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 3dhy_1_B DATA FIRST_RESID 11 DATA SEQUENCE LTPDVRNGID FKIADLSLAD FGRKELRIAE HEMPGLMSLR REYAEVQPLK DATA SEQUENCE GARISGSLHM TVQTAVLIET LTALGAEVRW ASCNIFSTQD HAAAAVVVGP DATA SEQUENCE HGTPDEPKGV PVFAWKGETL EEYWWAAEQM LTWPDPDKPA NMILDDGGDA DATA SEQUENCE TMLVLRGMQY EKAGVVPPAE EDDPAEWKVF LNLLRTRFET DKDKWTKIAE DATA SEQUENCE SVKGVTEETT TGVLRLYQFA AAGDLAFPAI NVNDSVTKSK FDNKYGTRHS DATA SEQUENCE LIDGINRGTD ALIGGKKVLI CGYGDVGKGC AEAMKGQGAR VSVTEIDPIN DATA SEQUENCE ALQAMMEGFD VVTVEEAIGD ADIVVTATGN KDIIMLEHIK AMKDHAILGN DATA SEQUENCE IGHFDNEIDM AGLERSGATR VNVKPQVDLW TFGDTGRSII VLSEGRLLNL DATA SEQUENCE GNATGHPSFV MSNSFANQTI AQIELWTKND EYDNEVYRLP KHLDEKVARI DATA SEQUENCE HVEALGGHLT KLTKEQAEYL GVDVEGPYKP DHYRY 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.793 176.870 -0.129 0.000 1.165 11 L CA 0.000 54.592 54.840 -0.414 0.000 0.813 11 L CB 0.000 41.816 42.059 -0.406 0.000 0.961 12 T N 1.308 115.874 114.554 0.021 0.000 3.295 12 T HA 0.446 4.986 4.350 0.318 0.000 0.331 12 T C -2.816 172.066 174.700 0.305 0.000 1.142 12 T CA -0.566 61.684 62.100 0.250 0.000 1.078 12 T CB 2.153 71.079 68.868 0.097 0.000 1.150 12 T HN 0.054 nan 8.240 nan 0.000 0.465 13 P HA 0.192 nan 4.420 nan 0.000 0.267 13 P C -0.476 176.813 177.300 -0.018 0.000 1.200 13 P CA -0.251 63.033 63.100 0.307 0.000 0.772 13 P CB 0.494 32.370 31.700 0.292 0.000 0.855 14 D N 0.709 120.928 120.400 -0.301 0.000 2.304 14 D HA 0.264 5.095 4.640 0.318 0.000 0.247 14 D C -0.333 175.552 176.300 -0.691 0.000 1.089 14 D CA 0.142 53.799 54.000 -0.571 0.000 0.910 14 D CB 1.146 41.382 40.800 -0.941 0.000 1.199 14 D HN -0.017 nan 8.370 nan 0.000 0.426 15 V N 2.364 122.045 119.914 -0.388 0.000 2.656 15 V HA 0.564 4.874 4.120 0.318 0.000 0.307 15 V C -0.118 175.954 176.094 -0.036 0.000 1.051 15 V CA -0.722 61.464 62.300 -0.190 0.000 0.893 15 V CB 2.238 34.017 31.823 -0.074 0.000 0.999 15 V HN 0.474 nan 8.190 nan 0.000 0.426 16 R N 3.349 123.924 120.500 0.125 0.000 2.658 16 R HA 0.359 4.889 4.340 0.318 0.000 0.287 16 R C -0.171 176.215 176.300 0.143 0.000 1.209 16 R CA -0.354 55.848 56.100 0.171 0.000 1.046 16 R CB 0.510 30.990 30.300 0.300 0.000 1.247 16 R HN 0.827 nan 8.270 nan 0.000 0.405 17 N N 2.580 121.329 118.700 0.081 0.000 2.758 17 N HA -0.189 4.742 4.740 0.318 0.000 0.248 17 N C 0.436 175.979 175.510 0.055 0.000 1.076 17 N CA 2.194 55.278 53.050 0.057 0.000 0.696 17 N CB -1.059 37.457 38.487 0.047 0.000 0.979 17 N HN 1.084 nan 8.380 nan 0.000 0.550 18 G N -1.548 107.286 108.800 0.056 0.000 2.195 18 G HA2 -0.264 3.886 3.960 0.318 0.000 0.246 18 G HA3 -0.264 3.886 3.960 0.318 0.000 0.246 18 G C 0.121 175.056 174.900 0.060 0.000 0.984 18 G CA 0.318 45.448 45.100 0.049 0.000 0.633 18 G HN 0.576 nan 8.290 nan 0.000 0.525 19 I N 2.760 123.389 120.570 0.098 0.000 2.355 19 I HA 0.330 4.691 4.170 0.318 0.000 0.288 19 I C -0.561 175.684 176.117 0.213 0.000 0.999 19 I CA -1.038 60.343 61.300 0.136 0.000 1.163 19 I CB 1.386 39.461 38.000 0.125 0.000 1.316 19 I HN 0.201 nan 8.210 nan 0.000 0.454 20 D N 7.345 127.812 120.400 0.111 0.000 2.255 20 D HA 0.560 5.391 4.640 0.318 0.000 0.249 20 D C -0.528 175.751 176.300 -0.035 0.000 1.078 20 D CA -0.081 53.933 54.000 0.023 0.000 0.896 20 D CB 1.622 42.473 40.800 0.085 0.000 1.194 20 D HN 0.416 nan 8.370 nan 0.000 0.429 21 F N -1.750 118.017 119.950 -0.304 0.000 2.877 21 F HA 0.707 5.424 4.527 0.317 0.000 0.319 21 F C -1.548 174.042 175.800 -0.349 0.000 1.174 21 F CA -1.367 56.196 58.000 -0.729 0.000 0.903 21 F CB 1.482 40.232 39.000 -0.416 0.000 1.357 21 F HN 0.318 nan 8.300 nan 0.000 0.472 22 K N 1.962 122.361 120.400 -0.001 0.000 2.664 22 K HA 0.568 5.079 4.320 0.318 0.000 0.298 22 K C -1.908 174.946 176.600 0.423 0.000 1.152 22 K CA -0.183 56.267 56.287 0.272 0.000 1.038 22 K CB 0.808 33.654 32.500 0.575 0.000 1.342 22 K HN 0.898 nan 8.250 nan 0.000 0.496 23 I N -0.357 120.403 120.570 0.316 0.000 3.445 23 I HA 0.792 5.153 4.170 0.318 0.000 0.303 23 I C 0.779 176.960 176.117 0.107 0.000 1.129 23 I CA -1.081 60.406 61.300 0.313 0.000 0.989 23 I CB 1.639 39.765 38.000 0.210 0.000 1.314 23 I HN 0.375 nan 8.210 nan 0.000 0.488 24 A N 0.166 123.071 122.820 0.142 0.000 1.855 24 A HA 0.043 4.553 4.320 0.318 0.000 0.213 24 A C 0.437 178.039 177.584 0.030 0.000 1.195 24 A CA 1.938 53.995 52.037 0.035 0.000 0.610 24 A CB -0.384 18.691 19.000 0.126 0.000 0.837 24 A HN 0.858 nan 8.150 nan 0.000 0.444 25 D N -2.231 118.210 120.400 0.068 0.000 2.591 25 D HA 0.357 5.188 4.640 0.318 0.000 0.222 25 D C 0.287 176.616 176.300 0.049 0.000 1.360 25 D CA -0.413 53.621 54.000 0.056 0.000 0.967 25 D CB 0.488 41.322 40.800 0.057 0.000 1.456 25 D HN 0.006 nan 8.370 nan 0.000 0.588 26 L N 2.097 123.338 121.223 0.031 0.000 2.191 26 L HA -0.097 4.433 4.340 0.318 0.000 0.212 26 L C 2.249 179.121 176.870 0.004 0.000 1.103 26 L CA 1.499 56.329 54.840 -0.017 0.000 0.769 26 L CB -0.278 41.760 42.059 -0.035 0.000 0.908 26 L HN 0.487 nan 8.230 nan 0.000 0.438 27 S N -0.542 115.176 115.700 0.029 0.000 2.595 27 S HA -0.049 4.612 4.470 0.318 0.000 0.235 27 S C 1.558 176.198 174.600 0.068 0.000 0.974 27 S CA 0.518 58.742 58.200 0.039 0.000 0.942 27 S CB -0.453 62.768 63.200 0.036 0.000 0.766 27 S HN 0.466 nan 8.310 nan 0.000 0.536 28 L N 0.366 121.643 121.223 0.089 0.000 2.591 28 L HA 0.325 4.855 4.340 0.318 0.000 0.228 28 L C 2.713 179.670 176.870 0.146 0.000 1.133 28 L CA 0.429 55.367 54.840 0.163 0.000 0.880 28 L CB -0.539 41.642 42.059 0.203 0.000 1.033 28 L HN 0.414 nan 8.230 nan 0.000 0.450 29 A N 0.398 123.257 122.820 0.065 0.000 1.978 29 A HA -0.272 4.239 4.320 0.318 0.000 0.220 29 A C 1.978 179.589 177.584 0.045 0.000 1.170 29 A CA 2.181 54.229 52.037 0.018 0.000 0.636 29 A CB -0.355 18.630 19.000 -0.025 0.000 0.810 29 A HN 0.396 nan 8.150 nan 0.000 0.448 30 D N -1.643 118.809 120.400 0.087 0.000 2.137 30 D HA -0.098 4.732 4.640 0.318 0.000 0.202 30 D C 1.599 178.003 176.300 0.173 0.000 0.970 30 D CA 0.986 55.045 54.000 0.097 0.000 0.837 30 D CB -0.252 40.597 40.800 0.083 0.000 0.981 30 D HN 0.292 nan 8.370 nan 0.000 0.475 31 F N 1.221 121.194 119.950 0.038 0.000 2.075 31 F HA 0.026 4.744 4.527 0.319 0.000 0.297 31 F C 2.162 178.032 175.800 0.118 0.000 1.113 31 F CA 2.041 60.071 58.000 0.050 0.000 1.218 31 F CB -0.946 38.066 39.000 0.020 0.000 0.984 31 F HN 0.006 nan 8.300 nan 0.000 0.472 32 G N 0.259 109.051 108.800 -0.013 0.000 2.553 32 G HA2 -0.406 3.744 3.960 0.318 0.000 0.218 32 G HA3 -0.406 3.744 3.960 0.318 0.000 0.218 32 G C 1.807 176.668 174.900 -0.065 0.000 1.195 32 G CA 1.216 46.254 45.100 -0.103 0.000 0.779 32 G HN 0.353 nan 8.290 nan 0.000 0.577 33 R N 1.030 121.518 120.500 -0.020 0.000 2.117 33 R HA -0.056 4.474 4.340 0.318 0.000 0.243 33 R C 2.501 178.810 176.300 0.014 0.000 1.143 33 R CA 1.908 57.997 56.100 -0.017 0.000 0.968 33 R CB -0.459 29.836 30.300 -0.009 0.000 0.863 33 R HN 0.449 nan 8.270 nan 0.000 0.444 34 K N 0.006 120.440 120.400 0.057 0.000 2.057 34 K HA -0.134 4.377 4.320 0.318 0.000 0.207 34 K C 2.018 178.658 176.600 0.067 0.000 1.049 34 K CA 1.805 58.142 56.287 0.082 0.000 0.931 34 K CB -0.112 32.474 32.500 0.144 0.000 0.714 34 K HN 0.363 nan 8.250 nan 0.000 0.440 35 E N 0.630 120.850 120.200 0.033 0.000 2.112 35 E HA -0.128 4.413 4.350 0.318 0.000 0.190 35 E C 2.046 178.653 176.600 0.011 0.000 0.979 35 E CA 0.605 57.018 56.400 0.021 0.000 0.814 35 E CB -0.035 29.649 29.700 -0.026 0.000 0.762 35 E HN 0.095 nan 8.360 nan 0.000 0.460 36 L N 1.197 122.405 121.223 -0.025 0.000 1.989 36 L HA -0.214 4.317 4.340 0.318 0.000 0.211 36 L C 2.444 179.323 176.870 0.015 0.000 1.071 36 L CA 1.693 56.514 54.840 -0.031 0.000 0.749 36 L CB -0.491 41.525 42.059 -0.072 0.000 0.890 36 L HN 0.009 nan 8.230 nan 0.000 0.431 37 R N -0.549 119.973 120.500 0.037 0.000 2.117 37 R HA -0.180 4.350 4.340 0.318 0.000 0.243 37 R C 2.270 178.693 176.300 0.204 0.000 1.143 37 R CA 1.718 57.875 56.100 0.095 0.000 0.968 37 R CB -0.603 29.754 30.300 0.095 0.000 0.863 37 R HN 0.392 nan 8.270 nan 0.000 0.444 38 I N 0.101 120.760 120.570 0.149 0.000 2.286 38 I HA -0.204 4.157 4.170 0.318 0.000 0.245 38 I C 2.590 178.806 176.117 0.166 0.000 1.104 38 I CA 0.985 62.379 61.300 0.157 0.000 1.397 38 I CB -0.405 37.647 38.000 0.086 0.000 1.072 38 I HN 0.157 nan 8.210 nan 0.000 0.417 39 A N 0.612 123.498 122.820 0.110 0.000 1.933 39 A HA -0.241 4.270 4.320 0.318 0.000 0.218 39 A C 2.166 179.807 177.584 0.095 0.000 1.175 39 A CA 1.693 53.787 52.037 0.096 0.000 0.628 39 A CB -0.606 18.430 19.000 0.060 0.000 0.814 39 A HN 0.422 nan 8.150 nan 0.000 0.444 40 E N -0.962 119.276 120.200 0.064 0.000 2.086 40 E HA -0.273 4.268 4.350 0.318 0.000 0.200 40 E C 1.744 178.319 176.600 -0.040 0.000 1.012 40 E CA 1.829 58.219 56.400 -0.017 0.000 0.812 40 E CB -0.308 29.338 29.700 -0.090 0.000 0.743 40 E HN 0.844 nan 8.360 nan 0.000 0.453 41 H N -0.376 118.725 119.070 0.051 0.000 2.546 41 H HA 0.021 4.769 4.556 0.319 0.000 0.277 41 H C 1.381 176.774 175.328 0.108 0.000 1.004 41 H CA 0.733 56.819 56.048 0.064 0.000 1.231 41 H CB 0.332 30.126 29.762 0.053 0.000 1.382 41 H HN 0.036 nan 8.280 nan 0.000 0.580 42 E N -0.223 120.110 120.200 0.222 0.000 2.489 42 E HA 0.130 4.671 4.350 0.318 0.000 0.204 42 E C -0.028 176.722 176.600 0.249 0.000 1.006 42 E CA 0.210 56.781 56.400 0.285 0.000 0.936 42 E CB 0.523 30.367 29.700 0.239 0.000 1.002 42 E HN 0.503 nan 8.360 nan 0.000 0.488 43 M N 2.000 121.668 119.600 0.113 0.000 3.157 43 M HA 0.193 4.863 4.480 0.318 0.000 0.213 43 M C -1.848 174.440 176.300 -0.021 0.000 1.177 43 M CA -1.474 53.844 55.300 0.030 0.000 1.109 43 M CB 1.071 33.701 32.600 0.050 0.000 1.262 43 M HN -0.234 nan 8.290 nan 0.000 0.570 44 P HA -0.119 nan 4.420 nan 0.000 0.221 44 P C 1.417 178.590 177.300 -0.211 0.000 1.145 44 P CA 1.403 64.420 63.100 -0.138 0.000 0.795 44 P CB 0.085 31.694 31.700 -0.152 0.000 0.775 45 G N 0.850 109.525 108.800 -0.207 0.000 2.446 45 G HA2 -0.211 3.940 3.960 0.318 0.000 0.217 45 G HA3 -0.211 3.940 3.960 0.318 0.000 0.217 45 G C 1.631 176.524 174.900 -0.012 0.000 1.168 45 G CA 0.654 45.694 45.100 -0.099 0.000 0.771 45 G HN 0.253 nan 8.290 nan 0.000 0.551 46 L N -0.126 121.108 121.223 0.018 0.000 2.095 46 L HA 0.036 4.566 4.340 0.318 0.000 0.204 46 L C 3.019 179.888 176.870 -0.002 0.000 1.080 46 L CA 0.445 55.300 54.840 0.025 0.000 0.759 46 L CB -0.380 41.700 42.059 0.036 0.000 0.914 46 L HN 0.091 nan 8.230 nan 0.000 0.439 47 M N -0.364 119.219 119.600 -0.028 0.000 2.117 47 M HA -0.152 4.518 4.480 0.318 0.000 0.262 47 M C 2.609 178.891 176.300 -0.031 0.000 1.065 47 M CA 1.639 56.915 55.300 -0.040 0.000 1.114 47 M CB -1.433 31.126 32.600 -0.067 0.000 1.361 47 M HN 0.263 nan 8.290 nan 0.000 0.408 48 S N 0.525 116.201 115.700 -0.041 0.000 2.383 48 S HA -0.034 4.626 4.470 0.318 0.000 0.227 48 S C 2.011 176.614 174.600 0.004 0.000 1.026 48 S CA 0.747 58.926 58.200 -0.035 0.000 0.981 48 S CB -0.115 63.046 63.200 -0.066 0.000 0.818 48 S HN 0.469 nan 8.310 nan 0.000 0.472 49 L N 0.599 121.848 121.223 0.042 0.000 2.083 49 L HA -0.051 4.479 4.340 0.318 0.000 0.209 49 L C 2.942 179.898 176.870 0.144 0.000 1.083 49 L CA 1.225 56.148 54.840 0.138 0.000 0.752 49 L CB -0.474 41.672 42.059 0.144 0.000 0.899 49 L HN 0.304 nan 8.230 nan 0.000 0.433 50 R N -0.042 120.497 120.500 0.065 0.000 2.073 50 R HA -0.148 4.383 4.340 0.318 0.000 0.234 50 R C 2.452 178.778 176.300 0.044 0.000 1.134 50 R CA 1.474 57.604 56.100 0.049 0.000 0.952 50 R CB -0.243 30.061 30.300 0.007 0.000 0.850 50 R HN 0.346 nan 8.270 nan 0.000 0.433 51 R N 0.136 120.644 120.500 0.012 0.000 2.092 51 R HA -0.125 4.406 4.340 0.318 0.000 0.231 51 R C 2.229 178.510 176.300 -0.031 0.000 1.119 51 R CA 1.294 57.389 56.100 -0.009 0.000 0.970 51 R CB -0.172 30.114 30.300 -0.022 0.000 0.864 51 R HN 0.347 nan 8.270 nan 0.000 0.440 52 E N 0.200 120.363 120.200 -0.062 0.000 2.047 52 E HA -0.173 4.367 4.350 0.318 0.000 0.191 52 E C 0.690 177.133 176.600 -0.261 0.000 0.987 52 E CA 1.154 57.433 56.400 -0.201 0.000 0.799 52 E CB 0.090 29.604 29.700 -0.309 0.000 0.752 52 E HN 0.337 nan 8.360 nan 0.000 0.449 53 Y N -0.484 119.820 120.300 0.007 0.000 2.493 53 Y HA 0.327 5.071 4.550 0.325 0.000 0.275 53 Y C 1.540 177.447 175.900 0.011 0.000 1.183 53 Y CA 0.181 58.289 58.100 0.014 0.000 1.258 53 Y CB 0.144 38.615 38.460 0.018 0.000 1.108 53 Y HN 0.153 nan 8.280 nan 0.000 0.521 54 A N 0.305 123.183 122.820 0.096 0.000 1.865 54 A HA -0.209 4.301 4.320 0.318 0.000 0.217 54 A C 2.135 179.754 177.584 0.058 0.000 1.191 54 A CA 1.998 54.073 52.037 0.064 0.000 0.623 54 A CB -0.319 18.699 19.000 0.031 0.000 0.826 54 A HN 0.456 nan 8.150 nan 0.000 0.444 55 E N -0.596 119.629 120.200 0.043 0.000 2.046 55 E HA -0.089 4.451 4.350 0.318 0.000 0.190 55 E C 2.084 178.721 176.600 0.060 0.000 0.982 55 E CA 1.108 57.531 56.400 0.039 0.000 0.800 55 E CB -0.296 29.416 29.700 0.019 0.000 0.756 55 E HN 0.350 nan 8.360 nan 0.000 0.449 56 V N 0.912 120.878 119.914 0.086 0.000 2.332 56 V HA -0.236 4.075 4.120 0.318 0.000 0.248 56 V C 0.639 176.806 176.094 0.122 0.000 1.055 56 V CA 1.315 63.687 62.300 0.120 0.000 1.038 56 V CB -0.363 31.576 31.823 0.195 0.000 0.651 56 V HN 0.405 nan 8.190 nan 0.000 0.450 57 Q N -2.111 117.765 119.800 0.128 0.000 2.464 57 Q HA -0.188 4.342 4.340 0.318 0.000 0.304 57 Q C -1.431 174.627 176.000 0.098 0.000 1.401 57 Q CA 1.030 56.890 55.803 0.094 0.000 0.806 57 Q CB -1.834 26.946 28.738 0.070 0.000 1.134 57 Q HN 0.531 nan 8.270 nan 0.000 0.411 58 P HA -0.130 nan 4.420 nan 0.000 0.222 58 P C 1.156 178.546 177.300 0.150 0.000 1.147 58 P CA 0.976 64.142 63.100 0.110 0.000 0.790 58 P CB 0.149 31.845 31.700 -0.006 0.000 0.780 59 L N -1.113 120.116 121.223 0.011 0.000 2.667 59 L HA 0.191 4.722 4.340 0.318 0.000 0.232 59 L C 1.317 178.049 176.870 -0.230 0.000 1.138 59 L CA -0.408 54.318 54.840 -0.191 0.000 0.921 59 L CB -0.316 41.580 42.059 -0.273 0.000 1.180 59 L HN -0.108 nan 8.230 nan 0.000 0.487 60 K N 1.107 121.513 120.400 0.010 0.000 2.524 60 K HA 0.048 4.558 4.320 0.318 0.000 0.279 60 K C 1.225 177.904 176.600 0.132 0.000 0.993 60 K CA 1.150 57.466 56.287 0.048 0.000 1.030 60 K CB 0.318 32.874 32.500 0.094 0.000 0.891 60 K HN 0.248 nan 8.250 nan 0.000 0.488 61 G N 1.968 110.794 108.800 0.043 0.000 2.284 61 G HA2 -0.316 3.835 3.960 0.318 0.000 0.247 61 G HA3 -0.316 3.835 3.960 0.318 0.000 0.247 61 G C 0.137 174.917 174.900 -0.199 0.000 1.012 61 G CA 0.178 45.347 45.100 0.115 0.000 0.618 61 G HN 0.980 nan 8.290 nan 0.000 0.521 62 A N 0.361 122.730 122.820 -0.750 0.000 2.388 62 A HA 0.725 5.236 4.320 0.318 0.000 0.257 62 A C 0.659 177.843 177.584 -0.667 0.000 1.095 62 A CA 0.217 51.452 52.037 -1.337 0.000 0.791 62 A CB 0.290 18.334 19.000 -1.594 0.000 1.029 62 A HN 0.482 nan 8.150 nan 0.000 0.489 63 R N 2.353 122.446 120.500 -0.679 0.000 2.415 63 R HA 0.330 4.860 4.340 0.318 0.000 0.292 63 R C -1.430 174.595 176.300 -0.458 0.000 1.295 63 R CA -0.129 55.506 56.100 -0.775 0.000 1.137 63 R CB 0.927 30.356 30.300 -1.451 0.000 1.135 63 R HN 0.708 nan 8.270 nan 0.000 0.560 64 I N 1.554 122.114 120.570 -0.017 0.000 2.312 64 I HA 0.132 4.492 4.170 0.318 0.000 0.291 64 I C 0.304 176.589 176.117 0.281 0.000 1.031 64 I CA -0.027 61.310 61.300 0.062 0.000 1.293 64 I CB 1.638 39.651 38.000 0.022 0.000 1.403 64 I HN 0.280 nan 8.210 nan 0.000 0.484 65 S N 4.629 120.428 115.700 0.165 0.000 2.430 65 S HA 0.522 5.182 4.470 0.318 0.000 0.289 65 S C 0.342 174.784 174.600 -0.263 0.000 1.143 65 S CA -0.617 57.630 58.200 0.078 0.000 1.067 65 S CB 1.034 64.326 63.200 0.154 0.000 0.964 65 S HN 0.799 nan 8.310 nan 0.000 0.485 66 G N 1.176 109.580 108.800 -0.660 0.000 2.416 66 G HA2 0.542 4.693 3.960 0.318 0.000 0.329 66 G HA3 0.542 4.693 3.960 0.318 0.000 0.329 66 G C -0.791 173.255 174.900 -1.422 0.000 1.173 66 G CA -0.554 43.647 45.100 -1.499 0.000 0.929 66 G HN 0.562 nan 8.290 nan 0.000 0.475 67 S N 1.632 116.787 115.700 -0.909 0.000 2.524 67 S HA 0.611 5.271 4.470 0.318 0.000 0.227 67 S C -0.998 173.418 174.600 -0.307 0.000 1.304 67 S CA -0.566 57.318 58.200 -0.527 0.000 1.185 67 S CB -0.160 62.857 63.200 -0.304 0.000 1.104 67 S HN 0.628 nan 8.310 nan 0.000 0.475 68 L N 4.270 125.404 121.223 -0.149 0.000 2.505 68 L HA 0.523 5.053 4.340 0.318 0.000 0.259 68 L C -0.584 176.387 176.870 0.169 0.000 0.952 68 L CA -0.773 54.083 54.840 0.026 0.000 0.840 68 L CB 1.537 43.754 42.059 0.263 0.000 1.358 68 L HN 0.631 nan 8.230 nan 0.000 0.409 69 H N 3.868 123.066 119.070 0.213 0.000 3.209 69 H HA -0.110 4.637 4.556 0.319 0.000 0.297 69 H C 0.117 175.559 175.328 0.191 0.000 0.936 69 H CA 0.367 56.517 56.048 0.169 0.000 1.392 69 H CB 0.398 30.231 29.762 0.118 0.000 1.349 69 H HN 0.442 nan 8.280 nan 0.000 0.568 70 M N 4.334 124.090 119.600 0.259 0.000 3.422 70 M HA 0.063 4.733 4.480 0.318 0.000 0.248 70 M C -0.101 176.228 176.300 0.049 0.000 1.433 70 M CA -0.258 55.128 55.300 0.143 0.000 1.592 70 M CB -0.755 31.935 32.600 0.149 0.000 1.078 70 M HN 0.662 nan 8.290 nan 0.000 0.578 71 T N -1.813 112.765 114.554 0.040 0.000 2.919 71 T HA 0.490 5.030 4.350 0.318 0.000 0.282 71 T C 1.028 175.680 174.700 -0.079 0.000 1.020 71 T CA -0.914 61.184 62.100 -0.003 0.000 0.994 71 T CB 0.853 69.764 68.868 0.072 0.000 1.180 71 T HN 0.060 nan 8.240 nan 0.000 0.566 72 V N 1.255 121.105 119.914 -0.106 0.000 2.392 72 V HA -0.180 4.130 4.120 0.318 0.000 0.249 72 V C 2.878 178.951 176.094 -0.034 0.000 1.059 72 V CA 2.048 64.278 62.300 -0.116 0.000 1.051 72 V CB -1.094 30.679 31.823 -0.085 0.000 0.658 72 V HN 0.807 nan 8.190 nan 0.000 0.455 73 Q N -0.323 119.519 119.800 0.071 0.000 2.046 73 Q HA -0.140 4.391 4.340 0.318 0.000 0.200 73 Q C 2.355 178.503 176.000 0.246 0.000 0.975 73 Q CA 2.207 58.142 55.803 0.221 0.000 0.836 73 Q CB -0.845 28.074 28.738 0.302 0.000 0.896 73 Q HN 0.602 nan 8.270 nan 0.000 0.428 74 T N 0.605 115.227 114.554 0.113 0.000 2.788 74 T HA -0.154 4.386 4.350 0.318 0.000 0.268 74 T C 1.824 176.255 174.700 -0.448 0.000 1.044 74 T CA 1.214 63.125 62.100 -0.314 0.000 1.139 74 T CB -0.423 68.340 68.868 -0.176 0.000 0.867 74 T HN 0.417 nan 8.240 nan 0.000 0.454 75 A N 0.815 123.452 122.820 -0.304 0.000 2.019 75 A HA -0.026 4.485 4.320 0.318 0.000 0.219 75 A C 2.479 179.895 177.584 -0.279 0.000 1.164 75 A CA 1.146 52.986 52.037 -0.329 0.000 0.644 75 A CB -0.719 18.131 19.000 -0.251 0.000 0.805 75 A HN 0.401 nan 8.150 nan 0.000 0.449 76 V N -0.469 119.328 119.914 -0.196 0.000 2.719 76 V HA -0.132 4.178 4.120 0.318 0.000 0.252 76 V C 2.375 178.355 176.094 -0.189 0.000 1.065 76 V CA 1.511 63.726 62.300 -0.142 0.000 1.086 76 V CB -0.525 31.271 31.823 -0.044 0.000 0.700 76 V HN 0.625 nan 8.190 nan 0.000 0.467 77 L N 0.331 121.366 121.223 -0.312 0.000 2.027 77 L HA -0.059 4.472 4.340 0.318 0.000 0.206 77 L C 2.200 178.837 176.870 -0.388 0.000 1.074 77 L CA 1.857 56.458 54.840 -0.398 0.000 0.745 77 L CB -0.506 41.051 42.059 -0.838 0.000 0.898 77 L HN 0.186 nan 8.230 nan 0.000 0.433 78 I N -0.058 120.180 120.570 -0.552 0.000 2.248 78 I HA -0.316 4.045 4.170 0.318 0.000 0.248 78 I C 2.130 178.065 176.117 -0.303 0.000 1.107 78 I CA 1.788 62.759 61.300 -0.548 0.000 1.373 78 I CB -0.392 37.150 38.000 -0.763 0.000 1.055 78 I HN 0.437 nan 8.210 nan 0.000 0.418 79 E N -0.336 119.711 120.200 -0.255 0.000 2.442 79 E HA -0.058 4.482 4.350 0.318 0.000 0.195 79 E C 1.908 178.432 176.600 -0.127 0.000 1.030 79 E CA 0.733 57.028 56.400 -0.174 0.000 0.869 79 E CB 0.110 29.709 29.700 -0.168 0.000 0.857 79 E HN 0.479 nan 8.360 nan 0.000 0.505 80 T N 1.517 115.994 114.554 -0.130 0.000 2.770 80 T HA -0.067 4.474 4.350 0.318 0.000 0.263 80 T C 1.989 176.642 174.700 -0.078 0.000 1.039 80 T CA 0.680 62.730 62.100 -0.084 0.000 1.142 80 T CB -0.094 68.731 68.868 -0.071 0.000 0.868 80 T HN 0.096 nan 8.240 nan 0.000 0.435 81 L N 1.487 122.649 121.223 -0.103 0.000 2.046 81 L HA -0.107 4.423 4.340 0.318 0.000 0.208 81 L C 3.095 179.921 176.870 -0.074 0.000 1.077 81 L CA 1.683 56.471 54.840 -0.085 0.000 0.747 81 L CB -1.338 40.681 42.059 -0.066 0.000 0.896 81 L HN 0.439 nan 8.230 nan 0.000 0.432 82 T N -2.734 111.776 114.554 -0.073 0.000 2.995 82 T HA -0.016 4.524 4.350 0.318 0.000 0.269 82 T C 1.878 176.555 174.700 -0.040 0.000 1.091 82 T CA 0.749 62.817 62.100 -0.053 0.000 1.128 82 T CB -0.219 68.615 68.868 -0.057 0.000 0.891 82 T HN 0.293 nan 8.240 nan 0.000 0.492 83 A N 1.426 124.221 122.820 -0.042 0.000 2.067 83 A HA 0.312 4.822 4.320 0.318 0.000 0.219 83 A C 2.108 179.693 177.584 0.001 0.000 1.158 83 A CA 0.782 52.808 52.037 -0.018 0.000 0.661 83 A CB -0.581 18.408 19.000 -0.019 0.000 0.801 83 A HN 0.607 nan 8.150 nan 0.000 0.452 84 L N -1.999 119.217 121.223 -0.012 0.000 2.769 84 L HA 0.351 4.882 4.340 0.318 0.000 0.240 84 L C 1.454 178.312 176.870 -0.020 0.000 1.163 84 L CA 0.479 55.318 54.840 -0.002 0.000 0.962 84 L CB 0.098 42.138 42.059 -0.032 0.000 1.258 84 L HN 0.518 nan 8.230 nan 0.000 0.513 85 G N 0.036 108.821 108.800 -0.026 0.000 2.316 85 G HA2 -0.201 3.949 3.960 0.318 0.000 0.203 85 G HA3 -0.201 3.949 3.960 0.318 0.000 0.203 85 G C 0.445 175.308 174.900 -0.062 0.000 0.999 85 G CA -0.155 44.929 45.100 -0.027 0.000 0.649 85 G HN 0.410 nan 8.290 nan 0.000 0.489 86 A N 0.405 123.165 122.820 -0.099 0.000 2.366 86 A HA 0.648 5.158 4.320 0.318 0.000 0.249 86 A C 0.271 177.835 177.584 -0.033 0.000 1.084 86 A CA 0.346 52.304 52.037 -0.131 0.000 0.794 86 A CB 0.294 19.197 19.000 -0.160 0.000 1.034 86 A HN 0.464 nan 8.150 nan 0.000 0.491 87 E N -0.535 119.676 120.200 0.019 0.000 2.231 87 E HA 0.481 5.022 4.350 0.318 0.000 0.277 87 E C -0.507 176.281 176.600 0.314 0.000 0.999 87 E CA -0.631 55.875 56.400 0.176 0.000 0.827 87 E CB 1.878 31.757 29.700 0.298 0.000 1.101 87 E HN 0.637 nan 8.360 nan 0.000 0.393 88 V N 0.534 120.606 119.914 0.263 0.000 3.040 88 V HA 0.691 5.001 4.120 0.318 0.000 0.312 88 V C -1.070 175.075 176.094 0.085 0.000 1.115 88 V CA -0.836 61.647 62.300 0.305 0.000 0.998 88 V CB 2.059 34.070 31.823 0.314 0.000 1.042 88 V HN 0.635 nan 8.190 nan 0.000 0.433 89 R N 2.806 123.343 120.500 0.062 0.000 2.807 89 R HA 0.615 5.145 4.340 0.318 0.000 0.276 89 R C -1.687 174.740 176.300 0.211 0.000 0.979 89 R CA -0.518 55.559 56.100 -0.038 0.000 0.928 89 R CB 2.354 32.407 30.300 -0.412 0.000 1.191 89 R HN 0.859 nan 8.270 nan 0.000 0.471 90 W N 0.692 122.007 121.300 0.025 0.000 3.127 90 W HA 0.686 5.534 4.660 0.314 0.000 0.330 90 W C -1.591 174.988 176.519 0.100 0.000 1.187 90 W CA -0.370 56.992 57.345 0.028 0.000 1.198 90 W CB 2.379 31.829 29.460 -0.017 0.000 1.408 90 W HN 0.687 nan 8.180 nan 0.000 0.529 91 A N 2.002 124.802 122.820 -0.033 0.000 2.566 91 A HA 0.626 5.136 4.320 0.318 0.000 0.292 91 A C -0.942 176.652 177.584 0.017 0.000 1.112 91 A CA -0.419 51.647 52.037 0.048 0.000 0.707 91 A CB 1.870 20.802 19.000 -0.114 0.000 1.302 91 A HN 0.403 nan 8.150 nan 0.000 0.409 92 S N -1.331 114.412 115.700 0.071 0.000 2.655 92 S HA 0.355 5.016 4.470 0.318 0.000 0.265 92 S C 0.926 175.565 174.600 0.066 0.000 1.240 92 S CA 0.109 58.370 58.200 0.101 0.000 0.986 92 S CB 0.515 63.800 63.200 0.140 0.000 0.985 92 S HN 1.690 nan 8.310 nan 0.000 0.562 93 C N 1.023 120.350 119.300 0.045 0.000 3.243 93 C HA 0.587 5.238 4.460 0.318 0.000 0.286 93 C C 0.154 175.154 174.990 0.017 0.000 1.373 93 C CA -0.831 58.227 59.018 0.067 0.000 1.749 93 C CB -2.085 25.576 27.740 -0.132 0.000 2.313 93 C HN 0.710 nan 8.230 nan 0.000 0.644 94 N N 0.456 119.162 118.700 0.009 0.000 2.277 94 N HA 0.537 5.467 4.740 0.318 0.000 0.286 94 N C 0.690 176.060 175.510 -0.234 0.000 1.140 94 N CA -0.764 52.187 53.050 -0.164 0.000 0.799 94 N CB 1.292 39.815 38.487 0.060 0.000 1.596 94 N HN 0.275 nan 8.380 nan 0.000 0.473 95 I N -1.109 119.156 120.570 -0.509 0.000 2.756 95 I HA 0.062 4.423 4.170 0.318 0.000 0.262 95 I C 0.034 175.992 176.117 -0.267 0.000 1.225 95 I CA 1.177 62.184 61.300 -0.489 0.000 1.472 95 I CB -0.282 37.292 38.000 -0.709 0.000 1.094 95 I HN 0.276 nan 8.210 nan 0.000 0.454 96 F N 1.133 121.073 119.950 -0.016 0.000 2.706 96 F HA 0.201 4.919 4.527 0.318 0.000 0.308 96 F C 2.418 178.241 175.800 0.038 0.000 1.095 96 F CA -0.110 57.902 58.000 0.020 0.000 1.244 96 F CB -0.440 38.570 39.000 0.017 0.000 1.063 96 F HN 0.114 nan 8.300 nan 0.000 0.582 97 S N -1.811 114.010 115.700 0.202 0.000 2.528 97 S HA 0.039 4.700 4.470 0.318 0.000 0.219 97 S C 0.884 175.572 174.600 0.147 0.000 0.985 97 S CA -0.013 58.274 58.200 0.145 0.000 0.914 97 S CB -0.943 62.337 63.200 0.134 0.000 0.776 97 S HN 0.076 nan 8.310 nan 0.000 0.526 98 T N 3.486 118.135 114.554 0.158 0.000 2.867 98 T HA 0.115 4.655 4.350 0.318 0.000 0.297 98 T C -0.245 174.533 174.700 0.130 0.000 0.989 98 T CA 0.343 62.529 62.100 0.143 0.000 1.159 98 T CB 0.419 69.379 68.868 0.153 0.000 0.928 98 T HN 0.430 nan 8.240 nan 0.000 0.538 99 Q N 2.654 122.496 119.800 0.070 0.000 2.390 99 Q HA 0.146 4.677 4.340 0.318 0.000 0.249 99 Q C 0.439 176.436 176.000 -0.005 0.000 0.996 99 Q CA -0.646 55.183 55.803 0.043 0.000 0.899 99 Q CB 1.018 29.709 28.738 -0.079 0.000 1.216 99 Q HN 0.525 nan 8.270 nan 0.000 0.465 100 D N 1.240 121.734 120.400 0.156 0.000 2.149 100 D HA -0.201 4.629 4.640 0.318 0.000 0.198 100 D C 1.706 178.072 176.300 0.111 0.000 0.990 100 D CA 1.329 55.427 54.000 0.164 0.000 0.839 100 D CB 0.152 41.083 40.800 0.218 0.000 0.948 100 D HN 0.670 nan 8.370 nan 0.000 0.460 101 H N 0.020 119.092 119.070 0.003 0.000 2.428 101 H HA 0.183 4.930 4.556 0.318 0.000 0.296 101 H C 1.833 177.084 175.328 -0.128 0.000 1.062 101 H CA 1.273 57.277 56.048 -0.073 0.000 1.350 101 H CB -0.478 29.144 29.762 -0.233 0.000 1.403 101 H HN 0.053 nan 8.280 nan 0.000 0.533 102 A N 2.014 124.457 122.820 -0.629 0.000 1.873 102 A HA 0.059 4.570 4.320 0.318 0.000 0.215 102 A C 2.822 180.269 177.584 -0.229 0.000 1.186 102 A CA 1.928 53.710 52.037 -0.424 0.000 0.616 102 A CB -1.114 17.635 19.000 -0.419 0.000 0.823 102 A HN 0.576 nan 8.150 nan 0.000 0.442 103 A N -0.175 122.560 122.820 -0.143 0.000 1.940 103 A HA 0.104 4.614 4.320 0.318 0.000 0.219 103 A C 2.442 179.961 177.584 -0.108 0.000 1.176 103 A CA 2.250 54.239 52.037 -0.079 0.000 0.631 103 A CB -0.891 18.129 19.000 0.034 0.000 0.814 103 A HN 1.073 nan 8.150 nan 0.000 0.446 104 A N -0.628 122.138 122.820 -0.090 0.000 1.970 104 A HA 0.341 4.852 4.320 0.318 0.000 0.216 104 A C 2.389 179.890 177.584 -0.138 0.000 1.170 104 A CA 1.528 53.501 52.037 -0.107 0.000 0.645 104 A CB -0.729 18.248 19.000 -0.038 0.000 0.816 104 A HN 0.987 nan 8.150 nan 0.000 0.447 105 A N -0.502 122.238 122.820 -0.133 0.000 2.014 105 A HA 0.100 4.610 4.320 0.318 0.000 0.218 105 A C 2.126 179.611 177.584 -0.165 0.000 1.163 105 A CA 1.520 53.477 52.037 -0.135 0.000 0.652 105 A CB -0.605 18.315 19.000 -0.133 0.000 0.808 105 A HN 0.307 nan 8.150 nan 0.000 0.449 106 V N -0.486 119.314 119.914 -0.190 0.000 2.307 106 V HA -0.193 4.118 4.120 0.318 0.000 0.245 106 V C 2.544 178.512 176.094 -0.210 0.000 1.045 106 V CA 1.921 64.095 62.300 -0.210 0.000 1.024 106 V CB -0.637 31.044 31.823 -0.237 0.000 0.651 106 V HN 0.362 nan 8.190 nan 0.000 0.449 107 V N -0.341 119.424 119.914 -0.249 0.000 2.407 107 V HA -0.178 4.133 4.120 0.318 0.000 0.248 107 V C 2.292 178.216 176.094 -0.282 0.000 1.055 107 V CA 1.737 63.836 62.300 -0.334 0.000 1.049 107 V CB -0.239 31.219 31.823 -0.608 0.000 0.662 107 V HN 0.416 nan 8.190 nan 0.000 0.455 108 V N -0.786 118.991 119.914 -0.228 0.000 2.599 108 V HA 0.405 4.716 4.120 0.318 0.000 0.245 108 V C 1.174 177.195 176.094 -0.122 0.000 1.046 108 V CA 1.060 63.261 62.300 -0.164 0.000 1.065 108 V CB -0.640 31.104 31.823 -0.132 0.000 0.703 108 V HN 0.761 nan 8.190 nan 0.000 0.464 109 G N 0.161 108.879 108.800 -0.137 0.000 2.746 109 G HA2 -0.116 4.035 3.960 0.318 0.000 0.685 109 G HA3 -0.116 4.035 3.960 0.318 0.000 0.685 109 G C -1.957 172.846 174.900 -0.160 0.000 1.350 109 G CA -0.259 44.756 45.100 -0.141 0.000 0.837 109 G HN 0.199 nan 8.290 nan 0.000 0.564 110 P HA 0.007 nan 4.420 nan 0.000 0.222 110 P C 0.955 178.065 177.300 -0.317 0.000 1.147 110 P CA 1.530 64.409 63.100 -0.368 0.000 0.790 110 P CB 0.039 31.373 31.700 -0.610 0.000 0.780 111 H N -2.655 116.396 119.070 -0.031 0.000 2.893 111 H HA 0.401 5.147 4.556 0.317 0.000 0.270 111 H C 1.177 176.491 175.328 -0.023 0.000 1.095 111 H CA -0.016 56.019 56.048 -0.022 0.000 1.186 111 H CB 0.196 29.948 29.762 -0.018 0.000 1.562 111 H HN 0.029 nan 8.280 nan 0.000 0.536 112 G N 0.502 109.335 108.800 0.055 0.000 2.613 112 G HA2 0.463 4.614 3.960 0.318 0.000 0.303 112 G HA3 0.463 4.614 3.960 0.318 0.000 0.303 112 G C -0.120 174.783 174.900 0.005 0.000 1.312 112 G CA -0.221 44.891 45.100 0.020 0.000 1.036 112 G HN 0.224 nan 8.290 nan 0.000 0.513 113 T N -3.073 111.478 114.554 -0.004 0.000 2.901 113 T HA 0.566 5.107 4.350 0.318 0.000 0.293 113 T C -2.295 172.393 174.700 -0.021 0.000 1.084 113 T CA -1.567 60.530 62.100 -0.006 0.000 1.008 113 T CB 2.375 71.247 68.868 0.006 0.000 1.170 113 T HN 0.119 nan 8.240 nan 0.000 0.509 114 P HA 0.020 nan 4.420 nan 0.000 0.222 114 P C 0.713 178.012 177.300 -0.003 0.000 1.147 114 P CA 0.818 63.901 63.100 -0.027 0.000 0.790 114 P CB 0.071 31.764 31.700 -0.012 0.000 0.780 115 D N -0.964 119.442 120.400 0.009 0.000 2.249 115 D HA -0.068 4.762 4.640 0.318 0.000 0.205 115 D C 0.661 176.975 176.300 0.024 0.000 0.962 115 D CA 0.759 54.772 54.000 0.023 0.000 0.860 115 D CB 0.074 40.886 40.800 0.019 0.000 0.955 115 D HN 0.089 nan 8.370 nan 0.000 0.505 116 E N 0.170 120.378 120.200 0.013 0.000 3.037 116 E HA 0.235 4.776 4.350 0.318 0.000 0.220 116 E C -2.593 174.004 176.600 -0.004 0.000 1.142 116 E CA -2.179 54.229 56.400 0.013 0.000 0.888 116 E CB 1.233 30.942 29.700 0.014 0.000 1.329 116 E HN 0.028 nan 8.360 nan 0.000 0.409 117 P HA 0.076 nan 4.420 nan 0.000 0.271 117 P C -0.437 176.838 177.300 -0.042 0.000 1.216 117 P CA 0.008 63.067 63.100 -0.068 0.000 0.776 117 P CB 0.701 32.318 31.700 -0.139 0.000 0.881 118 K N 1.496 121.865 120.400 -0.051 0.000 2.734 118 K HA 0.288 4.799 4.320 0.318 0.000 0.200 118 K C 0.732 177.303 176.600 -0.048 0.000 1.120 118 K CA -0.215 56.057 56.287 -0.025 0.000 1.067 118 K CB 0.955 33.461 32.500 0.011 0.000 0.771 118 K HN 0.578 nan 8.250 nan 0.000 0.481 119 G N 0.572 109.320 108.800 -0.086 0.000 3.392 119 G HA2 0.458 4.609 3.960 0.318 0.000 0.188 119 G HA3 0.458 4.609 3.960 0.318 0.000 0.188 119 G C -0.294 174.553 174.900 -0.089 0.000 1.485 119 G CA -0.097 44.939 45.100 -0.106 0.000 0.943 119 G HN 0.048 nan 8.290 nan 0.000 0.627 120 V N -2.879 116.968 119.914 -0.111 0.000 2.962 120 V HA 0.717 5.028 4.120 0.318 0.000 0.313 120 V C -2.997 173.041 176.094 -0.092 0.000 1.099 120 V CA -2.595 59.656 62.300 -0.081 0.000 0.971 120 V CB 1.916 33.700 31.823 -0.065 0.000 1.028 120 V HN 0.392 nan 8.190 nan 0.000 0.430 121 P HA 0.376 nan 4.420 nan 0.000 0.267 121 P C -0.872 176.373 177.300 -0.093 0.000 1.205 121 P CA 0.158 63.204 63.100 -0.091 0.000 0.765 121 P CB 0.906 32.592 31.700 -0.022 0.000 0.828 122 V N 4.561 124.327 119.914 -0.246 0.000 2.709 122 V HA 0.436 4.747 4.120 0.318 0.000 0.308 122 V C -0.656 175.252 176.094 -0.310 0.000 1.062 122 V CA -0.322 61.917 62.300 -0.100 0.000 0.901 122 V CB 1.701 33.503 31.823 -0.034 0.000 1.003 122 V HN 0.305 nan 8.190 nan 0.000 0.425 123 F N 3.216 123.283 119.950 0.195 0.000 2.564 123 F HA 0.829 5.546 4.527 0.316 0.000 0.361 123 F C 0.319 176.246 175.800 0.212 0.000 1.161 123 F CA -0.288 57.861 58.000 0.249 0.000 1.198 123 F CB 1.534 40.582 39.000 0.081 0.000 1.424 123 F HN 0.619 nan 8.300 nan 0.000 0.517 124 A N 2.196 125.265 122.820 0.414 0.000 2.582 124 A HA 0.782 5.293 4.320 0.318 0.000 0.297 124 A C -2.049 175.805 177.584 0.451 0.000 1.059 124 A CA -0.794 51.383 52.037 0.234 0.000 0.705 124 A CB 0.894 19.994 19.000 0.167 0.000 1.279 124 A HN 0.684 nan 8.150 nan 0.000 0.404 125 W N 0.970 122.378 121.300 0.181 0.000 3.137 125 W HA 0.727 5.578 4.660 0.318 0.000 0.324 125 W C -0.774 175.848 176.519 0.172 0.000 1.253 125 W CA -0.869 56.571 57.345 0.158 0.000 1.183 125 W CB 1.146 30.695 29.460 0.147 0.000 1.424 125 W HN 0.743 nan 8.180 nan 0.000 0.566 126 K N 1.711 122.328 120.400 0.362 0.000 2.339 126 K HA 0.457 4.967 4.320 0.318 0.000 0.286 126 K C 0.793 177.613 176.600 0.365 0.000 1.050 126 K CA 0.864 57.324 56.287 0.289 0.000 0.956 126 K CB 0.246 32.897 32.500 0.252 0.000 0.990 126 K HN 1.357 nan 8.250 nan 0.000 0.475 127 G N 3.146 112.169 108.800 0.372 0.000 2.167 127 G HA2 -0.198 3.952 3.960 0.318 0.000 0.194 127 G HA3 -0.198 3.952 3.960 0.318 0.000 0.194 127 G C -0.528 174.566 174.900 0.323 0.000 1.027 127 G CA -0.287 45.076 45.100 0.439 0.000 0.717 127 G HN 0.701 nan 8.290 nan 0.000 0.501 128 E N 1.090 121.325 120.200 0.058 0.000 2.404 128 E HA 0.410 4.950 4.350 0.318 0.000 0.261 128 E C 1.432 178.066 176.600 0.057 0.000 1.074 128 E CA 0.441 56.824 56.400 -0.029 0.000 0.917 128 E CB 0.589 30.067 29.700 -0.369 0.000 0.965 128 E HN 0.487 nan 8.360 nan 0.000 0.433 129 T N -0.720 113.913 114.554 0.131 0.000 2.732 129 T HA 0.135 4.676 4.350 0.318 0.000 0.287 129 T C 1.311 176.056 174.700 0.076 0.000 0.993 129 T CA -0.606 61.557 62.100 0.105 0.000 0.966 129 T CB 0.403 69.354 68.868 0.138 0.000 1.047 129 T HN 0.394 nan 8.240 nan 0.000 0.527 130 L N -0.177 121.106 121.223 0.100 0.000 2.156 130 L HA 0.016 4.546 4.340 0.318 0.000 0.208 130 L C 3.060 180.116 176.870 0.309 0.000 1.095 130 L CA 1.519 56.460 54.840 0.168 0.000 0.770 130 L CB -0.604 41.565 42.059 0.184 0.000 0.914 130 L HN 0.879 nan 8.230 nan 0.000 0.439 131 E N 0.714 121.063 120.200 0.248 0.000 2.051 131 E HA -0.258 4.283 4.350 0.318 0.000 0.192 131 E C 1.934 178.702 176.600 0.281 0.000 0.991 131 E CA 1.440 57.996 56.400 0.260 0.000 0.799 131 E CB 0.083 29.884 29.700 0.168 0.000 0.748 131 E HN 0.489 nan 8.360 nan 0.000 0.449 132 E N -0.707 119.629 120.200 0.226 0.000 2.204 132 E HA -0.197 4.343 4.350 0.318 0.000 0.194 132 E C 1.734 178.449 176.600 0.192 0.000 0.989 132 E CA 0.951 57.497 56.400 0.244 0.000 0.824 132 E CB -0.165 29.706 29.700 0.285 0.000 0.756 132 E HN 0.403 nan 8.360 nan 0.000 0.477 133 Y N -0.590 119.685 120.300 -0.042 0.000 2.220 133 Y HA -0.185 4.555 4.550 0.317 0.000 0.291 133 Y C 1.450 177.228 175.900 -0.204 0.000 1.129 133 Y CA 1.400 59.354 58.100 -0.243 0.000 1.161 133 Y CB -0.280 37.930 38.460 -0.417 0.000 0.997 133 Y HN 0.036 nan 8.280 nan 0.000 0.522 134 W N -1.257 120.071 121.300 0.047 0.000 2.436 134 W HA -0.098 4.752 4.660 0.315 0.000 0.284 134 W C 2.132 178.656 176.519 0.009 0.000 1.225 134 W CA 0.746 58.072 57.345 -0.031 0.000 1.271 134 W CB -0.794 28.734 29.460 0.114 0.000 1.114 134 W HN 0.293 nan 8.180 nan 0.000 0.559 135 W N 1.072 122.445 121.300 0.122 0.000 2.388 135 W HA -0.141 4.711 4.660 0.320 0.000 0.294 135 W C 2.265 178.762 176.519 -0.037 0.000 1.212 135 W CA 2.698 60.085 57.345 0.070 0.000 1.271 135 W CB -0.501 29.026 29.460 0.112 0.000 1.126 135 W HN -0.155 nan 8.180 nan 0.000 0.535 136 A N 0.973 123.857 122.820 0.107 0.000 1.855 136 A HA -0.017 4.494 4.320 0.318 0.000 0.215 136 A C 2.155 179.513 177.584 -0.376 0.000 1.191 136 A CA 2.470 54.432 52.037 -0.124 0.000 0.613 136 A CB -1.648 17.380 19.000 0.045 0.000 0.829 136 A HN 0.436 nan 8.150 nan 0.000 0.442 137 A N 0.047 122.639 122.820 -0.380 0.000 1.873 137 A HA -0.372 4.139 4.320 0.318 0.000 0.219 137 A C 1.993 179.452 177.584 -0.209 0.000 1.269 137 A CA 2.609 54.448 52.037 -0.331 0.000 0.671 137 A CB -1.156 17.647 19.000 -0.328 0.000 0.842 137 A HN 0.698 nan 8.150 nan 0.000 0.460 138 E N -1.151 118.984 120.200 -0.109 0.000 2.086 138 E HA -0.322 4.219 4.350 0.318 0.000 0.205 138 E C 2.186 178.596 176.600 -0.316 0.000 1.027 138 E CA 1.885 58.257 56.400 -0.045 0.000 0.830 138 E CB -0.168 29.523 29.700 -0.014 0.000 0.751 138 E HN 0.663 nan 8.360 nan 0.000 0.456 139 Q N -0.009 119.362 119.800 -0.714 0.000 2.124 139 Q HA -0.194 4.337 4.340 0.318 0.000 0.202 139 Q C 2.150 177.591 176.000 -0.932 0.000 0.977 139 Q CA 1.440 56.600 55.803 -1.071 0.000 0.850 139 Q CB -0.597 26.933 28.738 -2.012 0.000 0.901 139 Q HN 0.493 nan 8.270 nan 0.000 0.429 140 M N 0.102 119.274 119.600 -0.713 0.000 2.213 140 M HA -0.111 4.559 4.480 0.318 0.000 0.263 140 M C 1.504 177.674 176.300 -0.216 0.000 1.062 140 M CA 1.392 56.477 55.300 -0.359 0.000 1.105 140 M CB -0.111 32.349 32.600 -0.234 0.000 1.385 140 M HN 0.192 nan 8.290 nan 0.000 0.417 141 L N -0.266 120.885 121.223 -0.120 0.000 2.529 141 L HA 0.062 4.593 4.340 0.318 0.000 0.223 141 L C 0.246 177.193 176.870 0.128 0.000 1.113 141 L CA 0.186 55.082 54.840 0.093 0.000 0.861 141 L CB 0.132 42.330 42.059 0.232 0.000 1.012 141 L HN 0.082 nan 8.230 nan 0.000 0.461 142 T N 0.070 114.586 114.554 -0.063 0.000 3.029 142 T HA 0.179 4.720 4.350 0.318 0.000 0.346 142 T C -0.678 173.978 174.700 -0.073 0.000 1.211 142 T CA -0.449 61.600 62.100 -0.084 0.000 1.009 142 T CB -0.031 68.707 68.868 -0.217 0.000 1.084 142 T HN 0.014 nan 8.240 nan 0.000 0.536 143 W N 4.139 125.374 121.300 -0.109 0.000 2.161 143 W HA 0.291 5.147 4.660 0.327 0.000 0.344 143 W C -0.946 175.537 176.519 -0.061 0.000 1.262 143 W CA -1.757 55.549 57.345 -0.066 0.000 1.270 143 W CB 0.248 29.677 29.460 -0.053 0.000 1.126 143 W HN 0.387 nan 8.180 nan 0.000 0.598 144 P HA -0.117 nan 4.420 nan 0.000 0.222 144 P C -0.114 177.227 177.300 0.069 0.000 1.153 144 P CA 1.236 64.375 63.100 0.065 0.000 0.798 144 P CB 0.295 32.025 31.700 0.050 0.000 0.796 145 D N 0.278 120.742 120.400 0.107 0.000 2.373 145 D HA 0.176 5.006 4.640 0.318 0.000 0.227 145 D C -1.800 174.527 176.300 0.044 0.000 1.091 145 D CA -2.619 51.420 54.000 0.064 0.000 0.840 145 D CB 1.101 41.940 40.800 0.065 0.000 1.060 145 D HN -0.122 nan 8.370 nan 0.000 0.502 146 P HA -0.046 nan 4.420 nan 0.000 0.223 146 P C 0.122 177.412 177.300 -0.016 0.000 1.144 146 P CA 0.704 63.797 63.100 -0.012 0.000 0.783 146 P CB 0.327 32.010 31.700 -0.029 0.000 0.771 147 D N -0.768 119.626 120.400 -0.009 0.000 2.319 147 D HA 0.066 4.897 4.640 0.318 0.000 0.230 147 D C 0.338 176.626 176.300 -0.020 0.000 1.094 147 D CA 0.556 54.547 54.000 -0.014 0.000 0.856 147 D CB 0.057 40.852 40.800 -0.008 0.000 0.915 147 D HN 0.225 nan 8.370 nan 0.000 0.517 148 K N 1.096 121.483 120.400 -0.022 0.000 2.950 148 K HA 0.232 4.742 4.320 0.318 0.000 0.199 148 K C -2.783 173.751 176.600 -0.110 0.000 1.144 148 K CA -1.233 55.017 56.287 -0.062 0.000 0.983 148 K CB 2.468 34.943 32.500 -0.041 0.000 1.187 148 K HN -0.073 nan 8.250 nan 0.000 0.595 149 P HA 0.090 nan 4.420 nan 0.000 0.277 149 P C -0.425 176.588 177.300 -0.478 0.000 1.271 149 P CA -0.601 62.397 63.100 -0.169 0.000 0.795 149 P CB 0.522 32.166 31.700 -0.094 0.000 1.101 150 A N 1.716 124.211 122.820 -0.542 0.000 2.598 150 A HA -0.057 4.454 4.320 0.318 0.000 0.239 150 A C 0.890 178.236 177.584 -0.397 0.000 1.032 150 A CA 0.567 52.237 52.037 -0.611 0.000 0.760 150 A CB -0.968 17.971 19.000 -0.101 0.000 0.946 150 A HN 0.737 nan 8.150 nan 0.000 0.512 151 N N 1.027 119.481 118.700 -0.410 0.000 2.171 151 N HA 0.209 5.139 4.740 0.318 0.000 0.212 151 N C -0.348 175.082 175.510 -0.133 0.000 1.184 151 N CA 0.028 52.962 53.050 -0.193 0.000 0.888 151 N CB 0.434 38.897 38.487 -0.041 0.000 1.038 151 N HN 0.452 nan 8.380 nan 0.000 0.517 152 M N 0.514 119.984 119.600 -0.217 0.000 2.575 152 M HA 0.480 5.150 4.480 0.318 0.000 0.284 152 M C -1.446 174.740 176.300 -0.190 0.000 1.253 152 M CA -0.482 54.708 55.300 -0.184 0.000 0.861 152 M CB 2.523 35.023 32.600 -0.167 0.000 1.733 152 M HN -0.108 nan 8.290 nan 0.000 0.462 153 I N 1.896 122.350 120.570 -0.193 0.000 2.545 153 I HA 0.505 4.866 4.170 0.318 0.000 0.292 153 I C -1.197 174.845 176.117 -0.125 0.000 1.040 153 I CA -0.793 60.411 61.300 -0.160 0.000 1.068 153 I CB 2.785 40.685 38.000 -0.167 0.000 1.251 153 I HN 0.509 nan 8.210 nan 0.000 0.424 154 L N 5.703 126.831 121.223 -0.158 0.000 2.305 154 L HA 0.553 5.083 4.340 0.318 0.000 0.284 154 L C -1.257 175.515 176.870 -0.163 0.000 1.013 154 L CA -0.103 54.666 54.840 -0.120 0.000 0.819 154 L CB 1.150 43.162 42.059 -0.078 0.000 1.227 154 L HN 0.517 nan 8.230 nan 0.000 0.417 155 D N 2.459 122.819 120.400 -0.067 0.000 2.547 155 D HA 0.373 5.204 4.640 0.318 0.000 0.231 155 D C -1.767 174.526 176.300 -0.012 0.000 1.099 155 D CA -0.220 53.745 54.000 -0.058 0.000 0.901 155 D CB 2.496 43.292 40.800 -0.006 0.000 1.478 155 D HN 0.375 nan 8.370 nan 0.000 0.471 156 D N 0.428 120.815 120.400 -0.022 0.000 2.386 156 D HA 0.445 5.275 4.640 0.318 0.000 0.247 156 D C 0.684 176.991 176.300 0.012 0.000 1.336 156 D CA 0.078 54.070 54.000 -0.013 0.000 0.976 156 D CB 0.657 41.410 40.800 -0.077 0.000 1.257 156 D HN 0.606 nan 8.370 nan 0.000 0.570 157 G N 2.218 111.048 108.800 0.051 0.000 2.176 157 G HA2 -0.129 4.021 3.960 0.318 0.000 0.253 157 G HA3 -0.129 4.021 3.960 0.318 0.000 0.253 157 G C 1.048 176.106 174.900 0.264 0.000 0.979 157 G CA 0.485 45.658 45.100 0.123 0.000 0.641 157 G HN 1.573 nan 8.290 nan 0.000 0.530 158 G N -0.704 108.203 108.800 0.178 0.000 2.143 158 G HA2 -0.247 3.904 3.960 0.318 0.000 0.249 158 G HA3 -0.247 3.904 3.960 0.318 0.000 0.249 158 G C 0.693 175.720 174.900 0.212 0.000 0.981 158 G CA 1.047 46.264 45.100 0.196 0.000 0.665 158 G HN 0.620 nan 8.290 nan 0.000 0.528 159 D N 0.333 120.855 120.400 0.203 0.000 2.117 159 D HA 0.148 4.978 4.640 0.318 0.000 0.198 159 D C 2.685 179.118 176.300 0.222 0.000 0.982 159 D CA 1.712 55.857 54.000 0.241 0.000 0.828 159 D CB -0.475 40.435 40.800 0.182 0.000 0.967 159 D HN 0.658 nan 8.370 nan 0.000 0.464 160 A N 0.176 123.059 122.820 0.106 0.000 1.845 160 A HA -0.167 4.344 4.320 0.318 0.000 0.215 160 A C 2.358 180.006 177.584 0.106 0.000 1.195 160 A CA 2.305 54.386 52.037 0.072 0.000 0.616 160 A CB -1.069 17.922 19.000 -0.015 0.000 0.832 160 A HN 0.224 nan 8.150 nan 0.000 0.443 161 T N -0.153 114.474 114.554 0.121 0.000 2.759 161 T HA -0.188 4.352 4.350 0.318 0.000 0.269 161 T C 1.888 176.627 174.700 0.065 0.000 1.042 161 T CA 1.653 63.834 62.100 0.135 0.000 1.140 161 T CB -0.299 68.668 68.868 0.165 0.000 0.864 161 T HN 0.454 nan 8.240 nan 0.000 0.455 162 M N 0.344 120.037 119.600 0.156 0.000 2.296 162 M HA -0.019 4.652 4.480 0.318 0.000 0.265 162 M C 2.023 178.410 176.300 0.145 0.000 1.064 162 M CA 1.171 56.587 55.300 0.193 0.000 1.109 162 M CB -0.155 32.560 32.600 0.192 0.000 1.396 162 M HN 0.213 nan 8.290 nan 0.000 0.430 163 L N -0.120 121.174 121.223 0.119 0.000 2.072 163 L HA -0.079 4.451 4.340 0.318 0.000 0.205 163 L C 2.060 178.688 176.870 -0.404 0.000 1.079 163 L CA 1.472 56.276 54.840 -0.060 0.000 0.752 163 L CB -0.745 41.248 42.059 -0.111 0.000 0.906 163 L HN 0.102 nan 8.230 nan 0.000 0.436 164 V N -0.331 119.480 119.914 -0.171 0.000 2.270 164 V HA -0.277 4.034 4.120 0.318 0.000 0.245 164 V C 2.526 178.590 176.094 -0.050 0.000 1.043 164 V CA 1.973 64.269 62.300 -0.007 0.000 1.014 164 V CB -0.602 31.343 31.823 0.203 0.000 0.645 164 V HN 0.382 nan 8.190 nan 0.000 0.447 165 L N -0.677 120.467 121.223 -0.131 0.000 2.056 165 L HA -0.086 4.444 4.340 0.318 0.000 0.207 165 L C 2.894 179.640 176.870 -0.206 0.000 1.078 165 L CA 1.247 55.933 54.840 -0.257 0.000 0.749 165 L CB -0.713 40.948 42.059 -0.663 0.000 0.901 165 L HN 0.243 nan 8.230 nan 0.000 0.433 166 R N 0.564 120.983 120.500 -0.136 0.000 2.075 166 R HA -0.056 4.475 4.340 0.318 0.000 0.232 166 R C 2.306 178.345 176.300 -0.436 0.000 1.126 166 R CA 1.300 57.237 56.100 -0.271 0.000 0.963 166 R CB -1.351 29.020 30.300 0.118 0.000 0.858 166 R HN 0.389 nan 8.270 nan 0.000 0.435 167 G N 1.467 110.073 108.800 -0.323 0.000 2.514 167 G HA2 -0.341 3.810 3.960 0.318 0.000 0.217 167 G HA3 -0.341 3.810 3.960 0.318 0.000 0.217 167 G C 1.547 176.444 174.900 -0.005 0.000 1.198 167 G CA 1.090 45.978 45.100 -0.353 0.000 0.780 167 G HN 0.290 nan 8.290 nan 0.000 0.565 168 M N -0.082 119.543 119.600 0.041 0.000 2.065 168 M HA -0.149 4.521 4.480 0.318 0.000 0.259 168 M C 2.676 178.963 176.300 -0.023 0.000 1.069 168 M CA 2.310 57.658 55.300 0.080 0.000 1.110 168 M CB -0.311 32.328 32.600 0.066 0.000 1.328 168 M HN 0.388 nan 8.290 nan 0.000 0.405 169 Q N -0.611 119.093 119.800 -0.160 0.000 2.248 169 Q HA -0.232 4.299 4.340 0.318 0.000 0.208 169 Q C 1.312 177.180 176.000 -0.219 0.000 0.984 169 Q CA 1.838 57.506 55.803 -0.224 0.000 0.875 169 Q CB -0.134 28.399 28.738 -0.341 0.000 0.910 169 Q HN 0.701 nan 8.270 nan 0.000 0.433 170 Y N 0.132 120.385 120.300 -0.079 0.000 2.448 170 Y HA 0.076 4.817 4.550 0.320 0.000 0.289 170 Y C 1.927 177.661 175.900 -0.277 0.000 1.114 170 Y CA 0.486 58.472 58.100 -0.190 0.000 1.235 170 Y CB 0.018 38.318 38.460 -0.267 0.000 1.045 170 Y HN 0.165 nan 8.280 nan 0.000 0.554 171 E N 0.635 120.849 120.200 0.025 0.000 2.015 171 E HA -0.162 4.379 4.350 0.318 0.000 0.191 171 E C 1.929 178.613 176.600 0.141 0.000 0.991 171 E CA 0.995 57.488 56.400 0.155 0.000 0.802 171 E CB -0.139 29.751 29.700 0.316 0.000 0.759 171 E HN 0.332 nan 8.360 nan 0.000 0.447 172 K N 0.342 120.797 120.400 0.092 0.000 2.173 172 K HA -0.167 4.344 4.320 0.318 0.000 0.207 172 K C 1.832 178.467 176.600 0.058 0.000 1.046 172 K CA 1.213 57.542 56.287 0.070 0.000 0.929 172 K CB -0.102 32.421 32.500 0.037 0.000 0.720 172 K HN 0.070 nan 8.250 nan 0.000 0.453 173 A N -0.108 122.735 122.820 0.038 0.000 2.308 173 A HA 0.260 4.771 4.320 0.318 0.000 0.217 173 A C 1.431 179.029 177.584 0.023 0.000 1.216 173 A CA 0.714 52.770 52.037 0.033 0.000 0.864 173 A CB 0.014 19.040 19.000 0.043 0.000 0.902 173 A HN 0.382 nan 8.150 nan 0.000 0.499 174 G N -1.696 107.123 108.800 0.031 0.000 2.189 174 G HA2 -0.146 4.004 3.960 0.318 0.000 0.267 174 G HA3 -0.146 4.004 3.960 0.318 0.000 0.267 174 G C 0.230 175.088 174.900 -0.070 0.000 0.975 174 G CA 0.677 45.844 45.100 0.112 0.000 0.644 174 G HN 1.525 nan 8.290 nan 0.000 0.537 175 V N -0.596 119.156 119.914 -0.270 0.000 3.048 175 V HA 0.647 4.957 4.120 0.318 0.000 0.303 175 V C -0.715 175.158 176.094 -0.368 0.000 1.214 175 V CA -0.451 61.678 62.300 -0.285 0.000 0.984 175 V CB 2.458 34.218 31.823 -0.104 0.000 1.054 175 V HN 0.624 nan 8.190 nan 0.000 0.430 176 V N 6.977 126.629 119.914 -0.436 0.000 2.398 176 V HA 0.518 4.829 4.120 0.318 0.000 0.286 176 V C -2.173 173.652 176.094 -0.449 0.000 1.026 176 V CA -1.580 60.347 62.300 -0.621 0.000 0.868 176 V CB 1.604 33.051 31.823 -0.626 0.000 0.982 176 V HN 0.857 nan 8.190 nan 0.000 0.443 177 P HA 0.236 nan 4.420 nan 0.000 0.271 177 P C -2.563 174.623 177.300 -0.191 0.000 1.220 177 P CA -1.199 61.768 63.100 -0.222 0.000 0.768 177 P CB 0.108 31.736 31.700 -0.120 0.000 0.848 178 P HA 0.098 nan 4.420 nan 0.000 0.271 178 P C -0.240 177.041 177.300 -0.033 0.000 1.220 178 P CA -0.072 62.978 63.100 -0.082 0.000 0.768 178 P CB 0.454 32.124 31.700 -0.050 0.000 0.848 179 A N 3.880 126.684 122.820 -0.028 0.000 2.488 179 A HA 0.097 4.607 4.320 0.318 0.000 0.249 179 A C 0.516 178.142 177.584 0.069 0.000 1.083 179 A CA -0.299 51.775 52.037 0.062 0.000 0.768 179 A CB -0.364 18.668 19.000 0.052 0.000 1.017 179 A HN 0.572 nan 8.150 nan 0.000 0.496 180 E N 1.672 121.930 120.200 0.097 0.000 2.398 180 E HA 0.045 4.586 4.350 0.318 0.000 0.263 180 E C 0.915 177.551 176.600 0.060 0.000 1.046 180 E CA 0.340 56.776 56.400 0.061 0.000 0.908 180 E CB 0.631 30.360 29.700 0.049 0.000 0.963 180 E HN 0.825 nan 8.360 nan 0.000 0.431 181 E N 2.212 122.435 120.200 0.039 0.000 2.058 181 E HA -0.242 4.298 4.350 0.318 0.000 0.194 181 E C 0.003 176.627 176.600 0.039 0.000 0.997 181 E CA 1.498 57.920 56.400 0.037 0.000 0.801 181 E CB -0.363 29.352 29.700 0.026 0.000 0.746 181 E HN 0.514 nan 8.360 nan 0.000 0.450 182 D N 1.513 121.930 120.400 0.027 0.000 2.994 182 D HA 0.202 5.032 4.640 0.318 0.000 0.240 182 D C -0.779 175.529 176.300 0.013 0.000 1.195 182 D CA -0.149 53.861 54.000 0.017 0.000 0.957 182 D CB 0.040 40.842 40.800 0.004 0.000 1.105 182 D HN -0.047 nan 8.370 nan 0.000 0.477 183 D N 0.552 120.979 120.400 0.045 0.000 2.457 183 D HA 0.320 5.150 4.640 0.318 0.000 0.240 183 D C -2.321 174.033 176.300 0.089 0.000 1.041 183 D CA -1.955 52.075 54.000 0.050 0.000 0.861 183 D CB 1.596 42.487 40.800 0.152 0.000 1.394 183 D HN -0.063 nan 8.370 nan 0.000 0.473 184 P HA -0.005 nan 4.420 nan 0.000 0.266 184 P C 0.156 177.546 177.300 0.150 0.000 1.180 184 P CA 0.072 63.228 63.100 0.092 0.000 0.765 184 P CB 0.565 32.310 31.700 0.075 0.000 0.806 185 A N 2.625 125.514 122.820 0.115 0.000 2.067 185 A HA -0.187 4.323 4.320 0.318 0.000 0.219 185 A C 2.078 179.753 177.584 0.152 0.000 1.158 185 A CA 1.553 53.661 52.037 0.118 0.000 0.661 185 A CB -0.896 18.162 19.000 0.096 0.000 0.801 185 A HN 0.676 nan 8.150 nan 0.000 0.452 186 E N -1.127 119.182 120.200 0.182 0.000 2.152 186 E HA -0.161 4.379 4.350 0.318 0.000 0.192 186 E C 1.771 178.525 176.600 0.256 0.000 0.983 186 E CA 0.667 57.227 56.400 0.267 0.000 0.818 186 E CB -0.211 29.654 29.700 0.274 0.000 0.758 186 E HN 0.822 nan 8.360 nan 0.000 0.467 187 W N 1.381 122.695 121.300 0.023 0.000 2.379 187 W HA -0.195 4.654 4.660 0.316 0.000 0.307 187 W C 1.695 178.230 176.519 0.026 0.000 1.200 187 W CA 1.296 58.643 57.345 0.004 0.000 1.297 187 W CB 0.046 29.492 29.460 -0.025 0.000 1.140 187 W HN 0.004 nan 8.180 nan 0.000 0.507 188 K N 0.006 120.459 120.400 0.089 0.000 2.074 188 K HA -0.210 4.300 4.320 0.318 0.000 0.209 188 K C 1.753 178.295 176.600 -0.097 0.000 1.048 188 K CA 2.016 58.288 56.287 -0.026 0.000 0.926 188 K CB -0.825 31.698 32.500 0.038 0.000 0.713 188 K HN -0.009 nan 8.250 nan 0.000 0.444 189 V N 0.433 120.330 119.914 -0.027 0.000 2.358 189 V HA -0.214 4.097 4.120 0.318 0.000 0.246 189 V C 1.871 177.826 176.094 -0.231 0.000 1.047 189 V CA 1.683 63.970 62.300 -0.022 0.000 1.035 189 V CB -0.476 31.451 31.823 0.174 0.000 0.658 189 V HN 0.259 nan 8.190 nan 0.000 0.452 190 F N 0.531 120.096 119.950 -0.643 0.000 2.095 190 F HA -0.192 4.524 4.527 0.316 0.000 0.298 190 F C 1.999 177.317 175.800 -0.803 0.000 1.104 190 F CA 1.754 59.102 58.000 -1.086 0.000 1.232 190 F CB -0.285 37.961 39.000 -1.257 0.000 0.987 190 F HN 0.036 nan 8.300 nan 0.000 0.475 191 L N -0.015 120.718 121.223 -0.818 0.000 2.027 191 L HA -0.235 4.296 4.340 0.318 0.000 0.206 191 L C 2.290 178.847 176.870 -0.521 0.000 1.074 191 L CA 1.328 55.695 54.840 -0.788 0.000 0.745 191 L CB -1.095 40.568 42.059 -0.660 0.000 0.898 191 L HN 0.109 nan 8.230 nan 0.000 0.433 192 N N 0.537 119.030 118.700 -0.345 0.000 2.132 192 N HA -0.253 4.678 4.740 0.318 0.000 0.191 192 N C 1.812 177.220 175.510 -0.171 0.000 1.015 192 N CA 1.404 54.334 53.050 -0.200 0.000 0.864 192 N CB -0.406 38.015 38.487 -0.110 0.000 1.006 192 N HN 0.331 nan 8.380 nan 0.000 0.430 193 L N -0.003 121.080 121.223 -0.234 0.000 2.056 193 L HA -0.046 4.484 4.340 0.318 0.000 0.207 193 L C 1.848 178.651 176.870 -0.113 0.000 1.078 193 L CA 1.025 55.785 54.840 -0.132 0.000 0.749 193 L CB -0.089 41.880 42.059 -0.149 0.000 0.901 193 L HN 0.105 nan 8.230 nan 0.000 0.433 194 L N -0.619 120.430 121.223 -0.289 0.000 2.095 194 L HA -0.103 4.427 4.340 0.318 0.000 0.204 194 L C 2.825 179.663 176.870 -0.053 0.000 1.080 194 L CA 0.943 55.679 54.840 -0.173 0.000 0.759 194 L CB -0.555 41.237 42.059 -0.446 0.000 0.914 194 L HN 0.261 nan 8.230 nan 0.000 0.439 195 R N 0.012 120.415 120.500 -0.162 0.000 2.091 195 R HA -0.163 4.368 4.340 0.318 0.000 0.238 195 R C 2.144 178.465 176.300 0.035 0.000 1.136 195 R CA 2.137 58.190 56.100 -0.078 0.000 0.959 195 R CB -0.218 29.994 30.300 -0.148 0.000 0.856 195 R HN 0.293 nan 8.270 nan 0.000 0.437 196 T N 0.195 114.754 114.554 0.008 0.000 2.904 196 T HA -0.091 4.449 4.350 0.318 0.000 0.267 196 T C 1.668 176.406 174.700 0.063 0.000 1.059 196 T CA 1.232 63.353 62.100 0.035 0.000 1.137 196 T CB -0.203 68.680 68.868 0.025 0.000 0.879 196 T HN 0.194 nan 8.240 nan 0.000 0.467 197 R N 1.106 121.663 120.500 0.095 0.000 2.066 197 R HA 0.051 4.582 4.340 0.318 0.000 0.232 197 R C 1.874 178.248 176.300 0.123 0.000 1.131 197 R CA 1.235 57.401 56.100 0.111 0.000 0.955 197 R CB -1.243 29.178 30.300 0.201 0.000 0.851 197 R HN 0.376 nan 8.270 nan 0.000 0.432 198 F N 1.703 121.670 119.950 0.030 0.000 2.269 198 F HA -0.101 4.616 4.527 0.316 0.000 0.301 198 F C 1.541 177.340 175.800 -0.003 0.000 1.082 198 F CA 1.695 59.708 58.000 0.021 0.000 1.360 198 F CB -0.018 38.997 39.000 0.025 0.000 1.041 198 F HN 0.206 nan 8.300 nan 0.000 0.512 199 E N -0.986 119.235 120.200 0.036 0.000 2.204 199 E HA -0.184 4.357 4.350 0.318 0.000 0.195 199 E C 2.044 178.577 176.600 -0.113 0.000 0.990 199 E CA 1.729 58.104 56.400 -0.043 0.000 0.821 199 E CB -0.161 29.544 29.700 0.008 0.000 0.750 199 E HN 0.563 nan 8.360 nan 0.000 0.477 200 T N -2.621 111.871 114.554 -0.104 0.000 3.056 200 T HA 0.009 4.549 4.350 0.318 0.000 0.243 200 T C 0.534 175.147 174.700 -0.146 0.000 0.995 200 T CA -0.129 61.907 62.100 -0.108 0.000 1.091 200 T CB 0.421 69.251 68.868 -0.064 0.000 0.990 200 T HN -0.162 nan 8.240 nan 0.000 0.464 201 D N 0.821 121.128 120.400 -0.155 0.000 2.481 201 D HA 0.359 5.190 4.640 0.318 0.000 0.246 201 D C 0.478 176.659 176.300 -0.199 0.000 1.109 201 D CA -0.530 53.371 54.000 -0.165 0.000 0.845 201 D CB 1.763 42.471 40.800 -0.154 0.000 1.160 201 D HN 0.004 nan 8.370 nan 0.000 0.534 202 K N 1.863 122.119 120.400 -0.240 0.000 2.379 202 K HA 0.043 4.554 4.320 0.318 0.000 0.194 202 K C 0.298 176.911 176.600 0.022 0.000 1.031 202 K CA 0.356 56.481 56.287 -0.271 0.000 1.037 202 K CB 0.737 33.034 32.500 -0.338 0.000 0.824 202 K HN 0.424 nan 8.250 nan 0.000 0.516 203 D N -0.206 120.185 120.400 -0.016 0.000 2.599 203 D HA 0.033 4.864 4.640 0.318 0.000 0.249 203 D C 1.153 177.435 176.300 -0.030 0.000 1.313 203 D CA -0.280 53.732 54.000 0.021 0.000 0.815 203 D CB 0.289 41.090 40.800 0.002 0.000 1.077 203 D HN -0.139 nan 8.370 nan 0.000 0.492 204 K N 0.141 120.469 120.400 -0.120 0.000 2.001 204 K HA -0.107 4.404 4.320 0.318 0.000 0.208 204 K C 0.935 177.340 176.600 -0.326 0.000 1.048 204 K CA 1.326 57.410 56.287 -0.337 0.000 0.932 204 K CB -0.077 32.050 32.500 -0.622 0.000 0.715 204 K HN 0.204 nan 8.250 nan 0.000 0.437 205 W N 0.628 121.952 121.300 0.041 0.000 2.476 205 W HA -0.012 4.836 4.660 0.313 0.000 0.281 205 W C 2.260 178.802 176.519 0.037 0.000 1.230 205 W CA 0.568 57.934 57.345 0.035 0.000 1.287 205 W CB -0.454 29.024 29.460 0.030 0.000 1.108 205 W HN 0.078 nan 8.180 nan 0.000 0.567 206 T N 0.932 115.622 114.554 0.227 0.000 2.635 206 T HA -0.237 4.304 4.350 0.318 0.000 0.267 206 T C 1.779 176.535 174.700 0.093 0.000 1.040 206 T CA 1.563 63.745 62.100 0.136 0.000 1.156 206 T CB -0.291 68.638 68.868 0.103 0.000 0.863 206 T HN 0.008 nan 8.240 nan 0.000 0.430 207 K N 0.648 121.076 120.400 0.047 0.000 2.148 207 K HA 0.074 4.585 4.320 0.318 0.000 0.204 207 K C 2.260 178.872 176.600 0.020 0.000 1.050 207 K CA 0.905 57.200 56.287 0.014 0.000 0.942 207 K CB -0.447 32.037 32.500 -0.027 0.000 0.724 207 K HN 0.431 nan 8.250 nan 0.000 0.446 208 I N 0.791 121.385 120.570 0.040 0.000 2.286 208 I HA -0.194 4.167 4.170 0.318 0.000 0.245 208 I C 2.519 178.696 176.117 0.100 0.000 1.104 208 I CA 0.894 62.230 61.300 0.059 0.000 1.397 208 I CB -0.397 37.671 38.000 0.112 0.000 1.072 208 I HN 0.004 nan 8.210 nan 0.000 0.417 209 A N 0.797 123.728 122.820 0.184 0.000 1.877 209 A HA -0.220 4.291 4.320 0.318 0.000 0.216 209 A C 2.190 179.914 177.584 0.233 0.000 1.186 209 A CA 1.694 53.899 52.037 0.280 0.000 0.620 209 A CB -0.649 18.499 19.000 0.247 0.000 0.822 209 A HN 0.445 nan 8.150 nan 0.000 0.443 210 E N -0.412 119.870 120.200 0.136 0.000 2.338 210 E HA -0.107 4.434 4.350 0.318 0.000 0.197 210 E C 1.990 178.631 176.600 0.067 0.000 1.007 210 E CA 0.962 57.422 56.400 0.099 0.000 0.849 210 E CB -0.081 29.656 29.700 0.062 0.000 0.774 210 E HN 0.618 nan 8.360 nan 0.000 0.506 211 S N 0.103 115.826 115.700 0.039 0.000 2.456 211 S HA 0.002 4.663 4.470 0.318 0.000 0.224 211 S C 0.897 175.468 174.600 -0.049 0.000 1.035 211 S CA -0.165 58.028 58.200 -0.012 0.000 0.940 211 S CB 0.328 63.502 63.200 -0.043 0.000 0.799 211 S HN -0.059 nan 8.310 nan 0.000 0.508 212 V N 3.485 123.339 119.914 -0.099 0.000 2.479 212 V HA 0.149 4.459 4.120 0.318 0.000 0.281 212 V C 0.761 176.731 176.094 -0.208 0.000 1.031 212 V CA 0.357 62.492 62.300 -0.274 0.000 1.038 212 V CB 1.037 32.482 31.823 -0.630 0.000 0.981 212 V HN 0.449 nan 8.190 nan 0.000 0.478 213 K N 3.573 123.905 120.400 -0.112 0.000 2.404 213 K HA 0.405 4.916 4.320 0.318 0.000 0.194 213 K C 0.717 177.304 176.600 -0.022 0.000 1.023 213 K CA 0.496 56.773 56.287 -0.017 0.000 1.094 213 K CB 0.564 33.085 32.500 0.034 0.000 0.841 213 K HN 0.854 nan 8.250 nan 0.000 0.523 214 G N 0.352 109.071 108.800 -0.135 0.000 2.340 214 G HA2 0.268 4.419 3.960 0.318 0.000 0.298 214 G HA3 0.268 4.419 3.960 0.318 0.000 0.298 214 G C -2.177 172.638 174.900 -0.142 0.000 1.498 214 G CA -0.696 44.362 45.100 -0.069 0.000 0.847 214 G HN -0.081 nan 8.290 nan 0.000 0.594 215 V N 0.424 120.337 119.914 -0.002 0.000 2.656 215 V HA 0.896 5.206 4.120 0.318 0.000 0.307 215 V C -0.018 176.095 176.094 0.031 0.000 1.051 215 V CA 0.200 62.502 62.300 0.002 0.000 0.893 215 V CB 2.118 34.013 31.823 0.119 0.000 0.999 215 V HN 1.622 nan 8.190 nan 0.000 0.426 216 T N 2.462 117.021 114.554 0.009 0.000 2.779 216 T HA 0.703 5.244 4.350 0.318 0.000 0.280 216 T C -0.632 174.093 174.700 0.043 0.000 0.987 216 T CA -0.522 61.596 62.100 0.030 0.000 0.966 216 T CB 1.449 70.331 68.868 0.022 0.000 0.933 216 T HN 0.810 nan 8.240 nan 0.000 0.442 217 E N 1.761 121.994 120.200 0.056 0.000 2.158 217 E HA 0.325 4.866 4.350 0.318 0.000 0.271 217 E C 0.686 177.317 176.600 0.053 0.000 0.911 217 E CA -0.695 55.736 56.400 0.051 0.000 0.767 217 E CB 1.858 31.586 29.700 0.047 0.000 1.120 217 E HN 0.792 nan 8.360 nan 0.000 0.405 218 E N 2.617 122.854 120.200 0.062 0.000 2.170 218 E HA 0.037 4.578 4.350 0.318 0.000 0.191 218 E C 0.003 176.634 176.600 0.051 0.000 0.981 218 E CA 0.703 57.152 56.400 0.082 0.000 0.830 218 E CB 0.352 30.130 29.700 0.129 0.000 0.775 218 E HN 0.392 nan 8.360 nan 0.000 0.470 219 T N -1.577 112.992 114.554 0.025 0.000 2.916 219 T HA 0.261 4.801 4.350 0.318 0.000 0.292 219 T C 0.710 175.385 174.700 -0.041 0.000 1.055 219 T CA -0.114 61.986 62.100 -0.001 0.000 1.009 219 T CB 1.536 70.403 68.868 -0.001 0.000 1.118 219 T HN 0.048 nan 8.240 nan 0.000 0.497 220 T N 2.104 116.623 114.554 -0.058 0.000 2.635 220 T HA -0.135 4.405 4.350 0.318 0.000 0.267 220 T C 1.988 176.618 174.700 -0.117 0.000 1.040 220 T CA 2.324 64.371 62.100 -0.088 0.000 1.156 220 T CB -0.706 68.110 68.868 -0.087 0.000 0.863 220 T HN 0.748 nan 8.240 nan 0.000 0.430 221 T N 1.158 115.635 114.554 -0.128 0.000 2.759 221 T HA -0.057 4.484 4.350 0.318 0.000 0.269 221 T C 2.246 176.929 174.700 -0.027 0.000 1.042 221 T CA 1.299 63.328 62.100 -0.120 0.000 1.140 221 T CB -0.847 67.905 68.868 -0.193 0.000 0.864 221 T HN 0.564 nan 8.240 nan 0.000 0.455 222 G N 0.713 109.506 108.800 -0.012 0.000 2.408 222 G HA2 -0.128 4.023 3.960 0.318 0.000 0.217 222 G HA3 -0.128 4.023 3.960 0.318 0.000 0.217 222 G C 1.653 176.530 174.900 -0.039 0.000 1.150 222 G CA 0.561 45.681 45.100 0.035 0.000 0.776 222 G HN 0.447 nan 8.290 nan 0.000 0.542 223 V N 0.581 120.414 119.914 -0.134 0.000 2.515 223 V HA -0.069 4.242 4.120 0.318 0.000 0.250 223 V C 2.609 178.363 176.094 -0.567 0.000 1.058 223 V CA 1.305 63.409 62.300 -0.326 0.000 1.064 223 V CB -0.149 31.478 31.823 -0.327 0.000 0.675 223 V HN 0.351 nan 8.190 nan 0.000 0.461 224 L N 0.035 121.057 121.223 -0.334 0.000 2.201 224 L HA -0.083 4.448 4.340 0.318 0.000 0.212 224 L C 2.503 179.302 176.870 -0.118 0.000 1.105 224 L CA 1.794 56.504 54.840 -0.217 0.000 0.775 224 L CB -0.500 41.496 42.059 -0.105 0.000 0.913 224 L HN 0.182 nan 8.230 nan 0.000 0.440 225 R N -1.005 119.445 120.500 -0.085 0.000 2.100 225 R HA 0.026 4.556 4.340 0.318 0.000 0.220 225 R C 2.203 178.503 176.300 0.000 0.000 1.091 225 R CA 1.076 57.133 56.100 -0.071 0.000 0.986 225 R CB -0.453 29.863 30.300 0.028 0.000 0.888 225 R HN 0.373 nan 8.270 nan 0.000 0.444 226 L N 0.114 121.383 121.223 0.077 0.000 2.127 226 L HA -0.208 4.322 4.340 0.318 0.000 0.211 226 L C 2.163 179.183 176.870 0.251 0.000 1.089 226 L CA 1.233 56.188 54.840 0.192 0.000 0.757 226 L CB -0.416 41.691 42.059 0.080 0.000 0.899 226 L HN 0.154 nan 8.230 nan 0.000 0.434 227 Y N 0.142 120.467 120.300 0.041 0.000 2.263 227 Y HA -0.174 4.564 4.550 0.313 0.000 0.292 227 Y C 2.669 178.552 175.900 -0.027 0.000 1.130 227 Y CA 0.621 58.725 58.100 0.005 0.000 1.179 227 Y CB -0.772 37.680 38.460 -0.013 0.000 0.998 227 Y HN 0.278 nan 8.280 nan 0.000 0.532 228 Q N -1.289 118.548 119.800 0.063 0.000 2.224 228 Q HA -0.128 4.402 4.340 0.318 0.000 0.203 228 Q C 1.884 177.801 176.000 -0.138 0.000 0.970 228 Q CA 1.172 56.917 55.803 -0.097 0.000 0.865 228 Q CB -0.287 28.315 28.738 -0.227 0.000 0.922 228 Q HN 0.331 nan 8.270 nan 0.000 0.445 229 F N 0.458 120.420 119.950 0.020 0.000 2.128 229 F HA -0.086 4.633 4.527 0.319 0.000 0.295 229 F C 2.366 178.158 175.800 -0.014 0.000 1.100 229 F CA 1.065 59.056 58.000 -0.015 0.000 1.260 229 F CB -0.758 38.217 39.000 -0.041 0.000 1.009 229 F HN 0.035 nan 8.300 nan 0.000 0.476 230 A N -0.322 122.616 122.820 0.198 0.000 2.015 230 A HA 0.051 4.562 4.320 0.318 0.000 0.219 230 A C 2.322 179.937 177.584 0.051 0.000 1.163 230 A CA 1.527 53.627 52.037 0.104 0.000 0.646 230 A CB -1.116 17.944 19.000 0.100 0.000 0.806 230 A HN 0.288 nan 8.150 nan 0.000 0.448 231 A N -0.496 122.349 122.820 0.040 0.000 1.970 231 A HA 0.377 4.887 4.320 0.318 0.000 0.216 231 A C 2.324 179.911 177.584 0.005 0.000 1.170 231 A CA 1.401 53.440 52.037 0.004 0.000 0.645 231 A CB -0.635 18.358 19.000 -0.012 0.000 0.816 231 A HN 0.916 nan 8.150 nan 0.000 0.447 232 A N -1.671 121.160 122.820 0.018 0.000 2.067 232 A HA 0.385 4.896 4.320 0.318 0.000 0.217 232 A C 1.806 179.409 177.584 0.032 0.000 1.156 232 A CA 1.418 53.467 52.037 0.020 0.000 0.683 232 A CB -0.705 18.309 19.000 0.024 0.000 0.808 232 A HN 1.830 nan 8.150 nan 0.000 0.455 233 G N -0.961 107.864 108.800 0.042 0.000 2.134 233 G HA2 -0.164 3.986 3.960 0.318 0.000 0.209 233 G HA3 -0.164 3.986 3.960 0.318 0.000 0.209 233 G C 0.058 174.970 174.900 0.020 0.000 0.993 233 G CA 0.396 45.512 45.100 0.026 0.000 0.669 233 G HN 0.447 nan 8.290 nan 0.000 0.519 234 D N -0.394 120.036 120.400 0.051 0.000 2.398 234 D HA 0.143 4.973 4.640 0.318 0.000 0.210 234 D C 0.986 177.212 176.300 -0.125 0.000 1.094 234 D CA -0.383 53.617 54.000 0.000 0.000 0.839 234 D CB 0.647 41.504 40.800 0.094 0.000 0.963 234 D HN 0.351 nan 8.370 nan 0.000 0.506 235 L N 1.843 123.024 121.223 -0.071 0.000 2.565 235 L HA 0.158 4.689 4.340 0.318 0.000 0.275 235 L C 1.024 177.724 176.870 -0.284 0.000 1.137 235 L CA -0.107 54.616 54.840 -0.196 0.000 0.915 235 L CB 0.316 42.354 42.059 -0.034 0.000 1.232 235 L HN -0.084 nan 8.230 nan 0.000 0.473 236 A N 5.799 128.265 122.820 -0.590 0.000 2.308 236 A HA 0.358 4.868 4.320 0.318 0.000 0.217 236 A C -0.121 177.272 177.584 -0.319 0.000 1.216 236 A CA 0.168 51.930 52.037 -0.459 0.000 0.864 236 A CB -0.501 18.223 19.000 -0.461 0.000 0.902 236 A HN 0.661 nan 8.150 nan 0.000 0.499 237 F N -4.720 115.233 119.950 0.004 0.000 2.693 237 F HA 0.633 5.345 4.527 0.308 0.000 0.309 237 F C -3.443 172.389 175.800 0.054 0.000 1.129 237 F CA -3.573 54.441 58.000 0.023 0.000 0.948 237 F CB 0.083 39.087 39.000 0.005 0.000 1.315 237 F HN -0.308 nan 8.300 nan 0.000 0.447 238 P HA 0.379 nan 4.420 nan 0.000 0.268 238 P C -1.021 176.431 177.300 0.253 0.000 1.208 238 P CA 0.178 63.434 63.100 0.261 0.000 0.777 238 P CB 0.700 32.485 31.700 0.141 0.000 0.875 239 A N 2.780 125.759 122.820 0.265 0.000 2.455 239 A HA 0.646 5.157 4.320 0.318 0.000 0.300 239 A C -0.882 176.830 177.584 0.214 0.000 1.040 239 A CA -0.623 51.541 52.037 0.210 0.000 0.697 239 A CB 0.830 19.956 19.000 0.210 0.000 1.265 239 A HN 0.411 nan 8.150 nan 0.000 0.407 240 I N 2.235 122.877 120.570 0.120 0.000 2.336 240 I HA 0.206 4.567 4.170 0.318 0.000 0.292 240 I C 0.043 176.229 176.117 0.115 0.000 0.991 240 I CA -0.712 60.666 61.300 0.130 0.000 1.227 240 I CB 1.613 39.646 38.000 0.056 0.000 1.366 240 I HN 0.674 nan 8.210 nan 0.000 0.466 241 N N 6.373 125.154 118.700 0.135 0.000 2.508 241 N HA 0.086 5.016 4.740 0.318 0.000 0.253 241 N C 0.553 176.115 175.510 0.085 0.000 1.145 241 N CA 0.053 53.160 53.050 0.096 0.000 0.973 241 N CB 0.979 39.539 38.487 0.122 0.000 1.305 241 N HN 0.418 nan 8.380 nan 0.000 0.506 242 V N 3.182 123.137 119.914 0.069 0.000 2.591 242 V HA -0.142 4.168 4.120 0.318 0.000 0.249 242 V C 2.149 178.275 176.094 0.055 0.000 1.053 242 V CA 1.069 63.409 62.300 0.067 0.000 1.068 242 V CB -0.811 31.056 31.823 0.075 0.000 0.689 242 V HN 0.622 nan 8.190 nan 0.000 0.462 243 N N 1.076 119.801 118.700 0.042 0.000 2.091 243 N HA -0.206 4.724 4.740 0.318 0.000 0.193 243 N C 1.168 176.695 175.510 0.029 0.000 1.021 243 N CA 1.784 54.850 53.050 0.026 0.000 0.862 243 N CB -0.140 38.347 38.487 0.001 0.000 1.018 243 N HN 0.439 nan 8.380 nan 0.000 0.429 244 D N -0.259 120.167 120.400 0.044 0.000 2.395 244 D HA 0.097 4.928 4.640 0.318 0.000 0.226 244 D C -0.336 176.003 176.300 0.064 0.000 1.146 244 D CA 0.091 54.124 54.000 0.054 0.000 0.830 244 D CB 0.059 40.903 40.800 0.074 0.000 0.958 244 D HN 0.135 nan 8.370 nan 0.000 0.501 245 S N -0.011 115.723 115.700 0.056 0.000 2.572 245 S HA 0.050 4.710 4.470 0.318 0.000 0.279 245 S C 1.972 176.599 174.600 0.044 0.000 1.341 245 S CA -0.632 57.597 58.200 0.049 0.000 1.043 245 S CB 2.111 65.333 63.200 0.037 0.000 0.887 245 S HN -0.040 nan 8.310 nan 0.000 0.516 246 V N 2.607 122.539 119.914 0.030 0.000 2.343 246 V HA -0.171 4.139 4.120 0.318 0.000 0.247 246 V C 2.611 178.775 176.094 0.117 0.000 1.051 246 V CA 2.175 64.480 62.300 0.009 0.000 1.036 246 V CB -1.469 30.247 31.823 -0.178 0.000 0.654 246 V HN 1.077 nan 8.190 nan 0.000 0.451 247 T N -2.972 111.620 114.554 0.064 0.000 3.085 247 T HA -0.047 4.493 4.350 0.318 0.000 0.263 247 T C 1.714 176.452 174.700 0.063 0.000 1.127 247 T CA 0.737 62.849 62.100 0.020 0.000 1.103 247 T CB 0.105 68.857 68.868 -0.195 0.000 0.921 247 T HN 0.294 nan 8.240 nan 0.000 0.510 248 K N 1.973 122.411 120.400 0.064 0.000 2.057 248 K HA 0.044 4.554 4.320 0.318 0.000 0.209 248 K C 2.751 179.385 176.600 0.057 0.000 1.028 248 K CA 1.511 57.823 56.287 0.041 0.000 0.950 248 K CB -0.681 31.835 32.500 0.027 0.000 0.784 248 K HN 0.459 nan 8.250 nan 0.000 0.448 249 S N 1.270 116.987 115.700 0.029 0.000 2.399 249 S HA -0.054 4.607 4.470 0.318 0.000 0.231 249 S C 1.475 176.012 174.600 -0.105 0.000 1.022 249 S CA 0.949 59.133 58.200 -0.028 0.000 0.983 249 S CB -0.096 63.090 63.200 -0.024 0.000 0.803 249 S HN 0.186 nan 8.310 nan 0.000 0.480 250 K N -0.198 120.138 120.400 -0.106 0.000 2.387 250 K HA 0.336 4.846 4.320 0.318 0.000 0.198 250 K C 0.058 176.225 176.600 -0.720 0.000 1.022 250 K CA 0.108 56.172 56.287 -0.371 0.000 1.128 250 K CB -0.010 32.283 32.500 -0.345 0.000 0.853 250 K HN 0.522 nan 8.250 nan 0.000 0.523 251 F N -0.389 119.443 119.950 -0.196 0.000 2.455 251 F HA 0.034 4.752 4.527 0.317 0.000 0.278 251 F C 2.004 177.733 175.800 -0.119 0.000 0.887 251 F CA -0.066 57.888 58.000 -0.077 0.000 1.104 251 F CB 0.110 39.120 39.000 0.017 0.000 0.949 251 F HN -0.075 nan 8.300 nan 0.000 0.750 252 D N 0.614 121.030 120.400 0.027 0.000 2.110 252 D HA -0.111 4.719 4.640 0.318 0.000 0.202 252 D C 1.398 177.581 176.300 -0.194 0.000 0.975 252 D CA 1.549 55.478 54.000 -0.118 0.000 0.839 252 D CB -0.224 40.549 40.800 -0.044 0.000 0.996 252 D HN 0.049 nan 8.370 nan 0.000 0.464 253 N N 0.530 119.160 118.700 -0.115 0.000 2.120 253 N HA -0.121 4.810 4.740 0.318 0.000 0.188 253 N C 1.640 177.038 175.510 -0.187 0.000 1.024 253 N CA 1.022 54.008 53.050 -0.107 0.000 0.852 253 N CB -0.114 38.315 38.487 -0.097 0.000 1.003 253 N HN 0.308 nan 8.380 nan 0.000 0.424 254 K N -0.492 119.724 120.400 -0.306 0.000 2.054 254 K HA 0.001 4.511 4.320 0.318 0.000 0.207 254 K C 1.225 177.646 176.600 -0.298 0.000 1.031 254 K CA 0.742 56.792 56.287 -0.395 0.000 0.952 254 K CB -0.151 31.946 32.500 -0.671 0.000 0.775 254 K HN 0.081 nan 8.250 nan 0.000 0.447 255 Y N 0.300 120.505 120.300 -0.159 0.000 2.519 255 Y HA 0.143 4.884 4.550 0.317 0.000 0.287 255 Y C 2.202 178.013 175.900 -0.148 0.000 1.128 255 Y CA 0.654 58.691 58.100 -0.106 0.000 1.282 255 Y CB -0.727 37.706 38.460 -0.045 0.000 1.027 255 Y HN 0.271 nan 8.280 nan 0.000 0.551 256 G N -0.406 108.246 108.800 -0.247 0.000 2.402 256 G HA2 -0.204 3.947 3.960 0.318 0.000 0.216 256 G HA3 -0.204 3.947 3.960 0.318 0.000 0.216 256 G C 1.690 176.368 174.900 -0.370 0.000 1.162 256 G CA 1.532 46.225 45.100 -0.678 0.000 0.777 256 G HN 0.335 nan 8.290 nan 0.000 0.539 257 T N 0.372 114.779 114.554 -0.245 0.000 2.746 257 T HA -0.091 4.450 4.350 0.318 0.000 0.267 257 T C 2.269 177.009 174.700 0.068 0.000 1.039 257 T CA 1.149 63.283 62.100 0.057 0.000 1.142 257 T CB -0.151 68.744 68.868 0.046 0.000 0.866 257 T HN 0.313 nan 8.240 nan 0.000 0.444 258 R N 0.117 120.650 120.500 0.055 0.000 2.117 258 R HA -0.214 4.317 4.340 0.318 0.000 0.243 258 R C 2.406 178.766 176.300 0.100 0.000 1.143 258 R CA 1.527 57.678 56.100 0.084 0.000 0.968 258 R CB -0.304 30.081 30.300 0.141 0.000 0.863 258 R HN 0.521 nan 8.270 nan 0.000 0.444 259 H N -0.603 118.495 119.070 0.048 0.000 2.355 259 H HA 0.001 4.748 4.556 0.318 0.000 0.303 259 H C 1.909 177.282 175.328 0.076 0.000 1.061 259 H CA 1.856 57.939 56.048 0.058 0.000 1.368 259 H CB 0.193 29.991 29.762 0.061 0.000 1.412 259 H HN 0.385 nan 8.280 nan 0.000 0.523 260 S N 0.277 116.143 115.700 0.276 0.000 2.503 260 S HA -0.040 4.621 4.470 0.318 0.000 0.217 260 S C 2.121 176.789 174.600 0.113 0.000 0.999 260 S CA 0.273 58.608 58.200 0.225 0.000 0.914 260 S CB -0.222 63.145 63.200 0.278 0.000 0.782 260 S HN 0.240 nan 8.310 nan 0.000 0.520 261 L N 2.013 123.288 121.223 0.087 0.000 2.042 261 L HA 0.102 4.633 4.340 0.318 0.000 0.210 261 L C 2.102 178.986 176.870 0.023 0.000 1.076 261 L CA 1.647 56.513 54.840 0.044 0.000 0.749 261 L CB -0.631 41.447 42.059 0.030 0.000 0.893 261 L HN 0.335 nan 8.230 nan 0.000 0.432 262 I N -0.477 120.097 120.570 0.005 0.000 2.226 262 I HA -0.271 4.090 4.170 0.318 0.000 0.245 262 I C 2.236 178.346 176.117 -0.012 0.000 1.100 262 I CA 1.589 62.878 61.300 -0.018 0.000 1.374 262 I CB -0.507 37.458 38.000 -0.058 0.000 1.057 262 I HN 0.366 nan 8.210 nan 0.000 0.413 263 D N 0.945 121.342 120.400 -0.004 0.000 2.123 263 D HA -0.143 4.687 4.640 0.318 0.000 0.196 263 D C 2.122 178.439 176.300 0.028 0.000 0.992 263 D CA 1.650 55.663 54.000 0.020 0.000 0.833 263 D CB -0.272 40.568 40.800 0.067 0.000 0.954 263 D HN 0.307 nan 8.370 nan 0.000 0.455 264 G N 0.617 109.435 108.800 0.031 0.000 2.433 264 G HA2 -0.213 3.938 3.960 0.318 0.000 0.216 264 G HA3 -0.213 3.938 3.960 0.318 0.000 0.216 264 G C 1.977 176.888 174.900 0.020 0.000 1.186 264 G CA 0.761 45.876 45.100 0.025 0.000 0.779 264 G HN 0.365 nan 8.290 nan 0.000 0.543 265 I N 1.085 121.666 120.570 0.018 0.000 2.286 265 I HA -0.180 4.181 4.170 0.318 0.000 0.248 265 I C 2.471 178.597 176.117 0.015 0.000 1.115 265 I CA 0.874 62.184 61.300 0.017 0.000 1.392 265 I CB -0.173 37.836 38.000 0.014 0.000 1.065 265 I HN 0.076 nan 8.210 nan 0.000 0.418 266 N N 0.816 119.522 118.700 0.011 0.000 2.188 266 N HA -0.114 4.816 4.740 0.318 0.000 0.184 266 N C 1.929 177.447 175.510 0.013 0.000 1.018 266 N CA 1.135 54.191 53.050 0.010 0.000 0.858 266 N CB -0.266 38.224 38.487 0.004 0.000 0.989 266 N HN 0.299 nan 8.380 nan 0.000 0.426 267 R N -0.096 120.413 120.500 0.016 0.000 2.148 267 R HA 0.049 4.579 4.340 0.318 0.000 0.223 267 R C 2.172 178.479 176.300 0.012 0.000 1.088 267 R CA 1.135 57.245 56.100 0.016 0.000 0.985 267 R CB -0.301 30.012 30.300 0.022 0.000 0.880 267 R HN 0.224 nan 8.270 nan 0.000 0.451 268 G N -0.145 108.662 108.800 0.012 0.000 2.408 268 G HA2 -0.135 4.016 3.960 0.318 0.000 0.213 268 G HA3 -0.135 4.016 3.960 0.318 0.000 0.213 268 G C 0.652 175.561 174.900 0.015 0.000 1.177 268 G CA 0.913 46.019 45.100 0.010 0.000 0.802 268 G HN 0.416 nan 8.290 nan 0.000 0.533 269 T N -2.688 111.878 114.554 0.020 0.000 2.940 269 T HA 0.546 5.086 4.350 0.318 0.000 0.288 269 T C -0.969 173.744 174.700 0.021 0.000 1.045 269 T CA -0.678 61.438 62.100 0.027 0.000 1.018 269 T CB 2.431 71.321 68.868 0.035 0.000 1.151 269 T HN -0.174 nan 8.240 nan 0.000 0.529 270 D N 0.953 121.366 120.400 0.022 0.000 2.894 270 D HA 0.479 5.309 4.640 0.318 0.000 0.273 270 D C -0.045 176.265 176.300 0.017 0.000 1.328 270 D CA -0.230 53.779 54.000 0.016 0.000 0.845 270 D CB 0.147 40.954 40.800 0.011 0.000 1.072 270 D HN 0.817 nan 8.370 nan 0.000 0.484 271 A N 0.754 123.587 122.820 0.021 0.000 2.289 271 A HA 0.421 4.932 4.320 0.318 0.000 0.298 271 A C 0.103 177.698 177.584 0.017 0.000 1.208 271 A CA -0.600 51.451 52.037 0.023 0.000 0.845 271 A CB 0.572 19.592 19.000 0.033 0.000 1.125 271 A HN 0.297 nan 8.150 nan 0.000 0.517 272 L N 2.936 124.168 121.223 0.015 0.000 2.514 272 L HA 0.123 4.654 4.340 0.318 0.000 0.280 272 L C 0.838 177.717 176.870 0.014 0.000 1.223 272 L CA 0.688 55.535 54.840 0.012 0.000 0.864 272 L CB 0.086 42.151 42.059 0.011 0.000 1.118 272 L HN 0.764 nan 8.230 nan 0.000 0.494 273 I N 2.523 123.100 120.570 0.012 0.000 2.685 273 I HA 0.146 4.507 4.170 0.318 0.000 0.251 273 I C 1.353 177.480 176.117 0.015 0.000 1.102 273 I CA 0.482 61.790 61.300 0.013 0.000 1.442 273 I CB -0.543 37.462 38.000 0.009 0.000 1.194 273 I HN 0.822 nan 8.210 nan 0.000 0.448 274 G N 0.302 109.111 108.800 0.015 0.000 2.287 274 G HA2 0.258 4.408 3.960 0.318 0.000 0.235 274 G HA3 0.258 4.408 3.960 0.318 0.000 0.235 274 G C 1.077 175.988 174.900 0.018 0.000 1.258 274 G CA 0.437 45.548 45.100 0.018 0.000 0.884 274 G HN 0.715 nan 8.290 nan 0.000 0.518 275 G N 1.227 110.040 108.800 0.022 0.000 2.225 275 G HA2 -0.259 3.891 3.960 0.318 0.000 0.254 275 G HA3 -0.259 3.891 3.960 0.318 0.000 0.254 275 G C 0.658 175.570 174.900 0.020 0.000 0.988 275 G CA 0.755 45.867 45.100 0.020 0.000 0.625 275 G HN 0.778 nan 8.290 nan 0.000 0.527 276 K N 0.628 121.040 120.400 0.020 0.000 2.118 276 K HA 0.438 4.949 4.320 0.318 0.000 0.264 276 K C 0.241 176.853 176.600 0.020 0.000 1.000 276 K CA -0.698 55.601 56.287 0.020 0.000 0.929 276 K CB 1.338 33.850 32.500 0.019 0.000 1.021 276 K HN 0.272 nan 8.250 nan 0.000 0.463 277 K N 1.641 122.052 120.400 0.018 0.000 2.316 277 K HA 0.183 4.693 4.320 0.318 0.000 0.289 277 K C -0.891 175.713 176.600 0.007 0.000 1.070 277 K CA -0.313 55.982 56.287 0.014 0.000 0.928 277 K CB 0.534 33.042 32.500 0.014 0.000 1.039 277 K HN 0.200 nan 8.250 nan 0.000 0.480 278 V N 6.000 125.912 119.914 -0.003 0.000 2.417 278 V HA 0.303 4.614 4.120 0.318 0.000 0.291 278 V C -0.662 175.409 176.094 -0.038 0.000 1.024 278 V CA -1.040 61.249 62.300 -0.019 0.000 0.861 278 V CB 1.389 33.195 31.823 -0.028 0.000 0.985 278 V HN 0.619 nan 8.190 nan 0.000 0.436 279 L N 6.439 127.640 121.223 -0.036 0.000 2.272 279 L HA 0.586 5.117 4.340 0.318 0.000 0.289 279 L C -0.599 176.239 176.870 -0.053 0.000 1.032 279 L CA 0.046 54.857 54.840 -0.048 0.000 0.810 279 L CB 1.018 43.052 42.059 -0.041 0.000 1.205 279 L HN 0.407 nan 8.230 nan 0.000 0.422 280 I N 4.899 125.427 120.570 -0.070 0.000 2.330 280 I HA 0.238 4.599 4.170 0.318 0.000 0.289 280 I C -0.420 175.678 176.117 -0.032 0.000 1.001 280 I CA -0.355 60.913 61.300 -0.053 0.000 1.193 280 I CB 0.986 38.944 38.000 -0.070 0.000 1.345 280 I HN 0.585 nan 8.210 nan 0.000 0.461 281 C N 4.996 124.282 119.300 -0.024 0.000 2.347 281 C HA 0.767 5.418 4.460 0.318 0.000 0.353 281 C C 0.915 175.907 174.990 0.004 0.000 1.273 281 C CA -0.398 58.610 59.018 -0.016 0.000 1.861 281 C CB -0.032 27.691 27.740 -0.028 0.000 2.420 281 C HN 1.071 nan 8.230 nan 0.000 0.542 282 G N 1.887 110.701 108.800 0.023 0.000 2.722 282 G HA2 -0.138 4.012 3.960 0.318 0.000 0.686 282 G HA3 -0.138 4.012 3.960 0.318 0.000 0.686 282 G C -1.132 173.828 174.900 0.101 0.000 1.282 282 G CA -0.428 44.698 45.100 0.043 0.000 0.817 282 G HN 1.078 nan 8.290 nan 0.000 0.605 283 Y N 2.224 122.499 120.300 -0.041 0.000 2.685 283 Y HA 0.509 5.250 4.550 0.318 0.000 0.284 283 Y C 1.184 177.064 175.900 -0.034 0.000 0.944 283 Y CA 0.539 58.616 58.100 -0.038 0.000 1.107 283 Y CB -0.010 38.439 38.460 -0.018 0.000 1.188 283 Y HN 1.006 nan 8.280 nan 0.000 0.635 284 G N 0.187 108.930 108.800 -0.094 0.000 2.735 284 G HA2 0.002 4.153 3.960 0.318 0.000 0.192 284 G HA3 0.002 4.153 3.960 0.318 0.000 0.192 284 G C 0.615 175.374 174.900 -0.235 0.000 1.547 284 G CA 0.304 45.331 45.100 -0.122 0.000 1.080 284 G HN 0.281 nan 8.290 nan 0.000 0.569 285 D N -0.956 119.330 120.400 -0.190 0.000 2.149 285 D HA -0.079 4.751 4.640 0.318 0.000 0.201 285 D C 2.734 178.898 176.300 -0.228 0.000 0.972 285 D CA 0.634 54.494 54.000 -0.234 0.000 0.835 285 D CB -0.087 40.595 40.800 -0.195 0.000 0.966 285 D HN 0.045 nan 8.370 nan 0.000 0.476 286 V N 1.281 121.100 119.914 -0.159 0.000 2.453 286 V HA -0.111 4.199 4.120 0.318 0.000 0.247 286 V C 2.582 178.592 176.094 -0.141 0.000 1.048 286 V CA 1.884 64.114 62.300 -0.118 0.000 1.049 286 V CB -0.827 30.959 31.823 -0.062 0.000 0.672 286 V HN 0.204 nan 8.190 nan 0.000 0.457 287 G N -0.224 108.476 108.800 -0.166 0.000 2.440 287 G HA2 -0.268 3.882 3.960 0.318 0.000 0.218 287 G HA3 -0.268 3.882 3.960 0.318 0.000 0.218 287 G C 1.670 176.371 174.900 -0.332 0.000 1.154 287 G CA 0.955 45.954 45.100 -0.169 0.000 0.767 287 G HN 0.453 nan 8.290 nan 0.000 0.552 288 K N 0.007 120.046 120.400 -0.600 0.000 2.032 288 K HA -0.055 4.455 4.320 0.318 0.000 0.209 288 K C 2.767 179.195 176.600 -0.287 0.000 1.048 288 K CA 1.136 56.995 56.287 -0.713 0.000 0.927 288 K CB -0.452 31.662 32.500 -0.643 0.000 0.712 288 K HN 0.277 nan 8.250 nan 0.000 0.441 289 G N 0.778 109.447 108.800 -0.219 0.000 2.402 289 G HA2 -0.247 3.903 3.960 0.318 0.000 0.216 289 G HA3 -0.247 3.903 3.960 0.318 0.000 0.216 289 G C 1.636 176.505 174.900 -0.051 0.000 1.162 289 G CA 0.977 46.014 45.100 -0.105 0.000 0.777 289 G HN 0.335 nan 8.290 nan 0.000 0.539 290 C N 1.044 120.304 119.300 -0.066 0.000 2.403 290 C HA 0.073 4.723 4.460 0.318 0.000 0.277 290 C C 3.501 178.461 174.990 -0.049 0.000 1.248 290 C CA 0.998 59.991 59.018 -0.042 0.000 1.762 290 C CB -1.006 26.706 27.740 -0.047 0.000 2.014 290 C HN 0.559 nan 8.230 nan 0.000 0.486 291 A N -0.286 122.491 122.820 -0.073 0.000 1.898 291 A HA -0.128 4.382 4.320 0.318 0.000 0.214 291 A C 2.179 179.758 177.584 -0.008 0.000 1.183 291 A CA 1.341 53.293 52.037 -0.143 0.000 0.622 291 A CB -0.590 18.287 19.000 -0.205 0.000 0.824 291 A HN 0.660 nan 8.150 nan 0.000 0.444 292 E N 0.038 120.288 120.200 0.083 0.000 2.106 292 E HA -0.125 4.416 4.350 0.318 0.000 0.192 292 E C 2.165 178.824 176.600 0.098 0.000 0.984 292 E CA 0.904 57.393 56.400 0.148 0.000 0.806 292 E CB -0.183 29.600 29.700 0.139 0.000 0.750 292 E HN 0.531 nan 8.360 nan 0.000 0.458 293 A N 1.080 123.933 122.820 0.056 0.000 1.902 293 A HA -0.195 4.316 4.320 0.318 0.000 0.217 293 A C 2.170 179.771 177.584 0.029 0.000 1.181 293 A CA 1.541 53.599 52.037 0.035 0.000 0.623 293 A CB -0.377 18.633 19.000 0.017 0.000 0.818 293 A HN 0.244 nan 8.150 nan 0.000 0.443 294 M N -0.593 119.019 119.600 0.019 0.000 2.132 294 M HA -0.106 4.564 4.480 0.318 0.000 0.263 294 M C 2.157 178.487 176.300 0.050 0.000 1.065 294 M CA 1.786 57.095 55.300 0.015 0.000 1.122 294 M CB -1.066 31.521 32.600 -0.021 0.000 1.365 294 M HN 0.517 nan 8.290 nan 0.000 0.411 295 K N 0.127 120.586 120.400 0.098 0.000 2.063 295 K HA -0.133 4.378 4.320 0.318 0.000 0.208 295 K C 1.909 178.569 176.600 0.101 0.000 1.048 295 K CA 1.617 57.999 56.287 0.159 0.000 0.928 295 K CB -0.333 32.342 32.500 0.292 0.000 0.713 295 K HN 0.417 nan 8.250 nan 0.000 0.442 296 G N -0.091 108.758 108.800 0.081 0.000 2.534 296 G HA2 -0.168 3.983 3.960 0.318 0.000 0.217 296 G HA3 -0.168 3.983 3.960 0.318 0.000 0.217 296 G C 1.213 176.134 174.900 0.035 0.000 1.128 296 G CA 0.141 45.274 45.100 0.054 0.000 0.784 296 G HN 0.285 nan 8.290 nan 0.000 0.542 297 Q N -0.560 119.260 119.800 0.033 0.000 2.282 297 Q HA 0.191 4.721 4.340 0.318 0.000 0.206 297 Q C 1.426 177.442 176.000 0.026 0.000 0.878 297 Q CA 0.565 56.381 55.803 0.021 0.000 0.944 297 Q CB 1.010 29.755 28.738 0.013 0.000 1.100 297 Q HN 0.496 nan 8.270 nan 0.000 0.509 298 G N 1.079 109.902 108.800 0.039 0.000 2.140 298 G HA2 -0.217 3.934 3.960 0.318 0.000 0.211 298 G HA3 -0.217 3.934 3.960 0.318 0.000 0.211 298 G C 0.219 175.145 174.900 0.042 0.000 1.013 298 G CA 0.118 45.242 45.100 0.041 0.000 0.705 298 G HN 0.487 nan 8.290 nan 0.000 0.508 299 A N -0.126 122.722 122.820 0.046 0.000 2.332 299 A HA 0.745 5.256 4.320 0.318 0.000 0.258 299 A C 0.840 178.460 177.584 0.060 0.000 1.087 299 A CA -0.213 51.848 52.037 0.041 0.000 0.802 299 A CB 0.343 19.360 19.000 0.028 0.000 1.042 299 A HN 0.546 nan 8.150 nan 0.000 0.489 300 R N 1.263 121.793 120.500 0.049 0.000 2.408 300 R HA 0.366 4.897 4.340 0.318 0.000 0.308 300 R C -1.072 175.261 176.300 0.055 0.000 1.210 300 R CA -0.324 55.814 56.100 0.063 0.000 1.115 300 R CB 0.263 30.591 30.300 0.046 0.000 1.127 300 R HN 0.408 nan 8.270 nan 0.000 0.523 301 V N 1.789 121.754 119.914 0.086 0.000 2.567 301 V HA 0.294 4.604 4.120 0.318 0.000 0.289 301 V C 0.381 176.489 176.094 0.024 0.000 1.049 301 V CA -0.344 61.944 62.300 -0.021 0.000 0.969 301 V CB 1.670 33.337 31.823 -0.259 0.000 0.995 301 V HN 0.646 nan 8.190 nan 0.000 0.471 302 S N 2.015 117.678 115.700 -0.062 0.000 2.548 302 S HA 0.789 5.450 4.470 0.318 0.000 0.286 302 S C -0.565 173.976 174.600 -0.099 0.000 1.098 302 S CA -0.629 57.553 58.200 -0.030 0.000 0.930 302 S CB 2.102 65.296 63.200 -0.010 0.000 1.070 302 S HN 0.936 nan 8.310 nan 0.000 0.480 303 V N 0.054 119.918 119.914 -0.083 0.000 2.960 303 V HA 0.970 5.280 4.120 0.318 0.000 0.315 303 V C -0.173 175.891 176.094 -0.051 0.000 1.087 303 V CA -0.756 61.492 62.300 -0.086 0.000 0.982 303 V CB 1.535 33.282 31.823 -0.125 0.000 1.039 303 V HN 0.933 nan 8.190 nan 0.000 0.437 304 T N 0.359 114.894 114.554 -0.032 0.000 2.895 304 T HA 0.805 5.345 4.350 0.318 0.000 0.283 304 T C -0.614 174.085 174.700 -0.002 0.000 1.014 304 T CA -0.419 61.666 62.100 -0.025 0.000 1.037 304 T CB 1.804 70.651 68.868 -0.035 0.000 1.006 304 T HN 0.969 nan 8.240 nan 0.000 0.468 305 E N 1.238 121.437 120.200 -0.002 0.000 2.392 305 E HA 0.306 4.847 4.350 0.318 0.000 0.279 305 E C 0.649 177.251 176.600 0.004 0.000 0.964 305 E CA -0.585 55.823 56.400 0.014 0.000 0.777 305 E CB 2.144 31.860 29.700 0.028 0.000 1.249 305 E HN 0.829 nan 8.360 nan 0.000 0.449 306 I N -2.178 118.396 120.570 0.007 0.000 3.035 306 I HA 0.246 4.606 4.170 0.318 0.000 0.271 306 I C 0.768 176.888 176.117 0.006 0.000 1.190 306 I CA 0.231 61.533 61.300 0.003 0.000 1.472 306 I CB 0.347 38.347 38.000 0.001 0.000 1.116 306 I HN 0.088 nan 8.210 nan 0.000 0.443 307 D N 3.152 123.560 120.400 0.013 0.000 2.317 307 D HA 0.208 5.038 4.640 0.318 0.000 0.234 307 D C -1.568 174.741 176.300 0.015 0.000 1.112 307 D CA -2.483 51.526 54.000 0.015 0.000 0.840 307 D CB 1.879 42.692 40.800 0.022 0.000 1.078 307 D HN 0.011 nan 8.370 nan 0.000 0.486 308 P HA -0.094 nan 4.420 nan 0.000 0.220 308 P C 1.737 179.043 177.300 0.010 0.000 1.148 308 P CA 0.618 63.721 63.100 0.005 0.000 0.803 308 P CB 0.677 32.378 31.700 0.001 0.000 0.782 309 I N 0.576 121.156 120.570 0.017 0.000 2.133 309 I HA -0.218 4.143 4.170 0.318 0.000 0.238 309 I C 2.515 178.659 176.117 0.044 0.000 1.074 309 I CA 1.333 62.647 61.300 0.024 0.000 1.342 309 I CB -0.971 37.042 38.000 0.022 0.000 1.053 309 I HN -0.083 nan 8.210 nan 0.000 0.404 310 N N 1.072 119.811 118.700 0.065 0.000 2.137 310 N HA -0.217 4.714 4.740 0.318 0.000 0.190 310 N C 1.898 177.468 175.510 0.101 0.000 1.017 310 N CA 1.696 54.824 53.050 0.130 0.000 0.859 310 N CB -0.225 38.343 38.487 0.135 0.000 1.002 310 N HN 0.398 nan 8.380 nan 0.000 0.428 311 A N 1.186 124.025 122.820 0.031 0.000 1.930 311 A HA -0.082 4.429 4.320 0.318 0.000 0.217 311 A C 2.181 179.735 177.584 -0.049 0.000 1.175 311 A CA 0.791 52.809 52.037 -0.031 0.000 0.627 311 A CB -0.453 18.535 19.000 -0.021 0.000 0.815 311 A HN 0.186 nan 8.150 nan 0.000 0.443 312 L N -0.057 121.156 121.223 -0.017 0.000 2.109 312 L HA -0.129 4.401 4.340 0.318 0.000 0.207 312 L C 2.426 179.282 176.870 -0.022 0.000 1.086 312 L CA 1.905 56.733 54.840 -0.021 0.000 0.760 312 L CB -0.812 41.243 42.059 -0.007 0.000 0.910 312 L HN 0.495 nan 8.230 nan 0.000 0.437 313 Q N -0.457 119.352 119.800 0.014 0.000 2.014 313 Q HA -0.265 4.266 4.340 0.318 0.000 0.207 313 Q C 2.259 178.247 176.000 -0.020 0.000 0.993 313 Q CA 1.966 57.805 55.803 0.060 0.000 0.850 313 Q CB -0.556 28.299 28.738 0.196 0.000 0.916 313 Q HN 0.656 nan 8.270 nan 0.000 0.417 314 A N 1.333 123.986 122.820 -0.279 0.000 1.881 314 A HA -0.283 4.228 4.320 0.318 0.000 0.219 314 A C 2.148 179.623 177.584 -0.182 0.000 1.215 314 A CA 2.261 54.002 52.037 -0.492 0.000 0.648 314 A CB -0.812 17.787 19.000 -0.670 0.000 0.832 314 A HN 0.358 nan 8.150 nan 0.000 0.455 315 M N -1.383 118.135 119.600 -0.136 0.000 2.149 315 M HA -0.159 4.511 4.480 0.318 0.000 0.261 315 M C 2.157 178.376 176.300 -0.134 0.000 1.064 315 M CA 1.357 56.591 55.300 -0.109 0.000 1.102 315 M CB -0.458 32.100 32.600 -0.071 0.000 1.369 315 M HN 0.355 nan 8.290 nan 0.000 0.408 316 M N -0.222 119.315 119.600 -0.105 0.000 2.374 316 M HA -0.100 4.571 4.480 0.318 0.000 0.264 316 M C 1.229 177.445 176.300 -0.139 0.000 1.067 316 M CA 1.264 56.508 55.300 -0.093 0.000 1.103 316 M CB -0.871 31.702 32.600 -0.045 0.000 1.402 316 M HN 0.186 nan 8.290 nan 0.000 0.444 317 E N -0.333 119.742 120.200 -0.209 0.000 2.474 317 E HA 0.257 4.798 4.350 0.318 0.000 0.195 317 E C 1.069 177.196 176.600 -0.788 0.000 1.039 317 E CA 0.413 56.618 56.400 -0.325 0.000 0.881 317 E CB 0.252 29.882 29.700 -0.116 0.000 0.970 317 E HN 0.595 nan 8.360 nan 0.000 0.486 318 G N 1.345 109.742 108.800 -0.672 0.000 2.145 318 G HA2 -0.205 3.945 3.960 0.318 0.000 0.176 318 G HA3 -0.205 3.945 3.960 0.318 0.000 0.176 318 G C -0.394 174.150 174.900 -0.593 0.000 1.013 318 G CA -0.519 44.223 45.100 -0.597 0.000 0.689 318 G HN 0.084 nan 8.290 nan 0.000 0.506 319 F N 1.128 121.031 119.950 -0.079 0.000 2.493 319 F HA 0.512 5.230 4.527 0.317 0.000 0.329 319 F C 0.267 176.009 175.800 -0.097 0.000 1.126 319 F CA -2.092 55.854 58.000 -0.089 0.000 0.937 319 F CB 1.232 40.151 39.000 -0.135 0.000 1.146 319 F HN -0.128 nan 8.300 nan 0.000 0.442 320 D N 1.819 122.289 120.400 0.117 0.000 2.571 320 D HA 0.114 4.944 4.640 0.318 0.000 0.231 320 D C -0.269 176.045 176.300 0.023 0.000 1.133 320 D CA 0.498 54.525 54.000 0.043 0.000 0.862 320 D CB 1.001 41.822 40.800 0.034 0.000 1.179 320 D HN 0.129 nan 8.370 nan 0.000 0.474 321 V N 3.234 123.143 119.914 -0.009 0.000 2.370 321 V HA 0.468 4.778 4.120 0.318 0.000 0.279 321 V C 0.472 176.554 176.094 -0.021 0.000 1.029 321 V CA -0.496 61.788 62.300 -0.027 0.000 0.870 321 V CB 1.300 33.100 31.823 -0.039 0.000 0.984 321 V HN 0.425 nan 8.190 nan 0.000 0.451 322 V N 1.667 121.566 119.914 -0.024 0.000 3.206 322 V HA 0.843 5.154 4.120 0.318 0.000 0.305 322 V C -0.085 175.992 176.094 -0.028 0.000 1.257 322 V CA -0.582 61.705 62.300 -0.022 0.000 1.057 322 V CB 1.932 33.744 31.823 -0.018 0.000 1.075 322 V HN 0.786 nan 8.190 nan 0.000 0.443 323 T N -1.604 112.933 114.554 -0.028 0.000 2.862 323 T HA 0.549 5.089 4.350 0.318 0.000 0.276 323 T C 1.036 175.699 174.700 -0.062 0.000 0.974 323 T CA 0.114 62.190 62.100 -0.039 0.000 0.966 323 T CB 1.488 70.341 68.868 -0.026 0.000 1.072 323 T HN 0.717 nan 8.240 nan 0.000 0.538 324 V N 1.265 121.114 119.914 -0.108 0.000 2.295 324 V HA -0.130 4.181 4.120 0.318 0.000 0.246 324 V C 2.665 178.687 176.094 -0.120 0.000 1.049 324 V CA 2.093 64.285 62.300 -0.179 0.000 1.024 324 V CB -1.077 30.503 31.823 -0.405 0.000 0.648 324 V HN 0.903 nan 8.190 nan 0.000 0.447 325 E N -0.165 119.999 120.200 -0.059 0.000 2.268 325 E HA -0.171 4.370 4.350 0.318 0.000 0.195 325 E C 2.091 178.699 176.600 0.012 0.000 0.995 325 E CA 0.830 57.249 56.400 0.031 0.000 0.836 325 E CB -0.178 29.573 29.700 0.085 0.000 0.763 325 E HN 0.663 nan 8.360 nan 0.000 0.491 326 E N -0.336 119.860 120.200 -0.007 0.000 2.158 326 E HA 0.013 4.554 4.350 0.318 0.000 0.191 326 E C 1.534 178.129 176.600 -0.008 0.000 0.982 326 E CA 0.891 57.287 56.400 -0.006 0.000 0.823 326 E CB 0.137 29.831 29.700 -0.010 0.000 0.766 326 E HN 0.264 nan 8.360 nan 0.000 0.468 327 A N 0.106 122.915 122.820 -0.018 0.000 2.324 327 A HA 0.123 4.634 4.320 0.318 0.000 0.220 327 A C 1.781 179.356 177.584 -0.015 0.000 1.209 327 A CA -0.261 51.766 52.037 -0.017 0.000 0.918 327 A CB 0.104 19.088 19.000 -0.025 0.000 0.959 327 A HN 0.132 nan 8.150 nan 0.000 0.507 328 I N 0.712 121.271 120.570 -0.017 0.000 2.099 328 I HA -0.144 4.216 4.170 0.318 0.000 0.239 328 I C 2.237 178.358 176.117 0.007 0.000 1.066 328 I CA 2.101 63.395 61.300 -0.009 0.000 1.324 328 I CB -0.355 37.645 38.000 -0.001 0.000 1.037 328 I HN 0.233 nan 8.210 nan 0.000 0.401 329 G N -0.993 107.813 108.800 0.011 0.000 2.679 329 G HA2 -0.147 4.003 3.960 0.318 0.000 0.212 329 G HA3 -0.147 4.003 3.960 0.318 0.000 0.212 329 G C 0.893 175.802 174.900 0.014 0.000 1.137 329 G CA 0.894 46.002 45.100 0.012 0.000 0.787 329 G HN 0.432 nan 8.290 nan 0.000 0.534 330 D N -0.156 120.251 120.400 0.011 0.000 2.449 330 D HA 0.265 5.096 4.640 0.318 0.000 0.210 330 D C 1.359 177.668 176.300 0.015 0.000 1.094 330 D CA 0.015 54.023 54.000 0.013 0.000 0.846 330 D CB 0.388 41.194 40.800 0.010 0.000 1.003 330 D HN 0.243 nan 8.370 nan 0.000 0.504 331 A N 1.051 123.878 122.820 0.011 0.000 2.440 331 A HA 0.171 4.682 4.320 0.318 0.000 0.251 331 A C 0.741 178.337 177.584 0.020 0.000 1.089 331 A CA -0.094 51.949 52.037 0.010 0.000 0.779 331 A CB 0.526 19.526 19.000 -0.001 0.000 1.022 331 A HN -0.118 nan 8.150 nan 0.000 0.492 332 D N 1.038 121.451 120.400 0.022 0.000 2.277 332 D HA 0.142 4.972 4.640 0.318 0.000 0.209 332 D C 0.144 176.463 176.300 0.032 0.000 0.970 332 D CA 1.291 55.310 54.000 0.032 0.000 0.874 332 D CB 0.263 41.080 40.800 0.030 0.000 0.982 332 D HN 0.552 nan 8.370 nan 0.000 0.504 333 I N 0.969 121.551 120.570 0.020 0.000 2.534 333 I HA 0.233 4.593 4.170 0.318 0.000 0.288 333 I C -1.037 175.083 176.117 0.005 0.000 1.077 333 I CA -0.759 60.551 61.300 0.017 0.000 1.051 333 I CB 3.170 41.178 38.000 0.013 0.000 1.234 333 I HN -0.402 nan 8.210 nan 0.000 0.425 334 V N 6.754 126.672 119.914 0.007 0.000 2.540 334 V HA 0.553 4.864 4.120 0.318 0.000 0.302 334 V C -0.534 175.558 176.094 -0.003 0.000 1.035 334 V CA -0.627 61.670 62.300 -0.005 0.000 0.873 334 V CB 2.500 34.320 31.823 -0.005 0.000 0.992 334 V HN 0.426 nan 8.190 nan 0.000 0.428 335 V N 3.572 123.478 119.914 -0.012 0.000 2.524 335 V HA 0.446 4.757 4.120 0.318 0.000 0.297 335 V C 0.043 176.131 176.094 -0.010 0.000 1.035 335 V CA -0.627 61.668 62.300 -0.007 0.000 0.867 335 V CB 2.391 34.208 31.823 -0.009 0.000 1.004 335 V HN 0.981 nan 8.190 nan 0.000 0.426 336 T N 1.391 115.945 114.554 -0.001 0.000 2.806 336 T HA 0.732 5.272 4.350 0.318 0.000 0.290 336 T C 0.263 174.967 174.700 0.008 0.000 0.966 336 T CA 0.030 62.132 62.100 0.003 0.000 1.060 336 T CB 1.743 70.621 68.868 0.016 0.000 0.927 336 T HN 1.092 nan 8.240 nan 0.000 0.485 337 A N 2.386 125.206 122.820 0.001 0.000 2.843 337 A HA 0.464 4.975 4.320 0.318 0.000 0.248 337 A C 1.328 178.899 177.584 -0.022 0.000 0.904 337 A CA -0.009 52.022 52.037 -0.010 0.000 1.091 337 A CB -0.206 18.779 19.000 -0.025 0.000 1.208 337 A HN 0.966 nan 8.150 nan 0.000 0.476 338 T N -4.662 109.883 114.554 -0.014 0.000 3.034 338 T HA 0.399 4.939 4.350 0.318 0.000 0.248 338 T C 1.568 176.215 174.700 -0.090 0.000 1.040 338 T CA 1.098 63.178 62.100 -0.033 0.000 1.107 338 T CB -0.005 68.856 68.868 -0.012 0.000 0.932 338 T HN 1.845 nan 8.240 nan 0.000 0.474 339 G N 1.738 110.462 108.800 -0.127 0.000 2.147 339 G HA2 -0.225 3.926 3.960 0.318 0.000 0.244 339 G HA3 -0.225 3.926 3.960 0.318 0.000 0.244 339 G C -0.090 174.480 174.900 -0.550 0.000 1.005 339 G CA 0.259 45.092 45.100 -0.445 0.000 0.713 339 G HN 0.834 nan 8.290 nan 0.000 0.515 340 N N 0.054 118.659 118.700 -0.158 0.000 2.701 340 N HA 0.655 5.585 4.740 0.318 0.000 0.290 340 N C 0.015 175.641 175.510 0.193 0.000 1.338 340 N CA -0.408 52.634 53.050 -0.013 0.000 0.799 340 N CB 1.191 39.672 38.487 -0.011 0.000 1.491 340 N HN 0.505 nan 8.380 nan 0.000 0.540 341 K N -0.425 120.059 120.400 0.140 0.000 2.139 341 K HA 0.448 4.959 4.320 0.318 0.000 0.243 341 K C -1.073 175.571 176.600 0.074 0.000 0.983 341 K CA -0.425 55.940 56.287 0.131 0.000 0.890 341 K CB 0.740 33.295 32.500 0.092 0.000 1.090 341 K HN 0.415 nan 8.250 nan 0.000 0.445 342 D N 0.884 121.319 120.400 0.059 0.000 2.705 342 D HA -0.147 4.684 4.640 0.318 0.000 0.240 342 D C 0.579 176.915 176.300 0.059 0.000 1.137 342 D CA 0.492 54.522 54.000 0.049 0.000 0.677 342 D CB -0.767 40.054 40.800 0.036 0.000 1.049 342 D HN 0.529 nan 8.370 nan 0.000 0.427 343 I N -0.693 119.907 120.570 0.051 0.000 2.556 343 I HA -0.015 4.345 4.170 0.318 0.000 0.251 343 I C 1.281 177.399 176.117 0.002 0.000 1.105 343 I CA 0.705 62.017 61.300 0.020 0.000 1.436 343 I CB 0.070 38.075 38.000 0.007 0.000 1.139 343 I HN 0.109 nan 8.210 nan 0.000 0.438 344 I N 3.023 123.619 120.570 0.044 0.000 2.382 344 I HA 0.310 4.671 4.170 0.318 0.000 0.285 344 I C -0.006 176.231 176.117 0.199 0.000 1.007 344 I CA -0.252 61.108 61.300 0.100 0.000 1.142 344 I CB 1.398 39.417 38.000 0.033 0.000 1.289 344 I HN 0.007 nan 8.210 nan 0.000 0.453 345 M N 4.839 124.698 119.600 0.431 0.000 2.649 345 M HA 0.281 4.951 4.480 0.318 0.000 0.294 345 M C 1.145 177.432 176.300 -0.023 0.000 1.206 345 M CA -0.864 54.490 55.300 0.089 0.000 0.928 345 M CB 1.129 33.689 32.600 -0.065 0.000 1.571 345 M HN 0.393 nan 8.290 nan 0.000 0.501 346 L N 1.944 123.125 121.223 -0.070 0.000 2.081 346 L HA -0.219 4.311 4.340 0.318 0.000 0.212 346 L C 2.267 179.047 176.870 -0.150 0.000 1.080 346 L CA 2.155 56.950 54.840 -0.076 0.000 0.754 346 L CB -0.823 41.206 42.059 -0.050 0.000 0.893 346 L HN 0.853 nan 8.230 nan 0.000 0.433 347 E N -1.942 118.111 120.200 -0.245 0.000 2.150 347 E HA -0.270 4.271 4.350 0.318 0.000 0.193 347 E C 1.893 178.337 176.600 -0.260 0.000 0.985 347 E CA 1.669 57.898 56.400 -0.284 0.000 0.814 347 E CB -0.690 28.814 29.700 -0.328 0.000 0.752 347 E HN 0.705 nan 8.360 nan 0.000 0.466 348 H N 1.048 120.075 119.070 -0.071 0.000 2.299 348 H HA 0.009 4.755 4.556 0.317 0.000 0.302 348 H C 2.316 177.602 175.328 -0.070 0.000 1.078 348 H CA 1.550 57.562 56.048 -0.061 0.000 1.323 348 H CB -0.111 29.627 29.762 -0.040 0.000 1.381 348 H HN 0.060 nan 8.280 nan 0.000 0.498 349 I N 1.253 121.859 120.570 0.060 0.000 2.145 349 I HA -0.329 4.031 4.170 0.318 0.000 0.244 349 I C 2.058 178.114 176.117 -0.100 0.000 1.075 349 I CA 1.514 62.825 61.300 0.018 0.000 1.332 349 I CB -0.250 37.778 38.000 0.047 0.000 1.033 349 I HN 0.232 nan 8.210 nan 0.000 0.410 350 K N 0.470 120.703 120.400 -0.279 0.000 2.280 350 K HA -0.089 4.422 4.320 0.318 0.000 0.202 350 K C 1.782 178.212 176.600 -0.284 0.000 1.047 350 K CA 1.316 57.281 56.287 -0.537 0.000 0.942 350 K CB -0.125 32.060 32.500 -0.525 0.000 0.739 350 K HN 0.395 nan 8.250 nan 0.000 0.457 351 A N 0.424 123.164 122.820 -0.135 0.000 2.348 351 A HA 0.189 4.699 4.320 0.318 0.000 0.224 351 A C 0.691 178.263 177.584 -0.020 0.000 1.227 351 A CA -0.289 51.709 52.037 -0.065 0.000 0.885 351 A CB 0.005 18.985 19.000 -0.033 0.000 0.933 351 A HN 0.104 nan 8.150 nan 0.000 0.506 352 M N 1.621 121.217 119.600 -0.006 0.000 2.250 352 M HA 0.091 4.762 4.480 0.318 0.000 0.337 352 M C 0.659 176.982 176.300 0.038 0.000 1.161 352 M CA 0.129 55.444 55.300 0.025 0.000 1.088 352 M CB 0.524 33.151 32.600 0.044 0.000 1.639 352 M HN 0.431 nan 8.290 nan 0.000 0.447 353 K N 1.461 121.887 120.400 0.044 0.000 2.344 353 K HA 0.023 4.534 4.320 0.318 0.000 0.260 353 K C -0.406 176.247 176.600 0.088 0.000 0.988 353 K CA -0.540 55.782 56.287 0.057 0.000 0.909 353 K CB 0.328 32.859 32.500 0.052 0.000 0.968 353 K HN 0.462 nan 8.250 nan 0.000 0.505 354 D N 0.869 121.334 120.400 0.109 0.000 2.417 354 D HA -0.053 4.778 4.640 0.318 0.000 0.250 354 D C -0.247 176.197 176.300 0.241 0.000 1.166 354 D CA 0.691 54.792 54.000 0.167 0.000 0.881 354 D CB -0.005 40.903 40.800 0.179 0.000 1.164 354 D HN 0.767 nan 8.370 nan 0.000 0.467 355 H N 0.437 119.551 119.070 0.074 0.000 2.958 355 H HA -0.207 4.539 4.556 0.318 0.000 0.274 355 H C -0.002 175.361 175.328 0.058 0.000 1.184 355 H CA 0.559 56.646 56.048 0.065 0.000 1.143 355 H CB -1.544 28.247 29.762 0.048 0.000 1.297 355 H HN 0.511 nan 8.280 nan 0.000 0.356 356 A N 0.834 123.728 122.820 0.123 0.000 2.466 356 A HA 0.436 4.947 4.320 0.318 0.000 0.238 356 A C 0.721 178.349 177.584 0.074 0.000 1.074 356 A CA 0.016 52.105 52.037 0.087 0.000 0.774 356 A CB 0.400 19.441 19.000 0.069 0.000 1.015 356 A HN 0.303 nan 8.150 nan 0.000 0.498 357 I N 1.201 121.809 120.570 0.062 0.000 2.359 357 I HA 0.357 4.718 4.170 0.318 0.000 0.294 357 I C -0.414 175.730 176.117 0.045 0.000 0.987 357 I CA -0.307 61.026 61.300 0.056 0.000 1.225 357 I CB 1.520 39.549 38.000 0.049 0.000 1.366 357 I HN 0.561 nan 8.210 nan 0.000 0.466 358 L N 6.363 127.615 121.223 0.049 0.000 2.341 358 L HA 0.925 5.456 4.340 0.318 0.000 0.278 358 L C -0.243 176.650 176.870 0.038 0.000 1.005 358 L CA 0.137 54.999 54.840 0.038 0.000 0.818 358 L CB 1.630 43.711 42.059 0.035 0.000 1.259 358 L HN 0.627 nan 8.230 nan 0.000 0.418 359 G N 2.493 111.309 108.800 0.028 0.000 2.690 359 G HA2 0.400 4.550 3.960 0.318 0.000 0.293 359 G HA3 0.400 4.550 3.960 0.318 0.000 0.293 359 G C -1.979 172.935 174.900 0.023 0.000 1.399 359 G CA -0.728 44.390 45.100 0.031 0.000 0.890 359 G HN 0.647 nan 8.290 nan 0.000 0.485 360 N N 0.080 118.797 118.700 0.028 0.000 2.372 360 N HA 0.475 5.405 4.740 0.318 0.000 0.291 360 N C -0.035 175.486 175.510 0.019 0.000 1.024 360 N CA -0.821 52.243 53.050 0.023 0.000 0.873 360 N CB 1.862 40.363 38.487 0.024 0.000 1.206 360 N HN 0.350 nan 8.380 nan 0.000 0.486 361 I N 1.874 122.452 120.570 0.014 0.000 4.240 361 I HA 0.425 4.786 4.170 0.318 0.000 0.331 361 I C 1.067 177.185 176.117 0.001 0.000 1.381 361 I CA -0.210 61.093 61.300 0.006 0.000 1.136 361 I CB 0.082 38.087 38.000 0.009 0.000 1.137 361 I HN 0.681 nan 8.210 nan 0.000 0.411 362 G N 1.139 109.949 108.800 0.016 0.000 2.632 362 G HA2 0.040 4.190 3.960 0.318 0.000 0.220 362 G HA3 0.040 4.190 3.960 0.318 0.000 0.220 362 G C 0.049 174.965 174.900 0.027 0.000 1.439 362 G CA 0.544 45.660 45.100 0.026 0.000 0.934 362 G HN 0.460 nan 8.290 nan 0.000 0.536 363 H N -2.050 116.912 119.070 -0.180 0.000 3.046 363 H HA 0.483 5.229 4.556 0.317 0.000 0.363 363 H C -0.012 175.164 175.328 -0.253 0.000 1.203 363 H CA -1.416 54.388 56.048 -0.406 0.000 1.169 363 H CB 0.444 29.849 29.762 -0.595 0.000 1.851 363 H HN 0.286 nan 8.280 nan 0.000 0.546 364 F N 0.655 120.500 119.950 -0.176 0.000 1.692 364 F HA -0.322 4.394 4.527 0.316 0.000 0.191 364 F C 1.375 177.041 175.800 -0.224 0.000 0.146 364 F CA 2.051 59.898 58.000 -0.254 0.000 0.579 364 F CB -0.983 37.810 39.000 -0.345 0.000 2.449 364 F HN 0.843 nan 8.300 nan 0.000 0.549 365 D N -0.756 119.646 120.400 0.004 0.000 2.636 365 D HA 0.151 4.981 4.640 0.318 0.000 0.270 365 D C 0.453 176.733 176.300 -0.033 0.000 1.430 365 D CA 0.486 54.476 54.000 -0.018 0.000 0.796 365 D CB -1.063 39.743 40.800 0.012 0.000 1.117 365 D HN 0.560 nan 8.370 nan 0.000 0.480 366 N N 0.658 119.311 118.700 -0.079 0.000 2.299 366 N HA -0.045 4.885 4.740 0.318 0.000 0.187 366 N C 1.009 176.518 175.510 -0.001 0.000 1.099 366 N CA 0.066 53.089 53.050 -0.044 0.000 0.867 366 N CB 0.014 38.476 38.487 -0.042 0.000 0.974 366 N HN 0.195 nan 8.380 nan 0.000 0.477 367 E N 0.391 120.595 120.200 0.007 0.000 2.106 367 E HA 0.050 4.590 4.350 0.318 0.000 0.192 367 E C 0.227 176.847 176.600 0.033 0.000 0.984 367 E CA 0.690 57.126 56.400 0.060 0.000 0.806 367 E CB 0.321 30.071 29.700 0.082 0.000 0.750 367 E HN 0.412 nan 8.360 nan 0.000 0.458 368 I N 1.711 122.290 120.570 0.014 0.000 2.392 368 I HA 0.062 4.423 4.170 0.318 0.000 0.295 368 I C -0.172 175.941 176.117 -0.007 0.000 0.985 368 I CA -0.644 60.660 61.300 0.007 0.000 1.221 368 I CB 1.379 39.377 38.000 -0.002 0.000 1.366 368 I HN -0.176 nan 8.210 nan 0.000 0.467 369 D N 6.589 126.984 120.400 -0.009 0.000 2.545 369 D HA 0.096 4.927 4.640 0.318 0.000 0.227 369 D C 0.906 177.169 176.300 -0.061 0.000 1.150 369 D CA 0.037 54.023 54.000 -0.024 0.000 1.046 369 D CB 0.588 41.379 40.800 -0.016 0.000 1.098 369 D HN 0.313 nan 8.370 nan 0.000 0.502 370 M N 1.470 121.037 119.600 -0.056 0.000 2.236 370 M HA 0.031 4.701 4.480 0.318 0.000 0.266 370 M C 2.008 178.260 176.300 -0.080 0.000 1.070 370 M CA 0.559 55.806 55.300 -0.089 0.000 1.137 370 M CB -0.977 31.605 32.600 -0.030 0.000 1.378 370 M HN 0.429 nan 8.290 nan 0.000 0.426 371 A N 0.405 123.204 122.820 -0.034 0.000 1.933 371 A HA -0.011 4.500 4.320 0.318 0.000 0.218 371 A C 2.392 179.960 177.584 -0.027 0.000 1.175 371 A CA 1.958 53.987 52.037 -0.014 0.000 0.628 371 A CB -1.378 17.624 19.000 0.003 0.000 0.814 371 A HN 0.499 nan 8.150 nan 0.000 0.444 372 G N -0.172 108.603 108.800 -0.040 0.000 2.418 372 G HA2 -0.132 4.019 3.960 0.318 0.000 0.217 372 G HA3 -0.132 4.019 3.960 0.318 0.000 0.217 372 G C 1.487 176.353 174.900 -0.057 0.000 1.158 372 G CA 1.152 46.230 45.100 -0.037 0.000 0.771 372 G HN 0.539 nan 8.290 nan 0.000 0.545 373 L N 0.528 121.670 121.223 -0.135 0.000 2.083 373 L HA 0.062 4.593 4.340 0.318 0.000 0.209 373 L C 2.512 179.181 176.870 -0.335 0.000 1.083 373 L CA 2.126 56.804 54.840 -0.269 0.000 0.752 373 L CB -0.479 41.271 42.059 -0.515 0.000 0.899 373 L HN 0.299 nan 8.230 nan 0.000 0.433 374 E N -0.579 119.488 120.200 -0.222 0.000 2.106 374 E HA -0.113 4.428 4.350 0.318 0.000 0.192 374 E C 1.678 178.327 176.600 0.081 0.000 0.984 374 E CA 1.009 57.417 56.400 0.013 0.000 0.806 374 E CB 0.020 29.774 29.700 0.090 0.000 0.750 374 E HN 0.394 nan 8.360 nan 0.000 0.458 375 R N 0.006 120.528 120.500 0.036 0.000 2.426 375 R HA 0.101 4.632 4.340 0.318 0.000 0.263 375 R C 1.462 177.795 176.300 0.055 0.000 0.961 375 R CA 0.435 56.566 56.100 0.051 0.000 1.086 375 R CB 0.477 30.800 30.300 0.039 0.000 1.186 375 R HN 0.122 nan 8.270 nan 0.000 0.537 376 S N -1.183 114.556 115.700 0.065 0.000 2.501 376 S HA 0.076 4.737 4.470 0.318 0.000 0.220 376 S C 1.449 176.125 174.600 0.127 0.000 0.997 376 S CA 0.542 58.806 58.200 0.107 0.000 0.919 376 S CB 0.547 63.856 63.200 0.181 0.000 0.778 376 S HN 0.418 nan 8.310 nan 0.000 0.523 377 G N 0.887 109.747 108.800 0.099 0.000 2.157 377 G HA2 -0.071 4.080 3.960 0.318 0.000 0.248 377 G HA3 -0.071 4.080 3.960 0.318 0.000 0.248 377 G C 0.263 175.188 174.900 0.042 0.000 0.979 377 G CA -0.044 45.106 45.100 0.084 0.000 0.650 377 G HN 1.208 nan 8.290 nan 0.000 0.529 378 A N 0.135 122.931 122.820 -0.041 0.000 2.366 378 A HA 0.740 5.251 4.320 0.318 0.000 0.249 378 A C 0.878 178.469 177.584 0.012 0.000 1.084 378 A CA 1.099 52.987 52.037 -0.247 0.000 0.794 378 A CB 0.304 18.861 19.000 -0.739 0.000 1.034 378 A HN 1.482 nan 8.150 nan 0.000 0.491 379 T N -0.096 114.419 114.554 -0.065 0.000 2.895 379 T HA 0.640 5.180 4.350 0.318 0.000 0.283 379 T C -0.186 174.333 174.700 -0.301 0.000 1.014 379 T CA -0.774 61.256 62.100 -0.117 0.000 1.037 379 T CB 1.293 70.097 68.868 -0.108 0.000 1.006 379 T HN 0.749 nan 8.240 nan 0.000 0.468 380 R N 1.359 121.523 120.500 -0.559 0.000 2.494 380 R HA 0.629 5.159 4.340 0.318 0.000 0.305 380 R C -1.794 174.187 176.300 -0.532 0.000 0.959 380 R CA -0.703 54.826 56.100 -0.953 0.000 0.864 380 R CB 1.307 30.637 30.300 -1.617 0.000 1.159 380 R HN 0.564 nan 8.270 nan 0.000 0.446 381 V N 4.367 124.021 119.914 -0.434 0.000 2.409 381 V HA 0.178 4.489 4.120 0.318 0.000 0.291 381 V C -0.230 175.713 176.094 -0.252 0.000 1.020 381 V CA -0.995 61.147 62.300 -0.264 0.000 0.848 381 V CB 1.375 33.096 31.823 -0.171 0.000 0.990 381 V HN 0.765 nan 8.190 nan 0.000 0.430 382 N N 3.981 122.560 118.700 -0.201 0.000 2.431 382 N HA 0.134 5.064 4.740 0.318 0.000 0.265 382 N C 0.660 176.109 175.510 -0.102 0.000 1.184 382 N CA 0.102 53.061 53.050 -0.151 0.000 0.943 382 N CB 1.563 39.980 38.487 -0.116 0.000 1.080 382 N HN 0.367 nan 8.380 nan 0.000 0.477 383 V N 3.842 123.705 119.914 -0.085 0.000 2.346 383 V HA -0.033 4.277 4.120 0.318 0.000 0.244 383 V C 0.758 176.826 176.094 -0.043 0.000 1.037 383 V CA 1.559 63.827 62.300 -0.052 0.000 1.029 383 V CB -0.770 31.034 31.823 -0.032 0.000 0.663 383 V HN 0.899 nan 8.190 nan 0.000 0.454 384 K N -1.476 118.895 120.400 -0.049 0.000 2.672 384 K HA 0.371 4.882 4.320 0.318 0.000 0.295 384 K C -3.328 173.233 176.600 -0.064 0.000 1.042 384 K CA -1.869 54.392 56.287 -0.044 0.000 0.869 384 K CB 0.857 33.340 32.500 -0.030 0.000 1.541 384 K HN -0.229 nan 8.250 nan 0.000 0.396 385 P HA -0.021 nan 4.420 nan 0.000 0.260 385 P C -0.904 176.304 177.300 -0.154 0.000 1.172 385 P CA 0.819 63.853 63.100 -0.110 0.000 0.760 385 P CB 0.309 31.961 31.700 -0.079 0.000 0.773 386 Q N -0.834 118.821 119.800 -0.242 0.000 2.452 386 Q HA -0.151 4.380 4.340 0.318 0.000 0.248 386 Q C -0.689 175.244 176.000 -0.112 0.000 0.874 386 Q CA 0.947 56.593 55.803 -0.262 0.000 1.208 386 Q CB -2.105 26.442 28.738 -0.319 0.000 1.569 386 Q HN 0.254 nan 8.270 nan 0.000 0.579 387 V N 0.549 120.417 119.914 -0.078 0.000 2.483 387 V HA 0.583 4.894 4.120 0.318 0.000 0.297 387 V C -0.314 175.756 176.094 -0.041 0.000 1.027 387 V CA -0.748 61.533 62.300 -0.032 0.000 0.855 387 V CB 2.182 33.991 31.823 -0.024 0.000 0.995 387 V HN 0.064 nan 8.190 nan 0.000 0.424 388 D N 3.681 124.075 120.400 -0.010 0.000 2.896 388 D HA 0.452 5.283 4.640 0.318 0.000 0.241 388 D C -1.104 175.161 176.300 -0.059 0.000 1.188 388 D CA -0.397 53.550 54.000 -0.088 0.000 0.879 388 D CB 3.170 43.919 40.800 -0.084 0.000 1.553 388 D HN 0.404 nan 8.370 nan 0.000 0.515 389 L N 2.722 123.849 121.223 -0.161 0.000 2.272 389 L HA 0.486 5.016 4.340 0.318 0.000 0.289 389 L C -1.474 175.277 176.870 -0.197 0.000 1.032 389 L CA -0.288 54.485 54.840 -0.110 0.000 0.810 389 L CB 0.681 42.675 42.059 -0.109 0.000 1.205 389 L HN 0.282 nan 8.230 nan 0.000 0.422 390 W N 3.899 125.118 121.300 -0.135 0.000 2.520 390 W HA 0.679 5.529 4.660 0.317 0.000 0.323 390 W C -0.275 176.101 176.519 -0.239 0.000 1.062 390 W CA -0.401 56.827 57.345 -0.195 0.000 1.215 390 W CB 2.204 31.545 29.460 -0.198 0.000 1.340 390 W HN 0.365 nan 8.180 nan 0.000 0.516 391 T N 3.496 117.996 114.554 -0.090 0.000 2.881 391 T HA 0.442 4.982 4.350 0.318 0.000 0.290 391 T C -1.298 173.291 174.700 -0.185 0.000 1.000 391 T CA -0.639 61.410 62.100 -0.084 0.000 0.978 391 T CB 0.641 69.487 68.868 -0.037 0.000 0.997 391 T HN -0.036 nan 8.240 nan 0.000 0.443 392 F N 1.844 121.837 119.950 0.073 0.000 2.391 392 F HA 0.444 5.161 4.527 0.317 0.000 0.359 392 F C 1.554 177.382 175.800 0.047 0.000 1.122 392 F CA -0.606 57.431 58.000 0.061 0.000 1.120 392 F CB 1.247 40.275 39.000 0.046 0.000 1.142 392 F HN 0.793 nan 8.300 nan 0.000 0.483 393 G N 1.810 110.715 108.800 0.175 0.000 2.448 393 G HA2 -0.272 3.878 3.960 0.318 0.000 0.219 393 G HA3 -0.272 3.878 3.960 0.318 0.000 0.219 393 G C 1.330 176.300 174.900 0.117 0.000 1.127 393 G CA 1.027 46.197 45.100 0.117 0.000 0.766 393 G HN 0.681 nan 8.290 nan 0.000 0.552 394 D N 0.607 121.092 120.400 0.142 0.000 2.162 394 D HA -0.102 4.728 4.640 0.318 0.000 0.203 394 D C 2.274 178.620 176.300 0.076 0.000 0.967 394 D CA 1.820 55.876 54.000 0.093 0.000 0.840 394 D CB -1.015 39.830 40.800 0.075 0.000 0.972 394 D HN 0.389 nan 8.370 nan 0.000 0.482 395 T N -4.701 109.912 114.554 0.099 0.000 3.023 395 T HA 0.404 4.945 4.350 0.318 0.000 0.249 395 T C 1.887 176.642 174.700 0.091 0.000 1.050 395 T CA 0.618 62.762 62.100 0.073 0.000 1.088 395 T CB 0.189 69.084 68.868 0.045 0.000 0.946 395 T HN 0.400 nan 8.240 nan 0.000 0.480 396 G N 1.908 110.781 108.800 0.122 0.000 2.176 396 G HA2 -0.245 3.905 3.960 0.318 0.000 0.253 396 G HA3 -0.245 3.905 3.960 0.318 0.000 0.253 396 G C 0.221 175.199 174.900 0.131 0.000 0.979 396 G CA -0.061 45.105 45.100 0.110 0.000 0.641 396 G HN 0.664 nan 8.290 nan 0.000 0.530 397 R N 0.481 121.076 120.500 0.158 0.000 2.500 397 R HA 0.655 5.186 4.340 0.318 0.000 0.277 397 R C -0.291 176.123 176.300 0.190 0.000 1.026 397 R CA 0.108 56.306 56.100 0.163 0.000 1.058 397 R CB 1.296 31.677 30.300 0.136 0.000 1.078 397 R HN 0.235 nan 8.270 nan 0.000 0.509 398 S N 1.180 116.937 115.700 0.095 0.000 2.634 398 S HA 0.621 5.281 4.470 0.318 0.000 0.296 398 S C -0.807 173.775 174.600 -0.030 0.000 1.104 398 S CA -0.701 57.493 58.200 -0.010 0.000 0.920 398 S CB 1.675 64.721 63.200 -0.257 0.000 1.111 398 S HN 0.344 nan 8.310 nan 0.000 0.493 399 I N 1.204 121.787 120.570 0.022 0.000 2.569 399 I HA 0.431 4.792 4.170 0.318 0.000 0.290 399 I C -1.126 175.035 176.117 0.073 0.000 1.088 399 I CA -0.270 61.072 61.300 0.070 0.000 1.047 399 I CB 1.636 39.728 38.000 0.154 0.000 1.237 399 I HN 0.559 nan 8.210 nan 0.000 0.421 400 I N 6.294 126.895 120.570 0.052 0.000 2.371 400 I HA 0.340 4.700 4.170 0.318 0.000 0.290 400 I C -0.576 175.613 176.117 0.121 0.000 1.028 400 I CA -0.441 60.908 61.300 0.081 0.000 1.345 400 I CB 0.906 38.943 38.000 0.062 0.000 1.407 400 I HN 0.130 nan 8.210 nan 0.000 0.501 401 V N 7.662 127.683 119.914 0.179 0.000 2.448 401 V HA 0.424 4.735 4.120 0.318 0.000 0.295 401 V C -0.013 176.158 176.094 0.128 0.000 1.025 401 V CA -0.638 61.763 62.300 0.168 0.000 0.859 401 V CB 1.724 33.694 31.823 0.245 0.000 0.988 401 V HN 0.456 nan 8.190 nan 0.000 0.431 402 L N 3.204 124.479 121.223 0.087 0.000 2.322 402 L HA 0.461 4.992 4.340 0.318 0.000 0.279 402 L C 1.107 178.018 176.870 0.068 0.000 1.036 402 L CA -0.456 54.418 54.840 0.058 0.000 0.807 402 L CB 1.537 43.620 42.059 0.040 0.000 1.226 402 L HN 0.767 nan 8.230 nan 0.000 0.433 403 S N 1.324 117.041 115.700 0.029 0.000 3.477 403 S HA -0.221 4.439 4.470 0.318 0.000 0.357 403 S C 0.640 175.372 174.600 0.221 0.000 1.083 403 S CA 1.288 59.519 58.200 0.052 0.000 1.042 403 S CB -1.250 62.025 63.200 0.125 0.000 0.911 403 S HN 0.927 nan 8.310 nan 0.000 0.490 404 E N -1.947 118.366 120.200 0.188 0.000 2.586 404 E HA -0.270 4.271 4.350 0.318 0.000 0.259 404 E C 0.891 177.601 176.600 0.184 0.000 1.107 404 E CA 0.635 57.184 56.400 0.249 0.000 0.754 404 E CB -2.007 27.912 29.700 0.365 0.000 1.335 404 E HN 1.416 nan 8.360 nan 0.000 0.411 405 G N -0.270 108.608 108.800 0.131 0.000 2.162 405 G HA2 -0.375 3.776 3.960 0.318 0.000 0.260 405 G HA3 -0.375 3.776 3.960 0.318 0.000 0.260 405 G C 0.292 175.235 174.900 0.072 0.000 0.976 405 G CA 0.786 45.933 45.100 0.078 0.000 0.655 405 G HN 0.309 nan 8.290 nan 0.000 0.533 406 R N -0.871 119.699 120.500 0.117 0.000 2.797 406 R HA 0.685 5.215 4.340 0.318 0.000 0.251 406 R C 0.967 177.316 176.300 0.083 0.000 1.107 406 R CA -1.091 55.061 56.100 0.086 0.000 1.084 406 R CB 0.561 30.928 30.300 0.112 0.000 1.205 406 R HN 0.187 nan 8.270 nan 0.000 0.515 407 L N 3.615 124.865 121.223 0.044 0.000 2.700 407 L HA -0.069 4.462 4.340 0.318 0.000 0.272 407 L C 1.507 178.396 176.870 0.033 0.000 1.176 407 L CA -0.024 54.824 54.840 0.014 0.000 0.961 407 L CB -0.364 41.672 42.059 -0.037 0.000 1.249 407 L HN 0.627 nan 8.230 nan 0.000 0.487 408 L N 2.111 123.351 121.223 0.028 0.000 2.217 408 L HA -0.098 4.432 4.340 0.318 0.000 0.211 408 L C 2.201 179.077 176.870 0.011 0.000 1.107 408 L CA 1.412 56.269 54.840 0.029 0.000 0.783 408 L CB -0.817 41.259 42.059 0.028 0.000 0.919 408 L HN 0.759 nan 8.230 nan 0.000 0.442 409 N N 0.690 119.384 118.700 -0.010 0.000 2.300 409 N HA -0.146 4.785 4.740 0.318 0.000 0.179 409 N C 1.669 177.150 175.510 -0.048 0.000 1.016 409 N CA 1.742 54.782 53.050 -0.017 0.000 0.876 409 N CB -0.615 37.867 38.487 -0.009 0.000 0.979 409 N HN 0.519 nan 8.380 nan 0.000 0.432 410 L N -0.140 121.027 121.223 -0.093 0.000 2.298 410 L HA 0.259 4.790 4.340 0.318 0.000 0.209 410 L C 2.541 179.409 176.870 -0.003 0.000 1.084 410 L CA 0.789 55.561 54.840 -0.114 0.000 0.816 410 L CB -0.347 41.537 42.059 -0.292 0.000 0.967 410 L HN 0.268 nan 8.230 nan 0.000 0.460 411 G N -0.259 108.567 108.800 0.044 0.000 2.424 411 G HA2 -0.201 3.949 3.960 0.318 0.000 0.214 411 G HA3 -0.201 3.949 3.960 0.318 0.000 0.214 411 G C 1.298 176.211 174.900 0.022 0.000 1.202 411 G CA 0.398 45.557 45.100 0.099 0.000 0.793 411 G HN 0.279 nan 8.290 nan 0.000 0.534 412 N N 0.974 119.680 118.700 0.010 0.000 2.494 412 N HA 0.187 5.118 4.740 0.318 0.000 0.182 412 N C 0.977 176.498 175.510 0.019 0.000 1.076 412 N CA 0.797 53.847 53.050 0.001 0.000 0.908 412 N CB 0.538 39.026 38.487 0.002 0.000 0.967 412 N HN 0.425 nan 8.380 nan 0.000 0.449 413 A N 0.157 122.992 122.820 0.026 0.000 4.238 413 A HA 0.421 4.931 4.320 0.318 0.000 0.196 413 A C 0.720 178.331 177.584 0.045 0.000 0.732 413 A CA 0.041 52.103 52.037 0.041 0.000 0.721 413 A CB -0.066 18.962 19.000 0.047 0.000 1.642 413 A HN 0.124 nan 8.150 nan 0.000 0.861 414 T N -2.277 112.308 114.554 0.052 0.000 3.085 414 T HA 0.515 5.055 4.350 0.318 0.000 0.264 414 T C 1.120 175.825 174.700 0.008 0.000 1.019 414 T CA 1.226 63.357 62.100 0.051 0.000 0.910 414 T CB -0.328 68.591 68.868 0.085 0.000 1.059 414 T HN 2.550 nan 8.240 nan 0.000 0.542 415 G N 1.562 110.342 108.800 -0.032 0.000 2.642 415 G HA2 -0.180 3.970 3.960 0.318 0.000 0.231 415 G HA3 -0.180 3.970 3.960 0.318 0.000 0.231 415 G C -0.658 174.233 174.900 -0.015 0.000 1.338 415 G CA -0.608 44.407 45.100 -0.142 0.000 0.883 415 G HN 0.782 nan 8.290 nan 0.000 0.570 416 H N 2.060 121.127 119.070 -0.005 0.000 2.629 416 H HA 0.402 5.148 4.556 0.317 0.000 0.357 416 H C -1.468 173.830 175.328 -0.050 0.000 1.121 416 H CA -0.669 55.371 56.048 -0.012 0.000 1.406 416 H CB 0.816 30.553 29.762 -0.042 0.000 1.456 416 H HN 0.512 nan 8.280 nan 0.000 0.579 417 P HA -0.038 nan 4.420 nan 0.000 0.271 417 P C 0.206 177.501 177.300 -0.008 0.000 1.244 417 P CA -0.156 62.886 63.100 -0.097 0.000 0.793 417 P CB 0.846 32.300 31.700 -0.411 0.000 0.984 418 S N -0.422 115.298 115.700 0.033 0.000 2.399 418 S HA -0.144 4.516 4.470 0.318 0.000 0.231 418 S C 1.495 176.146 174.600 0.085 0.000 1.022 418 S CA 1.090 59.333 58.200 0.071 0.000 0.983 418 S CB -0.910 62.350 63.200 0.099 0.000 0.803 418 S HN 0.510 nan 8.310 nan 0.000 0.480 419 F N 1.313 121.238 119.950 -0.042 0.000 2.416 419 F HA 0.060 4.780 4.527 0.321 0.000 0.296 419 F C 1.961 177.699 175.800 -0.103 0.000 1.099 419 F CA 0.409 58.394 58.000 -0.025 0.000 1.427 419 F CB 0.013 39.007 39.000 -0.011 0.000 1.079 419 F HN -0.062 nan 8.300 nan 0.000 0.536 420 V N 0.206 120.142 119.914 0.036 0.000 2.307 420 V HA -0.289 4.022 4.120 0.318 0.000 0.245 420 V C 2.290 178.267 176.094 -0.195 0.000 1.045 420 V CA 1.521 63.778 62.300 -0.072 0.000 1.024 420 V CB -0.456 31.334 31.823 -0.056 0.000 0.651 420 V HN 0.243 nan 8.190 nan 0.000 0.449 421 M N -0.338 119.135 119.600 -0.211 0.000 2.374 421 M HA -0.069 4.602 4.480 0.318 0.000 0.264 421 M C 2.382 178.452 176.300 -0.383 0.000 1.067 421 M CA 1.333 56.347 55.300 -0.476 0.000 1.103 421 M CB -1.752 30.532 32.600 -0.527 0.000 1.402 421 M HN 0.427 nan 8.290 nan 0.000 0.444 422 S N 0.952 116.516 115.700 -0.226 0.000 2.368 422 S HA -0.128 4.533 4.470 0.318 0.000 0.225 422 S C 1.831 176.341 174.600 -0.150 0.000 1.030 422 S CA 1.246 59.381 58.200 -0.108 0.000 0.999 422 S CB -0.075 63.051 63.200 -0.123 0.000 0.844 422 S HN 0.502 nan 8.310 nan 0.000 0.459 423 N N 0.929 119.349 118.700 -0.467 0.000 2.039 423 N HA -0.061 4.870 4.740 0.318 0.000 0.193 423 N C 1.994 177.391 175.510 -0.188 0.000 1.044 423 N CA 1.763 54.551 53.050 -0.437 0.000 0.847 423 N CB -0.614 37.563 38.487 -0.517 0.000 1.030 423 N HN 0.420 nan 8.380 nan 0.000 0.422 424 S N 0.887 116.456 115.700 -0.219 0.000 2.370 424 S HA -0.073 4.588 4.470 0.318 0.000 0.226 424 S C 1.777 176.385 174.600 0.012 0.000 1.033 424 S CA 1.042 59.157 58.200 -0.143 0.000 1.011 424 S CB -0.358 62.682 63.200 -0.266 0.000 0.852 424 S HN 0.240 nan 8.310 nan 0.000 0.457 425 F N 1.830 121.784 119.950 0.007 0.000 2.293 425 F HA 0.277 4.993 4.527 0.316 0.000 0.297 425 F C 2.573 178.380 175.800 0.012 0.000 1.089 425 F CA -0.377 57.634 58.000 0.018 0.000 1.377 425 F CB -1.455 37.552 39.000 0.012 0.000 1.051 425 F HN 0.161 nan 8.300 nan 0.000 0.511 426 A N 0.869 123.799 122.820 0.184 0.000 1.892 426 A HA -0.299 4.211 4.320 0.318 0.000 0.218 426 A C 2.056 179.696 177.584 0.093 0.000 1.188 426 A CA 2.399 54.507 52.037 0.118 0.000 0.631 426 A CB -1.302 17.767 19.000 0.115 0.000 0.822 426 A HN 0.443 nan 8.150 nan 0.000 0.447 427 N N -0.632 118.116 118.700 0.080 0.000 2.149 427 N HA -0.164 4.767 4.740 0.318 0.000 0.188 427 N C 1.996 177.556 175.510 0.082 0.000 1.019 427 N CA 1.492 54.581 53.050 0.066 0.000 0.857 427 N CB -0.124 38.392 38.487 0.049 0.000 0.997 427 N HN 0.480 nan 8.380 nan 0.000 0.426 428 Q N -0.106 119.771 119.800 0.128 0.000 2.083 428 Q HA -0.027 4.503 4.340 0.318 0.000 0.198 428 Q C 1.925 177.963 176.000 0.063 0.000 0.969 428 Q CA 1.230 57.105 55.803 0.121 0.000 0.838 428 Q CB -0.368 28.491 28.738 0.202 0.000 0.900 428 Q HN 0.452 nan 8.270 nan 0.000 0.436 429 T N 1.786 116.374 114.554 0.056 0.000 2.674 429 T HA -0.098 4.442 4.350 0.318 0.000 0.265 429 T C 2.046 176.726 174.700 -0.033 0.000 1.039 429 T CA 1.037 63.136 62.100 -0.001 0.000 1.150 429 T CB -0.278 68.592 68.868 0.004 0.000 0.864 429 T HN 0.191 nan 8.240 nan 0.000 0.427 430 I N 1.387 121.956 120.570 -0.003 0.000 2.264 430 I HA -0.224 4.136 4.170 0.318 0.000 0.248 430 I C 2.871 178.986 176.117 -0.004 0.000 1.111 430 I CA 1.176 62.472 61.300 -0.006 0.000 1.382 430 I CB -0.431 37.593 38.000 0.039 0.000 1.060 430 I HN 0.219 nan 8.210 nan 0.000 0.418 431 A N -0.151 122.675 122.820 0.010 0.000 1.930 431 A HA -0.185 4.326 4.320 0.318 0.000 0.217 431 A C 2.283 179.853 177.584 -0.023 0.000 1.175 431 A CA 1.128 53.166 52.037 0.002 0.000 0.627 431 A CB -0.332 18.680 19.000 0.020 0.000 0.815 431 A HN 0.386 nan 8.150 nan 0.000 0.443 432 Q N -0.166 119.621 119.800 -0.022 0.000 2.046 432 Q HA -0.102 4.429 4.340 0.318 0.000 0.200 432 Q C 2.199 178.200 176.000 0.001 0.000 0.975 432 Q CA 1.407 57.195 55.803 -0.025 0.000 0.836 432 Q CB -0.441 28.269 28.738 -0.047 0.000 0.896 432 Q HN 0.760 nan 8.270 nan 0.000 0.428 433 I N 1.452 121.994 120.570 -0.047 0.000 2.151 433 I HA -0.298 4.063 4.170 0.318 0.000 0.243 433 I C 2.216 178.357 176.117 0.040 0.000 1.080 433 I CA 1.372 62.646 61.300 -0.043 0.000 1.339 433 I CB -0.387 37.470 38.000 -0.238 0.000 1.039 433 I HN 0.207 nan 8.210 nan 0.000 0.409 434 E N 0.518 120.734 120.200 0.027 0.000 2.150 434 E HA -0.134 4.407 4.350 0.318 0.000 0.193 434 E C 2.319 178.944 176.600 0.041 0.000 0.985 434 E CA 1.010 57.456 56.400 0.078 0.000 0.814 434 E CB -0.133 29.636 29.700 0.114 0.000 0.752 434 E HN 0.550 nan 8.360 nan 0.000 0.466 435 L N -0.134 121.045 121.223 -0.073 0.000 2.240 435 L HA -0.022 4.509 4.340 0.318 0.000 0.211 435 L C 2.285 179.168 176.870 0.023 0.000 1.106 435 L CA 0.497 55.230 54.840 -0.179 0.000 0.793 435 L CB -0.142 41.779 42.059 -0.231 0.000 0.927 435 L HN 0.307 nan 8.230 nan 0.000 0.446 436 W N 1.022 122.262 121.300 -0.100 0.000 2.519 436 W HA -0.190 4.680 4.660 0.350 0.000 0.313 436 W C 2.409 178.904 176.519 -0.039 0.000 1.156 436 W CA 1.822 59.121 57.345 -0.076 0.000 1.394 436 W CB -0.235 29.176 29.460 -0.083 0.000 1.154 436 W HN 0.206 nan 8.180 nan 0.000 0.498 437 T N -0.741 113.812 114.554 -0.001 0.000 3.007 437 T HA -0.089 4.452 4.350 0.318 0.000 0.270 437 T C 1.110 175.768 174.700 -0.069 0.000 1.107 437 T CA 1.043 63.092 62.100 -0.084 0.000 1.118 437 T CB -0.254 68.639 68.868 0.042 0.000 0.889 437 T HN 0.086 nan 8.240 nan 0.000 0.506 438 K N 0.419 120.819 120.400 -0.000 0.000 2.676 438 K HA 0.312 4.822 4.320 0.318 0.000 0.205 438 K C 1.381 178.050 176.600 0.115 0.000 1.084 438 K CA -0.283 56.038 56.287 0.057 0.000 1.057 438 K CB 0.167 32.743 32.500 0.127 0.000 0.791 438 K HN 0.172 nan 8.250 nan 0.000 0.484 439 N N 2.345 121.051 118.700 0.010 0.000 2.192 439 N HA -0.221 4.709 4.740 0.318 0.000 0.188 439 N C 0.880 176.431 175.510 0.069 0.000 1.013 439 N CA 2.155 55.223 53.050 0.030 0.000 0.863 439 N CB 0.192 38.617 38.487 -0.103 0.000 0.990 439 N HN 0.383 nan 8.380 nan 0.000 0.430 440 D N 0.035 120.437 120.400 0.004 0.000 2.182 440 D HA -0.175 4.656 4.640 0.318 0.000 0.201 440 D C 1.040 177.332 176.300 -0.014 0.000 0.986 440 D CA 1.309 55.303 54.000 -0.011 0.000 0.847 440 D CB -0.505 40.272 40.800 -0.038 0.000 0.942 440 D HN 0.436 nan 8.370 nan 0.000 0.467 441 E N -1.467 118.704 120.200 -0.049 0.000 2.479 441 E HA 0.065 4.605 4.350 0.318 0.000 0.193 441 E C -0.431 175.980 176.600 -0.315 0.000 1.049 441 E CA -0.023 56.260 56.400 -0.194 0.000 0.870 441 E CB 0.141 29.652 29.700 -0.316 0.000 0.944 441 E HN 0.409 nan 8.360 nan 0.000 0.492 442 Y N 0.769 120.989 120.300 -0.133 0.000 2.409 442 Y HA 0.243 4.731 4.550 -0.103 0.000 0.339 442 Y C 0.463 176.373 175.900 0.017 0.000 1.033 442 Y CA -1.106 56.867 58.100 -0.212 0.000 1.094 442 Y CB 1.289 39.557 38.460 -0.319 0.000 1.210 442 Y HN -0.155 nan 8.280 nan 0.000 0.456 443 D N 0.074 120.686 120.400 0.354 0.000 2.588 443 D HA 0.163 4.994 4.640 0.318 0.000 0.268 443 D C -0.716 175.777 176.300 0.322 0.000 1.176 443 D CA -0.627 53.541 54.000 0.281 0.000 1.080 443 D CB 0.582 41.514 40.800 0.221 0.000 1.186 443 D HN 0.421 nan 8.370 nan 0.000 0.619 444 N N 1.139 119.958 118.700 0.199 0.000 3.050 444 N HA 0.153 5.084 4.740 0.318 0.000 0.289 444 N C -0.556 175.034 175.510 0.133 0.000 1.209 444 N CA 0.213 53.355 53.050 0.153 0.000 1.154 444 N CB 0.121 38.648 38.487 0.067 0.000 1.444 444 N HN 0.285 nan 8.380 nan 0.000 0.529 445 E N -1.187 119.133 120.200 0.201 0.000 2.458 445 E HA 0.430 4.970 4.350 0.318 0.000 0.278 445 E C -0.936 175.713 176.600 0.082 0.000 1.004 445 E CA -0.991 55.444 56.400 0.060 0.000 0.823 445 E CB 1.665 31.291 29.700 -0.123 0.000 1.396 445 E HN -0.120 nan 8.360 nan 0.000 0.463 446 V N 1.830 121.747 119.914 0.006 0.000 2.432 446 V HA 0.303 4.614 4.120 0.318 0.000 0.275 446 V C -0.997 175.070 176.094 -0.044 0.000 1.043 446 V CA -0.224 62.145 62.300 0.114 0.000 0.925 446 V CB -0.313 31.677 31.823 0.279 0.000 0.985 446 V HN 0.493 nan 8.190 nan 0.000 0.466 447 Y N 3.632 124.040 120.300 0.180 0.000 2.549 447 Y HA 0.729 5.519 4.550 0.400 0.000 0.339 447 Y C 0.488 176.484 175.900 0.159 0.000 1.053 447 Y CA -0.941 57.272 58.100 0.188 0.000 1.105 447 Y CB 1.973 40.601 38.460 0.281 0.000 1.258 447 Y HN 0.468 nan 8.280 nan 0.000 0.478 448 R N 1.149 121.841 120.500 0.320 0.000 2.803 448 R HA 0.618 5.148 4.340 0.318 0.000 0.276 448 R C -1.471 174.949 176.300 0.199 0.000 0.978 448 R CA -1.091 55.139 56.100 0.215 0.000 0.939 448 R CB 1.857 32.255 30.300 0.163 0.000 1.179 448 R HN 0.523 nan 8.270 nan 0.000 0.472 449 L N 3.167 124.470 121.223 0.132 0.000 2.417 449 L HA 0.338 4.868 4.340 0.318 0.000 0.268 449 L C -1.652 175.242 176.870 0.041 0.000 1.158 449 L CA -1.821 53.070 54.840 0.084 0.000 0.819 449 L CB 0.185 42.268 42.059 0.039 0.000 1.112 449 L HN 0.338 nan 8.230 nan 0.000 0.458 450 P HA 0.004 nan 4.420 nan 0.000 0.271 450 P C 0.064 177.314 177.300 -0.084 0.000 1.233 450 P CA -0.421 62.659 63.100 -0.033 0.000 0.789 450 P CB 0.929 32.601 31.700 -0.047 0.000 0.951 451 K N 0.544 120.955 120.400 0.019 0.000 2.103 451 K HA -0.215 4.296 4.320 0.318 0.000 0.207 451 K C 2.236 178.848 176.600 0.021 0.000 1.048 451 K CA 1.470 57.790 56.287 0.055 0.000 0.930 451 K CB -0.463 32.108 32.500 0.117 0.000 0.716 451 K HN 0.590 nan 8.250 nan 0.000 0.444 452 H N 0.238 119.327 119.070 0.032 0.000 2.387 452 H HA -0.139 4.604 4.556 0.312 0.000 0.299 452 H C 1.968 177.314 175.328 0.030 0.000 1.099 452 H CA 1.454 57.508 56.048 0.009 0.000 1.315 452 H CB -0.477 29.281 29.762 -0.008 0.000 1.380 452 H HN 0.238 nan 8.280 nan 0.000 0.513 453 L N 0.559 121.520 121.223 -0.437 0.000 2.056 453 L HA -0.136 4.394 4.340 0.318 0.000 0.207 453 L C 2.327 179.162 176.870 -0.059 0.000 1.078 453 L CA 1.283 56.004 54.840 -0.199 0.000 0.749 453 L CB -0.358 41.560 42.059 -0.236 0.000 0.901 453 L HN 0.181 nan 8.230 nan 0.000 0.433 454 D N 0.215 120.582 120.400 -0.055 0.000 2.104 454 D HA -0.204 4.626 4.640 0.318 0.000 0.194 454 D C 2.130 178.427 176.300 -0.005 0.000 0.994 454 D CA 1.263 55.251 54.000 -0.021 0.000 0.830 454 D CB 0.032 40.827 40.800 -0.007 0.000 0.959 454 D HN 0.311 nan 8.370 nan 0.000 0.452 455 E N 0.106 120.323 120.200 0.029 0.000 2.150 455 E HA -0.145 4.395 4.350 0.318 0.000 0.193 455 E C 1.896 178.534 176.600 0.064 0.000 0.985 455 E CA 0.479 56.918 56.400 0.066 0.000 0.814 455 E CB 0.101 29.858 29.700 0.096 0.000 0.752 455 E HN 0.201 nan 8.360 nan 0.000 0.466 456 K N 1.013 121.448 120.400 0.059 0.000 1.991 456 K HA -0.170 4.341 4.320 0.318 0.000 0.212 456 K C 2.095 178.717 176.600 0.038 0.000 1.049 456 K CA 1.517 57.840 56.287 0.059 0.000 0.932 456 K CB -0.146 32.400 32.500 0.076 0.000 0.717 456 K HN -0.032 nan 8.250 nan 0.000 0.441 457 V N 1.478 121.413 119.914 0.034 0.000 2.380 457 V HA -0.284 4.027 4.120 0.318 0.000 0.251 457 V C 2.507 178.656 176.094 0.092 0.000 1.063 457 V CA 2.097 64.428 62.300 0.051 0.000 1.055 457 V CB -0.830 31.015 31.823 0.037 0.000 0.657 457 V HN 0.546 nan 8.190 nan 0.000 0.455 458 A N -0.159 122.671 122.820 0.017 0.000 1.897 458 A HA -0.207 4.303 4.320 0.318 0.000 0.215 458 A C 2.419 180.031 177.584 0.045 0.000 1.181 458 A CA 1.752 53.779 52.037 -0.018 0.000 0.620 458 A CB -0.539 18.415 19.000 -0.077 0.000 0.821 458 A HN 0.483 nan 8.150 nan 0.000 0.443 459 R N -0.086 120.443 120.500 0.049 0.000 2.096 459 R HA -0.109 4.422 4.340 0.318 0.000 0.235 459 R C 1.876 178.183 176.300 0.013 0.000 1.127 459 R CA 1.681 57.813 56.100 0.053 0.000 0.968 459 R CB -0.463 29.876 30.300 0.066 0.000 0.861 459 R HN 0.550 nan 8.270 nan 0.000 0.440 460 I N 0.032 120.571 120.570 -0.053 0.000 2.151 460 I HA -0.327 4.034 4.170 0.318 0.000 0.243 460 I C 1.907 177.879 176.117 -0.241 0.000 1.080 460 I CA 1.896 63.081 61.300 -0.191 0.000 1.339 460 I CB -0.374 37.418 38.000 -0.346 0.000 1.039 460 I HN 0.348 nan 8.210 nan 0.000 0.409 461 H N -0.786 118.257 119.070 -0.045 0.000 2.436 461 H HA -0.042 4.703 4.556 0.316 0.000 0.294 461 H C 2.234 177.654 175.328 0.155 0.000 1.048 461 H CA 0.948 57.009 56.048 0.022 0.000 1.353 461 H CB -0.218 29.451 29.762 -0.155 0.000 1.414 461 H HN 0.053 nan 8.280 nan 0.000 0.536 462 V N 1.038 121.053 119.914 0.168 0.000 2.295 462 V HA -0.239 4.072 4.120 0.318 0.000 0.246 462 V C 2.184 178.351 176.094 0.121 0.000 1.049 462 V CA 1.828 64.212 62.300 0.140 0.000 1.024 462 V CB -0.213 31.672 31.823 0.103 0.000 0.648 462 V HN 0.458 nan 8.190 nan 0.000 0.447 463 E N 0.448 120.702 120.200 0.090 0.000 2.038 463 E HA -0.234 4.307 4.350 0.318 0.000 0.195 463 E C 2.393 179.043 176.600 0.083 0.000 1.000 463 E CA 1.633 58.077 56.400 0.074 0.000 0.803 463 E CB -0.777 28.949 29.700 0.043 0.000 0.750 463 E HN 0.559 nan 8.360 nan 0.000 0.448 464 A N 1.168 124.052 122.820 0.107 0.000 1.986 464 A HA -0.176 4.334 4.320 0.318 0.000 0.220 464 A C 2.340 180.013 177.584 0.149 0.000 1.171 464 A CA 1.281 53.416 52.037 0.163 0.000 0.640 464 A CB -0.671 18.500 19.000 0.284 0.000 0.811 464 A HN 0.201 nan 8.150 nan 0.000 0.451 465 L N -2.139 119.172 121.223 0.147 0.000 2.341 465 L HA 0.138 4.669 4.340 0.318 0.000 0.214 465 L C 1.743 178.627 176.870 0.024 0.000 1.115 465 L CA 0.707 55.566 54.840 0.032 0.000 0.820 465 L CB -0.143 41.935 42.059 0.032 0.000 0.944 465 L HN 0.631 nan 8.230 nan 0.000 0.452 466 G N -0.211 108.618 108.800 0.050 0.000 2.134 466 G HA2 -0.185 3.965 3.960 0.318 0.000 0.209 466 G HA3 -0.185 3.965 3.960 0.318 0.000 0.209 466 G C 0.441 175.374 174.900 0.055 0.000 0.993 466 G CA -0.247 44.875 45.100 0.037 0.000 0.669 466 G HN 0.483 nan 8.290 nan 0.000 0.519 467 G N -0.513 108.334 108.800 0.077 0.000 2.390 467 G HA2 0.510 4.661 3.960 0.318 0.000 0.270 467 G HA3 0.510 4.661 3.960 0.318 0.000 0.270 467 G C -0.370 174.619 174.900 0.148 0.000 1.211 467 G CA -0.119 45.039 45.100 0.097 0.000 0.842 467 G HN 0.557 nan 8.290 nan 0.000 0.519 468 H N 3.344 122.427 119.070 0.022 0.000 2.623 468 H HA 0.306 5.053 4.556 0.317 0.000 0.299 468 H C -0.141 175.195 175.328 0.014 0.000 1.052 468 H CA -0.761 55.297 56.048 0.017 0.000 1.231 468 H CB 0.755 30.524 29.762 0.012 0.000 1.389 468 H HN 0.211 nan 8.280 nan 0.000 0.469 469 L N 4.210 125.390 121.223 -0.072 0.000 2.397 469 L HA 0.100 4.630 4.340 0.318 0.000 0.271 469 L C 0.776 177.493 176.870 -0.256 0.000 1.148 469 L CA -0.107 54.664 54.840 -0.116 0.000 0.825 469 L CB 1.183 43.219 42.059 -0.038 0.000 1.117 469 L HN 0.623 nan 8.230 nan 0.000 0.456 470 T N 2.894 117.330 114.554 -0.196 0.000 2.897 470 T HA 0.167 4.707 4.350 0.318 0.000 0.294 470 T C -0.055 174.558 174.700 -0.145 0.000 1.004 470 T CA -0.388 61.599 62.100 -0.188 0.000 1.106 470 T CB 0.903 69.687 68.868 -0.139 0.000 0.949 470 T HN 0.384 nan 8.240 nan 0.000 0.520 471 K N 3.521 123.854 120.400 -0.112 0.000 2.235 471 K HA 0.414 4.924 4.320 0.318 0.000 0.266 471 K C -0.512 176.058 176.600 -0.050 0.000 0.980 471 K CA -0.661 55.588 56.287 -0.063 0.000 0.849 471 K CB 0.706 33.186 32.500 -0.032 0.000 1.098 471 K HN 0.511 nan 8.250 nan 0.000 0.445 472 L N 3.549 124.752 121.223 -0.034 0.000 2.456 472 L HA 0.072 4.603 4.340 0.318 0.000 0.272 472 L C 1.061 177.931 176.870 -0.000 0.000 1.189 472 L CA -0.086 54.742 54.840 -0.020 0.000 0.846 472 L CB 0.856 42.922 42.059 0.011 0.000 1.111 472 L HN 0.816 nan 8.230 nan 0.000 0.475 473 T N -0.930 113.619 114.554 -0.008 0.000 2.766 473 T HA 0.071 4.612 4.350 0.318 0.000 0.295 473 T C 0.994 175.703 174.700 0.016 0.000 1.024 473 T CA -0.554 61.546 62.100 -0.001 0.000 1.018 473 T CB 1.023 69.883 68.868 -0.013 0.000 1.002 473 T HN 0.671 nan 8.240 nan 0.000 0.532 474 K N 0.270 120.681 120.400 0.018 0.000 2.097 474 K HA -0.144 4.366 4.320 0.318 0.000 0.206 474 K C 2.160 178.780 176.600 0.034 0.000 1.049 474 K CA 1.549 57.852 56.287 0.027 0.000 0.933 474 K CB -0.147 32.366 32.500 0.022 0.000 0.717 474 K HN 0.761 nan 8.250 nan 0.000 0.442 475 E N 0.232 120.447 120.200 0.024 0.000 2.106 475 E HA -0.197 4.343 4.350 0.318 0.000 0.192 475 E C 2.149 178.782 176.600 0.055 0.000 0.984 475 E CA 1.149 57.569 56.400 0.034 0.000 0.806 475 E CB 0.109 29.813 29.700 0.008 0.000 0.750 475 E HN 0.426 nan 8.360 nan 0.000 0.458 476 Q N 0.034 119.849 119.800 0.026 0.000 2.083 476 Q HA -0.057 4.474 4.340 0.318 0.000 0.198 476 Q C 2.210 178.270 176.000 0.101 0.000 0.969 476 Q CA 1.064 56.888 55.803 0.035 0.000 0.838 476 Q CB -0.063 28.664 28.738 -0.018 0.000 0.900 476 Q HN 0.188 nan 8.270 nan 0.000 0.436 477 A N 1.468 124.337 122.820 0.083 0.000 1.902 477 A HA -0.269 4.241 4.320 0.318 0.000 0.217 477 A C 1.957 179.600 177.584 0.098 0.000 1.181 477 A CA 1.685 53.781 52.037 0.097 0.000 0.623 477 A CB -0.534 18.518 19.000 0.088 0.000 0.818 477 A HN 0.451 nan 8.150 nan 0.000 0.443 478 E N -1.644 118.612 120.200 0.094 0.000 2.077 478 E HA -0.255 4.285 4.350 0.318 0.000 0.193 478 E C 1.844 178.511 176.600 0.112 0.000 0.989 478 E CA 1.449 57.901 56.400 0.086 0.000 0.800 478 E CB -0.356 29.391 29.700 0.077 0.000 0.746 478 E HN 0.692 nan 8.360 nan 0.000 0.452 479 Y N 0.727 121.033 120.300 0.009 0.000 2.224 479 Y HA -0.141 4.599 4.550 0.317 0.000 0.289 479 Y C 1.871 177.775 175.900 0.007 0.000 1.146 479 Y CA 1.509 59.613 58.100 0.006 0.000 1.182 479 Y CB 0.120 38.582 38.460 0.003 0.000 0.983 479 Y HN 0.074 nan 8.280 nan 0.000 0.524 480 L N -1.255 120.062 121.223 0.155 0.000 2.446 480 L HA 0.164 4.694 4.340 0.318 0.000 0.219 480 L C 1.535 178.421 176.870 0.026 0.000 1.116 480 L CA 0.683 55.571 54.840 0.079 0.000 0.844 480 L CB -0.441 41.682 42.059 0.108 0.000 0.970 480 L HN 0.419 nan 8.230 nan 0.000 0.457 481 G N 1.325 110.142 108.800 0.028 0.000 2.198 481 G HA2 -0.223 3.927 3.960 0.318 0.000 0.257 481 G HA3 -0.223 3.927 3.960 0.318 0.000 0.257 481 G C 0.012 174.929 174.900 0.030 0.000 1.042 481 G CA 0.347 45.457 45.100 0.016 0.000 0.791 481 G HN 0.300 nan 8.290 nan 0.000 0.502 482 V N -3.763 116.184 119.914 0.056 0.000 2.962 482 V HA 0.837 5.148 4.120 0.318 0.000 0.313 482 V C -0.159 175.975 176.094 0.066 0.000 1.099 482 V CA -1.632 60.707 62.300 0.065 0.000 0.971 482 V CB 2.159 34.064 31.823 0.137 0.000 1.028 482 V HN 0.017 nan 8.190 nan 0.000 0.430 483 D N 1.536 121.951 120.400 0.025 0.000 2.389 483 D HA 0.344 5.174 4.640 0.318 0.000 0.247 483 D C 1.291 177.643 176.300 0.088 0.000 1.128 483 D CA 0.042 54.056 54.000 0.023 0.000 0.884 483 D CB 1.870 42.650 40.800 -0.033 0.000 1.194 483 D HN 0.437 nan 8.370 nan 0.000 0.441 484 V N 2.957 122.939 119.914 0.113 0.000 2.313 484 V HA -0.296 4.015 4.120 0.318 0.000 0.253 484 V C 1.861 178.095 176.094 0.233 0.000 1.070 484 V CA 1.881 64.289 62.300 0.180 0.000 1.057 484 V CB -0.434 31.449 31.823 0.101 0.000 0.653 484 V HN 0.635 nan 8.190 nan 0.000 0.450 485 E N -0.474 119.770 120.200 0.073 0.000 2.481 485 E HA 0.314 4.855 4.350 0.318 0.000 0.195 485 E C 1.122 177.588 176.600 -0.224 0.000 1.047 485 E CA 0.502 56.910 56.400 0.013 0.000 0.867 485 E CB 0.155 29.847 29.700 -0.012 0.000 0.858 485 E HN 0.695 nan 8.360 nan 0.000 0.513 486 G N 1.910 110.408 108.800 -0.503 0.000 2.685 486 G HA2 -0.190 3.960 3.960 0.318 0.000 0.387 486 G HA3 -0.190 3.960 3.960 0.318 0.000 0.387 486 G C -2.576 172.101 174.900 -0.372 0.000 1.324 486 G CA -1.136 43.406 45.100 -0.930 0.000 0.878 486 G HN -0.043 nan 8.290 nan 0.000 0.527 487 P HA 0.261 nan 4.420 nan 0.000 0.267 487 P C 0.024 177.094 177.300 -0.383 0.000 1.195 487 P CA 0.365 63.294 63.100 -0.285 0.000 0.773 487 P CB 0.059 31.727 31.700 -0.053 0.000 0.837 488 Y N -0.317 120.007 120.300 0.040 0.000 2.458 488 Y HA 0.210 4.952 4.550 0.320 0.000 0.254 488 Y C 0.956 176.805 175.900 -0.084 0.000 1.120 488 Y CA 0.498 58.593 58.100 -0.008 0.000 1.282 488 Y CB 0.269 38.731 38.460 0.003 0.000 1.109 488 Y HN 0.057 nan 8.280 nan 0.000 0.526 489 K N 1.091 121.503 120.400 0.021 0.000 2.385 489 K HA 0.401 4.911 4.320 0.318 0.000 0.248 489 K C -2.794 173.747 176.600 -0.099 0.000 0.955 489 K CA -1.935 54.253 56.287 -0.166 0.000 0.816 489 K CB 1.577 33.874 32.500 -0.337 0.000 1.250 489 K HN -0.147 nan 8.250 nan 0.000 0.434 490 P HA 0.041 nan 4.420 nan 0.000 0.270 490 P C 0.153 177.399 177.300 -0.089 0.000 1.223 490 P CA 0.027 63.047 63.100 -0.133 0.000 0.785 490 P CB 0.728 32.257 31.700 -0.285 0.000 0.923 491 D N -0.156 120.260 120.400 0.027 0.000 2.123 491 D HA -0.215 4.616 4.640 0.318 0.000 0.196 491 D C 1.685 178.058 176.300 0.121 0.000 0.992 491 D CA 1.512 55.573 54.000 0.101 0.000 0.833 491 D CB -0.478 40.401 40.800 0.133 0.000 0.954 491 D HN 0.649 nan 8.370 nan 0.000 0.455 492 H N -2.470 116.663 119.070 0.106 0.000 2.567 492 H HA -0.009 4.737 4.556 0.317 0.000 0.276 492 H C 0.152 175.540 175.328 0.100 0.000 1.016 492 H CA 0.001 56.103 56.048 0.090 0.000 1.186 492 H CB -0.807 28.991 29.762 0.061 0.000 1.351 492 H HN 0.163 nan 8.280 nan 0.000 0.605 493 Y N 2.249 122.357 120.300 -0.319 0.000 2.597 493 Y HA 0.063 4.802 4.550 0.316 0.000 0.336 493 Y C 1.008 176.785 175.900 -0.205 0.000 1.216 493 Y CA -0.210 57.673 58.100 -0.361 0.000 1.463 493 Y CB 0.615 38.759 38.460 -0.527 0.000 1.303 493 Y HN 0.129 nan 8.280 nan 0.000 0.576 494 R N 3.575 123.558 120.500 -0.861 0.000 2.365 494 R HA 0.097 4.627 4.340 0.318 0.000 0.223 494 R C -0.730 175.386 176.300 -0.306 0.000 0.899 494 R CA -0.143 55.712 56.100 -0.407 0.000 1.059 494 R CB 0.045 30.191 30.300 -0.257 0.000 1.086 494 R HN 0.823 nan 8.270 nan 0.000 0.522 495 Y N 0.000 119.828 120.300 -0.786 0.000 2.660 495 Y HA 0.000 4.740 4.550 0.317 0.000 0.201 495 Y CA 0.000 57.928 58.100 -0.287 0.000 1.940 495 Y CB 0.000 38.466 38.460 0.009 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758