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 1htt_1_D DATA FIRST_RESID 4 DATA SEQUENCE NIQAIRGMND YLPGETAIWQ RIEGTLKNVL GSYGYSEIRL PIVEQTPLFK DATA SEQUENCE RAIGEVTDVV EKEMYTFEDR NGDSLTLRPE GTAGCVRAGI EHGLLYNQEQ DATA SEQUENCE RLWYIGPMFR HERPQKGRYR QFHQLGCEVF GLQGPDIDAE LIMLTARWWR DATA SEQUENCE ALGISEHVTL ELNSIGXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXDEES REHFAGLCKL LESAGIAYTV DATA SEQUENCE NQRLVRGLDY YNRTVFEWVT NXXXXQGTVC AGGRYDGLVE QLGGRATPAV DATA SEQUENCE GFAMGLERLV LLVQAVNPEF KADPVVDIYL VASGADTQSA AMALAERLRD DATA SEQUENCE ELPGVKLMTN HGGGNFKKQF ARADKWGARV AVVLGESEVA NGTAVVKDLR DATA SEQUENCE SGEQTAVAQD SVAAHLRTLL G 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.508 175.510 -0.004 0.000 1.280 4 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 4 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 5 I N 1.248 121.814 120.570 -0.005 0.000 2.499 5 I HA 0.363 4.545 4.170 0.020 0.000 0.296 5 I C 0.383 176.495 176.117 -0.008 0.000 0.992 5 I CA -0.308 60.989 61.300 -0.006 0.000 1.297 5 I CB 0.766 38.761 38.000 -0.008 0.000 1.410 5 I HN 0.304 nan 8.210 nan 0.000 0.507 6 Q N 2.828 122.624 119.800 -0.007 0.000 2.486 6 Q HA 0.739 5.091 4.340 0.020 0.000 0.274 6 Q C -0.614 175.378 176.000 -0.013 0.000 1.076 6 Q CA -1.097 54.700 55.803 -0.010 0.000 0.872 6 Q CB 1.592 30.327 28.738 -0.005 0.000 1.383 6 Q HN 0.689 nan 8.270 nan 0.000 0.478 7 A N 0.903 123.711 122.820 -0.019 0.000 2.371 7 A HA 0.364 4.696 4.320 0.020 0.000 0.257 7 A C 0.103 177.682 177.584 -0.009 0.000 1.089 7 A CA -0.485 51.537 52.037 -0.026 0.000 0.794 7 A CB 0.091 19.062 19.000 -0.049 0.000 1.029 7 A HN 0.513 nan 8.150 nan 0.000 0.488 8 I N 1.838 122.407 120.570 -0.003 0.000 2.668 8 I HA 0.002 4.184 4.170 0.020 0.000 0.285 8 I C 1.172 177.304 176.117 0.025 0.000 1.168 8 I CA 0.317 61.631 61.300 0.023 0.000 1.424 8 I CB -0.258 37.763 38.000 0.035 0.000 1.377 8 I HN 0.843 nan 8.210 nan 0.000 0.560 9 R N 5.480 126.002 120.500 0.037 0.000 2.523 9 R HA 0.113 4.465 4.340 0.020 0.000 0.281 9 R C 1.022 177.355 176.300 0.056 0.000 0.969 9 R CA 1.174 57.298 56.100 0.040 0.000 1.093 9 R CB -0.245 30.079 30.300 0.040 0.000 0.917 9 R HN 0.945 nan 8.270 nan 0.000 0.408 10 G N 3.341 112.188 108.800 0.079 0.000 2.143 10 G HA2 -0.290 3.682 3.960 0.020 0.000 0.248 10 G HA3 -0.290 3.682 3.960 0.020 0.000 0.248 10 G C -0.134 174.829 174.900 0.105 0.000 0.991 10 G CA 0.486 45.678 45.100 0.152 0.000 0.689 10 G HN 0.540 nan 8.290 nan 0.000 0.522 11 M N 1.209 120.814 119.600 0.008 0.000 2.134 11 M HA 0.331 4.823 4.480 0.020 0.000 0.310 11 M C -0.489 175.708 176.300 -0.171 0.000 0.966 11 M CA -0.643 54.615 55.300 -0.070 0.000 0.922 11 M CB 1.386 33.961 32.600 -0.041 0.000 1.537 11 M HN 0.120 nan 8.290 nan 0.000 0.424 12 N N 2.429 120.932 118.700 -0.328 0.000 2.487 12 N HA 0.355 5.108 4.740 0.020 0.000 0.292 12 N C -1.306 173.780 175.510 -0.707 0.000 1.108 12 N CA -0.502 52.222 53.050 -0.543 0.000 0.956 12 N CB 1.510 39.500 38.487 -0.829 0.000 1.176 12 N HN 0.565 nan 8.380 nan 0.000 0.484 13 D N 1.042 121.092 120.400 -0.583 0.000 2.175 13 D HA 0.248 4.900 4.640 0.020 0.000 0.248 13 D C -0.625 175.311 176.300 -0.606 0.000 1.047 13 D CA 0.065 53.771 54.000 -0.489 0.000 0.883 13 D CB 1.110 41.771 40.800 -0.232 0.000 1.180 13 D HN 0.365 nan 8.370 nan 0.000 0.438 14 Y N 1.319 121.510 120.300 -0.181 0.000 2.345 14 Y HA 0.190 4.753 4.550 0.021 0.000 0.331 14 Y C 0.196 176.016 175.900 -0.132 0.000 0.959 14 Y CA -0.990 56.983 58.100 -0.212 0.000 1.204 14 Y CB 0.839 39.028 38.460 -0.452 0.000 1.135 14 Y HN 0.075 nan 8.280 nan 0.000 0.477 15 L N 5.684 126.942 121.223 0.058 0.000 2.466 15 L HA 0.228 4.580 4.340 0.020 0.000 0.257 15 L C -0.937 175.973 176.870 0.066 0.000 1.189 15 L CA -2.406 52.460 54.840 0.044 0.000 0.813 15 L CB 0.203 42.284 42.059 0.037 0.000 1.118 15 L HN 0.344 nan 8.230 nan 0.000 0.471 16 P HA -0.174 nan 4.420 nan 0.000 0.216 16 P C 1.431 178.790 177.300 0.099 0.000 1.154 16 P CA 1.870 65.021 63.100 0.084 0.000 0.865 16 P CB 0.144 31.907 31.700 0.104 0.000 0.789 17 G N -0.094 108.764 108.800 0.097 0.000 2.440 17 G HA2 -0.274 3.698 3.960 0.020 0.000 0.218 17 G HA3 -0.274 3.698 3.960 0.020 0.000 0.218 17 G C 1.669 176.645 174.900 0.127 0.000 1.154 17 G CA 0.933 46.093 45.100 0.101 0.000 0.767 17 G HN 0.286 nan 8.290 nan 0.000 0.552 18 E N 0.239 120.528 120.200 0.148 0.000 2.230 18 E HA -0.025 4.337 4.350 0.020 0.000 0.192 18 E C 2.759 179.540 176.600 0.301 0.000 0.987 18 E CA 1.281 57.816 56.400 0.225 0.000 0.841 18 E CB -0.218 29.626 29.700 0.241 0.000 0.783 18 E HN 0.469 nan 8.360 nan 0.000 0.481 19 T N -2.013 112.641 114.554 0.166 0.000 2.904 19 T HA 0.010 4.372 4.350 0.020 0.000 0.267 19 T C 2.023 176.832 174.700 0.182 0.000 1.059 19 T CA 0.928 63.097 62.100 0.116 0.000 1.137 19 T CB -0.403 68.472 68.868 0.010 0.000 0.879 19 T HN 0.137 nan 8.240 nan 0.000 0.467 20 A N 2.573 125.483 122.820 0.149 0.000 1.903 20 A HA -0.058 4.274 4.320 0.020 0.000 0.219 20 A C 2.399 180.077 177.584 0.157 0.000 1.191 20 A CA 1.877 53.992 52.037 0.131 0.000 0.638 20 A CB -0.828 18.239 19.000 0.112 0.000 0.823 20 A HN 0.542 nan 8.150 nan 0.000 0.451 21 I N -2.446 118.237 120.570 0.188 0.000 2.226 21 I HA -0.232 3.950 4.170 0.020 0.000 0.245 21 I C 2.378 178.575 176.117 0.133 0.000 1.100 21 I CA 0.880 62.289 61.300 0.182 0.000 1.374 21 I CB -1.842 36.233 38.000 0.124 0.000 1.057 21 I HN 0.524 nan 8.210 nan 0.000 0.413 22 W N 2.136 123.421 121.300 -0.025 0.000 2.335 22 W HA -0.229 4.444 4.660 0.022 0.000 0.311 22 W C 2.947 179.431 176.519 -0.058 0.000 1.213 22 W CA 1.862 59.152 57.345 -0.092 0.000 1.274 22 W CB -0.557 28.800 29.460 -0.173 0.000 1.148 22 W HN 0.337 nan 8.180 nan 0.000 0.498 23 Q N -0.162 119.766 119.800 0.215 0.000 2.291 23 Q HA -0.128 4.225 4.340 0.020 0.000 0.205 23 Q C 2.056 178.112 176.000 0.095 0.000 0.970 23 Q CA 1.258 57.137 55.803 0.127 0.000 0.876 23 Q CB -0.663 28.134 28.738 0.099 0.000 0.935 23 Q HN 0.361 nan 8.270 nan 0.000 0.455 24 R N 1.029 121.599 120.500 0.118 0.000 2.073 24 R HA 0.016 4.368 4.340 0.020 0.000 0.229 24 R C 2.159 178.541 176.300 0.137 0.000 1.120 24 R CA 1.012 57.189 56.100 0.128 0.000 0.967 24 R CB -0.047 30.362 30.300 0.181 0.000 0.862 24 R HN 0.276 nan 8.270 nan 0.000 0.436 25 I N 0.534 121.152 120.570 0.080 0.000 2.315 25 I HA -0.211 3.971 4.170 0.020 0.000 0.248 25 I C 1.818 177.866 176.117 -0.115 0.000 1.117 25 I CA 1.351 62.611 61.300 -0.067 0.000 1.404 25 I CB -0.189 37.637 38.000 -0.290 0.000 1.071 25 I HN 0.267 nan 8.210 nan 0.000 0.419 26 E N 0.845 121.004 120.200 -0.068 0.000 2.106 26 E HA -0.144 4.218 4.350 0.020 0.000 0.192 26 E C 2.336 178.889 176.600 -0.078 0.000 0.984 26 E CA 1.144 57.497 56.400 -0.080 0.000 0.806 26 E CB -0.336 29.371 29.700 0.012 0.000 0.750 26 E HN 0.576 nan 8.360 nan 0.000 0.458 27 G N 0.822 109.611 108.800 -0.020 0.000 2.440 27 G HA2 -0.282 3.691 3.960 0.020 0.000 0.218 27 G HA3 -0.282 3.691 3.960 0.020 0.000 0.218 27 G C 1.638 176.522 174.900 -0.026 0.000 1.154 27 G CA 1.379 46.474 45.100 -0.007 0.000 0.767 27 G HN 0.189 nan 8.290 nan 0.000 0.552 28 T N 1.476 116.014 114.554 -0.026 0.000 2.746 28 T HA -0.034 4.328 4.350 0.020 0.000 0.267 28 T C 2.431 177.091 174.700 -0.067 0.000 1.039 28 T CA 0.981 63.071 62.100 -0.015 0.000 1.142 28 T CB -0.203 68.676 68.868 0.018 0.000 0.866 28 T HN 0.172 nan 8.240 nan 0.000 0.444 29 L N 0.435 121.525 121.223 -0.221 0.000 2.046 29 L HA -0.056 4.296 4.340 0.020 0.000 0.208 29 L C 2.713 179.467 176.870 -0.193 0.000 1.077 29 L CA 1.330 55.922 54.840 -0.413 0.000 0.747 29 L CB -0.472 41.137 42.059 -0.749 0.000 0.896 29 L HN 0.172 nan 8.230 nan 0.000 0.432 30 K N 0.303 120.550 120.400 -0.255 0.000 2.097 30 K HA -0.214 4.118 4.320 0.020 0.000 0.205 30 K C 1.983 178.514 176.600 -0.116 0.000 1.050 30 K CA 1.538 57.636 56.287 -0.315 0.000 0.938 30 K CB -0.015 32.367 32.500 -0.196 0.000 0.718 30 K HN 0.183 nan 8.250 nan 0.000 0.442 31 N N 0.216 118.899 118.700 -0.029 0.000 2.106 31 N HA -0.137 4.615 4.740 0.020 0.000 0.188 31 N C 1.455 176.998 175.510 0.055 0.000 1.029 31 N CA 1.609 54.675 53.050 0.027 0.000 0.848 31 N CB -0.175 38.330 38.487 0.030 0.000 1.007 31 N HN -0.041 nan 8.380 nan 0.000 0.423 32 V N 0.823 120.797 119.914 0.100 0.000 2.490 32 V HA -0.152 3.980 4.120 0.020 0.000 0.250 32 V C 2.351 178.511 176.094 0.110 0.000 1.061 32 V CA 1.168 63.557 62.300 0.149 0.000 1.064 32 V CB -0.604 31.377 31.823 0.265 0.000 0.670 32 V HN 0.301 nan 8.190 nan 0.000 0.461 33 L N 0.533 121.773 121.223 0.028 0.000 2.072 33 L HA -0.010 4.342 4.340 0.020 0.000 0.205 33 L C 2.690 179.582 176.870 0.036 0.000 1.079 33 L CA 1.717 56.490 54.840 -0.113 0.000 0.752 33 L CB -1.080 40.774 42.059 -0.342 0.000 0.906 33 L HN 0.426 nan 8.230 nan 0.000 0.436 34 G N -0.379 108.477 108.800 0.092 0.000 2.442 34 G HA2 -0.303 3.669 3.960 0.020 0.000 0.219 34 G HA3 -0.303 3.669 3.960 0.020 0.000 0.219 34 G C 1.738 176.703 174.900 0.109 0.000 1.141 34 G CA 1.066 46.259 45.100 0.154 0.000 0.763 34 G HN 0.508 nan 8.290 nan 0.000 0.554 35 S N -0.628 115.116 115.700 0.073 0.000 2.474 35 S HA -0.027 4.456 4.470 0.020 0.000 0.235 35 S C 1.823 176.363 174.600 -0.100 0.000 0.997 35 S CA 0.709 58.900 58.200 -0.015 0.000 0.949 35 S CB -0.438 62.723 63.200 -0.065 0.000 0.766 35 S HN 0.426 nan 8.310 nan 0.000 0.517 36 Y N 1.718 121.920 120.300 -0.164 0.000 2.466 36 Y HA 0.411 4.973 4.550 0.021 0.000 0.272 36 Y C 1.851 177.723 175.900 -0.047 0.000 1.169 36 Y CA -0.337 57.629 58.100 -0.223 0.000 1.285 36 Y CB -0.121 37.986 38.460 -0.588 0.000 1.078 36 Y HN 0.405 nan 8.280 nan 0.000 0.523 37 G N -0.708 108.216 108.800 0.207 0.000 2.137 37 G HA2 -0.294 3.678 3.960 0.020 0.000 0.237 37 G HA3 -0.294 3.678 3.960 0.020 0.000 0.237 37 G C -0.467 174.712 174.900 0.464 0.000 1.002 37 G CA -0.421 44.846 45.100 0.278 0.000 0.702 37 G HN 0.157 nan 8.290 nan 0.000 0.515 38 Y N 1.329 121.774 120.300 0.242 0.000 2.316 38 Y HA 0.611 5.173 4.550 0.020 0.000 0.331 38 Y C 1.042 177.149 175.900 0.345 0.000 1.083 38 Y CA -1.307 56.971 58.100 0.296 0.000 1.206 38 Y CB 1.452 40.143 38.460 0.384 0.000 1.195 38 Y HN 0.131 nan 8.280 nan 0.000 0.497 39 S N 2.148 118.005 115.700 0.261 0.000 2.617 39 S HA 0.226 4.708 4.470 0.020 0.000 0.283 39 S C -0.178 174.206 174.600 -0.360 0.000 1.189 39 S CA -0.999 57.233 58.200 0.052 0.000 1.036 39 S CB 1.154 64.367 63.200 0.022 0.000 1.014 39 S HN 0.618 nan 8.310 nan 0.000 0.522 40 E N 1.216 121.092 120.200 -0.541 0.000 2.331 40 E HA 0.483 4.845 4.350 0.020 0.000 0.272 40 E C -1.130 175.196 176.600 -0.457 0.000 1.036 40 E CA -0.293 55.518 56.400 -0.982 0.000 0.864 40 E CB 0.674 29.827 29.700 -0.912 0.000 1.035 40 E HN 0.509 nan 8.360 nan 0.000 0.408 41 I N 3.164 123.522 120.570 -0.354 0.000 2.647 41 I HA 0.396 4.578 4.170 0.020 0.000 0.295 41 I C -1.060 175.007 176.117 -0.083 0.000 1.078 41 I CA -0.827 60.386 61.300 -0.144 0.000 1.048 41 I CB 1.359 39.334 38.000 -0.042 0.000 1.239 41 I HN 0.533 nan 8.210 nan 0.000 0.421 42 R N 7.154 127.617 120.500 -0.062 0.000 2.437 42 R HA 0.732 5.084 4.340 0.020 0.000 0.310 42 R C -1.544 174.745 176.300 -0.019 0.000 0.955 42 R CA -0.590 55.496 56.100 -0.024 0.000 0.851 42 R CB 1.857 32.142 30.300 -0.025 0.000 1.161 42 R HN 0.494 nan 8.270 nan 0.000 0.446 43 L N 3.028 124.244 121.223 -0.012 0.000 2.354 43 L HA 0.588 4.940 4.340 0.020 0.000 0.264 43 L C -2.122 174.749 176.870 0.002 0.000 1.008 43 L CA -2.401 52.430 54.840 -0.015 0.000 0.819 43 L CB 1.885 43.914 42.059 -0.048 0.000 1.339 43 L HN 0.356 nan 8.230 nan 0.000 0.420 44 P HA 0.173 nan 4.420 nan 0.000 0.267 44 P C 0.667 177.998 177.300 0.052 0.000 1.200 44 P CA -0.163 62.956 63.100 0.032 0.000 0.772 44 P CB 0.800 32.518 31.700 0.030 0.000 0.855 45 I N 0.374 120.981 120.570 0.061 0.000 2.500 45 I HA -0.053 4.129 4.170 0.020 0.000 0.252 45 I C 0.444 176.616 176.117 0.092 0.000 1.142 45 I CA 0.849 62.199 61.300 0.083 0.000 1.451 45 I CB 0.055 38.098 38.000 0.072 0.000 1.093 45 I HN 0.075 nan 8.210 nan 0.000 0.430 46 V N 2.302 122.266 119.914 0.083 0.000 2.417 46 V HA 0.346 4.479 4.120 0.020 0.000 0.291 46 V C -0.099 176.044 176.094 0.082 0.000 1.024 46 V CA -0.565 61.798 62.300 0.105 0.000 0.861 46 V CB 1.737 33.624 31.823 0.107 0.000 0.985 46 V HN 0.096 nan 8.190 nan 0.000 0.436 47 E N 2.117 122.382 120.200 0.109 0.000 2.404 47 E HA 0.451 4.813 4.350 0.020 0.000 0.264 47 E C -0.916 175.614 176.600 -0.116 0.000 0.946 47 E CA -0.952 55.417 56.400 -0.052 0.000 0.806 47 E CB 1.592 31.161 29.700 -0.219 0.000 1.334 47 E HN 0.592 nan 8.360 nan 0.000 0.429 48 Q N 0.619 120.293 119.800 -0.210 0.000 2.314 48 Q HA 0.147 4.499 4.340 0.020 0.000 0.258 48 Q C 0.799 176.664 176.000 -0.226 0.000 0.954 48 Q CA 0.149 55.837 55.803 -0.192 0.000 0.890 48 Q CB 0.582 29.215 28.738 -0.176 0.000 1.210 48 Q HN 0.505 nan 8.270 nan 0.000 0.410 49 T N 3.000 117.489 114.554 -0.108 0.000 2.737 49 T HA -0.115 4.248 4.350 0.020 0.000 0.269 49 T C -0.981 173.689 174.700 -0.050 0.000 1.040 49 T CA 1.239 63.336 62.100 -0.006 0.000 1.142 49 T CB -0.927 67.949 68.868 0.014 0.000 0.861 49 T HN 0.575 nan 8.240 nan 0.000 0.456 50 P HA -0.051 nan 4.420 nan 0.000 0.218 50 P C 1.785 179.015 177.300 -0.116 0.000 1.148 50 P CA 0.745 63.798 63.100 -0.079 0.000 0.822 50 P CB -0.229 31.423 31.700 -0.079 0.000 0.784 51 L N -1.633 119.437 121.223 -0.255 0.000 2.042 51 L HA -0.187 4.165 4.340 0.020 0.000 0.210 51 L C 2.427 179.150 176.870 -0.245 0.000 1.076 51 L CA 1.976 56.616 54.840 -0.334 0.000 0.749 51 L CB -0.582 41.120 42.059 -0.595 0.000 0.893 51 L HN -0.115 nan 8.230 nan 0.000 0.432 52 F N 0.197 120.156 119.950 0.014 0.000 2.234 52 F HA -0.107 4.430 4.527 0.016 0.000 0.296 52 F C 2.484 178.306 175.800 0.037 0.000 1.089 52 F CA 0.915 58.937 58.000 0.035 0.000 1.343 52 F CB -0.620 38.405 39.000 0.042 0.000 1.040 52 F HN -0.039 nan 8.300 nan 0.000 0.498 53 K N -0.074 120.431 120.400 0.174 0.000 2.057 53 K HA -0.136 4.197 4.320 0.020 0.000 0.207 53 K C 2.284 178.930 176.600 0.077 0.000 1.049 53 K CA 1.169 57.520 56.287 0.106 0.000 0.931 53 K CB -0.167 32.370 32.500 0.061 0.000 0.714 53 K HN 0.080 nan 8.250 nan 0.000 0.440 54 R N 0.159 120.688 120.500 0.048 0.000 2.093 54 R HA -0.006 4.346 4.340 0.020 0.000 0.224 54 R C 2.151 178.490 176.300 0.066 0.000 1.101 54 R CA 1.147 57.268 56.100 0.035 0.000 0.979 54 R CB -0.001 30.298 30.300 -0.002 0.000 0.877 54 R HN 0.190 nan 8.270 nan 0.000 0.441 55 A N 0.596 123.472 122.820 0.093 0.000 1.861 55 A HA -0.001 4.331 4.320 0.020 0.000 0.212 55 A C 2.014 179.758 177.584 0.266 0.000 1.199 55 A CA 0.700 52.828 52.037 0.152 0.000 0.613 55 A CB -0.264 18.809 19.000 0.121 0.000 0.846 55 A HN 0.207 nan 8.150 nan 0.000 0.446 56 I N -0.824 119.890 120.570 0.240 0.000 2.353 56 I HA 0.174 4.356 4.170 0.020 0.000 0.248 56 I C 1.183 177.335 176.117 0.059 0.000 1.119 56 I CA 1.041 62.436 61.300 0.159 0.000 1.417 56 I CB -0.329 37.758 38.000 0.145 0.000 1.078 56 I HN 0.488 nan 8.210 nan 0.000 0.421 57 G N 1.036 109.883 108.800 0.079 0.000 3.014 57 G HA2 -0.101 3.871 3.960 0.020 0.000 0.683 57 G HA3 -0.101 3.871 3.960 0.020 0.000 0.683 57 G C -0.008 174.918 174.900 0.044 0.000 1.271 57 G CA -0.638 44.491 45.100 0.048 0.000 0.843 57 G HN 0.183 nan 8.290 nan 0.000 0.612 58 E N -0.443 119.779 120.200 0.038 0.000 2.106 58 E HA -0.095 4.268 4.350 0.020 0.000 0.192 58 E C 1.971 178.585 176.600 0.024 0.000 0.984 58 E CA 1.728 58.148 56.400 0.032 0.000 0.806 58 E CB 0.054 29.769 29.700 0.025 0.000 0.750 58 E HN 0.976 nan 8.360 nan 0.000 0.458 59 V N 0.859 120.784 119.914 0.018 0.000 2.112 59 V HA 0.240 4.373 4.120 0.020 0.000 0.271 59 V C -0.133 175.967 176.094 0.010 0.000 1.465 59 V CA -0.313 61.995 62.300 0.013 0.000 1.419 59 V CB -0.513 31.316 31.823 0.010 0.000 1.409 59 V HN 0.057 nan 8.190 nan 0.000 0.495 60 T N -2.336 112.225 114.554 0.012 0.000 2.909 60 T HA 0.462 4.825 4.350 0.020 0.000 0.299 60 T C 0.199 174.905 174.700 0.011 0.000 1.073 60 T CA -0.335 61.769 62.100 0.007 0.000 0.999 60 T CB 2.079 70.948 68.868 0.003 0.000 1.098 60 T HN 0.214 nan 8.240 nan 0.000 0.477 61 D N 0.671 121.076 120.400 0.008 0.000 2.218 61 D HA -0.066 4.586 4.640 0.020 0.000 0.204 61 D C 2.072 178.383 176.300 0.019 0.000 0.976 61 D CA 1.019 55.026 54.000 0.011 0.000 0.853 61 D CB -0.035 40.769 40.800 0.007 0.000 0.939 61 D HN 0.431 nan 8.370 nan 0.000 0.481 62 V N -0.292 119.635 119.914 0.022 0.000 2.237 62 V HA -0.212 3.920 4.120 0.020 0.000 0.245 62 V C 2.366 178.481 176.094 0.034 0.000 1.046 62 V CA 1.217 63.537 62.300 0.033 0.000 1.007 62 V CB -0.488 31.354 31.823 0.031 0.000 0.638 62 V HN 0.111 nan 8.190 nan 0.000 0.445 63 V N -0.535 119.401 119.914 0.037 0.000 2.346 63 V HA -0.177 3.955 4.120 0.020 0.000 0.244 63 V C 2.391 178.503 176.094 0.030 0.000 1.037 63 V CA 1.681 64.009 62.300 0.047 0.000 1.029 63 V CB -0.623 31.237 31.823 0.061 0.000 0.663 63 V HN 0.550 nan 8.190 nan 0.000 0.454 64 E N 0.749 120.961 120.200 0.020 0.000 2.097 64 E HA -0.244 4.119 4.350 0.020 0.000 0.196 64 E C 1.735 178.335 176.600 0.001 0.000 1.000 64 E CA 1.769 58.175 56.400 0.010 0.000 0.804 64 E CB 0.003 29.707 29.700 0.007 0.000 0.740 64 E HN 0.728 nan 8.360 nan 0.000 0.454 65 K N -1.601 118.801 120.400 0.003 0.000 2.585 65 K HA 0.200 4.533 4.320 0.020 0.000 0.210 65 K C 0.722 177.319 176.600 -0.005 0.000 1.294 65 K CA -0.009 56.272 56.287 -0.010 0.000 1.025 65 K CB 0.614 33.111 32.500 -0.005 0.000 1.076 65 K HN -0.126 nan 8.250 nan 0.000 0.613 66 E N 0.910 121.123 120.200 0.021 0.000 2.434 66 E HA 0.277 4.639 4.350 0.020 0.000 0.207 66 E C 0.074 176.713 176.600 0.065 0.000 0.929 66 E CA -0.087 56.350 56.400 0.061 0.000 1.001 66 E CB 0.471 30.226 29.700 0.091 0.000 1.016 66 E HN 0.209 nan 8.360 nan 0.000 0.502 67 M N 0.759 120.383 119.600 0.040 0.000 2.240 67 M HA 0.129 4.621 4.480 0.020 0.000 0.333 67 M C -0.668 175.663 176.300 0.053 0.000 1.110 67 M CA 0.247 55.593 55.300 0.077 0.000 1.173 67 M CB 0.328 32.966 32.600 0.063 0.000 1.458 67 M HN -0.037 nan 8.290 nan 0.000 0.458 68 Y N 1.161 121.526 120.300 0.108 0.000 2.595 68 Y HA 0.261 4.816 4.550 0.009 0.000 0.336 68 Y C 0.182 176.178 175.900 0.161 0.000 0.996 68 Y CA -0.236 57.940 58.100 0.126 0.000 1.260 68 Y CB 0.610 39.130 38.460 0.100 0.000 1.108 68 Y HN 0.538 nan 8.280 nan 0.000 0.509 69 T N 5.082 119.775 114.554 0.232 0.000 2.925 69 T HA 0.717 5.080 4.350 0.020 0.000 0.285 69 T C -0.888 173.976 174.700 0.273 0.000 1.021 69 T CA -0.545 61.664 62.100 0.182 0.000 1.042 69 T CB 1.023 69.938 68.868 0.078 0.000 1.037 69 T HN 0.395 nan 8.240 nan 0.000 0.481 70 F N -1.286 118.689 119.950 0.040 0.000 2.713 70 F HA 0.670 5.200 4.527 0.005 0.000 0.311 70 F C -1.069 174.740 175.800 0.015 0.000 1.141 70 F CA -1.286 56.730 58.000 0.025 0.000 0.939 70 F CB 1.337 40.353 39.000 0.026 0.000 1.325 70 F HN 0.445 nan 8.300 nan 0.000 0.453 71 E N 1.570 121.839 120.200 0.115 0.000 2.156 71 E HA 0.222 4.584 4.350 0.020 0.000 0.279 71 E C -1.459 175.167 176.600 0.045 0.000 0.965 71 E CA -0.667 55.730 56.400 -0.005 0.000 0.789 71 E CB 1.433 31.150 29.700 0.028 0.000 1.098 71 E HN 0.722 nan 8.360 nan 0.000 0.397 72 D N 1.962 122.330 120.400 -0.053 0.000 2.358 72 D HA 0.055 4.707 4.640 0.020 0.000 0.244 72 D C 0.657 176.975 176.300 0.029 0.000 1.163 72 D CA -0.049 53.956 54.000 0.009 0.000 0.945 72 D CB 0.825 41.592 40.800 -0.055 0.000 1.152 72 D HN 0.331 nan 8.370 nan 0.000 0.451 73 R N 0.932 121.459 120.500 0.045 0.000 2.395 73 R HA -0.082 4.270 4.340 0.020 0.000 0.202 73 R C 0.297 176.603 176.300 0.010 0.000 1.088 73 R CA 0.392 56.510 56.100 0.029 0.000 1.090 73 R CB -0.365 29.954 30.300 0.031 0.000 0.876 73 R HN 0.262 nan 8.270 nan 0.000 0.477 74 N N -1.283 117.416 118.700 -0.002 0.000 2.301 74 N HA 0.060 4.813 4.740 0.020 0.000 0.247 74 N C 0.521 176.019 175.510 -0.019 0.000 1.347 74 N CA 0.590 53.633 53.050 -0.011 0.000 0.844 74 N CB 1.009 39.488 38.487 -0.014 0.000 1.332 74 N HN 0.120 nan 8.380 nan 0.000 0.494 75 G N 0.137 108.926 108.800 -0.018 0.000 2.363 75 G HA2 -0.306 3.666 3.960 0.020 0.000 0.238 75 G HA3 -0.306 3.666 3.960 0.020 0.000 0.238 75 G C -0.347 174.527 174.900 -0.043 0.000 1.062 75 G CA 0.272 45.357 45.100 -0.024 0.000 0.629 75 G HN 0.545 nan 8.290 nan 0.000 0.514 76 D N 1.390 121.755 120.400 -0.057 0.000 2.493 76 D HA 0.440 5.093 4.640 0.020 0.000 0.240 76 D C 0.432 176.654 176.300 -0.130 0.000 1.142 76 D CA 0.883 54.832 54.000 -0.085 0.000 0.872 76 D CB 1.142 41.889 40.800 -0.089 0.000 1.173 76 D HN 0.224 nan 8.370 nan 0.000 0.467 77 S N 1.673 117.295 115.700 -0.131 0.000 2.513 77 S HA 0.415 4.897 4.470 0.020 0.000 0.276 77 S C -0.864 173.594 174.600 -0.237 0.000 1.254 77 S CA -0.763 57.332 58.200 -0.174 0.000 1.053 77 S CB 0.187 63.325 63.200 -0.102 0.000 0.958 77 S HN 0.229 nan 8.310 nan 0.000 0.491 78 L N 3.866 124.835 121.223 -0.423 0.000 2.362 78 L HA 0.622 4.974 4.340 0.020 0.000 0.271 78 L C 0.026 176.682 176.870 -0.358 0.000 1.002 78 L CA -0.152 54.396 54.840 -0.486 0.000 0.818 78 L CB 2.029 43.549 42.059 -0.899 0.000 1.298 78 L HN 0.619 nan 8.230 nan 0.000 0.420 79 T N 2.712 117.248 114.554 -0.030 0.000 2.886 79 T HA 0.539 4.901 4.350 0.020 0.000 0.292 79 T C -0.666 174.185 174.700 0.252 0.000 1.012 79 T CA -0.547 61.660 62.100 0.179 0.000 0.982 79 T CB 1.531 70.592 68.868 0.321 0.000 1.018 79 T HN 0.115 nan 8.240 nan 0.000 0.451 80 L N 3.937 125.268 121.223 0.181 0.000 2.462 80 L HA 0.294 4.646 4.340 0.020 0.000 0.272 80 L C 1.166 178.053 176.870 0.028 0.000 1.166 80 L CA -0.015 54.824 54.840 -0.002 0.000 0.880 80 L CB 0.037 41.877 42.059 -0.365 0.000 1.142 80 L HN 0.600 nan 8.230 nan 0.000 0.473 81 R N 5.672 126.203 120.500 0.052 0.000 2.570 81 R HA 0.160 4.512 4.340 0.020 0.000 0.277 81 R C -2.105 174.118 176.300 -0.129 0.000 1.039 81 R CA -0.870 55.130 56.100 -0.168 0.000 1.065 81 R CB 0.090 30.433 30.300 0.072 0.000 0.964 81 R HN 0.437 nan 8.270 nan 0.000 0.428 82 P HA 0.037 nan 4.420 nan 0.000 0.252 82 P C -0.979 176.358 177.300 0.062 0.000 1.211 82 P CA 0.608 63.683 63.100 -0.042 0.000 0.824 82 P CB 0.540 32.201 31.700 -0.064 0.000 1.077 83 E N -2.301 117.880 120.200 -0.032 0.000 2.437 83 E HA 0.587 4.949 4.350 0.020 0.000 0.280 83 E C 0.238 176.865 176.600 0.044 0.000 1.044 83 E CA -0.904 55.551 56.400 0.092 0.000 0.826 83 E CB 0.030 29.826 29.700 0.159 0.000 1.358 83 E HN -0.191 nan 8.360 nan 0.000 0.459 84 G N -0.547 108.275 108.800 0.035 0.000 3.062 84 G HA2 0.040 4.013 3.960 0.020 0.000 0.228 84 G HA3 0.040 4.013 3.960 0.020 0.000 0.228 84 G C 0.702 175.527 174.900 -0.125 0.000 1.094 84 G CA 0.518 45.496 45.100 -0.203 0.000 0.782 84 G HN 0.455 nan 8.290 nan 0.000 0.541 85 T N 1.864 116.454 114.554 0.059 0.000 2.684 85 T HA -0.076 4.286 4.350 0.020 0.000 0.267 85 T C 2.820 177.499 174.700 -0.036 0.000 1.036 85 T CA 1.551 63.650 62.100 -0.002 0.000 1.148 85 T CB -0.278 68.445 68.868 -0.242 0.000 0.863 85 T HN 0.321 nan 8.240 nan 0.000 0.436 86 A N 1.633 124.460 122.820 0.012 0.000 1.883 86 A HA 0.056 4.389 4.320 0.020 0.000 0.217 86 A C 2.688 180.281 177.584 0.016 0.000 1.186 86 A CA 1.962 54.018 52.037 0.031 0.000 0.624 86 A CB -1.491 17.629 19.000 0.199 0.000 0.822 86 A HN 0.524 nan 8.150 nan 0.000 0.444 87 G N -1.342 107.494 108.800 0.061 0.000 2.422 87 G HA2 -0.291 3.681 3.960 0.020 0.000 0.218 87 G HA3 -0.291 3.681 3.960 0.020 0.000 0.218 87 G C 1.734 176.634 174.900 0.000 0.000 1.146 87 G CA 1.271 46.378 45.100 0.011 0.000 0.769 87 G HN 0.594 nan 8.290 nan 0.000 0.547 88 C N -0.124 119.192 119.300 0.027 0.000 2.462 88 C HA 0.027 4.499 4.460 0.020 0.000 0.278 88 C C 3.080 178.130 174.990 0.100 0.000 1.253 88 C CA 1.130 60.218 59.018 0.117 0.000 1.713 88 C CB -0.954 26.956 27.740 0.282 0.000 2.049 88 C HN 0.259 nan 8.230 nan 0.000 0.477 89 V N 1.810 121.789 119.914 0.109 0.000 2.287 89 V HA -0.220 3.912 4.120 0.020 0.000 0.248 89 V C 2.828 178.879 176.094 -0.072 0.000 1.053 89 V CA 2.333 64.629 62.300 -0.007 0.000 1.027 89 V CB -0.982 30.879 31.823 0.063 0.000 0.646 89 V HN 0.540 nan 8.190 nan 0.000 0.447 90 R N 0.368 120.838 120.500 -0.049 0.000 2.083 90 R HA -0.211 4.141 4.340 0.020 0.000 0.237 90 R C 2.272 178.545 176.300 -0.045 0.000 1.137 90 R CA 2.014 58.074 56.100 -0.067 0.000 0.951 90 R CB -0.506 29.744 30.300 -0.084 0.000 0.851 90 R HN 0.499 nan 8.270 nan 0.000 0.434 91 A N -0.012 122.811 122.820 0.006 0.000 1.930 91 A HA -0.035 4.298 4.320 0.020 0.000 0.217 91 A C 2.336 179.993 177.584 0.121 0.000 1.175 91 A CA 1.588 53.694 52.037 0.114 0.000 0.627 91 A CB -0.927 18.142 19.000 0.116 0.000 0.815 91 A HN 0.575 nan 8.150 nan 0.000 0.443 92 G N 0.287 109.077 108.800 -0.017 0.000 2.421 92 G HA2 -0.184 3.788 3.960 0.020 0.000 0.216 92 G HA3 -0.184 3.788 3.960 0.020 0.000 0.216 92 G C 1.527 176.373 174.900 -0.089 0.000 1.171 92 G CA 1.148 46.188 45.100 -0.099 0.000 0.775 92 G HN 0.471 nan 8.290 nan 0.000 0.543 93 I N 0.433 120.935 120.570 -0.114 0.000 2.142 93 I HA -0.168 4.015 4.170 0.020 0.000 0.240 93 I C 2.654 178.715 176.117 -0.094 0.000 1.078 93 I CA 1.606 62.847 61.300 -0.099 0.000 1.343 93 I CB -0.338 37.602 38.000 -0.100 0.000 1.046 93 I HN 0.264 nan 8.210 nan 0.000 0.405 94 E N 0.203 120.331 120.200 -0.119 0.000 2.118 94 E HA -0.258 4.104 4.350 0.020 0.000 0.195 94 E C 1.972 178.372 176.600 -0.332 0.000 0.992 94 E CA 1.330 57.596 56.400 -0.224 0.000 0.804 94 E CB 0.069 29.607 29.700 -0.271 0.000 0.741 94 E HN 0.563 nan 8.360 nan 0.000 0.458 95 H N -1.999 117.039 119.070 -0.052 0.000 2.592 95 H HA 0.167 4.735 4.556 0.020 0.000 0.265 95 H C 1.119 176.427 175.328 -0.033 0.000 0.955 95 H CA 0.882 56.906 56.048 -0.039 0.000 1.175 95 H CB 1.397 31.136 29.762 -0.038 0.000 1.433 95 H HN 0.379 nan 8.280 nan 0.000 0.537 96 G N 1.196 110.021 108.800 0.041 0.000 2.130 96 G HA2 -0.212 3.760 3.960 0.020 0.000 0.216 96 G HA3 -0.212 3.760 3.960 0.020 0.000 0.216 96 G C 0.998 175.917 174.900 0.032 0.000 0.999 96 G CA 0.311 45.430 45.100 0.031 0.000 0.686 96 G HN 0.355 nan 8.290 nan 0.000 0.515 97 L N -0.627 120.604 121.223 0.014 0.000 2.509 97 L HA 0.284 4.636 4.340 0.020 0.000 0.222 97 L C 2.543 179.390 176.870 -0.039 0.000 1.123 97 L CA 0.627 55.462 54.840 -0.008 0.000 0.856 97 L CB -0.221 41.828 42.059 -0.018 0.000 0.985 97 L HN 0.350 nan 8.230 nan 0.000 0.456 98 L N -2.034 119.149 121.223 -0.066 0.000 2.425 98 L HA 0.057 4.409 4.340 0.020 0.000 0.215 98 L C 0.792 177.674 176.870 0.019 0.000 1.065 98 L CA -0.137 54.647 54.840 -0.093 0.000 0.842 98 L CB -0.194 41.714 42.059 -0.251 0.000 1.033 98 L HN 0.027 nan 8.230 nan 0.000 0.474 99 Y N 3.194 123.457 120.300 -0.060 0.000 2.496 99 Y HA 0.036 4.598 4.550 0.020 0.000 0.334 99 Y C 0.690 176.580 175.900 -0.015 0.000 1.080 99 Y CA -0.609 57.470 58.100 -0.035 0.000 1.355 99 Y CB -0.169 38.271 38.460 -0.033 0.000 1.193 99 Y HN 0.166 nan 8.280 nan 0.000 0.523 100 N N 3.351 121.674 118.700 -0.628 0.000 2.735 100 N HA -0.257 4.495 4.740 0.020 0.000 0.248 100 N C -1.067 174.308 175.510 -0.225 0.000 1.083 100 N CA 1.257 53.992 53.050 -0.526 0.000 0.703 100 N CB -0.990 37.069 38.487 -0.714 0.000 1.005 100 N HN 0.810 nan 8.380 nan 0.000 0.550 101 Q N -0.592 119.136 119.800 -0.120 0.000 2.495 101 Q HA 0.476 4.828 4.340 0.020 0.000 0.287 101 Q C -0.722 175.281 176.000 0.005 0.000 1.078 101 Q CA -0.729 55.046 55.803 -0.046 0.000 0.793 101 Q CB 2.486 31.209 28.738 -0.025 0.000 1.459 101 Q HN 0.230 nan 8.270 nan 0.000 0.422 102 E N 1.370 121.583 120.200 0.021 0.000 2.171 102 E HA 0.250 4.612 4.350 0.020 0.000 0.271 102 E C -1.275 175.363 176.600 0.063 0.000 0.916 102 E CA -0.488 55.940 56.400 0.047 0.000 0.774 102 E CB 1.084 30.801 29.700 0.030 0.000 1.128 102 E HN 0.299 nan 8.360 nan 0.000 0.403 103 Q N 2.914 122.775 119.800 0.102 0.000 2.323 103 Q HA 0.407 4.760 4.340 0.020 0.000 0.271 103 Q C -1.172 174.825 176.000 -0.004 0.000 1.048 103 Q CA -0.656 55.203 55.803 0.094 0.000 0.792 103 Q CB 2.184 31.047 28.738 0.210 0.000 1.280 103 Q HN 0.462 nan 8.270 nan 0.000 0.441 104 R N 1.971 122.414 120.500 -0.096 0.000 2.371 104 R HA 0.641 4.994 4.340 0.020 0.000 0.312 104 R C -0.720 175.401 176.300 -0.298 0.000 0.980 104 R CA 0.043 55.921 56.100 -0.370 0.000 0.867 104 R CB 0.870 30.956 30.300 -0.357 0.000 1.163 104 R HN 0.432 nan 8.270 nan 0.000 0.492 105 L N 2.795 123.849 121.223 -0.281 0.000 2.327 105 L HA 0.733 5.085 4.340 0.020 0.000 0.258 105 L C -0.724 176.133 176.870 -0.022 0.000 1.024 105 L CA -1.053 53.723 54.840 -0.106 0.000 0.825 105 L CB 1.882 43.941 42.059 0.000 0.000 1.386 105 L HN 0.589 nan 8.230 nan 0.000 0.417 106 W N 1.004 122.290 121.300 -0.022 0.000 3.042 106 W HA 0.687 5.359 4.660 0.020 0.000 0.342 106 W C -2.331 174.192 176.519 0.006 0.000 1.240 106 W CA -0.995 56.292 57.345 -0.096 0.000 1.166 106 W CB 1.278 30.759 29.460 0.035 0.000 1.469 106 W HN 0.523 nan 8.180 nan 0.000 0.579 107 Y N 0.582 121.091 120.300 0.348 0.000 2.552 107 Y HA 0.769 5.332 4.550 0.022 0.000 0.337 107 Y C -1.846 174.270 175.900 0.360 0.000 1.094 107 Y CA -2.014 56.196 58.100 0.184 0.000 1.028 107 Y CB 1.067 39.583 38.460 0.092 0.000 1.321 107 Y HN 0.474 nan 8.280 nan 0.000 0.456 108 I N 1.656 122.541 120.570 0.526 0.000 2.582 108 I HA 1.020 5.202 4.170 0.020 0.000 0.292 108 I C -0.361 175.950 176.117 0.324 0.000 1.066 108 I CA -0.379 61.182 61.300 0.435 0.000 1.053 108 I CB 1.829 40.077 38.000 0.414 0.000 1.241 108 I HN 1.202 nan 8.210 nan 0.000 0.421 109 G N 5.687 114.656 108.800 0.282 0.000 2.320 109 G HA2 0.450 4.422 3.960 0.020 0.000 0.296 109 G HA3 0.450 4.422 3.960 0.020 0.000 0.296 109 G C -3.468 171.486 174.900 0.089 0.000 1.306 109 G CA -0.753 44.463 45.100 0.194 0.000 0.836 109 G HN 0.471 nan 8.290 nan 0.000 0.517 110 P HA 0.607 nan 4.420 nan 0.000 0.278 110 P C -0.656 176.317 177.300 -0.545 0.000 1.238 110 P CA -0.366 62.415 63.100 -0.533 0.000 0.794 110 P CB 0.977 32.310 31.700 -0.612 0.000 0.955 111 M N 1.750 120.736 119.600 -1.024 0.000 2.644 111 M HA 0.529 5.021 4.480 0.020 0.000 0.304 111 M C -0.856 174.665 176.300 -1.299 0.000 1.215 111 M CA -0.792 53.946 55.300 -0.937 0.000 0.871 111 M CB 0.945 32.940 32.600 -1.008 0.000 1.740 111 M HN 0.183 nan 8.290 nan 0.000 0.464 112 F N 0.842 120.573 119.950 -0.366 0.000 2.529 112 F HA 0.681 5.226 4.527 0.029 0.000 0.320 112 F C -0.115 175.847 175.800 0.270 0.000 1.118 112 F CA -0.598 57.360 58.000 -0.070 0.000 0.915 112 F CB 1.788 40.704 39.000 -0.141 0.000 1.161 112 F HN 0.385 nan 8.300 nan 0.000 0.445 113 R N 0.662 121.529 120.500 0.612 0.000 2.522 113 R HA 0.172 4.524 4.340 0.020 0.000 0.283 113 R C -1.329 175.257 176.300 0.477 0.000 1.074 113 R CA -1.050 55.358 56.100 0.513 0.000 0.925 113 R CB 1.702 32.236 30.300 0.390 0.000 1.205 113 R HN 0.696 nan 8.270 nan 0.000 0.436 114 H N 2.144 121.366 119.070 0.254 0.000 3.460 114 H HA 0.082 4.650 4.556 0.020 0.000 0.238 114 H C -0.654 174.710 175.328 0.061 0.000 1.752 114 H CA 0.496 56.582 56.048 0.064 0.000 1.503 114 H CB 0.142 29.699 29.762 -0.342 0.000 1.830 114 H HN 0.383 nan 8.280 nan 0.000 0.614 115 E N 1.620 121.837 120.200 0.029 0.000 2.235 115 E HA 0.256 4.618 4.350 0.020 0.000 0.265 115 E C -0.307 176.272 176.600 -0.035 0.000 0.940 115 E CA -1.369 55.043 56.400 0.019 0.000 0.819 115 E CB 1.312 31.013 29.700 0.001 0.000 1.206 115 E HN 0.290 nan 8.360 nan 0.000 0.409 116 R N 2.481 122.973 120.500 -0.013 0.000 2.421 116 R HA 0.117 4.470 4.340 0.020 0.000 0.305 116 R C -2.413 173.865 176.300 -0.037 0.000 1.039 116 R CA -1.288 54.801 56.100 -0.019 0.000 1.003 116 R CB -0.058 30.240 30.300 -0.003 0.000 0.959 116 R HN 0.248 nan 8.270 nan 0.000 0.427 117 P HA 0.025 nan 4.420 nan 0.000 0.271 117 P C -0.987 176.279 177.300 -0.057 0.000 1.226 117 P CA 0.295 63.375 63.100 -0.034 0.000 0.765 117 P CB 0.739 32.469 31.700 0.049 0.000 0.835 118 Q N 1.828 121.548 119.800 -0.134 0.000 2.418 118 Q HA 0.296 4.648 4.340 0.020 0.000 0.282 118 Q C 0.530 176.407 176.000 -0.204 0.000 1.044 118 Q CA -1.029 54.705 55.803 -0.116 0.000 0.813 118 Q CB 1.614 30.297 28.738 -0.092 0.000 1.428 118 Q HN 0.145 nan 8.270 nan 0.000 0.402 119 K N 1.445 121.772 120.400 -0.120 0.000 2.137 119 K HA -0.295 4.037 4.320 0.020 0.000 0.216 119 K C 1.467 177.933 176.600 -0.223 0.000 1.052 119 K CA 2.909 59.136 56.287 -0.100 0.000 0.939 119 K CB -0.657 31.827 32.500 -0.027 0.000 0.724 119 K HN 0.828 nan 8.250 nan 0.000 0.465 120 G N -0.114 108.541 108.800 -0.242 0.000 2.539 120 G HA2 -0.033 3.939 3.960 0.020 0.000 0.215 120 G HA3 -0.033 3.939 3.960 0.020 0.000 0.215 120 G C 0.229 174.849 174.900 -0.466 0.000 1.141 120 G CA -0.203 44.751 45.100 -0.242 0.000 0.806 120 G HN 0.048 nan 8.290 nan 0.000 0.533 121 R N -0.042 120.144 120.500 -0.523 0.000 2.349 121 R HA 0.614 4.967 4.340 0.020 0.000 0.299 121 R C -1.401 174.484 176.300 -0.691 0.000 1.027 121 R CA -0.902 54.899 56.100 -0.498 0.000 0.958 121 R CB 0.636 30.768 30.300 -0.279 0.000 1.047 121 R HN 0.254 nan 8.270 nan 0.000 0.468 122 Y N 0.250 120.541 120.300 -0.015 0.000 2.638 122 Y HA 0.423 4.984 4.550 0.019 0.000 0.339 122 Y C 1.487 177.471 175.900 0.140 0.000 1.084 122 Y CA -1.036 57.107 58.100 0.071 0.000 1.068 122 Y CB 1.244 39.787 38.460 0.139 0.000 1.294 122 Y HN 0.263 nan 8.280 nan 0.000 0.480 123 R N 0.044 120.743 120.500 0.331 0.000 2.100 123 R HA -0.006 4.346 4.340 0.020 0.000 0.220 123 R C -0.060 176.385 176.300 0.241 0.000 1.091 123 R CA 0.545 56.823 56.100 0.297 0.000 0.986 123 R CB 0.237 30.669 30.300 0.220 0.000 0.888 123 R HN 0.653 nan 8.270 nan 0.000 0.444 124 Q N 0.720 120.565 119.800 0.075 0.000 2.357 124 Q HA 0.309 4.662 4.340 0.020 0.000 0.266 124 Q C -1.403 174.523 176.000 -0.124 0.000 1.021 124 Q CA -0.564 55.027 55.803 -0.353 0.000 0.784 124 Q CB 0.883 29.373 28.738 -0.413 0.000 1.243 124 Q HN -0.000 nan 8.270 nan 0.000 0.465 125 F N 0.131 119.878 119.950 -0.339 0.000 2.654 125 F HA 0.704 5.243 4.527 0.019 0.000 0.334 125 F C -1.346 174.248 175.800 -0.345 0.000 1.078 125 F CA -1.134 56.802 58.000 -0.106 0.000 0.986 125 F CB 1.175 40.247 39.000 0.119 0.000 1.362 125 F HN 0.426 nan 8.300 nan 0.000 0.498 126 H N -0.470 118.713 119.070 0.189 0.000 2.717 126 H HA 0.570 5.138 4.556 0.021 0.000 0.366 126 H C -1.208 174.263 175.328 0.239 0.000 1.132 126 H CA -0.728 55.368 56.048 0.080 0.000 1.180 126 H CB 2.017 31.839 29.762 0.100 0.000 1.678 126 H HN 0.582 nan 8.280 nan 0.000 0.537 127 Q N 1.514 121.495 119.800 0.302 0.000 2.413 127 Q HA 0.483 4.836 4.340 0.020 0.000 0.276 127 Q C -1.234 174.965 176.000 0.330 0.000 1.099 127 Q CA -1.081 54.930 55.803 0.347 0.000 0.814 127 Q CB 3.511 32.482 28.738 0.388 0.000 1.379 127 Q HN 0.434 nan 8.270 nan 0.000 0.436 128 L N 0.532 121.919 121.223 0.273 0.000 2.346 128 L HA 0.857 5.209 4.340 0.020 0.000 0.276 128 L C -0.677 176.279 176.870 0.143 0.000 1.006 128 L CA -0.290 54.672 54.840 0.203 0.000 0.817 128 L CB 1.519 43.621 42.059 0.071 0.000 1.272 128 L HN 0.758 nan 8.230 nan 0.000 0.421 129 G N 2.794 111.481 108.800 -0.188 0.000 2.660 129 G HA2 0.634 4.606 3.960 0.020 0.000 0.294 129 G HA3 0.634 4.606 3.960 0.020 0.000 0.294 129 G C -1.873 172.644 174.900 -0.640 0.000 1.369 129 G CA -0.419 44.418 45.100 -0.440 0.000 0.912 129 G HN 0.705 nan 8.290 nan 0.000 0.479 130 C N 0.176 119.073 119.300 -0.672 0.000 2.712 130 C HA 0.885 5.358 4.460 0.020 0.000 0.308 130 C C -1.001 173.761 174.990 -0.380 0.000 1.201 130 C CA -0.937 57.790 59.018 -0.485 0.000 1.554 130 C CB 1.869 29.300 27.740 -0.515 0.000 2.117 130 C HN 0.692 nan 8.230 nan 0.000 0.480 131 E N 1.224 121.261 120.200 -0.271 0.000 2.287 131 E HA 0.447 4.809 4.350 0.020 0.000 0.274 131 E C -1.449 174.878 176.600 -0.455 0.000 0.896 131 E CA -0.310 55.926 56.400 -0.273 0.000 0.788 131 E CB 2.179 31.808 29.700 -0.118 0.000 1.244 131 E HN 0.454 nan 8.360 nan 0.000 0.408 132 V N 4.165 123.777 119.914 -0.503 0.000 2.495 132 V HA 0.650 4.782 4.120 0.020 0.000 0.298 132 V C -1.502 174.241 176.094 -0.584 0.000 1.031 132 V CA -0.534 61.495 62.300 -0.453 0.000 0.871 132 V CB 0.702 32.364 31.823 -0.267 0.000 0.988 132 V HN 0.482 nan 8.190 nan 0.000 0.432 133 F N 4.953 124.868 119.950 -0.060 0.000 2.495 133 F HA 0.826 5.365 4.527 0.020 0.000 0.327 133 F C 1.083 176.857 175.800 -0.043 0.000 1.103 133 F CA 0.139 58.104 58.000 -0.058 0.000 0.949 133 F CB 2.189 41.172 39.000 -0.029 0.000 1.142 133 F HN 0.794 nan 8.300 nan 0.000 0.457 134 G N 1.875 110.757 108.800 0.137 0.000 2.231 134 G HA2 -0.186 3.787 3.960 0.020 0.000 0.206 134 G HA3 -0.186 3.787 3.960 0.020 0.000 0.206 134 G C -0.618 174.306 174.900 0.040 0.000 0.996 134 G CA -0.675 44.471 45.100 0.076 0.000 0.645 134 G HN 0.512 nan 8.290 nan 0.000 0.498 135 L N 0.430 121.668 121.223 0.026 0.000 2.322 135 L HA 0.706 5.058 4.340 0.020 0.000 0.281 135 L C 1.064 177.957 176.870 0.038 0.000 1.014 135 L CA -0.720 54.137 54.840 0.029 0.000 0.815 135 L CB 1.911 43.986 42.059 0.027 0.000 1.247 135 L HN 0.152 nan 8.230 nan 0.000 0.421 136 Q N 2.114 121.949 119.800 0.059 0.000 2.388 136 Q HA 0.243 4.595 4.340 0.020 0.000 0.204 136 Q C 1.042 177.143 176.000 0.169 0.000 0.946 136 Q CA 0.791 56.646 55.803 0.087 0.000 0.880 136 Q CB 0.159 28.939 28.738 0.070 0.000 0.997 136 Q HN 0.749 nan 8.270 nan 0.000 0.552 137 G N 0.930 109.808 108.800 0.130 0.000 2.712 137 G HA2 0.099 4.071 3.960 0.020 0.000 0.258 137 G HA3 0.099 4.071 3.960 0.020 0.000 0.258 137 G C -1.774 173.142 174.900 0.026 0.000 1.241 137 G CA -0.280 44.887 45.100 0.113 0.000 0.923 137 G HN 0.328 nan 8.290 nan 0.000 0.548 138 P HA -0.032 nan 4.420 nan 0.000 0.233 138 P C 0.898 178.112 177.300 -0.144 0.000 1.167 138 P CA 1.199 64.062 63.100 -0.395 0.000 0.770 138 P CB 0.177 31.508 31.700 -0.614 0.000 0.837 139 D N 0.805 121.156 120.400 -0.082 0.000 2.104 139 D HA -0.203 4.449 4.640 0.020 0.000 0.194 139 D C 1.864 178.162 176.300 -0.004 0.000 0.994 139 D CA 0.851 54.826 54.000 -0.041 0.000 0.830 139 D CB -1.305 39.483 40.800 -0.021 0.000 0.959 139 D HN 0.109 nan 8.370 nan 0.000 0.452 140 I N 1.440 122.026 120.570 0.026 0.000 2.493 140 I HA -0.182 4.000 4.170 0.020 0.000 0.254 140 I C 0.772 176.930 176.117 0.068 0.000 1.160 140 I CA 1.144 62.478 61.300 0.057 0.000 1.445 140 I CB -0.431 37.605 38.000 0.060 0.000 1.086 140 I HN -0.199 nan 8.210 nan 0.000 0.433 141 D N 0.760 121.196 120.400 0.060 0.000 2.144 141 D HA -0.064 4.588 4.640 0.020 0.000 0.200 141 D C 2.282 178.562 176.300 -0.033 0.000 0.978 141 D CA 1.410 55.453 54.000 0.073 0.000 0.833 141 D CB -0.359 40.510 40.800 0.115 0.000 0.961 141 D HN 0.426 nan 8.370 nan 0.000 0.470 142 A N 0.712 123.496 122.820 -0.060 0.000 1.930 142 A HA -0.188 4.144 4.320 0.020 0.000 0.217 142 A C 2.082 179.630 177.584 -0.060 0.000 1.175 142 A CA 1.565 53.545 52.037 -0.095 0.000 0.627 142 A CB -0.612 18.334 19.000 -0.089 0.000 0.815 142 A HN 0.272 nan 8.150 nan 0.000 0.443 143 E N -0.404 119.793 120.200 -0.004 0.000 2.085 143 E HA -0.213 4.150 4.350 0.020 0.000 0.194 143 E C 1.693 178.273 176.600 -0.033 0.000 0.994 143 E CA 1.327 57.746 56.400 0.032 0.000 0.801 143 E CB -0.186 29.579 29.700 0.107 0.000 0.743 143 E HN 0.407 nan 8.360 nan 0.000 0.453 144 L N 0.758 121.989 121.223 0.014 0.000 2.056 144 L HA -0.134 4.218 4.340 0.020 0.000 0.207 144 L C 2.300 179.086 176.870 -0.140 0.000 1.078 144 L CA 1.355 56.231 54.840 0.059 0.000 0.749 144 L CB -0.395 41.853 42.059 0.315 0.000 0.901 144 L HN 0.277 nan 8.230 nan 0.000 0.433 145 I N -1.643 118.801 120.570 -0.211 0.000 2.315 145 I HA -0.312 3.870 4.170 0.020 0.000 0.248 145 I C 2.428 178.462 176.117 -0.138 0.000 1.117 145 I CA 1.134 62.307 61.300 -0.211 0.000 1.404 145 I CB -0.213 37.612 38.000 -0.292 0.000 1.071 145 I HN 0.251 nan 8.210 nan 0.000 0.419 146 M N 0.056 119.571 119.600 -0.141 0.000 2.108 146 M HA -0.245 4.247 4.480 0.020 0.000 0.261 146 M C 2.351 178.489 176.300 -0.269 0.000 1.066 146 M CA 1.869 57.099 55.300 -0.117 0.000 1.107 146 M CB -0.238 32.348 32.600 -0.023 0.000 1.356 146 M HN 0.262 nan 8.290 nan 0.000 0.406 147 L N -0.222 120.708 121.223 -0.488 0.000 2.046 147 L HA -0.202 4.150 4.340 0.020 0.000 0.208 147 L C 2.479 178.628 176.870 -1.200 0.000 1.077 147 L CA 1.809 56.073 54.840 -0.959 0.000 0.747 147 L CB -0.395 40.931 42.059 -1.221 0.000 0.896 147 L HN 0.426 nan 8.230 nan 0.000 0.432 148 T N -2.844 111.039 114.554 -1.117 0.000 2.951 148 T HA -0.003 4.359 4.350 0.020 0.000 0.268 148 T C 1.841 175.508 174.700 -1.722 0.000 1.073 148 T CA 0.695 61.855 62.100 -1.566 0.000 1.134 148 T CB -0.503 67.526 68.868 -1.399 0.000 0.884 148 T HN 0.384 nan 8.240 nan 0.000 0.479 149 A N 1.992 124.241 122.820 -0.951 0.000 1.933 149 A HA -0.012 4.320 4.320 0.020 0.000 0.218 149 A C 2.478 179.815 177.584 -0.413 0.000 1.175 149 A CA 1.564 53.256 52.037 -0.574 0.000 0.628 149 A CB -0.728 18.206 19.000 -0.110 0.000 0.814 149 A HN 0.489 nan 8.150 nan 0.000 0.444 150 R N -1.393 118.868 120.500 -0.398 0.000 2.073 150 R HA -0.179 4.173 4.340 0.020 0.000 0.234 150 R C 1.934 178.144 176.300 -0.150 0.000 1.134 150 R CA 1.816 57.786 56.100 -0.218 0.000 0.952 150 R CB -0.304 29.887 30.300 -0.181 0.000 0.850 150 R HN 0.675 nan 8.270 nan 0.000 0.433 151 W N -0.057 120.977 121.300 -0.444 0.000 2.342 151 W HA -0.178 4.494 4.660 0.020 0.000 0.297 151 W C 1.859 178.307 176.519 -0.120 0.000 1.213 151 W CA 0.510 57.629 57.345 -0.377 0.000 1.251 151 W CB -1.174 27.904 29.460 -0.636 0.000 1.136 151 W HN 0.312 nan 8.180 nan 0.000 0.526 152 W N -0.200 121.090 121.300 -0.016 0.000 2.418 152 W HA -0.092 4.580 4.660 0.020 0.000 0.292 152 W C 2.496 179.003 176.519 -0.021 0.000 1.213 152 W CA 0.133 57.434 57.345 -0.074 0.000 1.283 152 W CB -0.790 28.566 29.460 -0.174 0.000 1.119 152 W HN -0.256 nan 8.180 nan 0.000 0.542 153 R N 0.723 121.340 120.500 0.195 0.000 2.080 153 R HA -0.172 4.180 4.340 0.020 0.000 0.236 153 R C 2.443 178.815 176.300 0.120 0.000 1.137 153 R CA 1.761 57.937 56.100 0.126 0.000 0.943 153 R CB -1.033 29.309 30.300 0.070 0.000 0.846 153 R HN 0.145 nan 8.270 nan 0.000 0.431 154 A N 0.783 123.674 122.820 0.119 0.000 1.978 154 A HA -0.108 4.224 4.320 0.020 0.000 0.220 154 A C 1.975 179.643 177.584 0.140 0.000 1.170 154 A CA 1.235 53.343 52.037 0.119 0.000 0.636 154 A CB -0.285 18.791 19.000 0.126 0.000 0.810 154 A HN 0.217 nan 8.150 nan 0.000 0.448 155 L N -1.586 119.725 121.223 0.146 0.000 2.607 155 L HA 0.253 4.605 4.340 0.020 0.000 0.228 155 L C 1.509 178.429 176.870 0.083 0.000 1.123 155 L CA 0.445 55.346 54.840 0.102 0.000 0.890 155 L CB 0.066 42.144 42.059 0.031 0.000 1.103 155 L HN 0.535 nan 8.230 nan 0.000 0.468 156 G N 1.545 110.412 108.800 0.111 0.000 2.176 156 G HA2 -0.292 3.681 3.960 0.020 0.000 0.252 156 G HA3 -0.292 3.681 3.960 0.020 0.000 0.252 156 G C 0.712 175.655 174.900 0.073 0.000 1.024 156 G CA 0.637 45.794 45.100 0.095 0.000 0.755 156 G HN 0.579 nan 8.290 nan 0.000 0.507 157 I N -3.632 116.979 120.570 0.068 0.000 4.082 157 I HA 0.305 4.487 4.170 0.020 0.000 0.337 157 I C 1.989 178.154 176.117 0.080 0.000 1.352 157 I CA 0.613 61.928 61.300 0.024 0.000 1.097 157 I CB 0.016 37.926 38.000 -0.151 0.000 1.048 157 I HN -0.030 nan 8.210 nan 0.000 0.393 158 S N 1.821 117.599 115.700 0.130 0.000 2.393 158 S HA -0.204 4.278 4.470 0.020 0.000 0.234 158 S C 1.272 175.927 174.600 0.091 0.000 1.064 158 S CA 1.882 60.173 58.200 0.151 0.000 1.088 158 S CB -0.381 62.916 63.200 0.162 0.000 0.939 158 S HN 0.537 nan 8.310 nan 0.000 0.448 159 E N 0.505 120.733 120.200 0.046 0.000 2.422 159 E HA 0.158 4.520 4.350 0.020 0.000 0.267 159 E C -0.261 176.095 176.600 -0.407 0.000 1.466 159 E CA 0.193 56.524 56.400 -0.114 0.000 1.767 159 E CB -0.139 29.481 29.700 -0.134 0.000 1.471 159 E HN 0.610 nan 8.360 nan 0.000 0.446 160 H N -2.457 116.590 119.070 -0.038 0.000 3.770 160 H HA 0.133 4.701 4.556 0.020 0.000 0.264 160 H C -0.530 174.743 175.328 -0.091 0.000 1.164 160 H CA -0.034 55.972 56.048 -0.070 0.000 1.158 160 H CB 0.971 30.668 29.762 -0.108 0.000 1.653 160 H HN -0.086 nan 8.280 nan 0.000 0.795 161 V N 0.488 120.409 119.914 0.011 0.000 2.577 161 V HA 0.489 4.621 4.120 0.020 0.000 0.303 161 V C 0.056 176.300 176.094 0.250 0.000 1.042 161 V CA -0.828 61.499 62.300 0.046 0.000 0.872 161 V CB 1.869 33.511 31.823 -0.303 0.000 0.998 161 V HN 0.151 nan 8.190 nan 0.000 0.423 162 T N 4.445 119.115 114.554 0.192 0.000 2.859 162 T HA 0.682 5.044 4.350 0.020 0.000 0.281 162 T C -0.914 173.746 174.700 -0.066 0.000 1.005 162 T CA -0.435 61.714 62.100 0.082 0.000 1.025 162 T CB 1.252 70.135 68.868 0.026 0.000 0.977 162 T HN 0.640 nan 8.240 nan 0.000 0.458 163 L N 4.305 125.350 121.223 -0.297 0.000 2.275 163 L HA 0.606 4.958 4.340 0.020 0.000 0.288 163 L C -0.298 176.451 176.870 -0.201 0.000 1.046 163 L CA 0.015 54.519 54.840 -0.561 0.000 0.805 163 L CB 0.983 42.570 42.059 -0.787 0.000 1.193 163 L HN 0.713 nan 8.230 nan 0.000 0.426 164 E N 4.810 124.929 120.200 -0.136 0.000 2.183 164 E HA 0.685 5.047 4.350 0.020 0.000 0.271 164 E C -1.256 175.369 176.600 0.042 0.000 0.919 164 E CA -0.401 55.995 56.400 -0.007 0.000 0.781 164 E CB 1.804 31.507 29.700 0.006 0.000 1.140 164 E HN 0.575 nan 8.360 nan 0.000 0.402 165 L N 2.813 124.104 121.223 0.114 0.000 2.359 165 L HA 0.636 4.989 4.340 0.020 0.000 0.256 165 L C -0.637 176.341 176.870 0.181 0.000 1.026 165 L CA -0.795 54.154 54.840 0.182 0.000 0.828 165 L CB 2.186 44.376 42.059 0.218 0.000 1.406 165 L HN 0.767 nan 8.230 nan 0.000 0.413 166 N N -1.124 117.589 118.700 0.022 0.000 3.951 166 N HA 0.183 4.935 4.740 0.020 0.000 0.222 166 N C -1.860 173.174 175.510 -0.793 0.000 1.352 166 N CA -0.828 51.975 53.050 -0.411 0.000 0.852 166 N CB 1.601 39.973 38.487 -0.191 0.000 1.444 166 N HN 0.353 nan 8.380 nan 0.000 0.473 167 S N 0.030 115.105 115.700 -1.041 0.000 2.475 167 S HA 0.506 4.988 4.470 0.020 0.000 0.298 167 S C 0.038 174.460 174.600 -0.296 0.000 1.119 167 S CA -0.789 57.030 58.200 -0.634 0.000 1.085 167 S CB 0.615 63.448 63.200 -0.612 0.000 1.028 167 S HN 0.497 nan 8.310 nan 0.000 0.489 168 I N 3.842 124.315 120.570 -0.162 0.000 3.889 168 I HA 0.272 4.454 4.170 0.020 0.000 0.332 168 I C 1.369 177.459 176.117 -0.045 0.000 1.493 168 I CA 0.427 61.676 61.300 -0.085 0.000 1.158 168 I CB -0.878 37.091 38.000 -0.052 0.000 1.117 168 I HN 0.953 nan 8.210 nan 0.000 0.411 231 E N 2.585 122.809 120.200 0.039 0.000 2.108 231 E HA -0.296 4.066 4.350 0.020 0.000 0.203 231 E C 1.431 178.067 176.600 0.060 0.000 1.022 231 E CA 1.755 58.184 56.400 0.048 0.000 0.823 231 E CB -0.281 29.443 29.700 0.039 0.000 0.744 231 E HN 0.637 nan 8.360 nan 0.000 0.456 232 E N 0.539 120.773 120.200 0.055 0.000 2.077 232 E HA -0.128 4.234 4.350 0.020 0.000 0.193 232 E C 1.723 178.380 176.600 0.094 0.000 0.989 232 E CA 1.469 57.910 56.400 0.068 0.000 0.800 232 E CB -0.074 29.655 29.700 0.048 0.000 0.746 232 E HN 0.318 nan 8.360 nan 0.000 0.452 233 S N 0.095 115.839 115.700 0.073 0.000 2.489 233 S HA 0.044 4.526 4.470 0.020 0.000 0.228 233 S C 1.793 176.489 174.600 0.160 0.000 0.995 233 S CA 0.220 58.475 58.200 0.091 0.000 0.934 233 S CB 0.024 63.239 63.200 0.026 0.000 0.771 233 S HN 0.243 nan 8.310 nan 0.000 0.522 234 R N 1.446 122.027 120.500 0.134 0.000 2.093 234 R HA -0.036 4.317 4.340 0.020 0.000 0.224 234 R C 2.405 178.803 176.300 0.164 0.000 1.101 234 R CA 1.306 57.503 56.100 0.162 0.000 0.979 234 R CB -0.225 30.140 30.300 0.110 0.000 0.877 234 R HN 0.632 nan 8.270 nan 0.000 0.441 235 E N 0.092 120.371 120.200 0.131 0.000 2.072 235 E HA -0.249 4.113 4.350 0.020 0.000 0.190 235 E C 1.759 178.435 176.600 0.126 0.000 0.982 235 E CA 1.375 57.837 56.400 0.103 0.000 0.803 235 E CB -0.490 29.258 29.700 0.080 0.000 0.755 235 E HN 0.471 nan 8.360 nan 0.000 0.453 236 H N 0.050 119.170 119.070 0.084 0.000 2.319 236 H HA -0.170 4.398 4.556 0.020 0.000 0.299 236 H C 1.843 177.249 175.328 0.129 0.000 1.092 236 H CA 2.113 58.216 56.048 0.091 0.000 1.302 236 H CB -0.229 29.595 29.762 0.102 0.000 1.373 236 H HN 0.196 nan 8.280 nan 0.000 0.497 237 F N 0.901 120.949 119.950 0.164 0.000 2.134 237 F HA -0.066 4.473 4.527 0.020 0.000 0.299 237 F C 2.489 178.272 175.800 -0.027 0.000 1.097 237 F CA 1.252 59.296 58.000 0.075 0.000 1.264 237 F CB -1.075 37.972 39.000 0.078 0.000 1.001 237 F HN 0.315 nan 8.300 nan 0.000 0.479 238 A N 0.174 122.957 122.820 -0.062 0.000 1.858 238 A HA -0.068 4.264 4.320 0.020 0.000 0.216 238 A C 2.574 180.046 177.584 -0.187 0.000 1.190 238 A CA 1.792 53.735 52.037 -0.157 0.000 0.617 238 A CB -1.774 17.208 19.000 -0.031 0.000 0.827 238 A HN 0.471 nan 8.150 nan 0.000 0.443 239 G N -0.073 108.649 108.800 -0.131 0.000 2.469 239 G HA2 -0.230 3.742 3.960 0.020 0.000 0.219 239 G HA3 -0.230 3.742 3.960 0.020 0.000 0.219 239 G C 1.518 176.295 174.900 -0.206 0.000 1.150 239 G CA 1.371 46.386 45.100 -0.141 0.000 0.763 239 G HN 0.567 nan 8.290 nan 0.000 0.561 240 L N 0.701 121.755 121.223 -0.283 0.000 1.989 240 L HA -0.100 4.252 4.340 0.020 0.000 0.211 240 L C 2.769 179.409 176.870 -0.383 0.000 1.071 240 L CA 2.021 56.671 54.840 -0.317 0.000 0.749 240 L CB -0.889 40.992 42.059 -0.297 0.000 0.890 240 L HN 0.263 nan 8.230 nan 0.000 0.431 241 C N -0.158 118.827 119.300 -0.524 0.000 2.422 241 C HA -0.080 4.392 4.460 0.020 0.000 0.279 241 C C 2.689 177.559 174.990 -0.200 0.000 1.305 241 C CA 0.371 59.071 59.018 -0.530 0.000 1.757 241 C CB -1.053 26.328 27.740 -0.600 0.000 1.962 241 C HN 0.480 nan 8.230 nan 0.000 0.499 242 K N 0.996 121.302 120.400 -0.158 0.000 2.057 242 K HA 0.014 4.346 4.320 0.020 0.000 0.206 242 K C 1.867 178.426 176.600 -0.068 0.000 1.050 242 K CA 1.099 57.339 56.287 -0.079 0.000 0.935 242 K CB -0.686 31.770 32.500 -0.074 0.000 0.715 242 K HN 0.512 nan 8.250 nan 0.000 0.439 243 L N 0.942 122.104 121.223 -0.100 0.000 2.079 243 L HA -0.183 4.169 4.340 0.020 0.000 0.210 243 L C 2.402 179.235 176.870 -0.062 0.000 1.081 243 L CA 0.995 55.787 54.840 -0.081 0.000 0.752 243 L CB -0.458 41.541 42.059 -0.100 0.000 0.896 243 L HN 0.112 nan 8.230 nan 0.000 0.433 244 L N -0.851 120.326 121.223 -0.078 0.000 2.072 244 L HA -0.144 4.208 4.340 0.020 0.000 0.205 244 L C 2.450 179.358 176.870 0.064 0.000 1.079 244 L CA 1.209 56.040 54.840 -0.016 0.000 0.752 244 L CB -0.571 41.460 42.059 -0.047 0.000 0.906 244 L HN 0.306 nan 8.230 nan 0.000 0.436 245 E N 0.249 120.506 120.200 0.095 0.000 2.051 245 E HA -0.168 4.194 4.350 0.020 0.000 0.192 245 E C 2.026 178.638 176.600 0.019 0.000 0.991 245 E CA 1.388 57.826 56.400 0.064 0.000 0.799 245 E CB -0.004 29.728 29.700 0.053 0.000 0.748 245 E HN 0.271 nan 8.360 nan 0.000 0.449 246 S N -0.224 115.478 115.700 0.003 0.000 2.653 246 S HA -0.015 4.468 4.470 0.020 0.000 0.233 246 S C 1.204 175.801 174.600 -0.005 0.000 0.970 246 S CA 0.567 58.763 58.200 -0.007 0.000 0.947 246 S CB 0.174 63.364 63.200 -0.016 0.000 0.771 246 S HN 0.316 nan 8.310 nan 0.000 0.538 247 A N -0.321 122.501 122.820 0.003 0.000 2.456 247 A HA 0.602 4.934 4.320 0.020 0.000 0.237 247 A C 1.395 178.988 177.584 0.015 0.000 1.217 247 A CA 0.407 52.447 52.037 0.004 0.000 0.962 247 A CB -0.070 18.931 19.000 0.001 0.000 1.079 247 A HN 0.756 nan 8.150 nan 0.000 0.536 248 G N -0.008 108.804 108.800 0.020 0.000 2.143 248 G HA2 -0.213 3.759 3.960 0.020 0.000 0.248 248 G HA3 -0.213 3.759 3.960 0.020 0.000 0.248 248 G C 0.041 174.966 174.900 0.041 0.000 0.991 248 G CA 0.304 45.416 45.100 0.020 0.000 0.689 248 G HN 0.503 nan 8.290 nan 0.000 0.522 249 I N 1.477 122.085 120.570 0.063 0.000 2.396 249 I HA 0.474 4.656 4.170 0.020 0.000 0.289 249 I C 1.042 177.219 176.117 0.099 0.000 1.056 249 I CA -0.133 61.226 61.300 0.098 0.000 1.365 249 I CB 1.325 39.385 38.000 0.101 0.000 1.407 249 I HN 0.296 nan 8.210 nan 0.000 0.509 250 A N 7.919 130.771 122.820 0.053 0.000 2.362 250 A HA 0.502 4.834 4.320 0.020 0.000 0.276 250 A C -0.701 176.868 177.584 -0.025 0.000 1.153 250 A CA -0.088 51.924 52.037 -0.041 0.000 0.813 250 A CB -0.058 18.917 19.000 -0.042 0.000 1.081 250 A HN 0.689 nan 8.150 nan 0.000 0.507 251 Y N -0.472 119.770 120.300 -0.096 0.000 2.634 251 Y HA 0.838 5.400 4.550 0.020 0.000 0.340 251 Y C -0.294 175.559 175.900 -0.078 0.000 1.058 251 Y CA -1.196 56.828 58.100 -0.126 0.000 1.081 251 Y CB 1.076 39.449 38.460 -0.146 0.000 1.295 251 Y HN 0.332 nan 8.280 nan 0.000 0.487 252 T N 2.150 116.781 114.554 0.129 0.000 2.812 252 T HA 0.482 4.844 4.350 0.020 0.000 0.282 252 T C -1.058 173.782 174.700 0.233 0.000 0.990 252 T CA -0.659 61.493 62.100 0.087 0.000 0.960 252 T CB 1.334 70.216 68.868 0.023 0.000 0.948 252 T HN 0.601 nan 8.240 nan 0.000 0.438 253 V N 4.366 124.431 119.914 0.253 0.000 2.432 253 V HA 0.358 4.490 4.120 0.020 0.000 0.271 253 V C 0.262 176.441 176.094 0.142 0.000 1.046 253 V CA -0.640 61.820 62.300 0.267 0.000 0.945 253 V CB 0.736 32.751 31.823 0.320 0.000 0.992 253 V HN 0.808 nan 8.190 nan 0.000 0.471 254 N N 3.654 122.416 118.700 0.103 0.000 2.569 254 N HA 0.265 5.017 4.740 0.020 0.000 0.254 254 N C 0.618 176.143 175.510 0.026 0.000 1.004 254 N CA -0.340 52.740 53.050 0.050 0.000 0.904 254 N CB 1.603 40.111 38.487 0.036 0.000 1.165 254 N HN 0.586 nan 8.380 nan 0.000 0.513 255 Q N 0.892 120.705 119.800 0.021 0.000 2.291 255 Q HA -0.031 4.321 4.340 0.020 0.000 0.205 255 Q C 1.375 177.366 176.000 -0.015 0.000 0.970 255 Q CA 0.761 56.563 55.803 -0.001 0.000 0.876 255 Q CB 0.176 28.919 28.738 0.007 0.000 0.935 255 Q HN 0.447 nan 8.270 nan 0.000 0.455 256 R N 0.936 121.430 120.500 -0.009 0.000 2.307 256 R HA -0.021 4.331 4.340 0.020 0.000 0.199 256 R C -0.063 176.223 176.300 -0.024 0.000 1.000 256 R CA 0.072 56.163 56.100 -0.014 0.000 1.023 256 R CB -0.296 29.998 30.300 -0.009 0.000 0.908 256 R HN 0.175 nan 8.270 nan 0.000 0.473 257 L N 2.795 124.000 121.223 -0.029 0.000 2.617 257 L HA 0.068 4.420 4.340 0.020 0.000 0.282 257 L C -0.460 176.370 176.870 -0.066 0.000 1.174 257 L CA -0.018 54.797 54.840 -0.042 0.000 1.016 257 L CB 0.427 42.464 42.059 -0.035 0.000 1.337 257 L HN -0.059 nan 8.230 nan 0.000 0.460 258 V N 2.838 122.718 119.914 -0.057 0.000 2.667 258 V HA 0.674 4.806 4.120 0.020 0.000 0.308 258 V C 0.407 176.457 176.094 -0.073 0.000 1.048 258 V CA -1.078 61.183 62.300 -0.064 0.000 0.928 258 V CB 1.609 33.412 31.823 -0.033 0.000 1.004 258 V HN 0.558 nan 8.190 nan 0.000 0.444 259 R N 2.369 122.807 120.500 -0.103 0.000 2.580 259 R HA 0.461 4.813 4.340 0.020 0.000 0.267 259 R C 1.205 177.504 176.300 -0.002 0.000 1.125 259 R CA 0.046 56.089 56.100 -0.094 0.000 1.188 259 R CB 1.053 31.198 30.300 -0.258 0.000 1.155 259 R HN 1.047 nan 8.270 nan 0.000 0.586 260 G N 0.701 109.512 108.800 0.018 0.000 3.314 260 G HA2 0.218 4.190 3.960 0.020 0.000 0.238 260 G HA3 0.218 4.190 3.960 0.020 0.000 0.238 260 G C 0.126 175.021 174.900 -0.009 0.000 1.184 260 G CA -0.054 45.051 45.100 0.008 0.000 0.806 260 G HN 0.179 nan 8.290 nan 0.000 0.536 261 L N 0.002 121.213 121.223 -0.019 0.000 2.386 261 L HA 0.395 4.747 4.340 0.020 0.000 0.271 261 L C -1.038 175.665 176.870 -0.279 0.000 0.993 261 L CA -0.970 53.739 54.840 -0.219 0.000 0.819 261 L CB 2.420 44.179 42.059 -0.500 0.000 1.294 261 L HN -0.167 nan 8.230 nan 0.000 0.414 262 D N 2.133 122.392 120.400 -0.235 0.000 3.134 262 D HA 0.117 4.769 4.640 0.020 0.000 0.248 262 D C 0.291 176.545 176.300 -0.076 0.000 1.273 262 D CA 0.243 54.181 54.000 -0.103 0.000 0.904 262 D CB 0.057 40.846 40.800 -0.020 0.000 1.089 262 D HN 0.467 nan 8.370 nan 0.000 0.478 263 Y N -2.555 117.690 120.300 -0.091 0.000 2.563 263 Y HA 0.325 4.886 4.550 0.019 0.000 0.250 263 Y C -0.276 175.617 175.900 -0.011 0.000 1.126 263 Y CA -1.123 56.929 58.100 -0.080 0.000 1.231 263 Y CB -1.057 37.322 38.460 -0.136 0.000 1.288 263 Y HN -0.219 nan 8.280 nan 0.000 0.537 264 Y N 3.976 124.437 120.300 0.268 0.000 2.336 264 Y HA 0.226 4.788 4.550 0.021 0.000 0.331 264 Y C 1.398 177.386 175.900 0.147 0.000 1.211 264 Y CA -0.051 58.200 58.100 0.251 0.000 1.346 264 Y CB 0.740 39.268 38.460 0.113 0.000 1.271 264 Y HN 0.300 nan 8.280 nan 0.000 0.538 265 N N 1.178 120.065 118.700 0.313 0.000 3.419 265 N HA 0.138 4.890 4.740 0.020 0.000 0.224 265 N C 1.069 176.622 175.510 0.071 0.000 1.114 265 N CA -0.047 53.093 53.050 0.150 0.000 1.144 265 N CB 0.319 38.868 38.487 0.104 0.000 1.459 265 N HN 0.452 nan 8.380 nan 0.000 0.632 266 R N 0.697 121.212 120.500 0.025 0.000 2.036 266 R HA 0.222 4.574 4.340 0.020 0.000 0.216 266 R C 0.311 176.607 176.300 -0.006 0.000 1.241 266 R CA 0.920 56.995 56.100 -0.043 0.000 0.964 266 R CB -0.844 29.347 30.300 -0.181 0.000 0.828 266 R HN 0.210 nan 8.270 nan 0.000 0.468 267 T N 2.004 116.624 114.554 0.111 0.000 2.853 267 T HA 0.216 4.579 4.350 0.020 0.000 0.298 267 T C -0.406 174.378 174.700 0.139 0.000 0.978 267 T CA 0.099 62.325 62.100 0.210 0.000 1.152 267 T CB 0.978 70.086 68.868 0.401 0.000 0.914 267 T HN -0.096 nan 8.240 nan 0.000 0.539 268 V N 5.294 125.244 119.914 0.059 0.000 2.638 268 V HA 0.770 4.903 4.120 0.020 0.000 0.306 268 V C -0.821 175.322 176.094 0.083 0.000 1.052 268 V CA -0.901 61.344 62.300 -0.092 0.000 0.885 268 V CB 1.428 33.127 31.823 -0.206 0.000 0.999 268 V HN 0.863 nan 8.190 nan 0.000 0.424 269 F N 1.912 121.819 119.950 -0.072 0.000 2.631 269 F HA 0.881 5.421 4.527 0.021 0.000 0.308 269 F C -0.772 175.004 175.800 -0.040 0.000 1.097 269 F CA -0.907 57.059 58.000 -0.057 0.000 0.952 269 F CB 1.920 40.892 39.000 -0.047 0.000 1.307 269 F HN 0.442 nan 8.300 nan 0.000 0.450 270 E N 1.451 121.745 120.200 0.157 0.000 2.290 270 E HA 0.322 4.684 4.350 0.020 0.000 0.274 270 E C -2.408 174.257 176.600 0.108 0.000 0.889 270 E CA -0.632 55.843 56.400 0.126 0.000 0.760 270 E CB 1.546 31.273 29.700 0.046 0.000 1.206 270 E HN 0.715 nan 8.360 nan 0.000 0.419 271 W N 3.958 125.385 121.300 0.212 0.000 2.308 271 W HA 0.428 5.100 4.660 0.020 0.000 0.311 271 W C -0.613 175.947 176.519 0.068 0.000 1.088 271 W CA -0.313 57.139 57.345 0.177 0.000 1.309 271 W CB 1.196 30.835 29.460 0.298 0.000 1.229 271 W HN 0.173 nan 8.180 nan 0.000 0.427 272 V N 3.291 123.328 119.914 0.205 0.000 2.769 272 V HA 0.650 4.782 4.120 0.020 0.000 0.312 272 V C 0.318 176.450 176.094 0.064 0.000 1.058 272 V CA -0.720 61.642 62.300 0.102 0.000 0.952 272 V CB 2.084 33.941 31.823 0.057 0.000 1.019 272 V HN 0.504 nan 8.190 nan 0.000 0.445 273 T N 0.355 114.920 114.554 0.018 0.000 2.930 273 T HA 0.574 4.936 4.350 0.020 0.000 0.290 273 T C -0.550 174.154 174.700 0.006 0.000 1.052 273 T CA -0.897 61.203 62.100 -0.001 0.000 1.017 273 T CB 1.965 70.805 68.868 -0.046 0.000 1.137 273 T HN 0.774 nan 8.240 nan 0.000 0.511 280 G N -0.279 108.507 108.800 -0.024 0.000 5.266 280 G HA2 -0.364 3.608 3.960 0.020 0.000 0.262 280 G HA3 -0.364 3.608 3.960 0.020 0.000 0.262 280 G C 0.359 175.263 174.900 0.007 0.000 1.359 280 G CA 0.467 45.561 45.100 -0.009 0.000 0.955 280 G HN 0.462 nan 8.290 nan 0.000 0.754 281 T N 1.601 116.166 114.554 0.017 0.000 2.834 281 T HA 0.460 4.823 4.350 0.020 0.000 0.298 281 T C 1.287 176.024 174.700 0.062 0.000 0.966 281 T CA 0.306 62.438 62.100 0.054 0.000 1.141 281 T CB 2.144 71.041 68.868 0.049 0.000 0.905 281 T HN 0.482 nan 8.240 nan 0.000 0.535 282 V N 1.683 121.655 119.914 0.096 0.000 3.085 282 V HA 0.185 4.317 4.120 0.020 0.000 0.245 282 V C 0.890 177.100 176.094 0.194 0.000 1.114 282 V CA 0.261 62.608 62.300 0.079 0.000 1.108 282 V CB 0.717 32.508 31.823 -0.052 0.000 0.798 282 V HN 1.010 nan 8.190 nan 0.000 0.471 283 C N 0.130 119.612 119.300 0.302 0.000 2.880 283 C HA 0.851 5.324 4.460 0.020 0.000 0.320 283 C C -0.625 174.590 174.990 0.375 0.000 1.176 283 C CA -0.041 59.216 59.018 0.399 0.000 1.390 283 C CB 0.715 28.763 27.740 0.513 0.000 1.846 283 C HN 0.506 nan 8.230 nan 0.000 0.478 284 A N 3.245 126.250 122.820 0.309 0.000 2.549 284 A HA 1.024 5.356 4.320 0.020 0.000 0.297 284 A C -0.332 177.268 177.584 0.028 0.000 1.061 284 A CA 0.302 52.417 52.037 0.130 0.000 0.690 284 A CB 1.480 20.535 19.000 0.092 0.000 1.287 284 A HN 2.379 nan 8.150 nan 0.000 0.402 285 G N -1.142 107.409 108.800 -0.415 0.000 2.430 285 G HA2 0.887 4.859 3.960 0.020 0.000 0.300 285 G HA3 0.887 4.859 3.960 0.020 0.000 0.300 285 G C -0.314 174.088 174.900 -0.831 0.000 1.330 285 G CA 0.367 45.225 45.100 -0.404 0.000 0.813 285 G HN 2.310 nan 8.290 nan 0.000 0.487 286 G N -1.258 107.401 108.800 -0.235 0.000 2.348 286 G HA2 0.579 4.551 3.960 0.020 0.000 0.296 286 G HA3 0.579 4.551 3.960 0.020 0.000 0.296 286 G C -1.441 173.747 174.900 0.479 0.000 1.258 286 G CA -0.537 44.545 45.100 -0.030 0.000 0.868 286 G HN 0.648 nan 8.290 nan 0.000 0.488 287 R N -0.739 120.039 120.500 0.463 0.000 2.598 287 R HA 0.670 5.022 4.340 0.020 0.000 0.279 287 R C -1.036 175.565 176.300 0.501 0.000 0.984 287 R CA -0.745 55.580 56.100 0.374 0.000 0.999 287 R CB 0.909 31.333 30.300 0.206 0.000 1.114 287 R HN 0.840 nan 8.270 nan 0.000 0.493 288 Y N 0.934 121.355 120.300 0.202 0.000 2.580 288 Y HA 0.320 4.883 4.550 0.022 0.000 0.305 288 Y C -0.602 175.349 175.900 0.086 0.000 1.069 288 Y CA -1.039 57.147 58.100 0.142 0.000 1.193 288 Y CB 0.160 38.623 38.460 0.005 0.000 1.126 288 Y HN 0.559 nan 8.280 nan 0.000 0.610 289 D N 1.371 121.779 120.400 0.014 0.000 2.264 289 D HA -0.077 4.575 4.640 0.020 0.000 0.208 289 D C 1.921 178.246 176.300 0.043 0.000 0.966 289 D CA 1.709 55.701 54.000 -0.014 0.000 0.864 289 D CB 0.077 40.876 40.800 -0.003 0.000 0.933 289 D HN 0.838 nan 8.370 nan 0.000 0.499 290 G N 0.504 109.355 108.800 0.085 0.000 2.539 290 G HA2 -0.111 3.862 3.960 0.020 0.000 0.215 290 G HA3 -0.111 3.862 3.960 0.020 0.000 0.215 290 G C 1.525 176.482 174.900 0.096 0.000 1.141 290 G CA -0.159 44.992 45.100 0.084 0.000 0.806 290 G HN 0.172 nan 8.290 nan 0.000 0.533 291 L N 1.286 122.593 121.223 0.141 0.000 2.265 291 L HA 0.002 4.354 4.340 0.020 0.000 0.215 291 L C 2.704 179.623 176.870 0.082 0.000 1.117 291 L CA 1.062 55.968 54.840 0.111 0.000 0.782 291 L CB -0.100 42.006 42.059 0.078 0.000 0.914 291 L HN 0.087 nan 8.230 nan 0.000 0.441 292 V N -1.065 118.905 119.914 0.093 0.000 2.453 292 V HA -0.238 3.895 4.120 0.020 0.000 0.247 292 V C 2.440 178.537 176.094 0.005 0.000 1.048 292 V CA 1.824 64.147 62.300 0.039 0.000 1.049 292 V CB -0.586 31.255 31.823 0.030 0.000 0.672 292 V HN 0.519 nan 8.190 nan 0.000 0.457 293 E N -0.259 119.950 120.200 0.016 0.000 2.112 293 E HA -0.188 4.174 4.350 0.020 0.000 0.190 293 E C 2.343 178.941 176.600 -0.003 0.000 0.979 293 E CA 0.751 57.151 56.400 -0.001 0.000 0.814 293 E CB -0.000 29.705 29.700 0.009 0.000 0.762 293 E HN 0.631 nan 8.360 nan 0.000 0.460 294 Q N 0.163 119.971 119.800 0.013 0.000 2.045 294 Q HA -0.164 4.188 4.340 0.020 0.000 0.206 294 Q C 2.041 178.037 176.000 -0.006 0.000 0.991 294 Q CA 1.247 57.058 55.803 0.012 0.000 0.851 294 Q CB -0.102 28.656 28.738 0.034 0.000 0.911 294 Q HN 0.353 nan 8.270 nan 0.000 0.418 295 L N -0.483 120.731 121.223 -0.014 0.000 2.675 295 L HA 0.079 4.431 4.340 0.020 0.000 0.239 295 L C 0.883 177.723 176.870 -0.049 0.000 1.151 295 L CA 0.446 55.264 54.840 -0.037 0.000 0.905 295 L CB -0.063 41.968 42.059 -0.046 0.000 1.057 295 L HN 0.465 nan 8.230 nan 0.000 0.435 296 G N -0.735 108.039 108.800 -0.044 0.000 2.154 296 G HA2 -0.148 3.824 3.960 0.020 0.000 0.186 296 G HA3 -0.148 3.824 3.960 0.020 0.000 0.186 296 G C 0.248 175.109 174.900 -0.065 0.000 1.000 296 G CA -0.386 44.681 45.100 -0.055 0.000 0.664 296 G HN 0.513 nan 8.290 nan 0.000 0.513 297 G N -0.886 107.878 108.800 -0.060 0.000 2.644 297 G HA2 0.694 4.666 3.960 0.020 0.000 0.307 297 G HA3 0.694 4.666 3.960 0.020 0.000 0.307 297 G C -0.125 174.730 174.900 -0.074 0.000 1.250 297 G CA -1.007 44.048 45.100 -0.075 0.000 0.996 297 G HN 0.383 nan 8.290 nan 0.000 0.489 298 R N -0.509 119.927 120.500 -0.106 0.000 2.641 298 R HA 0.463 4.815 4.340 0.020 0.000 0.269 298 R C 0.641 176.948 176.300 0.012 0.000 1.074 298 R CA -0.004 56.036 56.100 -0.101 0.000 1.133 298 R CB 0.845 30.963 30.300 -0.303 0.000 1.029 298 R HN 0.595 nan 8.270 nan 0.000 0.488 299 A N 1.841 124.681 122.820 0.033 0.000 2.488 299 A HA 0.212 4.544 4.320 0.020 0.000 0.249 299 A C -0.077 177.565 177.584 0.098 0.000 1.083 299 A CA 0.602 52.674 52.037 0.058 0.000 0.768 299 A CB 0.536 19.564 19.000 0.048 0.000 1.017 299 A HN 0.554 nan 8.150 nan 0.000 0.496 300 T N 3.964 118.569 114.554 0.086 0.000 2.993 300 T HA 0.589 4.951 4.350 0.020 0.000 0.312 300 T C -2.992 171.755 174.700 0.078 0.000 1.115 300 T CA -0.929 61.229 62.100 0.096 0.000 1.027 300 T CB 1.513 70.448 68.868 0.113 0.000 1.116 300 T HN 0.426 nan 8.240 nan 0.000 0.464 301 P HA 0.585 nan 4.420 nan 0.000 0.271 301 P C -1.582 175.689 177.300 -0.049 0.000 1.218 301 P CA -0.352 62.748 63.100 -0.000 0.000 0.780 301 P CB 0.663 32.370 31.700 0.012 0.000 0.901 302 A N 1.625 124.300 122.820 -0.241 0.000 2.589 302 A HA 0.707 5.039 4.320 0.020 0.000 0.296 302 A C -1.380 175.750 177.584 -0.757 0.000 1.062 302 A CA -0.498 51.195 52.037 -0.572 0.000 0.686 302 A CB 1.203 19.774 19.000 -0.714 0.000 1.282 302 A HN 0.286 nan 8.150 nan 0.000 0.404 303 V N -0.634 118.948 119.914 -0.553 0.000 3.178 303 V HA 1.016 5.148 4.120 0.020 0.000 0.302 303 V C 0.309 176.486 176.094 0.139 0.000 1.262 303 V CA -0.061 62.200 62.300 -0.066 0.000 1.030 303 V CB 1.414 33.306 31.823 0.115 0.000 1.074 303 V HN 2.302 nan 8.190 nan 0.000 0.438 304 G N 0.897 109.932 108.800 0.391 0.000 2.342 304 G HA2 0.804 4.776 3.960 0.020 0.000 0.297 304 G HA3 0.804 4.776 3.960 0.020 0.000 0.297 304 G C -1.819 173.295 174.900 0.356 0.000 1.313 304 G CA 0.057 45.308 45.100 0.252 0.000 0.830 304 G HN 1.818 nan 8.290 nan 0.000 0.506 305 F N -2.349 117.762 119.950 0.269 0.000 2.779 305 F HA 0.957 5.496 4.527 0.020 0.000 0.316 305 F C -0.493 175.450 175.800 0.239 0.000 1.164 305 F CA -1.308 56.837 58.000 0.242 0.000 0.924 305 F CB 1.354 40.573 39.000 0.365 0.000 1.348 305 F HN 1.506 nan 8.300 nan 0.000 0.467 306 A N 2.033 125.208 122.820 0.592 0.000 2.547 306 A HA 0.771 5.103 4.320 0.020 0.000 0.297 306 A C -1.733 176.158 177.584 0.512 0.000 1.056 306 A CA -0.586 51.735 52.037 0.473 0.000 0.688 306 A CB 1.937 21.168 19.000 0.384 0.000 1.282 306 A HN 1.218 nan 8.150 nan 0.000 0.400 307 M N 2.112 121.982 119.600 0.450 0.000 2.464 307 M HA 0.656 5.148 4.480 0.020 0.000 0.308 307 M C 0.038 176.511 176.300 0.288 0.000 1.127 307 M CA -0.407 55.113 55.300 0.367 0.000 0.913 307 M CB 1.949 34.772 32.600 0.373 0.000 1.689 307 M HN 0.931 nan 8.290 nan 0.000 0.445 308 G N 4.062 113.004 108.800 0.237 0.000 2.530 308 G HA2 0.376 4.348 3.960 0.020 0.000 0.313 308 G HA3 0.376 4.348 3.960 0.020 0.000 0.313 308 G C 0.400 175.403 174.900 0.171 0.000 0.971 308 G CA -0.478 44.764 45.100 0.237 0.000 1.237 308 G HN 0.730 nan 8.290 nan 0.000 0.446 309 L N 2.028 123.365 121.223 0.189 0.000 2.263 309 L HA -0.110 4.242 4.340 0.020 0.000 0.216 309 L C 2.527 179.375 176.870 -0.036 0.000 1.111 309 L CA 1.432 56.299 54.840 0.044 0.000 0.773 309 L CB -0.363 41.786 42.059 0.151 0.000 0.906 309 L HN 0.460 nan 8.230 nan 0.000 0.439 310 E N -1.332 118.995 120.200 0.213 0.000 2.107 310 E HA -0.163 4.199 4.350 0.020 0.000 0.191 310 E C 2.357 179.007 176.600 0.084 0.000 0.982 310 E CA 0.582 57.131 56.400 0.248 0.000 0.809 310 E CB -0.082 29.914 29.700 0.493 0.000 0.756 310 E HN 0.164 nan 8.360 nan 0.000 0.459 311 R N 0.133 120.670 120.500 0.062 0.000 2.090 311 R HA -0.008 4.345 4.340 0.020 0.000 0.228 311 R C 1.965 178.201 176.300 -0.107 0.000 1.110 311 R CA 0.557 56.652 56.100 -0.008 0.000 0.973 311 R CB -0.565 29.739 30.300 0.008 0.000 0.869 311 R HN 0.192 nan 8.270 nan 0.000 0.440 312 L N -0.120 121.016 121.223 -0.145 0.000 1.976 312 L HA -0.116 4.237 4.340 0.020 0.000 0.209 312 L C 1.951 178.621 176.870 -0.334 0.000 1.071 312 L CA 1.726 56.425 54.840 -0.235 0.000 0.746 312 L CB -0.939 40.986 42.059 -0.222 0.000 0.890 312 L HN 0.041 nan 8.230 nan 0.000 0.432 313 V N -0.091 119.549 119.914 -0.456 0.000 2.278 313 V HA -0.363 3.770 4.120 0.020 0.000 0.251 313 V C 2.710 178.595 176.094 -0.348 0.000 1.062 313 V CA 2.279 64.243 62.300 -0.559 0.000 1.038 313 V CB -0.644 30.652 31.823 -0.879 0.000 0.646 313 V HN 0.482 nan 8.190 nan 0.000 0.447 314 L N -1.135 119.958 121.223 -0.216 0.000 2.083 314 L HA -0.192 4.160 4.340 0.020 0.000 0.209 314 L C 2.387 179.158 176.870 -0.165 0.000 1.083 314 L CA 1.299 56.060 54.840 -0.130 0.000 0.752 314 L CB -0.457 41.572 42.059 -0.049 0.000 0.899 314 L HN 0.366 nan 8.230 nan 0.000 0.433 315 L N -1.021 120.079 121.223 -0.204 0.000 2.044 315 L HA -0.108 4.245 4.340 0.020 0.000 0.205 315 L C 2.318 179.023 176.870 -0.275 0.000 1.075 315 L CA 1.505 56.207 54.840 -0.230 0.000 0.747 315 L CB -0.365 41.544 42.059 -0.250 0.000 0.903 315 L HN -0.118 nan 8.230 nan 0.000 0.435 316 V N 0.049 119.767 119.914 -0.327 0.000 2.220 316 V HA -0.378 3.754 4.120 0.020 0.000 0.246 316 V C 2.611 178.518 176.094 -0.311 0.000 1.049 316 V CA 2.285 64.353 62.300 -0.387 0.000 1.003 316 V CB -0.699 30.756 31.823 -0.612 0.000 0.634 316 V HN 0.582 nan 8.190 nan 0.000 0.444 317 Q N -0.502 119.127 119.800 -0.285 0.000 2.242 317 Q HA -0.283 4.069 4.340 0.020 0.000 0.211 317 Q C 2.230 178.160 176.000 -0.115 0.000 0.992 317 Q CA 2.005 57.711 55.803 -0.162 0.000 0.889 317 Q CB -0.392 28.268 28.738 -0.129 0.000 0.913 317 Q HN 0.728 nan 8.270 nan 0.000 0.422 318 A N -0.297 122.437 122.820 -0.143 0.000 1.903 318 A HA -0.008 4.324 4.320 0.020 0.000 0.213 318 A C 2.120 179.614 177.584 -0.150 0.000 1.185 318 A CA 0.677 52.640 52.037 -0.124 0.000 0.628 318 A CB -0.063 18.860 19.000 -0.130 0.000 0.830 318 A HN 0.201 nan 8.150 nan 0.000 0.446 319 V N 0.424 120.200 119.914 -0.230 0.000 3.235 319 V HA 0.019 4.151 4.120 0.020 0.000 0.259 319 V C 1.235 177.235 176.094 -0.156 0.000 1.133 319 V CA 1.156 63.274 62.300 -0.303 0.000 1.128 319 V CB -0.366 31.103 31.823 -0.589 0.000 0.757 319 V HN 0.566 nan 8.190 nan 0.000 0.469 320 N N -0.631 118.003 118.700 -0.110 0.000 2.235 320 N HA 0.118 4.870 4.740 0.020 0.000 0.231 320 N C -1.658 173.875 175.510 0.037 0.000 1.177 320 N CA -0.726 52.314 53.050 -0.017 0.000 0.874 320 N CB 0.828 39.309 38.487 -0.010 0.000 1.097 320 N HN 0.281 nan 8.380 nan 0.000 0.518 321 P HA -0.255 nan 4.420 nan 0.000 0.238 321 P C -0.003 177.336 177.300 0.065 0.000 1.056 321 P CA 1.613 64.731 63.100 0.029 0.000 1.038 321 P CB 0.024 31.733 31.700 0.014 0.000 0.721 322 E N -1.659 118.581 120.200 0.068 0.000 2.773 322 E HA 0.197 4.559 4.350 0.020 0.000 0.302 322 E C -0.526 176.136 176.600 0.102 0.000 1.574 322 E CA -0.018 56.419 56.400 0.061 0.000 1.775 322 E CB -1.630 28.090 29.700 0.034 0.000 1.413 322 E HN 0.246 nan 8.360 nan 0.000 0.471 323 F N 1.067 121.002 119.950 -0.025 0.000 2.359 323 F HA 0.355 4.894 4.527 0.020 0.000 0.370 323 F C -0.295 175.491 175.800 -0.023 0.000 1.077 323 F CA -1.051 56.931 58.000 -0.029 0.000 1.136 323 F CB 0.327 39.298 39.000 -0.049 0.000 1.387 323 F HN -0.234 nan 8.300 nan 0.000 0.468 324 K N 2.984 123.342 120.400 -0.071 0.000 2.106 324 K HA 0.852 5.184 4.320 0.020 0.000 0.246 324 K C -0.457 176.070 176.600 -0.122 0.000 0.987 324 K CA -0.588 55.678 56.287 -0.036 0.000 0.904 324 K CB 1.410 33.886 32.500 -0.039 0.000 1.071 324 K HN 0.482 nan 8.250 nan 0.000 0.453 325 A N 0.571 123.374 122.820 -0.029 0.000 2.344 325 A HA 0.514 4.846 4.320 0.020 0.000 0.307 325 A C -1.108 176.465 177.584 -0.017 0.000 1.151 325 A CA -0.778 51.241 52.037 -0.029 0.000 0.842 325 A CB 0.409 19.438 19.000 0.049 0.000 1.350 325 A HN 0.725 nan 8.150 nan 0.000 0.459 326 D N 2.178 122.571 120.400 -0.011 0.000 2.424 326 D HA 0.393 5.045 4.640 0.020 0.000 0.244 326 D C -1.798 174.521 176.300 0.031 0.000 1.134 326 D CA -0.024 53.978 54.000 0.003 0.000 0.881 326 D CB 0.355 41.156 40.800 0.002 0.000 1.191 326 D HN 0.373 nan 8.370 nan 0.000 0.445 327 P HA -0.041 nan 4.420 nan 0.000 0.271 327 P C 0.810 178.155 177.300 0.075 0.000 1.244 327 P CA -0.435 62.706 63.100 0.067 0.000 0.793 327 P CB 0.809 32.551 31.700 0.070 0.000 0.984 328 V N -1.087 118.895 119.914 0.113 0.000 2.446 328 V HA 0.024 4.156 4.120 0.020 0.000 0.244 328 V C 0.923 177.045 176.094 0.047 0.000 1.039 328 V CA 0.894 63.247 62.300 0.089 0.000 1.045 328 V CB -0.749 31.155 31.823 0.136 0.000 0.681 328 V HN 0.231 nan 8.190 nan 0.000 0.459 329 V N 1.574 121.539 119.914 0.084 0.000 2.555 329 V HA 0.481 4.614 4.120 0.020 0.000 0.302 329 V C 0.227 176.370 176.094 0.081 0.000 1.038 329 V CA -0.342 61.990 62.300 0.053 0.000 0.887 329 V CB 1.522 33.379 31.823 0.056 0.000 0.991 329 V HN 0.260 nan 8.190 nan 0.000 0.434 330 D N 2.452 122.888 120.400 0.061 0.000 2.369 330 D HA 0.272 4.924 4.640 0.020 0.000 0.231 330 D C 0.395 176.746 176.300 0.085 0.000 0.967 330 D CA 1.117 55.157 54.000 0.065 0.000 0.905 330 D CB 0.634 41.461 40.800 0.044 0.000 1.044 330 D HN 0.415 nan 8.370 nan 0.000 0.487 331 I N 0.747 121.366 120.570 0.081 0.000 2.406 331 I HA 0.187 4.369 4.170 0.020 0.000 0.290 331 I C -1.106 175.097 176.117 0.143 0.000 0.999 331 I CA -1.004 60.355 61.300 0.098 0.000 1.124 331 I CB 1.807 39.837 38.000 0.051 0.000 1.289 331 I HN -0.163 nan 8.210 nan 0.000 0.441 332 Y N 6.808 127.123 120.300 0.024 0.000 2.328 332 Y HA 0.447 5.009 4.550 0.020 0.000 0.337 332 Y C -0.667 175.216 175.900 -0.029 0.000 1.008 332 Y CA -0.704 57.392 58.100 -0.006 0.000 1.129 332 Y CB 1.498 39.983 38.460 0.042 0.000 1.185 332 Y HN 0.444 nan 8.280 nan 0.000 0.476 333 L N 7.451 128.422 121.223 -0.419 0.000 2.282 333 L HA 0.408 4.761 4.340 0.020 0.000 0.287 333 L C -0.934 175.629 176.870 -0.511 0.000 1.075 333 L CA -0.416 54.213 54.840 -0.351 0.000 0.839 333 L CB 0.101 41.983 42.059 -0.295 0.000 1.219 333 L HN 0.469 nan 8.230 nan 0.000 0.434 334 V N 4.511 124.234 119.914 -0.318 0.000 2.686 334 V HA 0.634 4.766 4.120 0.020 0.000 0.295 334 V C 0.406 176.329 176.094 -0.286 0.000 1.055 334 V CA 0.016 62.111 62.300 -0.341 0.000 1.050 334 V CB 1.193 32.814 31.823 -0.337 0.000 0.984 334 V HN 0.858 nan 8.190 nan 0.000 0.482 335 A N 3.781 126.383 122.820 -0.362 0.000 2.491 335 A HA 0.737 5.069 4.320 0.020 0.000 0.293 335 A C -0.677 176.691 177.584 -0.360 0.000 1.047 335 A CA -0.342 51.531 52.037 -0.273 0.000 0.735 335 A CB 1.988 20.872 19.000 -0.194 0.000 1.281 335 A HN 0.711 nan 8.150 nan 0.000 0.398 336 S N 0.484 115.977 115.700 -0.344 0.000 2.618 336 S HA 0.954 5.436 4.470 0.020 0.000 0.277 336 S C -0.204 174.361 174.600 -0.057 0.000 1.138 336 S CA 0.734 58.757 58.200 -0.294 0.000 0.844 336 S CB 1.794 64.638 63.200 -0.595 0.000 1.127 336 S HN 2.806 nan 8.310 nan 0.000 0.474 337 G N 0.781 109.570 108.800 -0.018 0.000 2.515 337 G HA2 0.452 4.424 3.960 0.020 0.000 0.686 337 G HA3 0.452 4.424 3.960 0.020 0.000 0.686 337 G C -0.294 174.612 174.900 0.010 0.000 1.274 337 G CA -0.307 44.812 45.100 0.033 0.000 0.874 337 G HN 1.458 nan 8.290 nan 0.000 0.631 338 A N 0.505 123.335 122.820 0.017 0.000 2.548 338 A HA 0.493 4.825 4.320 0.020 0.000 0.247 338 A C 1.197 178.784 177.584 0.004 0.000 1.067 338 A CA 1.700 53.742 52.037 0.009 0.000 0.757 338 A CB -0.102 18.905 19.000 0.012 0.000 0.996 338 A HN 2.285 nan 8.150 nan 0.000 0.504 339 D N 1.607 122.006 120.400 -0.002 0.000 2.702 339 D HA -0.174 4.478 4.640 0.020 0.000 0.233 339 D C 1.342 177.638 176.300 -0.007 0.000 1.164 339 D CA 1.798 55.795 54.000 -0.005 0.000 0.638 339 D CB -0.960 39.839 40.800 -0.002 0.000 1.041 339 D HN 0.848 nan 8.370 nan 0.000 0.422 340 T N -4.315 110.231 114.554 -0.012 0.000 3.023 340 T HA -0.087 4.275 4.350 0.020 0.000 0.266 340 T C 1.709 176.392 174.700 -0.029 0.000 1.093 340 T CA 0.540 62.630 62.100 -0.018 0.000 1.129 340 T CB 0.102 68.957 68.868 -0.021 0.000 0.899 340 T HN 0.110 nan 8.240 nan 0.000 0.491 341 Q N 1.565 121.348 119.800 -0.028 0.000 2.135 341 Q HA -0.080 4.272 4.340 0.020 0.000 0.204 341 Q C 2.680 178.671 176.000 -0.014 0.000 0.981 341 Q CA 1.842 57.630 55.803 -0.024 0.000 0.856 341 Q CB -0.449 28.288 28.738 -0.001 0.000 0.902 341 Q HN 0.713 nan 8.270 nan 0.000 0.425 342 S N 0.754 116.448 115.700 -0.010 0.000 2.402 342 S HA -0.071 4.412 4.470 0.020 0.000 0.229 342 S C 2.049 176.640 174.600 -0.015 0.000 1.021 342 S CA 0.899 59.094 58.200 -0.008 0.000 0.974 342 S CB -0.230 62.966 63.200 -0.007 0.000 0.800 342 S HN 0.455 nan 8.310 nan 0.000 0.484 343 A N 2.334 125.144 122.820 -0.018 0.000 1.858 343 A HA 0.174 4.506 4.320 0.020 0.000 0.216 343 A C 2.480 180.044 177.584 -0.033 0.000 1.190 343 A CA 1.706 53.731 52.037 -0.021 0.000 0.617 343 A CB -1.465 17.525 19.000 -0.017 0.000 0.827 343 A HN 0.555 nan 8.150 nan 0.000 0.443 344 A N -0.666 122.125 122.820 -0.048 0.000 1.884 344 A HA -0.257 4.075 4.320 0.020 0.000 0.219 344 A C 2.327 179.863 177.584 -0.080 0.000 1.197 344 A CA 2.235 54.225 52.037 -0.079 0.000 0.637 344 A CB -0.641 18.289 19.000 -0.115 0.000 0.827 344 A HN 0.538 nan 8.150 nan 0.000 0.450 345 M N -0.941 118.624 119.600 -0.058 0.000 2.159 345 M HA -0.151 4.341 4.480 0.020 0.000 0.263 345 M C 2.423 178.704 176.300 -0.031 0.000 1.063 345 M CA 1.300 56.577 55.300 -0.039 0.000 1.110 345 M CB -0.284 32.321 32.600 0.007 0.000 1.374 345 M HN 0.532 nan 8.290 nan 0.000 0.411 346 A N -0.056 122.749 122.820 -0.026 0.000 1.933 346 A HA -0.168 4.164 4.320 0.020 0.000 0.218 346 A C 1.977 179.546 177.584 -0.025 0.000 1.175 346 A CA 1.302 53.326 52.037 -0.021 0.000 0.628 346 A CB -0.722 18.268 19.000 -0.016 0.000 0.814 346 A HN 0.471 nan 8.150 nan 0.000 0.444 347 L N -0.333 120.871 121.223 -0.032 0.000 2.056 347 L HA 0.023 4.375 4.340 0.020 0.000 0.207 347 L C 2.643 179.491 176.870 -0.037 0.000 1.078 347 L CA 1.992 56.813 54.840 -0.032 0.000 0.749 347 L CB -0.784 41.254 42.059 -0.035 0.000 0.901 347 L HN 0.330 nan 8.230 nan 0.000 0.433 348 A N -0.668 122.120 122.820 -0.053 0.000 1.883 348 A HA -0.202 4.130 4.320 0.020 0.000 0.217 348 A C 2.154 179.714 177.584 -0.040 0.000 1.186 348 A CA 1.825 53.826 52.037 -0.060 0.000 0.624 348 A CB -0.605 18.343 19.000 -0.086 0.000 0.822 348 A HN 0.535 nan 8.150 nan 0.000 0.444 349 E N -0.608 119.573 120.200 -0.031 0.000 2.106 349 E HA -0.174 4.188 4.350 0.020 0.000 0.192 349 E C 2.201 178.791 176.600 -0.016 0.000 0.984 349 E CA 0.843 57.231 56.400 -0.021 0.000 0.806 349 E CB -0.367 29.323 29.700 -0.016 0.000 0.750 349 E HN 0.587 nan 8.360 nan 0.000 0.458 350 R N 0.926 121.417 120.500 -0.015 0.000 2.066 350 R HA -0.036 4.317 4.340 0.020 0.000 0.232 350 R C 2.469 178.764 176.300 -0.008 0.000 1.131 350 R CA 0.665 56.759 56.100 -0.010 0.000 0.955 350 R CB -0.401 29.893 30.300 -0.009 0.000 0.851 350 R HN 0.188 nan 8.270 nan 0.000 0.432 351 L N 0.364 121.580 121.223 -0.011 0.000 2.265 351 L HA -0.131 4.221 4.340 0.020 0.000 0.215 351 L C 2.647 179.513 176.870 -0.006 0.000 1.117 351 L CA 1.146 55.982 54.840 -0.007 0.000 0.782 351 L CB -0.254 41.799 42.059 -0.010 0.000 0.914 351 L HN 0.213 nan 8.230 nan 0.000 0.441 352 R N -0.272 120.221 120.500 -0.012 0.000 2.090 352 R HA -0.114 4.238 4.340 0.020 0.000 0.228 352 R C 1.791 178.088 176.300 -0.005 0.000 1.110 352 R CA 1.263 57.356 56.100 -0.010 0.000 0.973 352 R CB -0.206 30.085 30.300 -0.015 0.000 0.869 352 R HN 0.405 nan 8.270 nan 0.000 0.440 353 D N 0.617 121.015 120.400 -0.004 0.000 2.144 353 D HA -0.140 4.512 4.640 0.020 0.000 0.200 353 D C 1.438 177.739 176.300 0.002 0.000 0.978 353 D CA 1.218 55.218 54.000 -0.001 0.000 0.833 353 D CB 0.057 40.856 40.800 -0.001 0.000 0.961 353 D HN 0.398 nan 8.370 nan 0.000 0.470 354 E N -0.163 120.039 120.200 0.003 0.000 2.250 354 E HA 0.075 4.437 4.350 0.020 0.000 0.192 354 E C 0.424 177.029 176.600 0.009 0.000 0.986 354 E CA 0.211 56.615 56.400 0.007 0.000 0.849 354 E CB 0.469 30.174 29.700 0.010 0.000 0.797 354 E HN 0.166 nan 8.360 nan 0.000 0.482 355 L N 2.272 123.499 121.223 0.007 0.000 2.435 355 L HA 0.343 4.695 4.340 0.020 0.000 0.253 355 L C -2.528 174.345 176.870 0.006 0.000 1.087 355 L CA -2.017 52.828 54.840 0.009 0.000 0.950 355 L CB 1.006 43.071 42.059 0.011 0.000 1.304 355 L HN -0.254 nan 8.230 nan 0.000 0.453 356 P HA 0.134 nan 4.420 nan 0.000 0.267 356 P C 0.917 178.221 177.300 0.006 0.000 1.209 356 P CA 0.428 63.531 63.100 0.005 0.000 0.763 356 P CB 0.902 32.606 31.700 0.006 0.000 0.816 357 G N 1.508 110.311 108.800 0.004 0.000 2.137 357 G HA2 -0.178 3.794 3.960 0.020 0.000 0.237 357 G HA3 -0.178 3.794 3.960 0.020 0.000 0.237 357 G C -0.032 174.871 174.900 0.005 0.000 1.002 357 G CA -0.387 44.716 45.100 0.005 0.000 0.702 357 G HN 0.518 nan 8.290 nan 0.000 0.515 358 V N 0.432 120.348 119.914 0.004 0.000 2.472 358 V HA 0.395 4.527 4.120 0.020 0.000 0.290 358 V C 0.687 176.781 176.094 0.000 0.000 1.037 358 V CA -0.624 61.680 62.300 0.006 0.000 0.908 358 V CB 1.678 33.507 31.823 0.009 0.000 0.985 358 V HN 0.307 nan 8.190 nan 0.000 0.454 359 K N 5.522 125.923 120.400 0.002 0.000 2.220 359 K HA 0.423 4.755 4.320 0.020 0.000 0.283 359 K C -0.678 175.915 176.600 -0.012 0.000 1.098 359 K CA 0.031 56.313 56.287 -0.009 0.000 0.928 359 K CB 0.566 33.065 32.500 -0.002 0.000 1.214 359 K HN 0.474 nan 8.250 nan 0.000 0.442 360 L N 3.842 125.047 121.223 -0.030 0.000 2.322 360 L HA 0.501 4.853 4.340 0.020 0.000 0.281 360 L C -1.045 175.774 176.870 -0.085 0.000 1.014 360 L CA -0.639 54.177 54.840 -0.039 0.000 0.815 360 L CB 1.325 43.359 42.059 -0.040 0.000 1.247 360 L HN 0.608 nan 8.230 nan 0.000 0.421 361 M N 3.699 123.239 119.600 -0.100 0.000 2.311 361 M HA 0.405 4.897 4.480 0.020 0.000 0.325 361 M C -0.861 175.224 176.300 -0.359 0.000 1.061 361 M CA -0.385 54.808 55.300 -0.180 0.000 0.957 361 M CB 1.942 34.448 32.600 -0.157 0.000 1.646 361 M HN 0.553 nan 8.290 nan 0.000 0.434 362 T N 3.654 117.963 114.554 -0.407 0.000 2.780 362 T HA 0.185 4.547 4.350 0.020 0.000 0.294 362 T C -0.166 174.072 174.700 -0.770 0.000 0.949 362 T CA -0.316 61.432 62.100 -0.587 0.000 1.074 362 T CB 0.219 68.780 68.868 -0.512 0.000 0.910 362 T HN 0.703 nan 8.240 nan 0.000 0.501 363 N N 2.670 120.862 118.700 -0.847 0.000 2.454 363 N HA -0.010 4.743 4.740 0.020 0.000 0.254 363 N C -0.547 174.693 175.510 -0.450 0.000 1.228 363 N CA 0.441 53.168 53.050 -0.538 0.000 0.900 363 N CB 0.365 38.606 38.487 -0.411 0.000 1.089 363 N HN 0.532 nan 8.380 nan 0.000 0.449 364 H N 1.092 120.121 119.070 -0.067 0.000 2.865 364 H HA 0.408 4.976 4.556 0.020 0.000 0.372 364 H C 0.657 175.970 175.328 -0.025 0.000 1.173 364 H CA -0.079 55.936 56.048 -0.054 0.000 1.147 364 H CB 1.893 31.632 29.762 -0.038 0.000 1.805 364 H HN 0.812 nan 8.280 nan 0.000 0.553 365 G N 0.751 109.621 108.800 0.117 0.000 2.143 365 G HA2 -0.057 3.915 3.960 0.020 0.000 0.248 365 G HA3 -0.057 3.915 3.960 0.020 0.000 0.248 365 G C 0.792 175.703 174.900 0.018 0.000 0.991 365 G CA 0.872 46.003 45.100 0.052 0.000 0.689 365 G HN 1.393 nan 8.290 nan 0.000 0.522 366 G N -1.052 107.743 108.800 -0.008 0.000 2.569 366 G HA2 0.466 4.438 3.960 0.020 0.000 0.259 366 G HA3 0.466 4.438 3.960 0.020 0.000 0.259 366 G C 1.212 176.081 174.900 -0.053 0.000 1.263 366 G CA 1.319 46.391 45.100 -0.046 0.000 0.928 366 G HN 2.799 nan 8.290 nan 0.000 0.572 367 G N -1.553 107.212 108.800 -0.058 0.000 2.697 367 G HA2 0.480 4.452 3.960 0.020 0.000 0.684 367 G HA3 0.480 4.452 3.960 0.020 0.000 0.684 367 G C -0.419 174.426 174.900 -0.091 0.000 1.274 367 G CA 0.446 45.517 45.100 -0.048 0.000 0.806 367 G HN 2.525 nan 8.290 nan 0.000 0.644 368 N N 0.168 118.852 118.700 -0.027 0.000 2.399 368 N HA 0.510 5.263 4.740 0.020 0.000 0.250 368 N C 1.183 176.695 175.510 0.005 0.000 1.272 368 N CA -0.493 52.563 53.050 0.011 0.000 0.928 368 N CB 0.340 38.888 38.487 0.101 0.000 1.158 368 N HN 0.334 nan 8.380 nan 0.000 0.463 369 F N -0.594 119.382 119.950 0.043 0.000 2.154 369 F HA -0.143 4.396 4.527 0.021 0.000 0.301 369 F C 2.375 178.281 175.800 0.177 0.000 1.087 369 F CA 1.674 59.700 58.000 0.044 0.000 1.274 369 F CB -0.247 38.868 39.000 0.192 0.000 1.009 369 F HN 0.603 nan 8.300 nan 0.000 0.485 370 K N 0.572 121.209 120.400 0.395 0.000 2.026 370 K HA -0.207 4.125 4.320 0.020 0.000 0.208 370 K C 2.012 178.745 176.600 0.222 0.000 1.048 370 K CA 1.580 58.067 56.287 0.333 0.000 0.929 370 K CB -0.057 32.568 32.500 0.208 0.000 0.713 370 K HN 0.110 nan 8.250 nan 0.000 0.439 371 K N 0.320 120.795 120.400 0.125 0.000 2.002 371 K HA -0.170 4.163 4.320 0.020 0.000 0.209 371 K C 2.287 178.917 176.600 0.049 0.000 1.048 371 K CA 1.885 58.213 56.287 0.068 0.000 0.930 371 K CB -0.086 32.437 32.500 0.039 0.000 0.714 371 K HN 0.243 nan 8.250 nan 0.000 0.438 372 Q N -0.422 119.374 119.800 -0.006 0.000 2.234 372 Q HA -0.163 4.190 4.340 0.020 0.000 0.206 372 Q C 1.878 177.842 176.000 -0.060 0.000 0.980 372 Q CA 1.315 57.099 55.803 -0.031 0.000 0.869 372 Q CB -0.098 28.514 28.738 -0.210 0.000 0.912 372 Q HN 0.248 nan 8.270 nan 0.000 0.436 373 F N 0.148 120.172 119.950 0.123 0.000 2.234 373 F HA -0.022 4.517 4.527 0.020 0.000 0.296 373 F C 2.361 178.163 175.800 0.003 0.000 1.089 373 F CA 0.818 58.874 58.000 0.093 0.000 1.343 373 F CB -0.651 38.416 39.000 0.111 0.000 1.040 373 F HN 0.015 nan 8.300 nan 0.000 0.498 374 A N 0.047 122.969 122.820 0.169 0.000 1.908 374 A HA -0.222 4.111 4.320 0.020 0.000 0.218 374 A C 2.254 179.799 177.584 -0.066 0.000 1.181 374 A CA 1.784 53.849 52.037 0.046 0.000 0.627 374 A CB -0.668 18.354 19.000 0.036 0.000 0.818 374 A HN 0.248 nan 8.150 nan 0.000 0.445 375 R N -0.424 120.011 120.500 -0.107 0.000 2.091 375 R HA -0.073 4.279 4.340 0.020 0.000 0.238 375 R C 2.391 178.441 176.300 -0.417 0.000 1.136 375 R CA 1.464 57.428 56.100 -0.226 0.000 0.959 375 R CB -0.539 29.693 30.300 -0.113 0.000 0.856 375 R HN 0.520 nan 8.270 nan 0.000 0.437 376 A N 0.826 123.327 122.820 -0.531 0.000 1.933 376 A HA -0.191 4.141 4.320 0.020 0.000 0.218 376 A C 1.496 179.022 177.584 -0.097 0.000 1.175 376 A CA 1.888 53.667 52.037 -0.430 0.000 0.628 376 A CB -0.402 18.557 19.000 -0.068 0.000 0.814 376 A HN 0.223 nan 8.150 nan 0.000 0.444 377 D N -0.402 119.963 120.400 -0.059 0.000 2.117 377 D HA -0.135 4.517 4.640 0.020 0.000 0.198 377 D C 1.885 178.128 176.300 -0.097 0.000 0.982 377 D CA 1.261 55.240 54.000 -0.034 0.000 0.828 377 D CB -0.276 40.516 40.800 -0.013 0.000 0.967 377 D HN 0.517 nan 8.370 nan 0.000 0.464 378 K N 0.205 120.477 120.400 -0.214 0.000 2.074 378 K HA -0.179 4.153 4.320 0.020 0.000 0.209 378 K C 1.768 178.117 176.600 -0.418 0.000 1.048 378 K CA 1.146 57.205 56.287 -0.381 0.000 0.926 378 K CB -0.266 31.869 32.500 -0.608 0.000 0.713 378 K HN 0.239 nan 8.250 nan 0.000 0.444 379 W N -0.056 121.180 121.300 -0.107 0.000 3.047 379 W HA 0.151 4.823 4.660 0.019 0.000 0.250 379 W C 1.053 177.554 176.519 -0.030 0.000 1.314 379 W CA 0.355 57.663 57.345 -0.063 0.000 1.540 379 W CB 0.269 29.685 29.460 -0.073 0.000 1.127 379 W HN 0.416 nan 8.180 nan 0.000 0.679 380 G N 0.530 109.412 108.800 0.137 0.000 2.149 380 G HA2 -0.108 3.864 3.960 0.020 0.000 0.235 380 G HA3 -0.108 3.864 3.960 0.020 0.000 0.235 380 G C 0.169 175.135 174.900 0.110 0.000 1.018 380 G CA -0.401 44.758 45.100 0.099 0.000 0.728 380 G HN 0.461 nan 8.290 nan 0.000 0.508 381 A N -0.670 122.226 122.820 0.127 0.000 2.440 381 A HA 0.739 5.071 4.320 0.020 0.000 0.251 381 A C 1.293 178.939 177.584 0.104 0.000 1.089 381 A CA 0.750 52.864 52.037 0.129 0.000 0.779 381 A CB 0.377 19.477 19.000 0.167 0.000 1.022 381 A HN 0.432 nan 8.150 nan 0.000 0.492 382 R N 1.007 121.562 120.500 0.092 0.000 2.100 382 R HA 0.158 4.510 4.340 0.020 0.000 0.220 382 R C 0.029 176.383 176.300 0.090 0.000 1.091 382 R CA 1.025 57.171 56.100 0.076 0.000 0.986 382 R CB 0.074 30.410 30.300 0.059 0.000 0.888 382 R HN 0.537 nan 8.270 nan 0.000 0.444 383 V N -0.438 119.542 119.914 0.110 0.000 2.914 383 V HA 0.748 4.881 4.120 0.020 0.000 0.314 383 V C -0.895 175.304 176.094 0.175 0.000 1.084 383 V CA -1.226 61.149 62.300 0.124 0.000 0.963 383 V CB 1.919 33.800 31.823 0.097 0.000 1.025 383 V HN 0.169 nan 8.190 nan 0.000 0.432 384 A N 2.629 125.578 122.820 0.215 0.000 2.355 384 A HA 0.872 5.204 4.320 0.020 0.000 0.317 384 A C -1.046 176.655 177.584 0.196 0.000 1.094 384 A CA -0.576 51.620 52.037 0.264 0.000 0.764 384 A CB 1.761 21.030 19.000 0.449 0.000 1.230 384 A HN 0.658 nan 8.150 nan 0.000 0.448 385 V N 2.658 122.644 119.914 0.119 0.000 2.398 385 V HA 0.447 4.579 4.120 0.020 0.000 0.286 385 V C -0.168 175.971 176.094 0.074 0.000 1.026 385 V CA -0.406 61.941 62.300 0.078 0.000 0.868 385 V CB 1.358 33.196 31.823 0.025 0.000 0.982 385 V HN 0.658 nan 8.190 nan 0.000 0.443 386 V N 6.329 126.315 119.914 0.121 0.000 2.581 386 V HA 0.582 4.714 4.120 0.020 0.000 0.303 386 V C -0.617 175.551 176.094 0.123 0.000 1.041 386 V CA -0.603 61.797 62.300 0.166 0.000 0.907 386 V CB 1.852 33.865 31.823 0.317 0.000 0.994 386 V HN 0.632 nan 8.190 nan 0.000 0.442 387 L N 4.014 125.307 121.223 0.118 0.000 2.504 387 L HA 0.724 5.076 4.340 0.020 0.000 0.265 387 L C 0.401 177.351 176.870 0.134 0.000 0.975 387 L CA 0.362 55.254 54.840 0.086 0.000 0.864 387 L CB 1.585 43.652 42.059 0.013 0.000 1.212 387 L HN 0.777 nan 8.230 nan 0.000 0.416 388 G N 0.412 109.322 108.800 0.182 0.000 2.613 388 G HA2 0.397 4.369 3.960 0.020 0.000 0.303 388 G HA3 0.397 4.369 3.960 0.020 0.000 0.303 388 G C 0.491 175.447 174.900 0.093 0.000 1.312 388 G CA -0.161 45.054 45.100 0.193 0.000 1.036 388 G HN 0.508 nan 8.290 nan 0.000 0.513 389 E N -0.018 120.229 120.200 0.077 0.000 2.085 389 E HA -0.141 4.221 4.350 0.020 0.000 0.194 389 E C 2.532 179.153 176.600 0.035 0.000 0.994 389 E CA 2.079 58.506 56.400 0.045 0.000 0.801 389 E CB -0.562 29.161 29.700 0.039 0.000 0.743 389 E HN 0.304 nan 8.360 nan 0.000 0.453 390 S N 0.640 116.362 115.700 0.036 0.000 2.365 390 S HA -0.214 4.268 4.470 0.020 0.000 0.225 390 S C 1.835 176.447 174.600 0.020 0.000 1.039 390 S CA 1.584 59.798 58.200 0.023 0.000 1.033 390 S CB -0.466 62.745 63.200 0.018 0.000 0.887 390 S HN 0.316 nan 8.310 nan 0.000 0.447 391 E N 0.821 121.038 120.200 0.028 0.000 2.110 391 E HA -0.059 4.303 4.350 0.020 0.000 0.193 391 E C 2.137 178.746 176.600 0.014 0.000 0.988 391 E CA 0.687 57.100 56.400 0.021 0.000 0.804 391 E CB -0.535 29.184 29.700 0.033 0.000 0.745 391 E HN 0.319 nan 8.360 nan 0.000 0.458 392 V N 0.941 120.866 119.914 0.018 0.000 2.261 392 V HA -0.280 3.852 4.120 0.020 0.000 0.246 392 V C 2.243 178.341 176.094 0.007 0.000 1.047 392 V CA 1.904 64.210 62.300 0.010 0.000 1.015 392 V CB -0.977 30.853 31.823 0.011 0.000 0.642 392 V HN 0.355 nan 8.190 nan 0.000 0.446 393 A N 0.615 123.441 122.820 0.009 0.000 1.902 393 A HA -0.212 4.120 4.320 0.020 0.000 0.217 393 A C 1.915 179.501 177.584 0.004 0.000 1.181 393 A CA 2.096 54.137 52.037 0.006 0.000 0.623 393 A CB -0.642 18.363 19.000 0.008 0.000 0.818 393 A HN 0.605 nan 8.150 nan 0.000 0.443 394 N N -0.675 118.028 118.700 0.004 0.000 2.461 394 N HA 0.126 4.879 4.740 0.020 0.000 0.188 394 N C 1.121 176.629 175.510 -0.002 0.000 1.134 394 N CA 1.017 54.067 53.050 0.001 0.000 0.878 394 N CB 0.016 38.503 38.487 0.000 0.000 0.972 394 N HN 0.678 nan 8.380 nan 0.000 0.456 395 G N 0.801 109.599 108.800 -0.002 0.000 2.179 395 G HA2 -0.292 3.680 3.960 0.020 0.000 0.257 395 G HA3 -0.292 3.680 3.960 0.020 0.000 0.257 395 G C 0.274 175.167 174.900 -0.010 0.000 1.010 395 G CA 1.033 46.130 45.100 -0.005 0.000 0.736 395 G HN 0.486 nan 8.290 nan 0.000 0.513 396 T N -2.473 112.076 114.554 -0.009 0.000 2.937 396 T HA 0.914 5.276 4.350 0.020 0.000 0.283 396 T C -0.044 174.651 174.700 -0.009 0.000 1.012 396 T CA -0.013 62.078 62.100 -0.015 0.000 0.997 396 T CB 2.579 71.439 68.868 -0.014 0.000 1.136 396 T HN 1.775 nan 8.240 nan 0.000 0.551 397 A N 0.644 123.455 122.820 -0.014 0.000 2.427 397 A HA 0.652 4.984 4.320 0.020 0.000 0.298 397 A C -0.742 176.845 177.584 0.005 0.000 1.036 397 A CA -0.771 51.266 52.037 0.001 0.000 0.701 397 A CB 1.564 20.560 19.000 -0.008 0.000 1.250 397 A HN 0.762 nan 8.150 nan 0.000 0.412 398 V N 2.721 122.658 119.914 0.038 0.000 2.461 398 V HA 0.284 4.416 4.120 0.020 0.000 0.275 398 V C 0.017 176.148 176.094 0.063 0.000 1.047 398 V CA -0.160 62.167 62.300 0.045 0.000 0.955 398 V CB 1.397 33.262 31.823 0.069 0.000 0.988 398 V HN 0.626 nan 8.190 nan 0.000 0.471 399 V N 5.917 125.859 119.914 0.047 0.000 2.383 399 V HA 0.387 4.519 4.120 0.020 0.000 0.275 399 V C 0.069 176.213 176.094 0.083 0.000 1.036 399 V CA -0.697 61.645 62.300 0.069 0.000 0.889 399 V CB 1.555 33.413 31.823 0.059 0.000 0.985 399 V HN 0.858 nan 8.190 nan 0.000 0.459 400 K N 4.204 124.673 120.400 0.114 0.000 2.367 400 K HA 0.301 4.633 4.320 0.020 0.000 0.263 400 K C -0.435 176.218 176.600 0.088 0.000 1.000 400 K CA -0.372 55.973 56.287 0.097 0.000 0.891 400 K CB 1.065 33.652 32.500 0.146 0.000 1.117 400 K HN 0.607 nan 8.250 nan 0.000 0.443 401 D N 5.823 126.256 120.400 0.055 0.000 2.352 401 D HA 0.051 4.703 4.640 0.020 0.000 0.245 401 D C 0.726 177.047 176.300 0.036 0.000 1.224 401 D CA -0.051 53.980 54.000 0.051 0.000 0.879 401 D CB 0.698 41.520 40.800 0.037 0.000 1.057 401 D HN 0.716 nan 8.370 nan 0.000 0.491 402 L N 3.593 124.849 121.223 0.056 0.000 2.201 402 L HA -0.144 4.208 4.340 0.020 0.000 0.212 402 L C 2.268 179.150 176.870 0.020 0.000 1.105 402 L CA 0.734 55.599 54.840 0.042 0.000 0.775 402 L CB -0.151 41.962 42.059 0.090 0.000 0.913 402 L HN 0.247 nan 8.230 nan 0.000 0.440 403 R N 0.100 120.614 120.500 0.024 0.000 2.120 403 R HA -0.105 4.247 4.340 0.020 0.000 0.234 403 R C 2.276 178.578 176.300 0.002 0.000 1.123 403 R CA 1.605 57.713 56.100 0.014 0.000 0.975 403 R CB -0.374 29.935 30.300 0.016 0.000 0.866 403 R HN 0.462 nan 8.270 nan 0.000 0.446 404 S N -2.954 112.746 115.700 -0.000 0.000 2.559 404 S HA 0.317 4.799 4.470 0.020 0.000 0.226 404 S C 1.490 176.078 174.600 -0.021 0.000 1.030 404 S CA 0.060 58.255 58.200 -0.008 0.000 0.956 404 S CB 1.178 64.376 63.200 -0.002 0.000 0.900 404 S HN 0.426 nan 8.310 nan 0.000 0.510 405 G N 1.604 110.386 108.800 -0.029 0.000 2.234 405 G HA2 -0.281 3.691 3.960 0.020 0.000 0.260 405 G HA3 -0.281 3.691 3.960 0.020 0.000 0.260 405 G C -0.210 174.667 174.900 -0.039 0.000 0.987 405 G CA 0.172 45.239 45.100 -0.055 0.000 0.625 405 G HN 0.605 nan 8.290 nan 0.000 0.532 406 E N 1.463 121.654 120.200 -0.016 0.000 2.383 406 E HA 0.351 4.713 4.350 0.020 0.000 0.257 406 E C 0.517 177.121 176.600 0.007 0.000 1.079 406 E CA 0.425 56.822 56.400 -0.004 0.000 0.934 406 E CB 0.105 29.808 29.700 0.006 0.000 0.978 406 E HN 0.742 nan 8.360 nan 0.000 0.462 407 Q N 1.289 121.090 119.800 0.001 0.000 2.340 407 Q HA 0.487 4.839 4.340 0.020 0.000 0.268 407 Q C -0.618 175.392 176.000 0.017 0.000 1.031 407 Q CA -1.010 54.802 55.803 0.016 0.000 0.804 407 Q CB 1.738 30.480 28.738 0.007 0.000 1.286 407 Q HN 0.349 nan 8.270 nan 0.000 0.448 408 T N -1.042 113.528 114.554 0.027 0.000 2.908 408 T HA 0.834 5.196 4.350 0.020 0.000 0.290 408 T C -0.417 174.283 174.700 -0.001 0.000 1.034 408 T CA -0.796 61.314 62.100 0.017 0.000 1.010 408 T CB 1.633 70.523 68.868 0.038 0.000 1.068 408 T HN 0.784 nan 8.240 nan 0.000 0.481 409 A N 2.078 124.890 122.820 -0.014 0.000 2.320 409 A HA 0.675 5.007 4.320 0.020 0.000 0.287 409 A C -0.201 177.341 177.584 -0.069 0.000 1.181 409 A CA -0.597 51.423 52.037 -0.028 0.000 0.831 409 A CB 0.103 19.091 19.000 -0.019 0.000 1.102 409 A HN 0.871 nan 8.150 nan 0.000 0.513 410 V N 1.829 121.679 119.914 -0.105 0.000 2.769 410 V HA 0.647 4.779 4.120 0.020 0.000 0.312 410 V C 0.735 176.753 176.094 -0.127 0.000 1.061 410 V CA -0.529 61.654 62.300 -0.196 0.000 0.931 410 V CB 1.735 33.331 31.823 -0.378 0.000 1.010 410 V HN 1.209 nan 8.190 nan 0.000 0.433 411 A N 2.393 125.146 122.820 -0.112 0.000 2.498 411 A HA 0.209 4.541 4.320 0.020 0.000 0.239 411 A C 1.061 178.609 177.584 -0.061 0.000 1.068 411 A CA 0.070 52.070 52.037 -0.063 0.000 0.766 411 A CB 0.085 19.060 19.000 -0.042 0.000 1.003 411 A HN 0.966 nan 8.150 nan 0.000 0.497 412 Q N 0.928 120.706 119.800 -0.036 0.000 2.197 412 Q HA -0.226 4.126 4.340 0.020 0.000 0.207 412 Q C 0.688 176.678 176.000 -0.018 0.000 0.984 412 Q CA 2.188 57.975 55.803 -0.027 0.000 0.869 412 Q CB -0.151 28.577 28.738 -0.017 0.000 0.906 412 Q HN 0.917 nan 8.270 nan 0.000 0.426 413 D N -0.576 119.816 120.400 -0.013 0.000 2.264 413 D HA -0.079 4.573 4.640 0.020 0.000 0.208 413 D C 1.345 177.650 176.300 0.010 0.000 0.966 413 D CA 1.156 55.156 54.000 -0.001 0.000 0.864 413 D CB 0.161 40.962 40.800 0.002 0.000 0.933 413 D HN 0.087 nan 8.370 nan 0.000 0.499 414 S N -0.580 115.118 115.700 -0.004 0.000 2.511 414 S HA 0.067 4.549 4.470 0.020 0.000 0.214 414 S C 1.944 176.567 174.600 0.039 0.000 0.997 414 S CA -0.295 57.924 58.200 0.032 0.000 0.908 414 S CB 0.461 63.664 63.200 0.006 0.000 0.803 414 S HN 0.051 nan 8.310 nan 0.000 0.504 415 V N 2.561 122.460 119.914 -0.025 0.000 2.392 415 V HA -0.247 3.885 4.120 0.020 0.000 0.249 415 V C 2.797 178.935 176.094 0.074 0.000 1.059 415 V CA 1.953 64.248 62.300 -0.008 0.000 1.051 415 V CB -1.130 30.680 31.823 -0.021 0.000 0.658 415 V HN 0.591 nan 8.190 nan 0.000 0.455 416 A N -0.084 122.772 122.820 0.060 0.000 1.883 416 A HA -0.182 4.150 4.320 0.020 0.000 0.217 416 A C 2.441 180.072 177.584 0.079 0.000 1.186 416 A CA 2.269 54.341 52.037 0.058 0.000 0.624 416 A CB -0.897 18.125 19.000 0.038 0.000 0.822 416 A HN 0.604 nan 8.150 nan 0.000 0.444 417 A N -1.055 121.825 122.820 0.101 0.000 1.933 417 A HA -0.172 4.160 4.320 0.020 0.000 0.218 417 A C 1.943 179.570 177.584 0.071 0.000 1.175 417 A CA 2.019 54.102 52.037 0.078 0.000 0.628 417 A CB -0.873 18.174 19.000 0.077 0.000 0.814 417 A HN 0.665 nan 8.150 nan 0.000 0.444 418 H N -0.309 118.767 119.070 0.011 0.000 2.423 418 H HA 0.035 4.603 4.556 0.020 0.000 0.297 418 H C 1.847 177.184 175.328 0.016 0.000 1.075 418 H CA 1.603 57.659 56.048 0.013 0.000 1.342 418 H CB -0.214 29.557 29.762 0.015 0.000 1.395 418 H HN 0.424 nan 8.280 nan 0.000 0.530 419 L N -0.283 121.018 121.223 0.130 0.000 2.109 419 L HA -0.089 4.263 4.340 0.020 0.000 0.207 419 L C 2.431 179.328 176.870 0.046 0.000 1.086 419 L CA 0.936 55.822 54.840 0.078 0.000 0.760 419 L CB -0.260 41.838 42.059 0.064 0.000 0.910 419 L HN 0.170 nan 8.230 nan 0.000 0.437 420 R N -0.394 120.127 120.500 0.035 0.000 2.096 420 R HA -0.158 4.194 4.340 0.020 0.000 0.240 420 R C 2.306 178.608 176.300 0.004 0.000 1.139 420 R CA 1.998 58.108 56.100 0.016 0.000 0.952 420 R CB -0.882 29.423 30.300 0.009 0.000 0.854 420 R HN 0.325 nan 8.270 nan 0.000 0.436 421 T N 1.692 116.239 114.554 -0.011 0.000 2.684 421 T HA -0.112 4.250 4.350 0.020 0.000 0.267 421 T C 1.897 176.593 174.700 -0.006 0.000 1.036 421 T CA 1.150 63.233 62.100 -0.028 0.000 1.148 421 T CB -0.157 68.665 68.868 -0.077 0.000 0.863 421 T HN 0.144 nan 8.240 nan 0.000 0.436 422 L N -0.014 121.217 121.223 0.013 0.000 2.141 422 L HA 0.015 4.367 4.340 0.020 0.000 0.209 422 L C 2.258 179.141 176.870 0.023 0.000 1.094 422 L CA 0.977 55.831 54.840 0.023 0.000 0.763 422 L CB -0.331 41.754 42.059 0.044 0.000 0.908 422 L HN 0.273 nan 8.230 nan 0.000 0.437 423 L N -1.704 119.533 121.223 0.022 0.000 2.200 423 L HA 0.279 4.631 4.340 0.020 0.000 0.200 423 L C 1.004 177.881 176.870 0.012 0.000 1.072 423 L CA 0.540 55.392 54.840 0.021 0.000 0.787 423 L CB -0.122 41.952 42.059 0.024 0.000 0.957 423 L HN 0.269 nan 8.230 nan 0.000 0.459 424 G N 0.000 108.805 108.800 0.008 0.000 5.446 424 G HA2 0.000 3.972 3.960 0.020 0.000 0.244 424 G HA3 0.000 3.972 3.960 0.020 0.000 0.244 424 G CA 0.000 45.102 45.100 0.003 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925