.001 0.000 0.242 338 D C 1.461 177.665 176.300 -0.161 0.000 1.129 338 D CA 0.189 54.062 54.000 -0.213 0.000 0.885 338 D CB 0.954 41.656 40.800 -0.163 0.000 1.198 338 D HN 0.243 nan 8.370 nan 0.000 0.437 339 V N 3.608 123.482 119.914 -0.068 0.000 2.307 339 V HA -0.169 3.950 4.120 -0.001 0.000 0.245 339 V C 2.174 178.311 176.094 0.073 0.000 1.045 339 V CA 1.191 63.499 62.300 0.014 0.000 1.024 339 V CB -0.656 31.174 31.823 0.013 0.000 0.651 339 V HN 0.593 nan 8.190 nan 0.000 0.449 340 L N 0.999 122.238 121.223 0.026 0.000 2.083 340 L HA -0.084 4.255 4.340 -0.001 0.000 0.209 340 L C 2.425 179.319 176.870 0.040 0.000 1.083 340 L CA 2.325 57.185 54.840 0.034 0.000 0.752 340 L CB -0.945 41.127 42.059 0.020 0.000 0.899 340 L HN 0.227 nan 8.230 nan 0.000 0.433 341 A N -0.929 121.891 122.820 -0.001 0.000 1.933 341 A HA -0.255 4.064 4.320 -0.001 0.000 0.218 341 A C 2.246 179.900 177.584 0.116 0.000 1.175 341 A CA 1.753 53.803 52.037 0.022 0.000 0.628 341 A CB -1.139 17.769 19.000 -0.153 0.000 0.814 341 A HN 0.577 nan 8.150 nan 0.000 0.444 342 F N 0.790 120.678 119.950 -0.104 0.000 2.102 342 F HA -0.128 4.398 4.527 -0.001 0.000 0.298 342 F C 2.094 178.018 175.800 0.206 0.000 1.105 342 F CA 1.960 60.002 58.000 0.070 0.000 1.239 342 F CB -0.452 38.500 39.000 -0.079 0.000 0.991 342 F HN 0.009 nan 8.300 nan 0.000 0.474 343 V N 0.641 120.470 119.914 -0.141 0.000 2.427 343 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 343 V C 2.251 178.296 176.094 -0.081 0.000 1.051 343 V CA 2.223 64.401 62.300 -0.203 0.000 1.048 343 V CB -0.692 31.131 31.823 -0.000 0.000 0.666 343 V HN 0.362 nan 8.190 nan 0.000 0.456 344 E N -0.643 119.564 120.200 0.013 0.000 2.107 344 E HA -0.233 4.116 4.350 -0.001 0.000 0.191 344 E C 2.120 178.754 176.600 0.057 0.000 0.982 344 E CA 1.316 57.739 56.400 0.040 0.000 0.809 344 E CB -0.169 29.575 29.700 0.074 0.000 0.756 344 E HN 0.767 nan 8.360 nan 0.000 0.459 345 H N -0.570 118.532 119.070 0.054 0.000 2.389 345 H HA -0.114 4.441 4.556 -0.001 0.000 0.299 345 H C 1.684 176.992 175.328 -0.033 0.000 1.081 345 H CA 1.350 57.432 56.048 0.058 0.000 1.345 345 H CB -0.011 29.883 29.762 0.220 0.000 1.393 345 H HN 0.106 nan 8.280 nan 0.000 0.520 346 F N 1.125 120.924 119.950 -0.251 0.000 2.259 346 F HA -0.048 4.479 4.527 -0.001 0.000 0.298 346 F C 2.206 177.809 175.800 -0.328 0.000 1.088 346 F CA 0.961 58.741 58.000 -0.365 0.000 1.358 346 F CB 0.004 38.556 39.000 -0.747 0.000 1.040 346 F HN 0.155 nan 8.300 nan 0.000 0.505 347 E N -0.207 119.895 120.200 -0.163 0.000 2.058 347 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 347 E C 2.185 178.613 176.600 -0.286 0.000 0.997 347 E CA 2.015 58.292 56.400 -0.205 0.000 0.801 347 E CB -0.701 28.935 29.700 -0.106 0.000 0.746 347 E HN 0.354 nan 8.360 nan 0.000 0.450 348 T N 1.045 115.433 114.554 -0.278 0.000 2.737 348 T HA -0.082 4.267 4.350 -0.001 0.000 0.265 348 T C 1.927 176.400 174.700 -0.377 0.000 1.038 348 T CA 1.465 63.388 62.100 -0.294 0.000 1.144 348 T CB -0.224 68.469 68.868 -0.291 0.000 0.866 348 T HN 0.265 nan 8.240 nan 0.000 0.434 349 A N 1.489 124.024 122.820 -0.476 0.000 2.070 349 A HA -0.043 4.277 4.320 -0.001 0.000 0.220 349 A C 2.226 179.377 177.584 -0.721 0.000 1.159 349 A CA 1.764 53.515 52.037 -0.477 0.000 0.656 349 A CB -0.671 18.098 19.000 -0.386 0.000 0.800 349 A HN 0.606 nan 8.150 nan 0.000 0.453 350 T N -4.802 109.191 114.554 -0.935 0.000 3.182 350 T HA 0.563 4.913 4.350 -0.001 0.000 0.277 350 T C 1.344 175.556 174.700 -0.814 0.000 1.013 350 T CA 0.649 61.853 62.100 -1.494 0.000 0.900 350 T CB 0.349 68.328 68.868 -1.481 0.000 1.098 350 T HN 0.407 nan 8.240 nan 0.000 0.543 351 A N 2.314 124.851 122.820 -0.470 0.000 2.024 351 A HA -0.018 4.302 4.320 -0.001 0.000 0.220 351 A C 2.463 179.962 177.584 -0.141 0.000 1.164 351 A CA 1.770 53.658 52.037 -0.250 0.000 0.643 351 A CB -0.763 18.129 19.000 -0.181 0.000 0.806 351 A HN 0.776 nan 8.150 nan 0.000 0.451 352 S N -1.694 113.951 115.700 -0.092 0.000 2.540 352 S HA 0.335 4.804 4.470 -0.001 0.000 0.218 352 S C 0.062 174.788 174.600 0.211 0.000 0.977 352 S CA -0.647 57.584 58.200 0.051 0.000 0.918 352 S CB -0.305 62.933 63.200 0.064 0.000 0.806 352 S HN 0.099 nan 8.310 nan 0.000 0.496 353 F N 3.148 123.047 119.950 -0.084 0.000 2.506 353 F HA 0.577 5.104 4.527 -0.001 0.000 0.351 353 F C 1.494 177.262 175.800 -0.054 0.000 1.136 353 F CA -1.177 56.779 58.000 -0.074 0.000 1.298 353 F CB -0.257 38.687 39.000 -0.093 0.000 1.145 353 F HN 0.194 nan 8.300 nan 0.000 0.593 354 G N 0.881 109.750 108.800 0.116 0.000 2.503 354 G HA2 0.470 4.430 3.960 -0.001 0.000 0.257 354 G HA3 0.470 4.430 3.960 -0.001 0.000 0.257 354 G C -0.409 174.525 174.900 0.057 0.000 1.214 354 G CA -0.358 44.774 45.100 0.054 0.000 0.839 354 G HN 0.909 nan 8.290 nan 0.000 0.559 355 A N 1.518 124.362 122.820 0.039 0.000 2.507 355 A HA 0.437 4.757 4.320 -0.001 0.000 0.235 355 A C 0.688 178.281 177.584 0.014 0.000 1.070 355 A CA 0.060 52.118 52.037 0.034 0.000 0.768 355 A CB 0.318 19.335 19.000 0.028 0.000 1.011 355 A HN 0.528 nan 8.150 nan 0.000 0.502 356 K N 0.834 121.242 120.400 0.012 0.000 2.087 356 K HA 0.227 4.546 4.320 -0.001 0.000 0.255 356 K C -0.057 176.525 176.600 -0.030 0.000 0.988 356 K CA -0.345 55.927 56.287 -0.025 0.000 0.915 356 K CB 0.875 33.363 32.500 -0.020 0.000 1.043 356 K HN 0.798 nan 8.250 nan 0.000 0.457 357 Q N 2.841 122.590 119.800 -0.084 0.000 2.389 357 Q HA 0.050 4.390 4.340 -0.001 0.000 0.244 357 Q C -0.264 175.725 176.000 -0.018 0.000 1.056 357 Q CA -0.381 55.393 55.803 -0.048 0.000 0.908 357 Q CB 0.450 29.149 28.738 -0.064 0.000 1.273 357 Q HN 0.386 nan 8.270 nan 0.000 0.471 358 R N 3.026 123.581 120.500 0.091 0.000 2.641 358 R HA 0.143 4.482 4.340 -0.001 0.000 0.269 358 R C 0.054 176.570 176.300 0.360 0.000 1.074 358 R CA -0.605 55.622 56.100 0.211 0.000 1.133 358 R CB 0.366 30.739 30.300 0.123 0.000 1.029 358 R HN 0.562 nan 8.270 nan 0.000 0.488 359 H N 0.100 119.376 119.070 0.343 0.000 2.544 359 H HA 0.183 4.738 4.556 -0.001 0.000 0.365 359 H C -1.065 174.414 175.328 0.252 0.000 1.268 359 H CA -0.779 55.438 56.048 0.281 0.000 1.400 359 H CB 0.658 30.509 29.762 0.149 0.000 1.538 359 H HN 0.726 nan 8.280 nan 0.000 0.597 360 D N 0.590 121.018 120.400 0.046 0.000 2.249 360 D HA 0.208 4.847 4.640 -0.001 0.000 0.246 360 D C 0.809 177.021 176.300 -0.146 0.000 1.114 360 D CA -0.558 53.411 54.000 -0.052 0.000 0.854 360 D CB 0.167 40.977 40.800 0.018 0.000 1.132 360 D HN 0.627 nan 8.370 nan 0.000 0.461 361 I N 0.201 120.597 120.570 -0.290 0.000 3.947 361 I HA 0.354 4.523 4.170 -0.001 0.000 0.327 361 I C 0.862 176.852 176.117 -0.212 0.000 1.519 361 I CA -0.481 60.656 61.300 -0.272 0.000 1.122 361 I CB 0.608 38.319 38.000 -0.482 0.000 1.146 361 I HN 0.101 nan 8.210 nan 0.000 0.442 362 E N 2.419 122.523 120.200 -0.159 0.000 2.118 362 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 362 E C -0.457 176.096 176.600 -0.079 0.000 0.992 362 E CA 1.500 57.828 56.400 -0.119 0.000 0.804 362 E CB -1.524 28.132 29.700 -0.074 0.000 0.741 362 E HN 0.489 nan 8.360 nan 0.000 0.458 363 P HA -0.130 nan 4.420 nan 0.000 0.216 363 P C 1.692 178.913 177.300 -0.131 0.000 1.150 363 P CA 0.737 63.865 63.100 0.047 0.000 0.837 363 P CB -0.028 31.824 31.700 0.254 0.000 0.786 364 L N -0.303 120.875 121.223 -0.074 0.000 2.056 364 L HA -0.051 4.288 4.340 -0.001 0.000 0.207 364 L C 2.291 179.002 176.870 -0.265 0.000 1.078 364 L CA 1.792 56.495 54.840 -0.228 0.000 0.749 364 L CB -0.940 41.088 42.059 -0.053 0.000 0.901 364 L HN -0.247 nan 8.230 nan 0.000 0.433 365 R N -0.576 119.805 120.500 -0.199 0.000 2.096 365 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 365 R C 2.243 178.464 176.300 -0.132 0.000 1.127 365 R CA 1.305 57.307 56.100 -0.163 0.000 0.968 365 R CB -0.526 29.679 30.300 -0.157 0.000 0.861 365 R HN 0.551 nan 8.270 nan 0.000 0.440 366 A N 0.561 123.294 122.820 -0.144 0.000 1.929 366 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 366 A C 2.059 179.566 177.584 -0.128 0.000 1.176 366 A CA 1.145 53.118 52.037 -0.108 0.000 0.628 366 A CB -0.262 18.687 19.000 -0.085 0.000 0.816 366 A HN 0.085 nan 8.150 nan 0.000 0.444 367 R N 0.319 120.656 120.500 -0.271 0.000 2.073 367 R HA 0.010 4.349 4.340 -0.001 0.000 0.234 367 R C 1.740 177.997 176.300 -0.072 0.000 1.134 367 R CA 1.734 57.662 56.100 -0.288 0.000 0.952 367 R CB -0.770 29.039 30.300 -0.818 0.000 0.850 367 R HN 0.542 nan 8.270 nan 0.000 0.433 368 I N 0.209 120.715 120.570 -0.106 0.000 2.226 368 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 368 I C 2.237 178.459 176.117 0.174 0.000 1.100 368 I CA 1.466 62.821 61.300 0.091 0.000 1.374 368 I CB -0.383 37.612 38.000 -0.008 0.000 1.057 368 I HN 0.293 nan 8.210 nan 0.000 0.413 369 A N 0.096 122.953 122.820 0.062 0.000 1.969 369 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 369 A C 2.327 179.939 177.584 0.046 0.000 1.169 369 A CA 1.828 53.895 52.037 0.050 0.000 0.635 369 A CB -0.586 18.419 19.000 0.009 0.000 0.810 369 A HN 0.552 nan 8.150 nan 0.000 0.445 370 E N -1.376 118.855 120.200 0.052 0.000 2.107 370 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 370 E C 1.592 178.194 176.600 0.004 0.000 0.982 370 E CA 0.867 57.284 56.400 0.028 0.000 0.809 370 E CB -0.241 29.473 29.700 0.022 0.000 0.756 370 E HN 0.524 nan 8.360 nan 0.000 0.459 371 F N 1.159 121.005 119.950 -0.173 0.000 2.102 371 F HA -0.110 4.416 4.527 -0.001 0.000 0.298 371 F C 2.224 177.835 175.800 -0.314 0.000 1.105 371 F CA 1.097 58.864 58.000 -0.389 0.000 1.239 371 F CB -0.274 38.415 39.000 -0.518 0.000 0.991 371 F HN 0.041 nan 8.300 nan 0.000 0.474 372 L N -0.984 120.200 121.223 -0.064 0.000 2.131 372 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 372 L C 2.215 179.086 176.870 0.001 0.000 1.092 372 L CA 1.153 55.959 54.840 -0.056 0.000 0.759 372 L CB -0.690 41.374 42.059 0.009 0.000 0.903 372 L HN 0.112 nan 8.230 nan 0.000 0.435 373 A N -1.781 121.040 122.820 0.002 0.000 2.345 373 A HA -0.006 4.313 4.320 -0.001 0.000 0.225 373 A C 0.443 178.026 177.584 -0.002 0.000 1.243 373 A CA -0.306 51.733 52.037 0.003 0.000 0.875 373 A CB -0.286 18.714 19.000 -0.000 0.000 0.929 373 A HN 0.204 nan 8.150 nan 0.000 0.502 374 D N 1.715 122.115 120.400 0.000 0.000 2.536 374 D HA -0.008 4.631 4.640 -0.001 0.000 0.260 374 D C -1.413 174.904 176.300 0.027 0.000 1.270 374 D CA -0.913 53.093 54.000 0.010 0.000 0.934 374 D CB 0.920 41.768 40.800 0.079 0.000 1.129 374 D HN 0.243 nan 8.370 nan 0.000 0.533 375 P HA 0.044 nan 4.420 nan 0.000 0.261 375 P C 0.220 177.479 177.300 -0.067 0.000 1.268 375 P CA -0.060 63.023 63.100 -0.028 0.000 0.833 375 P CB 0.251 31.930 31.700 -0.035 0.000 1.231 376 E N 0.642 120.776 120.200 -0.110 0.000 2.392 376 E HA 0.135 4.485 4.350 -0.001 0.000 0.264 376 E C -0.509 175.903 176.600 -0.313 0.000 1.024 376 E CA 0.064 56.285 56.400 -0.299 0.000 0.903 376 E CB 0.403 29.770 29.700 -0.556 0.000 0.963 376 E HN -0.072 nan 8.360 nan 0.000 0.432 377 T N 4.201 118.562 114.554 -0.322 0.000 2.749 377 T HA 0.262 4.612 4.350 -0.001 0.000 0.287 377 T C -1.063 173.447 174.700 -0.318 0.000 0.970 377 T CA -0.261 61.721 62.100 -0.197 0.000 0.980 377 T CB 0.073 68.876 68.868 -0.108 0.000 0.924 377 T HN 0.262 nan 8.240 nan 0.000 0.456 378 Y N 0.714 120.986 120.300 -0.046 0.000 2.376 378 Y HA 0.487 5.037 4.550 -0.001 0.000 0.325 378 Y C 1.745 177.620 175.900 -0.042 0.000 1.199 378 Y CA -0.816 57.258 58.100 -0.043 0.000 1.206 378 Y CB 0.549 38.978 38.460 -0.053 0.000 1.229 378 Y HN 0.760 nan 8.280 nan 0.000 0.480 379 E N 0.899 121.165 120.200 0.110 0.000 2.208 379 E HA -0.083 4.266 4.350 -0.001 0.000 0.193 379 E C 0.600 177.224 176.600 0.040 0.000 0.988 379 E CA 1.663 58.092 56.400 0.048 0.000 0.828 379 E CB -0.610 29.108 29.700 0.031 0.000 0.763 379 E HN 0.851 nan 8.360 nan 0.000 0.478 380 D N -0.445 119.988 120.400 0.055 0.000 1.509 380 D HA 0.357 4.996 4.640 -0.001 0.000 0.326 380 D C 1.206 177.495 176.300 -0.018 0.000 1.143 380 D CA 1.322 55.322 54.000 0.001 0.000 0.938 380 D CB -0.355 40.422 40.800 -0.038 0.000 1.641 380 D HN 0.465 nan 8.370 nan 0.000 0.550 384 V N 1.752 121.331 119.914 -0.559 0.000 2.515 384 V HA -0.242 3.877 4.120 -0.001 0.000 0.250 384 V C 2.057 178.057 176.094 -0.156 0.000 1.058 384 V CA 2.575 64.654 62.300 -0.368 0.000 1.064 384 V CB -0.747 30.770 31.823 -0.510 0.000 0.675 384 V HN 0.808 nan 8.190 nan 0.000 0.461 385 H N 0.121 119.234 119.070 0.070 0.000 2.421 385 H HA -0.151 4.404 4.556 -0.001 0.000 0.298 385 H C 2.089 177.339 175.328 -0.129 0.000 1.087 385 H CA 1.528 57.513 56.048 -0.106 0.000 1.330 385 H CB -0.608 28.977 29.762 -0.295 0.000 1.388 385 H HN 0.456 nan 8.280 nan 0.000 0.526 386 Q N 0.717 120.422 119.800 -0.159 0.000 2.123 386 Q HA -0.049 4.290 4.340 -0.001 0.000 0.199 386 Q C 2.483 178.452 176.000 -0.051 0.000 0.966 386 Q CA 1.310 57.076 55.803 -0.062 0.000 0.845 386 Q CB 0.071 28.764 28.738 -0.076 0.000 0.907 386 Q HN 0.391 nan 8.270 nan 0.000 0.439 387 V N 1.147 121.009 119.914 -0.087 0.000 2.295 387 V HA -0.270 3.849 4.120 -0.001 0.000 0.246 387 V C 2.110 178.214 176.094 0.016 0.000 1.049 387 V CA 1.724 63.992 62.300 -0.053 0.000 1.024 387 V CB -0.424 31.343 31.823 -0.092 0.000 0.648 387 V HN 0.340 nan 8.190 nan 0.000 0.447 388 I N 0.184 120.790 120.570 0.059 0.000 2.353 388 I HA -0.203 3.966 4.170 -0.001 0.000 0.248 388 I C 2.299 178.486 176.117 0.115 0.000 1.119 388 I CA 1.731 63.111 61.300 0.132 0.000 1.417 388 I CB -0.417 37.714 38.000 0.219 0.000 1.078 388 I HN 0.376 nan 8.210 nan 0.000 0.421 389 D N 0.762 121.202 120.400 0.067 0.000 2.116 389 D HA -0.127 4.513 4.640 -0.001 0.000 0.193 389 D C 1.339 177.681 176.300 0.069 0.000 0.998 389 D CA 1.086 55.122 54.000 0.060 0.000 0.836 389 D CB 0.118 40.937 40.800 0.031 0.000 0.951 389 D HN 0.197 nan 8.370 nan 0.000 0.449 393 T N 2.298 116.916 114.554 0.106 0.000 2.684 393 T HA 0.006 4.356 4.350 -0.001 0.000 0.267 393 T C 1.270 176.032 174.700 0.102 0.000 1.036 393 T CA 1.208 63.359 62.100 0.085 0.000 1.148 393 T CB -0.009 68.900 68.868 0.070 0.000 0.863 393 T HN -0.040 nan 8.240 nan 0.000 0.436 397 E N 0.735 120.952 120.200 0.028 0.000 2.072 397 E HA -0.051 4.299 4.350 -0.001 0.000 0.191 397 E C 1.805 178.420 176.600 0.025 0.000 0.985 397 E CA 1.257 57.675 56.400 0.031 0.000 0.801 397 E CB 0.082 29.810 29.700 0.047 0.000 0.750 397 E HN 0.305 nan 8.360 nan 0.000 0.452 398 A N 1.038 123.873 122.820 0.025 0.000 2.030 398 A HA 0.311 4.631 4.320 -0.001 0.000 0.215 398 A C 1.256 178.834 177.584 -0.010 0.000 1.164 398 A CA 0.508 52.559 52.037 0.023 0.000 0.697 398 A CB 0.135 19.174 19.000 0.065 0.000 0.827 398 A HN 0.205 nan 8.150 nan 0.000 0.457 399 A N 0.715 123.512 122.820 -0.038 0.000 2.310 399 A HA 0.543 4.863 4.320 -0.001 0.000 0.299 399 A C -0.143 177.432 177.584 -0.016 0.000 1.147 399 A CA -0.602 51.410 52.037 -0.041 0.000 0.818 399 A CB 0.280 19.238 19.000 -0.070 0.000 1.096 399 A HN 0.298 nan 8.150 nan 0.000 0.495 400 E N 1.295 121.490 120.200 -0.009 0.000 2.418 400 E HA 0.183 4.532 4.350 -0.001 0.000 0.261 400 E C -2.295 174.305 176.600 0.000 0.000 1.070 400 E CA -1.640 54.760 56.400 -0.001 0.000 0.931 400 E CB -0.396 29.306 29.700 0.004 0.000 0.954 400 E HN 0.338 nan 8.360 nan 0.000 0.439 401 P HA 0.017 nan 4.420 nan 0.000 0.262 401 P C 0.580 177.887 177.300 0.012 0.000 1.182 401 P CA 0.984 64.089 63.100 0.009 0.000 0.761 401 P CB 0.319 32.025 31.700 0.010 0.000 0.795 402 G N 1.369 110.179 108.800 0.016 0.000 2.148 402 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.254 402 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.254 402 G C -0.020 174.891 174.900 0.019 0.000 0.981 402 G CA -0.047 45.065 45.100 0.020 0.000 0.670 402 G HN 0.570 nan 8.290 nan 0.000 0.528 403 E N -1.114 119.092 120.200 0.010 0.000 2.393 403 E HA 0.657 5.006 4.350 -0.001 0.000 0.265 403 E C 0.355 176.947 176.600 -0.013 0.000 0.941 403 E CA -0.516 55.888 56.400 0.006 0.000 0.801 403 E CB 2.011 31.713 29.700 0.002 0.000 1.313 403 E HN 1.551 nan 8.360 nan 0.000 0.435 404 G N 0.273 109.059 108.800 -0.023 0.000 2.712 404 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.686 404 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.686 404 G C -0.847 174.038 174.900 -0.025 0.000 1.181 404 G CA -0.694 44.366 45.100 -0.068 0.000 0.762 404 G HN 0.375 nan 8.290 nan 0.000 0.641 405 T N 1.702 116.234 114.554 -0.037 0.000 2.879 405 T HA 0.623 4.972 4.350 -0.001 0.000 0.290 405 T C 0.363 175.087 174.700 0.041 0.000 0.993 405 T CA -0.444 61.675 62.100 0.030 0.000 0.975 405 T CB 1.338 70.230 68.868 0.041 0.000 0.981 405 T HN 0.646 nan 8.240 nan 0.000 0.439 406 I N 3.115 123.761 120.570 0.127 0.000 2.336 406 I HA 0.453 4.622 4.170 -0.001 0.000 0.292 406 I C -0.289 175.900 176.117 0.121 0.000 0.991 406 I CA -0.944 60.483 61.300 0.213 0.000 1.227 406 I CB 1.433 39.648 38.000 0.358 0.000 1.366 406 I HN 0.262 nan 8.210 nan 0.000 0.466 407 V N 4.979 124.945 119.914 0.087 0.000 2.547 407 V HA 0.413 4.532 4.120 -0.001 0.000 0.299 407 V C -0.005 176.113 176.094 0.041 0.000 1.040 407 V CA -0.426 61.861 62.300 -0.022 0.000 0.913 407 V CB 1.850 33.681 31.823 0.012 0.000 0.992 407 V HN 0.764 nan 8.190 nan 0.000 0.449 408 S N 2.520 118.197 115.700 -0.039 0.000 2.532 408 S HA 0.362 4.832 4.470 -0.001 0.000 0.299 408 S C -0.487 174.263 174.600 0.251 0.000 1.105 408 S CA -0.675 57.627 58.200 0.170 0.000 1.018 408 S CB 1.311 64.591 63.200 0.133 0.000 1.021 408 S HN 0.893 nan 8.310 nan 0.000 0.483 409 D N 2.141 122.794 120.400 0.423 0.000 2.325 409 D HA 0.228 4.867 4.640 -0.001 0.000 0.262 409 D C -0.074 176.404 176.300 0.296 0.000 1.263 409 D CA -0.085 54.189 54.000 0.457 0.000 1.020 409 D CB 0.467 41.568 40.800 0.502 0.000 1.117 409 D HN 0.421 nan 8.370 nan 0.000 0.545 410 I N -0.542 120.196 120.570 0.280 0.000 2.460 410 I HA 0.607 4.777 4.170 -0.001 0.000 0.298 410 I C 1.016 177.148 176.117 0.025 0.000 0.989 410 I CA -0.300 60.998 61.300 -0.002 0.000 1.173 410 I CB 0.476 38.528 38.000 0.087 0.000 1.338 410 I HN 0.605 nan 8.210 nan 0.000 0.456 411 G N 3.792 112.408 108.800 -0.305 0.000 2.356 411 G HA2 0.055 4.014 3.960 -0.001 0.000 0.288 411 G HA3 0.055 4.014 3.960 -0.001 0.000 0.288 411 G C -0.316 174.410 174.900 -0.290 0.000 1.302 411 G CA -0.648 44.394 45.100 -0.098 0.000 0.887 411 G HN 0.311 nan 8.290 nan 0.000 0.521 412 F N 0.959 120.783 119.950 -0.210 0.000 2.126 412 F HA 0.031 4.558 4.527 -0.001 0.000 0.299 412 F C 2.637 178.359 175.800 -0.130 0.000 1.096 412 F CA 2.337 60.186 58.000 -0.252 0.000 1.255 412 F CB -0.658 38.091 39.000 -0.418 0.000 0.997 412 F HN 0.467 nan 8.300 nan 0.000 0.479 413 F N 0.354 120.295 119.950 -0.014 0.000 2.250 413 F HA -0.123 4.403 4.527 -0.001 0.000 0.301 413 F C 2.322 178.151 175.800 0.049 0.000 1.077 413 F CA 1.510 59.504 58.000 -0.011 0.000 1.348 413 F CB -1.314 37.725 39.000 0.064 0.000 1.040 413 F HN -0.092 nan 8.300 nan 0.000 0.509 414 R N 0.633 120.405 120.500 -1.213 0.000 2.096 414 R HA -0.176 4.164 4.340 -0.001 0.000 0.235 414 R C 2.019 178.008 176.300 -0.519 0.000 1.127 414 R CA 1.931 57.515 56.100 -0.860 0.000 0.968 414 R CB -0.983 28.699 30.300 -1.031 0.000 0.861 414 R HN 0.450 nan 8.270 nan 0.000 0.440 415 H N -0.910 117.952 119.070 -0.347 0.000 2.495 415 H HA -0.087 4.468 4.556 -0.001 0.000 0.287 415 H C 1.667 176.848 175.328 -0.244 0.000 1.033 415 H CA 1.036 56.878 56.048 -0.343 0.000 1.307 415 H CB -0.239 29.268 29.762 -0.425 0.000 1.401 415 H HN 0.244 nan 8.280 nan 0.000 0.555 416 Y N 0.717 120.935 120.300 -0.137 0.000 2.181 416 Y HA -0.103 4.446 4.550 -0.001 0.000 0.288 416 Y C 2.867 178.799 175.900 0.053 0.000 1.146 416 Y CA 1.100 59.246 58.100 0.076 0.000 1.164 416 Y CB -0.746 37.903 38.460 0.315 0.000 0.982 416 Y HN 0.207 nan 8.280 nan 0.000 0.515 417 G N -0.342 108.572 108.800 0.191 0.000 2.440 417 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.218 417 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.218 417 G C 1.841 176.428 174.900 -0.522 0.000 1.154 417 G CA 1.519 46.635 45.100 0.027 0.000 0.767 417 G HN 0.289 nan 8.290 nan 0.000 0.552 418 V N 0.878 120.550 119.914 -0.404 0.000 2.287 418 V HA -0.161 3.958 4.120 -0.001 0.000 0.248 418 V C 2.918 178.761 176.094 -0.418 0.000 1.053 418 V CA 1.692 63.730 62.300 -0.437 0.000 1.027 418 V CB -0.442 31.230 31.823 -0.253 0.000 0.646 418 V HN 0.354 nan 8.190 nan 0.000 0.447 419 L N -1.861 119.067 121.223 -0.491 0.000 2.109 419 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 419 L C 2.148 178.636 176.870 -0.637 0.000 1.086 419 L CA 1.531 55.943 54.840 -0.713 0.000 0.760 419 L CB -0.298 40.980 42.059 -1.302 0.000 0.910 419 L HN 0.308 nan 8.230 nan 0.000 0.437 420 F N -0.756 119.117 119.950 -0.128 0.000 2.680 420 F HA 0.339 4.865 4.527 -0.001 0.000 0.290 420 F C 1.349 177.111 175.800 -0.063 0.000 1.114 420 F CA -0.754 57.215 58.000 -0.051 0.000 1.333 420 F CB -0.423 38.614 39.000 0.062 0.000 1.091 420 F HN -0.217 nan 8.300 nan 0.000 0.606 421 A N 1.772 124.582 122.820 -0.016 0.000 2.440 421 A HA 0.300 4.619 4.320 -0.001 0.000 0.251 421 A C 0.684 178.243 177.584 -0.042 0.000 1.089 421 A CA -0.397 51.621 52.037 -0.031 0.000 0.779 421 A CB 0.008 18.923 19.000 -0.141 0.000 1.022 421 A HN 0.306 nan 8.150 nan 0.000 0.492 422 R N 1.821 122.357 120.500 0.061 0.000 2.489 422 R HA 0.381 4.721 4.340 -0.001 0.000 0.287 422 R C -0.385 175.968 176.300 0.087 0.000 1.053 422 R CA 0.685 56.823 56.100 0.063 0.000 1.036 422 R CB 0.260 30.601 30.300 0.070 0.000 0.966 422 R HN 0.841 nan 8.270 nan 0.000 0.432 423 A N 4.113 126.979 122.820 0.076 0.000 2.457 423 A HA 0.199 4.519 4.320 -0.001 0.000 0.283 423 A C -0.866 176.762 177.584 0.074 0.000 1.166 423 A CA -0.720 51.382 52.037 0.108 0.000 0.740 423 A CB 1.459 20.544 19.000 0.143 0.000 1.181 423 A HN 0.840 nan 8.150 nan 0.000 0.446 424 D N 1.397 121.835 120.400 0.062 0.000 2.402 424 D HA 0.172 4.811 4.640 -0.001 0.000 0.216 424 D C 0.457 176.781 176.300 0.041 0.000 1.128 424 D CA 0.717 54.745 54.000 0.047 0.000 0.833 424 D CB 0.268 41.088 40.800 0.034 0.000 0.971 424 D HN 0.762 nan 8.370 nan 0.000 0.503 425 Q N -1.711 118.117 119.800 0.045 0.000 2.630 425 Q HA 0.517 4.857 4.340 -0.001 0.000 0.295 425 Q C -3.017 172.987 176.000 0.007 0.000 0.944 425 Q CA -2.111 53.707 55.803 0.025 0.000 0.766 425 Q CB 1.217 29.974 28.738 0.032 0.000 1.471 425 Q HN -0.265 nan 8.270 nan 0.000 0.416 426 P HA 0.033 nan 4.420 nan 0.000 0.265 426 P C -0.846 176.373 177.300 -0.136 0.000 1.193 426 P CA 0.388 63.352 63.100 -0.228 0.000 0.765 426 P CB -0.073 31.417 31.700 -0.351 0.000 0.823 427 F N 0.865 120.864 119.950 0.080 0.000 3.100 427 F HA -0.188 4.338 4.527 -0.001 0.000 0.283 427 F C 1.638 177.488 175.800 0.083 0.000 0.900 427 F CA 1.159 59.207 58.000 0.080 0.000 1.010 427 F CB -2.621 36.410 39.000 0.052 0.000 1.029 427 F HN 0.492 nan 8.300 nan 0.000 0.637 428 G N -1.321 107.619 108.800 0.234 0.000 2.572 428 G HA2 0.069 4.029 3.960 -0.001 0.000 0.216 428 G HA3 0.069 4.029 3.960 -0.001 0.000 0.216 428 G C 0.119 175.176 174.900 0.262 0.000 1.133 428 G CA 0.451 45.665 45.100 0.191 0.000 0.791 428 G HN 0.344 nan 8.290 nan 0.000 0.538 429 F N 1.158 121.196 119.950 0.146 0.000 2.445 429 F HA 0.646 5.173 4.527 -0.001 0.000 0.348 429 F C -0.906 175.006 175.800 0.188 0.000 1.125 429 F CA -1.525 56.564 58.000 0.149 0.000 0.983 429 F CB 1.174 40.252 39.000 0.131 0.000 1.198 429 F HN -0.256 nan 8.300 nan 0.000 0.436 430 L N 6.048 127.054 121.223 -0.362 0.000 2.313 430 L HA 0.654 4.993 4.340 -0.001 0.000 0.283 430 L C -0.055 176.613 176.870 -0.337 0.000 1.013 430 L CA -0.405 54.312 54.840 -0.204 0.000 0.816 430 L CB 2.032 44.056 42.059 -0.058 0.000 1.236 430 L HN 0.689 nan 8.230 nan 0.000 0.419 431 T N 0.584 115.032 114.554 -0.176 0.000 2.762 431 T HA 0.279 4.628 4.350 -0.001 0.000 0.301 431 T C -1.224 173.294 174.700 -0.304 0.000 1.299 431 T CA -0.388 61.629 62.100 -0.140 0.000 1.005 431 T CB 2.061 70.777 68.868 -0.253 0.000 1.377 431 T HN 0.406 nan 8.240 nan 0.000 0.504 432 S N 1.035 116.268 115.700 -0.779 0.000 2.404 432 S HA 0.604 5.074 4.470 -0.001 0.000 0.309 432 S C 1.001 175.466 174.600 -0.225 0.000 1.076 432 S CA 0.012 57.788 58.200 -0.707 0.000 1.095 432 S CB 0.246 62.776 63.200 -1.116 0.000 0.972 432 S HN 0.823 nan 8.310 nan 0.000 0.484 433 A N 4.606 127.386 122.820 -0.067 0.000 1.943 433 A HA 0.310 4.630 4.320 -0.001 0.000 0.213 433 A C 1.917 179.477 177.584 -0.040 0.000 1.181 433 A CA 0.993 53.056 52.037 0.043 0.000 0.653 433 A CB -0.936 18.043 19.000 -0.036 0.000 0.833 433 A HN 0.871 nan 8.150 nan 0.000 0.451 434 G N -1.531 107.224 108.800 -0.075 0.000 2.411 434 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.213 434 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.213 434 G C 1.639 176.504 174.900 -0.058 0.000 1.166 434 G CA 1.200 46.254 45.100 -0.076 0.000 0.802 434 G HN 0.522 nan 8.290 nan 0.000 0.533 435 C N 0.006 119.273 119.300 -0.055 0.000 2.513 435 C HA 0.369 4.828 4.460 -0.001 0.000 0.292 435 C C 1.718 176.688 174.990 -0.033 0.000 1.359 435 C CA 1.179 60.179 59.018 -0.031 0.000 1.778 435 C CB -0.527 27.215 27.740 0.005 0.000 2.180 435 C HN 0.477 nan 8.230 nan 0.000 0.509 436 S N 1.485 117.143 115.700 -0.070 0.000 3.631 436 S HA -0.169 4.300 4.470 -0.001 0.000 0.366 436 S C 0.111 174.715 174.600 0.007 0.000 0.993 436 S CA 0.710 58.873 58.200 -0.061 0.000 1.167 436 S CB -1.882 61.307 63.200 -0.019 0.000 0.909 436 S HN 0.883 nan 8.310 nan 0.000 0.478 437 S N 2.089 117.836 115.700 0.078 0.000 2.510 437 S HA 0.503 4.972 4.470 -0.001 0.000 0.279 437 S C 0.641 175.430 174.600 0.315 0.000 1.284 437 S CA -0.812 57.480 58.200 0.153 0.000 1.059 437 S CB -0.047 63.268 63.200 0.191 0.000 0.901 437 S HN 0.555 nan 8.310 nan 0.000 0.491 438 F N 3.793 123.767 119.950 0.041 0.000 2.539 438 F HA 0.502 5.028 4.527 -0.001 0.000 0.340 438 F C 1.302 177.161 175.800 0.099 0.000 1.185 438 F CA -0.784 57.274 58.000 0.097 0.000 1.333 438 F CB -1.172 37.884 39.000 0.093 0.000 1.152 438 F HN 0.857 nan 8.300 nan 0.000 0.602 439 G N 1.900 110.804 108.800 0.173 0.000 2.179 439 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.260 439 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.260 439 G C 0.731 175.897 174.900 0.444 0.000 0.977 439 G CA 0.458 45.647 45.100 0.148 0.000 0.641 439 G HN 1.082 nan 8.290 nan 0.000 0.533 440 Y N 1.604 122.125 120.300 0.369 0.000 2.256 440 Y HA 0.059 4.608 4.550 -0.001 0.000 0.288 440 Y C 2.517 178.460 175.900 0.072 0.000 1.155 440 Y CA 2.552 60.794 58.100 0.237 0.000 1.203 440 Y CB -0.497 38.081 38.460 0.197 0.000 0.980 440 Y HN 0.245 nan 8.280 nan 0.000 0.530 441 G N 0.762 109.658 108.800 0.159 0.000 2.480 441 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.216 441 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.216 441 G C 1.760 176.629 174.900 -0.051 0.000 1.200 441 G CA 1.478 46.621 45.100 0.073 0.000 0.782 441 G HN 0.489 nan 8.290 nan 0.000 0.554 442 I N 1.937 122.495 120.570 -0.020 0.000 2.127 442 I HA -0.143 4.027 4.170 -0.001 0.000 0.241 442 I C 0.093 176.118 176.117 -0.153 0.000 1.075 442 I CA 1.433 62.703 61.300 -0.050 0.000 1.334 442 I CB -0.850 37.113 38.000 -0.062 0.000 1.040 442 I HN 0.208 nan 8.210 nan 0.000 0.405 443 P HA -0.169 nan 4.420 nan 0.000 0.216 443 P C 1.348 178.391 177.300 -0.428 0.000 1.150 443 P CA 2.000 64.883 63.100 -0.362 0.000 0.837 443 P CB -0.075 31.318 31.700 -0.512 0.000 0.786 444 A N 0.328 122.814 122.820 -0.556 0.000 1.930 444 A HA 0.007 4.326 4.320 -0.001 0.000 0.217 444 A C 2.434 179.849 177.584 -0.282 0.000 1.175 444 A CA 1.915 53.615 52.037 -0.562 0.000 0.627 444 A CB -1.432 17.029 19.000 -0.897 0.000 0.815 444 A HN 0.221 nan 8.150 nan 0.000 0.443 445 A N -0.142 122.566 122.820 -0.186 0.000 1.968 445 A HA 0.013 4.332 4.320 -0.001 0.000 0.217 445 A C 2.075 179.620 177.584 -0.065 0.000 1.169 445 A CA 1.269 53.261 52.037 -0.075 0.000 0.638 445 A CB -0.517 18.479 19.000 -0.008 0.000 0.812 445 A HN 0.480 nan 8.150 nan 0.000 0.446 446 I N -0.286 120.226 120.570 -0.098 0.000 2.142 446 I HA -0.219 3.950 4.170 -0.001 0.000 0.240 446 I C 2.742 178.813 176.117 -0.077 0.000 1.078 446 I CA 1.307 62.566 61.300 -0.068 0.000 1.343 446 I CB -0.642 37.310 38.000 -0.081 0.000 1.046 446 I HN 0.392 nan 8.210 nan 0.000 0.405 447 G N 0.256 108.950 108.800 -0.177 0.000 2.418 447 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 447 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 447 G C 1.829 176.675 174.900 -0.090 0.000 1.158 447 G CA 0.838 45.834 45.100 -0.174 0.000 0.771 447 G HN 0.504 nan 8.290 nan 0.000 0.545 448 A N -0.263 122.503 122.820 -0.090 0.000 1.930 448 A HA 0.112 4.431 4.320 -0.001 0.000 0.217 448 A C 1.751 179.331 177.584 -0.005 0.000 1.175 448 A CA 1.707 53.719 52.037 -0.042 0.000 0.627 448 A CB -0.315 18.663 19.000 -0.036 0.000 0.815 448 A HN 0.452 nan 8.150 nan 0.000 0.443 452 R N 0.830 121.349 120.500 0.031 0.000 2.748 452 R HA 0.295 4.635 4.340 -0.001 0.000 0.283 452 R C -2.223 174.093 176.300 0.028 0.000 1.507 452 R CA -1.445 54.673 56.100 0.031 0.000 1.666 452 R CB 1.291 31.611 30.300 0.033 0.000 1.237 452 R HN 0.268 nan 8.270 nan 0.000 0.633 453 P HA -0.130 nan 4.420 nan 0.000 0.220 453 P C -0.093 177.222 177.300 0.026 0.000 1.148 453 P CA 1.181 64.297 63.100 0.027 0.000 0.803 453 P CB 0.395 32.109 31.700 0.023 0.000 0.782 454 D N -0.765 119.649 120.400 0.023 0.000 2.388 454 D HA 0.109 4.748 4.640 -0.001 0.000 0.221 454 D C 0.574 176.885 176.300 0.018 0.000 1.133 454 D CA 0.215 54.227 54.000 0.021 0.000 0.831 454 D CB 0.506 41.317 40.800 0.018 0.000 0.962 454 D HN 0.368 nan 8.370 nan 0.000 0.502 455 Q N 0.904 120.714 119.800 0.018 0.000 2.301 455 Q HA 0.413 4.753 4.340 -0.001 0.000 0.267 455 Q C -2.590 173.413 176.000 0.005 0.000 1.035 455 Q CA -2.036 53.770 55.803 0.006 0.000 0.856 455 Q CB 2.083 30.824 28.738 0.005 0.000 1.337 455 Q HN -0.123 nan 8.270 nan 0.000 0.450 456 P HA 0.067 nan 4.420 nan 0.000 0.271 456 P C -1.049 176.216 177.300 -0.058 0.000 1.216 456 P CA -0.030 63.051 63.100 -0.031 0.000 0.771 456 P CB 0.646 32.254 31.700 -0.154 0.000 0.864 457 T N 4.208 118.813 114.554 0.085 0.000 2.815 457 T HA 0.509 4.858 4.350 -0.001 0.000 0.289 457 T C -0.670 174.259 174.700 0.383 0.000 1.000 457 T CA -0.158 62.019 62.100 0.127 0.000 0.958 457 T CB 0.006 68.937 68.868 0.104 0.000 0.944 457 T HN 0.052 nan 8.240 nan 0.000 0.442 458 F N 2.795 122.780 119.950 0.059 0.000 2.480 458 F HA 0.713 5.240 4.527 -0.001 0.000 0.329 458 F C -0.134 175.701 175.800 0.059 0.000 1.091 458 F CA -2.179 55.857 58.000 0.061 0.000 0.972 458 F CB 1.557 40.602 39.000 0.075 0.000 1.150 458 F HN 0.296 nan 8.300 nan 0.000 0.467 459 L N 5.022 126.368 121.223 0.206 0.000 2.356 459 L HA 0.640 4.979 4.340 -0.001 0.000 0.277 459 L C -1.266 175.646 176.870 0.070 0.000 0.996 459 L CA -0.458 54.459 54.840 0.129 0.000 0.822 459 L CB 1.431 43.544 42.059 0.090 0.000 1.256 459 L HN 0.587 nan 8.230 nan 0.000 0.413 460 I N 4.842 125.482 120.570 0.116 0.000 2.441 460 I HA 0.872 5.041 4.170 -0.001 0.000 0.295 460 I C -0.813 175.306 176.117 0.004 0.000 0.994 460 I CA -0.276 61.039 61.300 0.025 0.000 1.144 460 I CB 1.507 39.585 38.000 0.128 0.000 1.314 460 I HN 0.907 nan 8.210 nan 0.000 0.445 461 A N 4.838 127.448 122.820 -0.351 0.000 2.572 461 A HA 0.778 5.097 4.320 -0.001 0.000 0.295 461 A C -0.581 176.451 177.584 -0.919 0.000 1.072 461 A CA -0.373 51.405 52.037 -0.432 0.000 0.691 461 A CB 1.318 20.320 19.000 0.003 0.000 1.291 461 A HN 0.822 nan 8.150 nan 0.000 0.404 462 G N -0.243 108.018 108.800 -0.899 0.000 2.477 462 G HA2 0.442 4.401 3.960 -0.001 0.000 0.304 462 G HA3 0.442 4.401 3.960 -0.001 0.000 0.304 462 G C 0.466 175.251 174.900 -0.192 0.000 1.175 462 G CA 0.320 45.124 45.100 -0.495 0.000 0.907 462 G HN 0.819 nan 8.290 nan 0.000 0.509 463 D N 0.056 120.378 120.400 -0.130 0.000 2.144 463 D HA -0.114 4.525 4.640 -0.001 0.000 0.199 463 D C 2.129 178.526 176.300 0.162 0.000 0.984 463 D CA 1.347 55.308 54.000 -0.066 0.000 0.834 463 D CB -0.721 40.182 40.800 0.172 0.000 0.955 463 D HN 0.466 nan 8.370 nan 0.000 0.465 464 G N 1.005 109.976 108.800 0.286 0.000 2.511 464 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.216 464 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.216 464 G C 1.792 176.792 174.900 0.167 0.000 1.218 464 G CA 1.306 46.628 45.100 0.370 0.000 0.788 464 G HN 0.475 nan 8.290 nan 0.000 0.560 465 G N -0.082 108.854 108.800 0.226 0.000 2.403 465 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.216 465 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.216 465 G C 1.641 176.481 174.900 -0.100 0.000 1.154 465 G CA 0.809 45.910 45.100 0.002 0.000 0.784 465 G HN 0.325 nan 8.290 nan 0.000 0.538 466 F N 0.998 120.888 119.950 -0.100 0.000 2.095 466 F HA -0.096 4.431 4.527 -0.001 0.000 0.298 466 F C 2.438 178.221 175.800 -0.027 0.000 1.104 466 F CA 1.891 59.817 58.000 -0.124 0.000 1.232 466 F CB -0.239 38.577 39.000 -0.306 0.000 0.987 466 F HN 0.240 nan 8.300 nan 0.000 0.475 467 H N -0.147 118.889 119.070 -0.057 0.000 2.524 467 H HA -0.021 4.534 4.556 -0.001 0.000 0.282 467 H C 2.449 177.598 175.328 -0.299 0.000 1.016 467 H CA 1.003 57.002 56.048 -0.082 0.000 1.270 467 H CB -0.476 29.329 29.762 0.072 0.000 1.394 467 H HN 0.363 nan 8.280 nan 0.000 0.568 468 S N -0.959 114.474 115.700 -0.446 0.000 2.442 468 S HA -0.132 4.337 4.470 -0.001 0.000 0.236 468 S C 1.371 175.671 174.600 -0.499 0.000 1.007 468 S CA 1.420 59.233 58.200 -0.645 0.000 0.965 468 S CB -0.003 62.356 63.200 -1.401 0.000 0.773 468 S HN 0.407 nan 8.310 nan 0.000 0.504 469 N N 0.115 118.562 118.700 -0.421 0.000 2.471 469 N HA 0.193 4.933 4.740 -0.001 0.000 0.270 469 N C 0.687 175.978 175.510 -0.365 0.000 1.490 469 N CA 0.556 53.421 53.050 -0.308 0.000 0.850 469 N CB 0.561 38.969 38.487 -0.132 0.000 1.411 469 N HN 0.344 nan 8.380 nan 0.000 0.488 470 S N -2.145 113.305 115.700 -0.417 0.000 2.522 470 S HA 0.024 4.493 4.470 -0.001 0.000 0.227 470 S C 1.613 176.100 174.600 -0.189 0.000 0.986 470 S CA 0.517 58.435 58.200 -0.470 0.000 0.929 470 S CB -0.020 63.083 63.200 -0.161 0.000 0.769 470 S HN 0.126 nan 8.310 nan 0.000 0.529 471 S N 1.923 117.543 115.700 -0.134 0.000 2.447 471 S HA -0.016 4.454 4.470 -0.001 0.000 0.233 471 S C 1.175 175.756 174.600 -0.033 0.000 1.006 471 S CA 0.750 58.916 58.200 -0.057 0.000 0.957 471 S CB -0.334 62.837 63.200 -0.049 0.000 0.773 471 S HN 0.543 nan 8.310 nan 0.000 0.507 472 D N 1.204 121.572 120.400 -0.054 0.000 2.352 472 D HA 0.106 4.745 4.640 -0.001 0.000 0.232 472 D C 1.490 177.782 176.300 -0.015 0.000 1.055 472 D CA 0.075 54.061 54.000 -0.024 0.000 0.891 472 D CB -0.004 40.779 40.800 -0.028 0.000 0.897 472 D HN 0.347 nan 8.370 nan 0.000 0.529 473 L N 0.734 121.950 121.223 -0.011 0.000 2.081 473 L HA -0.187 4.152 4.340 -0.001 0.000 0.212 473 L C 2.536 179.429 176.870 0.037 0.000 1.080 473 L CA 1.153 56.019 54.840 0.042 0.000 0.754 473 L CB -0.198 41.912 42.059 0.085 0.000 0.893 473 L HN 0.018 nan 8.230 nan 0.000 0.433 474 E N -0.227 119.989 120.200 0.027 0.000 2.110 474 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 474 E C 1.954 178.571 176.600 0.028 0.000 0.988 474 E CA 1.857 58.274 56.400 0.028 0.000 0.804 474 E CB 0.032 29.747 29.700 0.025 0.000 0.745 474 E HN 0.445 nan 8.360 nan 0.000 0.458 475 T N 1.377 115.947 114.554 0.026 0.000 2.788 475 T HA -0.086 4.263 4.350 -0.001 0.000 0.268 475 T C 2.046 176.764 174.700 0.029 0.000 1.044 475 T CA 1.142 63.258 62.100 0.027 0.000 1.139 475 T CB -0.129 68.755 68.868 0.026 0.000 0.867 475 T HN 0.180 nan 8.240 nan 0.000 0.454 476 I N 1.160 121.748 120.570 0.030 0.000 2.226 476 I HA -0.171 3.998 4.170 -0.001 0.000 0.245 476 I C 2.885 179.026 176.117 0.040 0.000 1.100 476 I CA 1.057 62.379 61.300 0.037 0.000 1.374 476 I CB -0.415 37.613 38.000 0.046 0.000 1.057 476 I HN 0.199 nan 8.210 nan 0.000 0.413 477 A N 0.691 123.534 122.820 0.040 0.000 1.902 477 A HA -0.253 4.067 4.320 -0.001 0.000 0.217 477 A C 2.404 180.007 177.584 0.031 0.000 1.181 477 A CA 1.836 53.896 52.037 0.038 0.000 0.623 477 A CB -0.622 18.399 19.000 0.036 0.000 0.818 477 A HN 0.357 nan 8.150 nan 0.000 0.443 478 R N -0.379 120.138 120.500 0.028 0.000 2.081 478 R HA 0.003 4.342 4.340 -0.001 0.000 0.235 478 R C 1.637 177.949 176.300 0.020 0.000 1.131 478 R CA 1.492 57.606 56.100 0.023 0.000 0.960 478 R CB -0.338 29.975 30.300 0.023 0.000 0.856 478 R HN 0.495 nan 8.270 nan 0.000 0.436 479 L N 0.565 121.801 121.223 0.022 0.000 2.554 479 L HA 0.045 4.385 4.340 -0.001 0.000 0.226 479 L C 0.384 177.268 176.870 0.022 0.000 1.137 479 L CA 0.056 54.907 54.840 0.018 0.000 0.863 479 L CB -0.327 41.745 42.059 0.021 0.000 0.985 479 L HN 0.347 nan 8.230 nan 0.000 0.451 480 N N 1.047 119.764 118.700 0.028 0.000 2.725 480 N HA -0.207 4.532 4.740 -0.001 0.000 0.251 480 N C -0.662 174.870 175.510 0.037 0.000 1.031 480 N CA 0.454 53.523 53.050 0.033 0.000 0.720 480 N CB -1.249 37.255 38.487 0.027 0.000 0.930 480 N HN 0.248 nan 8.380 nan 0.000 0.543 481 L N 0.822 122.070 121.223 0.042 0.000 2.260 481 L HA 0.363 4.703 4.340 -0.001 0.000 0.289 481 L C -1.303 175.603 176.870 0.060 0.000 1.057 481 L CA -1.684 53.184 54.840 0.047 0.000 0.811 481 L CB 1.039 43.124 42.059 0.044 0.000 1.184 481 L HN 0.076 nan 8.230 nan 0.000 0.429 482 P HA 0.082 nan 4.420 nan 0.000 0.238 482 P C -0.032 177.335 177.300 0.111 0.000 1.714 482 P CA 0.091 63.241 63.100 0.083 0.000 0.908 482 P CB -0.349 31.394 31.700 0.072 0.000 1.893 483 I N 0.264 120.897 120.570 0.106 0.000 2.529 483 I HA 0.054 4.223 4.170 -0.001 0.000 0.284 483 I C 0.655 176.843 176.117 0.119 0.000 1.082 483 I CA -0.450 60.925 61.300 0.125 0.000 1.406 483 I CB 1.161 39.217 38.000 0.093 0.000 1.405 483 I HN -0.144 nan 8.210 nan 0.000 0.548 484 V N 5.673 125.660 119.914 0.122 0.000 2.350 484 V HA 0.264 4.383 4.120 -0.001 0.000 0.276 484 V C 0.174 176.224 176.094 -0.074 0.000 1.028 484 V CA -0.415 61.877 62.300 -0.012 0.000 0.860 484 V CB 1.029 32.692 31.823 -0.267 0.000 0.990 484 V HN 0.732 nan 8.190 nan 0.000 0.453 485 T N 4.760 119.255 114.554 -0.098 0.000 2.794 485 T HA 0.552 4.901 4.350 -0.001 0.000 0.280 485 T C -0.235 174.306 174.700 -0.265 0.000 0.987 485 T CA -0.354 61.652 62.100 -0.156 0.000 0.993 485 T CB 1.650 70.418 68.868 -0.168 0.000 0.939 485 T HN 0.340 nan 8.240 nan 0.000 0.449 486 V N 4.056 123.809 119.914 -0.268 0.000 2.357 486 V HA 0.355 4.474 4.120 -0.001 0.000 0.284 486 V C -0.088 175.742 176.094 -0.440 0.000 1.018 486 V CA -0.807 61.306 62.300 -0.311 0.000 0.841 486 V CB 1.566 33.260 31.823 -0.214 0.000 0.991 486 V HN 0.696 nan 8.190 nan 0.000 0.437 487 V N 6.179 125.749 119.914 -0.573 0.000 2.348 487 V HA 0.270 4.389 4.120 -0.001 0.000 0.270 487 V C 0.172 175.941 176.094 -0.542 0.000 1.037 487 V CA -0.554 61.299 62.300 -0.746 0.000 0.872 487 V CB 1.683 32.822 31.823 -1.140 0.000 1.002 487 V HN 0.744 nan 8.190 nan 0.000 0.464 488 V N 2.666 122.276 119.914 -0.506 0.000 2.368 488 V HA 0.555 4.674 4.120 -0.001 0.000 0.266 488 V C -0.014 175.902 176.094 -0.296 0.000 1.045 488 V CA -0.380 61.697 62.300 -0.371 0.000 0.899 488 V CB 1.106 32.724 31.823 -0.343 0.000 1.006 488 V HN 0.755 nan 8.190 nan 0.000 0.470 489 N N 4.940 123.517 118.700 -0.205 0.000 2.446 489 N HA 0.386 5.125 4.740 -0.001 0.000 0.265 489 N C 0.101 175.596 175.510 -0.025 0.000 0.975 489 N CA -0.463 52.543 53.050 -0.073 0.000 0.928 489 N CB 1.566 40.061 38.487 0.012 0.000 1.160 489 N HN 0.898 nan 8.380 nan 0.000 0.495 490 N N 2.253 120.988 118.700 0.058 0.000 2.291 490 N HA 0.080 4.820 4.740 -0.001 0.000 0.244 490 N C -0.997 174.602 175.510 0.148 0.000 1.216 490 N CA -0.207 52.881 53.050 0.063 0.000 0.879 490 N CB 0.003 38.512 38.487 0.037 0.000 1.167 490 N HN 0.442 nan 8.380 nan 0.000 0.515 491 D N -0.072 120.460 120.400 0.219 0.000 2.811 491 D HA -0.137 4.503 4.640 -0.001 0.000 0.231 491 D C -0.926 175.572 176.300 0.331 0.000 1.157 491 D CA 1.221 55.401 54.000 0.300 0.000 0.716 491 D CB -1.626 39.283 40.800 0.181 0.000 1.077 491 D HN 0.455 nan 8.370 nan 0.000 0.428 492 T N 0.105 114.882 114.554 0.371 0.000 2.942 492 T HA 0.197 4.547 4.350 -0.001 0.000 0.327 492 T C -0.098 174.781 174.700 0.298 0.000 1.360 492 T CA -0.816 61.391 62.100 0.179 0.000 1.055 492 T CB 1.475 70.446 68.868 0.171 0.000 1.261 492 T HN -0.169 nan 8.240 nan 0.000 0.485 493 N N 1.898 120.667 118.700 0.114 0.000 2.819 493 N HA 0.186 4.925 4.740 -0.001 0.000 0.284 493 N C 1.477 177.097 175.510 0.184 0.000 1.196 493 N CA 0.013 53.200 53.050 0.227 0.000 1.114 493 N CB 0.625 39.197 38.487 0.142 0.000 1.437 493 N HN 0.882 nan 8.380 nan 0.000 0.518 494 G N 1.635 110.599 108.800 0.273 0.000 2.459 494 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.217 494 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.217 494 G C 1.473 176.383 174.900 0.017 0.000 1.183 494 G CA 0.147 45.406 45.100 0.265 0.000 0.776 494 G HN 0.500 nan 8.290 nan 0.000 0.552 495 L N 0.282 121.503 121.223 -0.003 0.000 2.051 495 L HA -0.156 4.184 4.340 -0.001 0.000 0.214 495 L C 2.724 179.544 176.870 -0.084 0.000 1.076 495 L CA 1.295 56.062 54.840 -0.122 0.000 0.758 495 L CB -0.243 41.863 42.059 0.078 0.000 0.890 495 L HN 0.164 nan 8.230 nan 0.000 0.433 496 I N -0.508 120.075 120.570 0.021 0.000 2.286 496 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 496 I C 2.398 178.501 176.117 -0.023 0.000 1.104 496 I CA 1.112 62.439 61.300 0.045 0.000 1.397 496 I CB -1.354 36.665 38.000 0.032 0.000 1.072 496 I HN 0.365 nan 8.210 nan 0.000 0.417 497 E N 1.212 121.389 120.200 -0.039 0.000 2.118 497 E HA -0.221 4.129 4.350 -0.001 0.000 0.195 497 E C 2.397 178.828 176.600 -0.281 0.000 0.992 497 E CA 0.819 57.206 56.400 -0.023 0.000 0.804 497 E CB 0.043 29.852 29.700 0.181 0.000 0.741 497 E HN 0.379 nan 8.360 nan 0.000 0.458 498 L N 0.051 120.830 121.223 -0.741 0.000 2.012 498 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 498 L C 2.016 178.431 176.870 -0.758 0.000 1.073 498 L CA 1.726 55.788 54.840 -1.298 0.000 0.748 498 L CB -0.428 40.619 42.059 -1.686 0.000 0.891 498 L HN 0.292 nan 8.230 nan 0.000 0.431 499 Y N 0.566 120.589 120.300 -0.462 0.000 2.293 499 Y HA -0.238 4.311 4.550 -0.001 0.000 0.291 499 Y C 2.859 178.598 175.900 -0.268 0.000 1.137 499 Y CA 1.359 59.263 58.100 -0.328 0.000 1.202 499 Y CB -0.325 37.996 38.460 -0.233 0.000 0.990 499 Y HN 0.335 nan 8.280 nan 0.000 0.537 500 Q N -0.176 119.594 119.800 -0.049 0.000 2.061 500 Q HA -0.220 4.120 4.340 -0.001 0.000 0.204 500 Q C 1.903 177.861 176.000 -0.071 0.000 0.984 500 Q CA 1.478 57.283 55.803 0.002 0.000 0.846 500 Q CB -0.270 28.509 28.738 0.067 0.000 0.902 500 Q HN 0.549 nan 8.270 nan 0.000 0.421 501 N N 0.449 119.072 118.700 -0.128 0.000 2.244 501 N HA -0.078 4.661 4.740 -0.001 0.000 0.183 501 N C 1.867 177.216 175.510 -0.269 0.000 1.016 501 N CA 0.883 53.856 53.050 -0.128 0.000 0.866 501 N CB -0.003 38.450 38.487 -0.056 0.000 0.980 501 N HN 0.253 nan 8.380 nan 0.000 0.430 502 I N 0.689 121.067 120.570 -0.320 0.000 2.226 502 I HA -0.157 4.012 4.170 -0.001 0.000 0.245 502 I C 2.455 178.324 176.117 -0.412 0.000 1.100 502 I CA 1.208 62.314 61.300 -0.324 0.000 1.374 502 I CB -0.397 37.421 38.000 -0.303 0.000 1.057 502 I HN 0.125 nan 8.210 nan 0.000 0.413 503 G N -0.749 107.786 108.800 -0.442 0.000 2.408 503 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.215 503 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.215 503 G C 1.261 175.724 174.900 -0.729 0.000 1.156 503 G CA 0.455 45.174 45.100 -0.634 0.000 0.793 503 G HN 0.408 nan 8.290 nan 0.000 0.535 504 H N -1.247 117.683 119.070 -0.234 0.000 3.398 504 H HA 0.169 4.724 4.556 -0.001 0.000 0.260 504 H C 0.277 175.580 175.328 -0.041 0.000 1.189 504 H CA -0.138 55.842 56.048 -0.114 0.000 1.145 504 H CB 0.194 29.930 29.762 -0.043 0.000 1.599 504 H HN 0.412 nan 8.280 nan 0.000 0.615 505 H N 0.842 119.961 119.070 0.083 0.000 2.776 505 H HA -0.184 4.371 4.556 -0.001 0.000 0.300 505 H C 0.565 175.948 175.328 0.092 0.000 1.161 505 H CA 1.429 57.521 56.048 0.073 0.000 1.147 505 H CB -1.095 28.703 29.762 0.061 0.000 1.366 505 H HN 0.595 nan 8.280 nan 0.000 0.397 506 R N -1.807 118.789 120.500 0.159 0.000 2.741 506 R HA 0.634 4.973 4.340 -0.001 0.000 0.274 506 R C -1.182 175.197 176.300 0.132 0.000 1.029 506 R CA -0.709 55.476 56.100 0.142 0.000 0.880 506 R CB 1.081 31.459 30.300 0.130 0.000 1.264 506 R HN -0.028 nan 8.270 nan 0.000 0.465 507 S N -0.479 115.298 115.700 0.129 0.000 2.722 507 S HA 0.410 4.879 4.470 -0.001 0.000 0.292 507 S C -1.093 173.606 174.600 0.165 0.000 1.135 507 S CA -0.534 57.744 58.200 0.130 0.000 1.003 507 S CB 0.814 64.082 63.200 0.112 0.000 1.067 507 S HN 0.661 nan 8.310 nan 0.000 0.546 508 H N 0.286 119.375 119.070 0.031 0.000 3.108 508 H HA 0.323 4.879 4.556 -0.001 0.000 0.301 508 H C -0.310 175.018 175.328 0.000 0.000 1.139 508 H CA -0.499 55.556 56.048 0.011 0.000 1.552 508 H CB 0.242 30.003 29.762 -0.001 0.000 1.663 508 H HN 0.437 nan 8.280 nan 0.000 0.517 509 D N 4.622 124.870 120.400 -0.253 0.000 2.133 509 D HA -0.128 4.512 4.640 -0.001 0.000 0.195 509 D C -0.777 175.386 176.300 -0.229 0.000 0.997 509 D CA 1.081 54.963 54.000 -0.196 0.000 0.840 509 D CB -0.908 39.800 40.800 -0.154 0.000 0.947 509 D HN 0.538 nan 8.370 nan 0.000 0.452 510 P HA -0.060 nan 4.420 nan 0.000 0.221 510 P C 0.804 178.070 177.300 -0.057 0.000 1.145 510 P CA 1.442 64.434 63.100 -0.180 0.000 0.795 510 P CB 0.004 31.598 31.700 -0.176 0.000 0.775 511 A N -1.131 121.688 122.820 -0.001 0.000 2.195 511 A HA 0.113 4.432 4.320 -0.001 0.000 0.210 511 A C 1.721 179.273 177.584 -0.053 0.000 1.165 511 A CA 1.183 53.237 52.037 0.027 0.000 0.806 511 A CB -0.534 18.528 19.000 0.104 0.000 0.847 511 A HN 0.203 nan 8.150 nan 0.000 0.482 512 V N -5.828 114.012 119.914 -0.124 0.000 3.359 512 V HA 0.351 4.471 4.120 -0.001 0.000 0.270 512 V C -0.070 175.773 176.094 -0.420 0.000 1.583 512 V CA -0.341 61.839 62.300 -0.201 0.000 1.019 512 V CB -0.073 31.709 31.823 -0.068 0.000 0.831 512 V HN 0.060 nan 8.190 nan 0.000 0.426 513 K N 1.468 121.652 120.400 -0.360 0.000 2.156 513 K HA 0.647 4.967 4.320 -0.001 0.000 0.271 513 K C -1.273 175.101 176.600 -0.377 0.000 0.995 513 K CA -0.273 55.820 56.287 -0.324 0.000 0.890 513 K CB 1.814 34.239 32.500 -0.126 0.000 1.073 513 K HN 0.284 nan 8.250 nan 0.000 0.454 514 F N -0.599 119.398 119.950 0.079 0.000 2.557 514 F HA 0.474 5.000 4.527 -0.001 0.000 0.336 514 F C 1.393 177.222 175.800 0.049 0.000 1.058 514 F CA -0.773 57.272 58.000 0.074 0.000 0.988 514 F CB 0.700 39.766 39.000 0.109 0.000 1.275 514 F HN 0.567 nan 8.300 nan 0.000 0.488 515 G N -0.564 108.391 108.800 0.258 0.000 2.563 515 G HA2 0.449 4.409 3.960 -0.001 0.000 0.283 515 G HA3 0.449 4.409 3.960 -0.001 0.000 0.283 515 G C -0.145 174.816 174.900 0.101 0.000 1.309 515 G CA -0.508 44.672 45.100 0.133 0.000 1.022 515 G HN 0.886 nan 8.290 nan 0.000 0.501 516 G N -1.570 107.248 108.800 0.030 0.000 2.378 516 G HA2 0.446 4.405 3.960 -0.001 0.000 0.255 516 G HA3 0.446 4.405 3.960 -0.001 0.000 0.255 516 G C -0.648 174.182 174.900 -0.117 0.000 1.270 516 G CA -0.098 44.988 45.100 -0.023 0.000 0.876 516 G HN 0.553 nan 8.290 nan 0.000 0.521 517 V N 2.997 122.766 119.914 -0.241 0.000 2.495 517 V HA 0.248 4.367 4.120 -0.001 0.000 0.298 517 V C -0.626 175.118 176.094 -0.583 0.000 1.031 517 V CA -0.897 61.077 62.300 -0.543 0.000 0.871 517 V CB 2.003 33.202 31.823 -1.039 0.000 0.988 517 V HN 0.750 nan 8.190 nan 0.000 0.432 518 D N 3.316 123.436 120.400 -0.467 0.000 2.479 518 D HA 0.272 4.911 4.640 -0.001 0.000 0.218 518 D C 0.606 176.692 176.300 -0.356 0.000 1.131 518 D CA -0.243 53.575 54.000 -0.304 0.000 0.916 518 D CB 0.624 41.316 40.800 -0.179 0.000 1.022 518 D HN 0.360 nan 8.370 nan 0.000 0.515 519 F N 1.937 121.785 119.950 -0.169 0.000 2.234 519 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 519 F C 2.389 178.091 175.800 -0.162 0.000 1.087 519 F CA 0.325 58.218 58.000 -0.178 0.000 1.340 519 F CB -0.313 38.542 39.000 -0.241 0.000 1.031 519 F HN 0.264 nan 8.300 nan 0.000 0.500 520 V N 0.126 120.027 119.914 -0.020 0.000 2.233 520 V HA -0.346 3.773 4.120 -0.001 0.000 0.247 520 V C 2.603 178.654 176.094 -0.072 0.000 1.050 520 V CA 2.059 64.310 62.300 -0.082 0.000 1.010 520 V CB -1.318 30.452 31.823 -0.089 0.000 0.637 520 V HN 0.361 nan 8.190 nan 0.000 0.444 521 A N -0.806 121.969 122.820 -0.074 0.000 1.969 521 A HA -0.160 4.160 4.320 -0.001 0.000 0.218 521 A C 2.138 179.688 177.584 -0.056 0.000 1.169 521 A CA 1.856 53.854 52.037 -0.066 0.000 0.635 521 A CB -0.513 18.443 19.000 -0.074 0.000 0.810 521 A HN 0.460 nan 8.150 nan 0.000 0.445 522 L N -0.279 120.902 121.223 -0.070 0.000 2.017 522 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 522 L C 2.783 179.670 176.870 0.029 0.000 1.073 522 L CA 2.066 56.888 54.840 -0.030 0.000 0.745 522 L CB -0.592 41.438 42.059 -0.047 0.000 0.894 522 L HN 0.345 nan 8.230 nan 0.000 0.432 523 A N -0.904 121.939 122.820 0.039 0.000 1.908 523 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 523 A C 2.198 179.784 177.584 0.005 0.000 1.181 523 A CA 2.101 54.157 52.037 0.032 0.000 0.627 523 A CB -0.675 18.306 19.000 -0.030 0.000 0.818 523 A HN 0.608 nan 8.150 nan 0.000 0.445 524 E N -0.563 119.627 120.200 -0.016 0.000 2.152 524 E HA 0.011 4.360 4.350 -0.001 0.000 0.192 524 E C 2.239 178.839 176.600 -0.000 0.000 0.983 524 E CA 0.657 57.050 56.400 -0.011 0.000 0.818 524 E CB -0.249 29.439 29.700 -0.021 0.000 0.758 524 E HN 0.620 nan 8.360 nan 0.000 0.467 525 A N 1.564 124.383 122.820 -0.002 0.000 1.978 525 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 525 A C 1.752 179.343 177.584 0.012 0.000 1.170 525 A CA 1.302 53.341 52.037 0.002 0.000 0.636 525 A CB -0.300 18.699 19.000 -0.002 0.000 0.810 525 A HN 0.173 nan 8.150 nan 0.000 0.448 526 N N -1.192 117.520 118.700 0.020 0.000 2.336 526 N HA 0.135 4.874 4.740 -0.001 0.000 0.189 526 N C 0.933 176.458 175.510 0.026 0.000 1.113 526 N CA 0.872 53.938 53.050 0.026 0.000 0.858 526 N CB 0.443 38.953 38.487 0.038 0.000 0.970 526 N HN 0.630 nan 8.380 nan 0.000 0.471 527 G N 0.695 109.508 108.800 0.022 0.000 2.142 527 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.225 527 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.225 527 G C -0.339 174.581 174.900 0.033 0.000 1.015 527 G CA -0.199 44.917 45.100 0.026 0.000 0.716 527 G HN 0.138 nan 8.290 nan 0.000 0.508 528 V N 0.960 120.891 119.914 0.028 0.000 2.378 528 V HA 0.412 4.532 4.120 -0.001 0.000 0.288 528 V C 0.077 176.173 176.094 0.004 0.000 1.016 528 V CA -1.129 61.188 62.300 0.029 0.000 0.840 528 V CB 1.607 33.444 31.823 0.022 0.000 0.994 528 V HN 0.260 nan 8.190 nan 0.000 0.431 529 D N 3.531 123.967 120.400 0.061 0.000 2.449 529 D HA 0.555 5.195 4.640 -0.001 0.000 0.236 529 D C 0.225 176.401 176.300 -0.207 0.000 1.149 529 D CA 0.788 54.835 54.000 0.079 0.000 0.878 529 D CB 1.288 42.282 40.800 0.324 0.000 1.198 529 D HN 0.894 nan 8.370 nan 0.000 0.446 530 A N 0.983 123.631 122.820 -0.286 0.000 2.609 530 A HA 0.753 5.072 4.320 -0.001 0.000 0.291 530 A C -0.604 176.758 177.584 -0.370 0.000 1.096 530 A CA -0.601 51.064 52.037 -0.619 0.000 0.684 530 A CB 2.242 21.021 19.000 -0.369 0.000 1.282 530 A HN 0.421 nan 8.150 nan 0.000 0.412 531 T N -0.647 113.669 114.554 -0.397 0.000 2.821 531 T HA 0.600 4.950 4.350 -0.001 0.000 0.306 531 T C -1.158 173.463 174.700 -0.132 0.000 1.313 531 T CA -0.533 61.485 62.100 -0.135 0.000 1.012 531 T CB 1.421 70.322 68.868 0.055 0.000 1.298 531 T HN 0.881 nan 8.240 nan 0.000 0.502 532 R N 1.229 121.685 120.500 -0.073 0.000 2.474 532 R HA 0.813 5.153 4.340 -0.001 0.000 0.295 532 R C -1.252 175.017 176.300 -0.051 0.000 0.980 532 R CA -0.485 55.573 56.100 -0.071 0.000 0.934 532 R CB 1.122 31.389 30.300 -0.055 0.000 1.101 532 R HN 0.692 nan 8.270 nan 0.000 0.469 533 A N 2.003 124.786 122.820 -0.063 0.000 2.398 533 A HA 0.359 4.678 4.320 -0.001 0.000 0.301 533 A C -0.010 177.539 177.584 -0.058 0.000 1.041 533 A CA -0.590 51.417 52.037 -0.049 0.000 0.711 533 A CB 1.706 20.678 19.000 -0.047 0.000 1.240 533 A HN 0.870 nan 8.150 nan 0.000 0.420 534 T N -1.671 112.856 114.554 -0.045 0.000 3.043 534 T HA 0.315 4.665 4.350 -0.001 0.000 0.272 534 T C 0.184 174.862 174.700 -0.036 0.000 0.990 534 T CA 0.421 62.494 62.100 -0.045 0.000 0.897 534 T CB -0.598 68.249 68.868 -0.036 0.000 1.111 534 T HN 0.989 nan 8.240 nan 0.000 0.529 535 N N -0.200 118.481 118.700 -0.032 0.000 3.039 535 N HA 0.408 5.147 4.740 -0.001 0.000 0.257 535 N C 0.347 175.843 175.510 -0.023 0.000 1.497 535 N CA -1.131 51.905 53.050 -0.023 0.000 0.861 535 N CB 0.977 39.454 38.487 -0.016 0.000 1.479 535 N HN -0.164 nan 8.380 nan 0.000 0.547 536 R N -0.239 120.252 120.500 -0.016 0.000 2.081 536 R HA -0.118 4.222 4.340 -0.001 0.000 0.235 536 R C 1.448 177.742 176.300 -0.010 0.000 1.131 536 R CA 1.818 57.910 56.100 -0.012 0.000 0.960 536 R CB -0.200 30.097 30.300 -0.005 0.000 0.856 536 R HN 0.793 nan 8.270 nan 0.000 0.436 537 E N 1.012 121.206 120.200 -0.010 0.000 2.051 537 E HA -0.220 4.129 4.350 -0.001 0.000 0.192 537 E C 1.668 178.263 176.600 -0.008 0.000 0.991 537 E CA 1.327 57.722 56.400 -0.008 0.000 0.799 537 E CB 0.133 29.828 29.700 -0.009 0.000 0.748 537 E HN 0.337 nan 8.360 nan 0.000 0.449 538 E N 0.068 120.262 120.200 -0.011 0.000 2.077 538 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 538 E C 2.135 178.730 176.600 -0.009 0.000 0.989 538 E CA 0.979 57.373 56.400 -0.009 0.000 0.800 538 E CB -0.065 29.627 29.700 -0.014 0.000 0.746 538 E HN 0.217 nan 8.360 nan 0.000 0.452 539 L N 0.782 121.995 121.223 -0.017 0.000 2.072 539 L HA -0.114 4.225 4.340 -0.001 0.000 0.205 539 L C 2.003 178.865 176.870 -0.014 0.000 1.079 539 L CA 1.398 56.224 54.840 -0.023 0.000 0.752 539 L CB -0.305 41.731 42.059 -0.037 0.000 0.906 539 L HN 0.109 nan 8.230 nan 0.000 0.436 540 L N -0.437 120.783 121.223 -0.006 0.000 2.042 540 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 540 L C 2.663 179.532 176.870 -0.002 0.000 1.076 540 L CA 1.361 56.203 54.840 0.004 0.000 0.749 540 L CB -0.890 41.175 42.059 0.009 0.000 0.893 540 L HN 0.406 nan 8.230 nan 0.000 0.432 541 A N -0.289 122.528 122.820 -0.006 0.000 1.898 541 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 541 A C 2.497 180.068 177.584 -0.022 0.000 1.181 541 A CA 1.656 53.685 52.037 -0.014 0.000 0.620 541 A CB -0.660 18.334 19.000 -0.010 0.000 0.819 541 A HN 0.414 nan 8.150 nan 0.000 0.442 542 A N -0.316 122.509 122.820 0.009 0.000 1.898 542 A HA 0.016 4.335 4.320 -0.001 0.000 0.216 542 A C 2.145 179.742 177.584 0.022 0.000 1.181 542 A CA 1.381 53.462 52.037 0.074 0.000 0.620 542 A CB -0.568 18.516 19.000 0.139 0.000 0.819 542 A HN 0.457 nan 8.150 nan 0.000 0.442 543 L N -1.131 120.074 121.223 -0.031 0.000 2.083 543 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 543 L C 2.852 179.670 176.870 -0.087 0.000 1.083 543 L CA 1.418 56.191 54.840 -0.113 0.000 0.752 543 L CB -0.374 41.621 42.059 -0.105 0.000 0.899 543 L HN 0.341 nan 8.230 nan 0.000 0.433 544 R N -0.248 120.223 120.500 -0.048 0.000 2.093 544 R HA -0.133 4.206 4.340 -0.001 0.000 0.224 544 R C 2.300 178.541 176.300 -0.098 0.000 1.101 544 R CA 0.920 57.001 56.100 -0.032 0.000 0.979 544 R CB -0.156 30.136 30.300 -0.015 0.000 0.877 544 R HN 0.236 nan 8.270 nan 0.000 0.441 545 K N 0.393 120.688 120.400 -0.176 0.000 2.026 545 K HA -0.117 4.203 4.320 -0.001 0.000 0.208 545 K C 2.040 178.370 176.600 -0.450 0.000 1.048 545 K CA 1.729 57.832 56.287 -0.307 0.000 0.929 545 K CB -0.282 31.986 32.500 -0.387 0.000 0.713 545 K HN 0.237 nan 8.250 nan 0.000 0.439 546 G N 0.215 108.696 108.800 -0.533 0.000 2.408 546 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.217 546 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.217 546 G C 1.559 176.381 174.900 -0.129 0.000 1.150 546 G CA 0.803 45.646 45.100 -0.427 0.000 0.776 546 G HN 0.443 nan 8.290 nan 0.000 0.542 547 A N 0.583 123.374 122.820 -0.048 0.000 1.969 547 A HA 0.075 4.395 4.320 -0.001 0.000 0.218 547 A C 2.004 179.614 177.584 0.044 0.000 1.169 547 A CA 1.699 53.797 52.037 0.102 0.000 0.635 547 A CB -0.164 18.965 19.000 0.215 0.000 0.810 547 A HN 0.418 nan 8.150 nan 0.000 0.445 548 E N -1.156 119.029 120.200 -0.024 0.000 2.476 548 E HA 0.170 4.520 4.350 -0.001 0.000 0.196 548 E C 1.266 177.836 176.600 -0.051 0.000 1.029 548 E CA -0.308 56.076 56.400 -0.027 0.000 0.896 548 E CB 0.233 29.912 29.700 -0.036 0.000 1.012 548 E HN 0.427 nan 8.360 nan 0.000 0.475 549 L N -0.015 121.160 121.223 -0.080 0.000 2.217 549 L HA 0.113 4.453 4.340 -0.001 0.000 0.211 549 L C 1.515 178.367 176.870 -0.029 0.000 1.107 549 L CA 1.744 56.530 54.840 -0.089 0.000 0.783 549 L CB -0.249 41.720 42.059 -0.149 0.000 0.919 549 L HN 0.268 nan 8.230 nan 0.000 0.442 550 G N -0.132 108.667 108.800 -0.002 0.000 2.153 550 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.252 550 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.252 550 G C 0.515 175.432 174.900 0.028 0.000 0.994 550 G CA 0.594 45.703 45.100 0.016 0.000 0.698 550 G HN 0.440 nan 8.290 nan 0.000 0.521 551 R N -0.432 120.091 120.500 0.038 0.000 2.739 551 R HA 0.443 4.783 4.340 -0.001 0.000 0.271 551 R C -2.733 173.623 176.300 0.092 0.000 1.010 551 R CA -1.877 54.258 56.100 0.059 0.000 0.897 551 R CB 2.288 32.624 30.300 0.059 0.000 1.236 551 R HN 0.034 nan 8.270 nan 0.000 0.466 552 P HA 0.048 nan 4.420 nan 0.000 0.268 552 P C -1.071 176.355 177.300 0.209 0.000 1.208 552 P CA 0.318 63.492 63.100 0.124 0.000 0.777 552 P CB 0.516 32.269 31.700 0.088 0.000 0.875 553 F N 1.812 121.751 119.950 -0.019 0.000 2.619 553 F HA 0.606 5.132 4.527 -0.001 0.000 0.308 553 F C -1.610 174.147 175.800 -0.072 0.000 1.097 553 F CA -1.088 56.885 58.000 -0.044 0.000 0.953 553 F CB 1.660 40.623 39.000 -0.061 0.000 1.287 553 F HN 0.171 nan 8.300 nan 0.000 0.446 554 L N 5.837 126.646 121.223 -0.690 0.000 2.401 554 L HA 0.743 5.083 4.340 -0.001 0.000 0.266 554 L C -1.658 174.807 176.870 -0.674 0.000 0.991 554 L CA -0.473 54.053 54.840 -0.524 0.000 0.818 554 L CB 1.868 43.721 42.059 -0.343 0.000 1.321 554 L HN 0.571 nan 8.230 nan 0.000 0.413 555 I N 3.702 124.010 120.570 -0.437 0.000 2.447 555 I HA 0.373 4.542 4.170 -0.001 0.000 0.287 555 I C -0.664 175.274 176.117 -0.298 0.000 1.023 555 I CA -0.450 60.656 61.300 -0.324 0.000 1.083 555 I CB 1.973 39.852 38.000 -0.200 0.000 1.245 555 I HN 0.581 nan 8.210 nan 0.000 0.434 556 E N 6.241 126.298 120.200 -0.238 0.000 2.197 556 E HA 0.575 4.924 4.350 -0.001 0.000 0.281 556 E C -1.601 174.898 176.600 -0.168 0.000 0.995 556 E CA -0.570 55.703 56.400 -0.213 0.000 0.808 556 E CB 1.744 31.384 29.700 -0.100 0.000 1.093 556 E HN 0.379 nan 8.360 nan 0.000 0.394 557 V N 6.920 126.721 119.914 -0.189 0.000 2.483 557 V HA 0.370 4.489 4.120 -0.001 0.000 0.297 557 V C -2.276 173.726 176.094 -0.153 0.000 1.027 557 V CA -1.901 60.305 62.300 -0.157 0.000 0.855 557 V CB 1.614 33.334 31.823 -0.171 0.000 0.995 557 V HN 0.728 nan 8.190 nan 0.000 0.424 558 P HA 0.303 nan 4.420 nan 0.000 0.271 558 P C -0.655 176.547 177.300 -0.164 0.000 1.216 558 P CA 0.186 63.217 63.100 -0.114 0.000 0.771 558 P CB 1.476 33.129 31.700 -0.078 0.000 0.864 559 V N 0.859 120.647 119.914 -0.210 0.000 3.167 559 V HA 0.713 4.833 4.120 -0.001 0.000 0.310 559 V C -0.827 175.060 176.094 -0.346 0.000 1.207 559 V CA -0.988 61.121 62.300 -0.318 0.000 1.059 559 V CB 2.170 33.724 31.823 -0.447 0.000 1.079 559 V HN 0.471 nan 8.190 nan 0.000 0.446 560 N N -1.155 117.274 118.700 -0.451 0.000 2.610 560 N HA 0.662 5.402 4.740 -0.001 0.000 0.264 560 N C -1.045 174.153 175.510 -0.521 0.000 1.348 560 N CA -0.529 52.269 53.050 -0.420 0.000 0.819 560 N CB 2.176 40.527 38.487 -0.226 0.000 1.521 560 N HN 0.738 nan 8.380 nan 0.000 0.497 561 Y N -0.092 120.162 120.300 -0.076 0.000 2.539 561 Y HA 0.238 4.787 4.550 -0.001 0.000 0.284 561 Y C 0.161 176.056 175.900 -0.007 0.000 1.134 561 Y CA 0.041 58.174 58.100 0.055 0.000 1.251 561 Y CB 0.278 38.933 38.460 0.326 0.000 1.260 561 Y HN 0.575 nan 8.280 nan 0.000 0.528 562 D N 1.059 121.393 120.400 -0.109 0.000 2.904 562 D HA -0.204 4.436 4.640 -0.001 0.000 0.231 562 D C -1.027 175.314 176.300 0.068 0.000 1.185 562 D CA 0.240 54.174 54.000 -0.111 0.000 0.783 562 D CB -1.291 39.509 40.800 -0.000 0.000 0.961 562 D HN 0.135 nan 8.370 nan 0.000 0.409 563 F N -0.525 119.595 119.950 0.284 0.000 2.371 563 F HA 0.535 5.062 4.527 -0.001 0.000 0.329 563 F C 0.875 176.828 175.800 0.255 0.000 1.107 563 F CA -1.046 57.142 58.000 0.314 0.000 1.137 563 F CB 0.493 39.582 39.000 0.148 0.000 1.214 563 F HN 0.043 nan 8.300 nan 0.000 0.536 564 Q N 2.172 122.325 119.800 0.588 0.000 2.462 564 Q HA 0.306 4.645 4.340 -0.001 0.000 0.247 564 Q C -2.256 174.015 176.000 0.453 0.000 1.044 564 Q CA -1.790 54.259 55.803 0.409 0.000 0.803 564 Q CB 1.347 30.254 28.738 0.281 0.000 1.190 564 Q HN 0.379 nan 8.270 nan 0.000 0.507 565 P HA -0.238 nan 4.420 nan 0.000 0.218 565 P C 1.273 178.732 177.300 0.265 0.000 1.150 565 P CA 1.581 64.811 63.100 0.217 0.000 0.841 565 P CB 0.172 31.941 31.700 0.115 0.000 0.784 566 G N -1.018 107.908 108.800 0.210 0.000 2.598 566 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.215 566 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.215 566 G C 1.421 176.358 174.900 0.062 0.000 1.131 566 G CA 0.639 45.821 45.100 0.135 0.000 0.785 566 G HN 0.423 nan 8.290 nan 0.000 0.539 567 G N -0.383 108.420 108.800 0.006 0.000 3.233 567 G HA2 0.289 4.248 3.960 -0.001 0.000 0.227 567 G HA3 0.289 4.248 3.960 -0.001 0.000 0.227 567 G C 0.270 174.913 174.900 -0.429 0.000 1.175 567 G CA -0.353 44.611 45.100 -0.226 0.000 0.781 567 G HN 0.295 nan 8.290 nan 0.000 0.542 568 F N 0.617 120.529 119.950 -0.063 0.000 2.850 568 F HA 0.308 4.834 4.527 -0.001 0.000 0.306 568 F C 2.018 177.725 175.800 -0.155 0.000 1.162 568 F CA -0.559 57.359 58.000 -0.136 0.000 1.327 568 F CB 0.919 39.790 39.000 -0.215 0.000 0.953 568 F HN 0.076 nan 8.300 nan 0.000 0.507 569 G N 0.169 108.963 108.800 -0.011 0.000 2.470 569 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.220 569 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.220 569 G C 1.832 176.700 174.900 -0.054 0.000 1.121 569 G CA 0.871 45.954 45.100 -0.029 0.000 0.766 569 G HN 0.427 nan 8.290 nan 0.000 0.553 570 A N 0.431 123.208 122.820 -0.071 0.000 2.121 570 A HA 0.202 4.522 4.320 -0.001 0.000 0.218 570 A C 2.252 179.770 177.584 -0.109 0.000 1.154 570 A CA 0.626 52.612 52.037 -0.084 0.000 0.679 570 A CB -0.224 18.729 19.000 -0.078 0.000 0.795 570 A HN 0.379 nan 8.150 nan 0.000 0.458 571 L N -0.204 120.939 121.223 -0.133 0.000 2.275 571 L HA -0.049 4.290 4.340 -0.001 0.000 0.215 571 L C 1.067 177.885 176.870 -0.087 0.000 1.119 571 L CA 0.175 54.915 54.840 -0.166 0.000 0.790 571 L CB -0.383 41.535 42.059 -0.235 0.000 0.919 571 L HN 0.247 nan 8.230 nan 0.000 0.443 572 S N 0.000 115.660 115.700 -0.066 0.000 2.498 572 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 572 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 572 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517