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 2ziz_1_A 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 0.000 176.740 176.870 -0.216 0.000 1.165 11 L CA 0.000 54.550 54.840 -0.483 0.000 0.813 11 L CB 0.000 41.400 42.059 -1.098 0.000 0.961 12 T N 1.055 115.579 114.554 -0.050 0.000 2.916 12 T HA 0.680 5.029 4.350 -0.001 0.000 0.298 12 T C -2.873 172.021 174.700 0.324 0.000 1.031 12 T CA -1.829 60.413 62.100 0.237 0.000 0.993 12 T CB 1.926 70.851 68.868 0.095 0.000 1.045 12 T HN 0.219 nan 8.240 nan 0.000 0.454 13 P HA 0.280 nan 4.420 nan 0.000 0.270 13 P C -0.679 176.618 177.300 -0.006 0.000 1.223 13 P CA -0.207 63.108 63.100 0.359 0.000 0.785 13 P CB 0.465 32.391 31.700 0.375 0.000 0.923 14 D N 0.035 120.245 120.400 -0.316 0.000 2.210 14 D HA 0.332 4.971 4.640 -0.001 0.000 0.249 14 D C -0.493 175.384 176.300 -0.706 0.000 1.062 14 D CA -0.051 53.610 54.000 -0.566 0.000 0.891 14 D CB 1.322 41.626 40.800 -0.827 0.000 1.186 14 D HN -0.022 nan 8.370 nan 0.000 0.432 15 V N 2.474 122.188 119.914 -0.333 0.000 2.531 15 V HA 0.472 4.592 4.120 -0.001 0.000 0.301 15 V C -0.153 175.966 176.094 0.041 0.000 1.034 15 V CA -0.735 61.498 62.300 -0.112 0.000 0.865 15 V CB 1.940 33.746 31.823 -0.027 0.000 0.995 15 V HN 0.390 nan 8.190 nan 0.000 0.424 16 R N 3.674 124.323 120.500 0.248 0.000 2.510 16 R HA 0.486 4.826 4.340 -0.001 0.000 0.294 16 R C 0.202 176.601 176.300 0.165 0.000 1.056 16 R CA -0.369 55.876 56.100 0.242 0.000 0.918 16 R CB 0.665 31.195 30.300 0.384 0.000 1.187 16 R HN 0.720 nan 8.270 nan 0.000 0.437 17 N N 2.946 121.700 118.700 0.091 0.000 2.727 17 N HA -0.207 4.533 4.740 -0.001 0.000 0.249 17 N C 0.459 176.004 175.510 0.058 0.000 1.048 17 N CA 1.970 55.055 53.050 0.058 0.000 0.714 17 N CB -1.030 37.479 38.487 0.037 0.000 0.959 17 N HN 1.063 nan 8.380 nan 0.000 0.544 18 G N -1.497 107.342 108.800 0.065 0.000 2.179 18 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.260 18 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.260 18 G C 0.185 175.126 174.900 0.067 0.000 0.977 18 G CA 0.397 45.530 45.100 0.056 0.000 0.641 18 G HN 0.562 nan 8.290 nan 0.000 0.533 19 I N 2.884 123.516 120.570 0.103 0.000 2.307 19 I HA 0.287 4.456 4.170 -0.001 0.000 0.289 19 I C -0.138 176.130 176.117 0.252 0.000 1.021 19 I CA -1.025 60.357 61.300 0.136 0.000 1.224 19 I CB 1.012 39.065 38.000 0.089 0.000 1.376 19 I HN 0.209 nan 8.210 nan 0.000 0.470 20 D N 7.514 128.002 120.400 0.147 0.000 2.389 20 D HA 0.370 5.010 4.640 -0.001 0.000 0.247 20 D C -0.526 175.789 176.300 0.025 0.000 1.128 20 D CA 0.095 54.149 54.000 0.091 0.000 0.884 20 D CB 1.100 41.994 40.800 0.156 0.000 1.194 20 D HN 0.358 nan 8.370 nan 0.000 0.441 21 F N -1.725 118.035 119.950 -0.317 0.000 2.817 21 F HA 0.697 5.224 4.527 -0.001 0.000 0.317 21 F C -1.319 174.215 175.800 -0.444 0.000 1.168 21 F CA -1.438 56.074 58.000 -0.813 0.000 0.911 21 F CB 1.427 40.163 39.000 -0.440 0.000 1.337 21 F HN 0.263 nan 8.300 nan 0.000 0.464 22 K N 2.072 122.346 120.400 -0.210 0.000 2.615 22 K HA 0.768 5.087 4.320 -0.001 0.000 0.249 22 K C -1.666 175.149 176.600 0.359 0.000 0.977 22 K CA -0.362 56.063 56.287 0.229 0.000 0.833 22 K CB 1.582 34.513 32.500 0.718 0.000 1.208 22 K HN 0.932 nan 8.250 nan 0.000 0.443 23 I N -0.043 120.680 120.570 0.255 0.000 3.181 23 I HA 0.690 4.860 4.170 -0.001 0.000 0.311 23 I C 0.389 176.565 176.117 0.097 0.000 1.287 23 I CA -1.080 60.389 61.300 0.282 0.000 0.958 23 I CB 1.856 39.996 38.000 0.235 0.000 1.294 23 I HN 0.481 nan 8.210 nan 0.000 0.467 24 A N 1.048 123.953 122.820 0.142 0.000 1.858 24 A HA -0.037 4.283 4.320 -0.001 0.000 0.216 24 A C 0.572 178.180 177.584 0.040 0.000 1.190 24 A CA 2.311 54.374 52.037 0.044 0.000 0.617 24 A CB -0.464 18.625 19.000 0.148 0.000 0.827 24 A HN 0.875 nan 8.150 nan 0.000 0.443 25 D N -2.584 117.865 120.400 0.080 0.000 2.419 25 D HA 0.291 4.930 4.640 -0.001 0.000 0.219 25 D C 0.019 176.355 176.300 0.062 0.000 1.349 25 D CA -0.542 53.499 54.000 0.069 0.000 0.964 25 D CB 0.766 41.609 40.800 0.072 0.000 1.463 25 D HN -0.070 nan 8.370 nan 0.000 0.573 26 L N 3.035 124.287 121.223 0.048 0.000 2.201 26 L HA -0.019 4.320 4.340 -0.001 0.000 0.212 26 L C 2.181 179.054 176.870 0.004 0.000 1.105 26 L CA 1.971 56.807 54.840 -0.006 0.000 0.775 26 L CB -0.632 41.423 42.059 -0.007 0.000 0.913 26 L HN 0.546 nan 8.230 nan 0.000 0.440 27 S N -1.614 114.105 115.700 0.032 0.000 2.507 27 S HA -0.115 4.354 4.470 -0.001 0.000 0.235 27 S C 1.786 176.425 174.600 0.065 0.000 0.988 27 S CA 0.605 58.828 58.200 0.039 0.000 0.944 27 S CB -0.607 62.617 63.200 0.040 0.000 0.762 27 S HN 0.490 nan 8.310 nan 0.000 0.526 28 L N 0.675 121.949 121.223 0.085 0.000 2.610 28 L HA 0.197 4.536 4.340 -0.001 0.000 0.232 28 L C 2.772 179.718 176.870 0.128 0.000 1.149 28 L CA 0.493 55.423 54.840 0.149 0.000 0.872 28 L CB -0.575 41.593 42.059 0.181 0.000 0.992 28 L HN 0.478 nan 8.230 nan 0.000 0.447 29 A N 0.113 122.964 122.820 0.052 0.000 1.972 29 A HA -0.207 4.113 4.320 -0.001 0.000 0.219 29 A C 1.802 179.403 177.584 0.029 0.000 1.169 29 A CA 1.773 53.812 52.037 0.003 0.000 0.635 29 A CB -0.263 18.709 19.000 -0.046 0.000 0.810 29 A HN 0.328 nan 8.150 nan 0.000 0.446 30 D N -0.990 119.452 120.400 0.070 0.000 2.117 30 D HA -0.103 4.537 4.640 -0.001 0.000 0.198 30 D C 1.557 177.958 176.300 0.167 0.000 0.982 30 D CA 1.097 55.150 54.000 0.088 0.000 0.828 30 D CB -0.466 40.381 40.800 0.079 0.000 0.967 30 D HN 0.438 nan 8.370 nan 0.000 0.464 31 F N 1.919 121.896 119.950 0.044 0.000 2.102 31 F HA -0.008 4.519 4.527 -0.001 0.000 0.298 31 F C 2.230 178.120 175.800 0.149 0.000 1.105 31 F CA 1.703 59.744 58.000 0.068 0.000 1.239 31 F CB -0.886 38.138 39.000 0.040 0.000 0.991 31 F HN -0.020 nan 8.300 nan 0.000 0.474 32 G N 0.444 109.217 108.800 -0.044 0.000 2.599 32 G HA2 -0.435 3.525 3.960 -0.001 0.000 0.219 32 G HA3 -0.435 3.525 3.960 -0.001 0.000 0.219 32 G C 1.811 176.645 174.900 -0.111 0.000 1.193 32 G CA 1.359 46.365 45.100 -0.157 0.000 0.778 32 G HN 0.385 nan 8.290 nan 0.000 0.589 33 R N 0.903 121.375 120.500 -0.046 0.000 2.096 33 R HA 0.034 4.373 4.340 -0.001 0.000 0.235 33 R C 2.481 178.779 176.300 -0.004 0.000 1.127 33 R CA 1.775 57.849 56.100 -0.044 0.000 0.968 33 R CB -0.494 29.784 30.300 -0.038 0.000 0.861 33 R HN 0.404 nan 8.270 nan 0.000 0.440 34 K N 0.169 120.599 120.400 0.050 0.000 2.103 34 K HA -0.147 4.172 4.320 -0.001 0.000 0.207 34 K C 1.967 178.607 176.600 0.066 0.000 1.048 34 K CA 1.787 58.123 56.287 0.082 0.000 0.930 34 K CB -0.074 32.520 32.500 0.157 0.000 0.716 34 K HN 0.347 nan 8.250 nan 0.000 0.444 35 E N 0.320 120.541 120.200 0.035 0.000 2.158 35 E HA -0.116 4.233 4.350 -0.001 0.000 0.191 35 E C 1.888 178.489 176.600 0.002 0.000 0.982 35 E CA 0.608 57.023 56.400 0.025 0.000 0.823 35 E CB 0.098 29.789 29.700 -0.015 0.000 0.766 35 E HN 0.109 nan 8.360 nan 0.000 0.468 36 L N 0.813 122.012 121.223 -0.039 0.000 2.093 36 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 36 L C 2.257 179.132 176.870 0.009 0.000 1.085 36 L CA 1.462 56.277 54.840 -0.042 0.000 0.755 36 L CB -0.364 41.642 42.059 -0.088 0.000 0.904 36 L HN -0.013 nan 8.230 nan 0.000 0.435 37 R N -0.698 119.822 120.500 0.033 0.000 2.090 37 R HA -0.045 4.295 4.340 -0.001 0.000 0.228 37 R C 2.268 178.687 176.300 0.199 0.000 1.110 37 R CA 1.160 57.316 56.100 0.094 0.000 0.973 37 R CB -0.431 29.919 30.300 0.083 0.000 0.869 37 R HN 0.305 nan 8.270 nan 0.000 0.440 38 I N 0.888 121.535 120.570 0.128 0.000 2.226 38 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 38 I C 2.621 178.838 176.117 0.165 0.000 1.100 38 I CA 1.320 62.694 61.300 0.123 0.000 1.374 38 I CB -0.388 37.652 38.000 0.066 0.000 1.057 38 I HN 0.159 nan 8.210 nan 0.000 0.413 39 A N 0.376 123.262 122.820 0.110 0.000 1.972 39 A HA -0.211 4.108 4.320 -0.001 0.000 0.219 39 A C 2.177 179.819 177.584 0.096 0.000 1.169 39 A CA 1.519 53.613 52.037 0.095 0.000 0.635 39 A CB -0.583 18.448 19.000 0.052 0.000 0.810 39 A HN 0.449 nan 8.150 nan 0.000 0.446 40 E N -0.829 119.416 120.200 0.075 0.000 2.097 40 E HA -0.273 4.077 4.350 -0.001 0.000 0.196 40 E C 1.773 178.360 176.600 -0.021 0.000 1.000 40 E CA 1.763 58.163 56.400 -0.000 0.000 0.804 40 E CB -0.346 29.314 29.700 -0.066 0.000 0.740 40 E HN 0.845 nan 8.360 nan 0.000 0.454 41 H N 0.138 119.234 119.070 0.043 0.000 2.457 41 H HA -0.002 4.553 4.556 -0.001 0.000 0.294 41 H C 1.488 176.884 175.328 0.115 0.000 1.064 41 H CA 0.904 56.989 56.048 0.063 0.000 1.330 41 H CB 0.242 30.037 29.762 0.054 0.000 1.395 41 H HN 0.029 nan 8.280 nan 0.000 0.541 42 E N -0.027 120.322 120.200 0.249 0.000 2.479 42 E HA 0.091 4.440 4.350 -0.001 0.000 0.193 42 E C -0.032 176.689 176.600 0.202 0.000 1.049 42 E CA 0.272 56.860 56.400 0.314 0.000 0.870 42 E CB 0.353 30.206 29.700 0.254 0.000 0.944 42 E HN 0.543 nan 8.360 nan 0.000 0.492 43 M N 1.452 121.091 119.600 0.066 0.000 3.003 43 M HA 0.177 4.657 4.480 -0.001 0.000 0.221 43 M C -1.893 174.364 176.300 -0.072 0.000 1.126 43 M CA -1.380 53.901 55.300 -0.032 0.000 0.778 43 M CB 1.414 34.020 32.600 0.010 0.000 1.380 43 M HN -0.230 nan 8.290 nan 0.000 0.508 44 P HA -0.078 nan 4.420 nan 0.000 0.225 44 P C 1.316 178.475 177.300 -0.234 0.000 1.148 44 P CA 1.256 64.249 63.100 -0.179 0.000 0.779 44 P CB 0.160 31.732 31.700 -0.213 0.000 0.780 45 G N 0.521 109.180 108.800 -0.235 0.000 2.402 45 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.216 45 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.216 45 G C 1.621 176.512 174.900 -0.016 0.000 1.162 45 G CA 0.346 45.386 45.100 -0.100 0.000 0.777 45 G HN 0.230 nan 8.290 nan 0.000 0.539 46 L N -0.008 121.215 121.223 -0.001 0.000 2.095 46 L HA 0.053 4.392 4.340 -0.001 0.000 0.204 46 L C 2.936 179.800 176.870 -0.011 0.000 1.080 46 L CA 0.422 55.268 54.840 0.010 0.000 0.759 46 L CB -0.261 41.808 42.059 0.018 0.000 0.914 46 L HN 0.095 nan 8.230 nan 0.000 0.439 47 M N -0.643 118.935 119.600 -0.036 0.000 2.279 47 M HA -0.141 4.338 4.480 -0.001 0.000 0.264 47 M C 2.520 178.801 176.300 -0.032 0.000 1.062 47 M CA 1.501 56.774 55.300 -0.045 0.000 1.099 47 M CB -1.341 31.215 32.600 -0.074 0.000 1.394 47 M HN 0.281 nan 8.290 nan 0.000 0.426 48 S N -0.073 115.606 115.700 -0.035 0.000 2.446 48 S HA 0.054 4.524 4.470 -0.001 0.000 0.225 48 S C 1.884 176.502 174.600 0.029 0.000 1.016 48 S CA 0.259 58.447 58.200 -0.021 0.000 0.943 48 S CB 0.037 63.208 63.200 -0.048 0.000 0.786 48 S HN 0.476 nan 8.310 nan 0.000 0.508 49 L N 0.561 121.821 121.223 0.060 0.000 2.179 49 L HA 0.158 4.498 4.340 -0.001 0.000 0.208 49 L C 2.920 179.882 176.870 0.153 0.000 1.096 49 L CA 0.682 55.617 54.840 0.157 0.000 0.779 49 L CB -0.333 41.797 42.059 0.117 0.000 0.922 49 L HN 0.230 nan 8.230 nan 0.000 0.443 50 R N -0.083 120.457 120.500 0.067 0.000 2.081 50 R HA -0.130 4.209 4.340 -0.001 0.000 0.235 50 R C 2.448 178.781 176.300 0.055 0.000 1.131 50 R CA 1.352 57.483 56.100 0.052 0.000 0.960 50 R CB -0.225 30.080 30.300 0.009 0.000 0.856 50 R HN 0.317 nan 8.270 nan 0.000 0.436 51 R N 0.376 120.893 120.500 0.029 0.000 2.062 51 R HA -0.155 4.185 4.340 -0.001 0.000 0.231 51 R C 2.342 178.633 176.300 -0.015 0.000 1.136 51 R CA 1.606 57.709 56.100 0.005 0.000 0.948 51 R CB -0.311 29.981 30.300 -0.013 0.000 0.845 51 R HN 0.337 nan 8.270 nan 0.000 0.430 52 E N -0.135 120.045 120.200 -0.032 0.000 2.160 52 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 52 E C 0.601 177.024 176.600 -0.295 0.000 0.991 52 E CA 1.281 57.580 56.400 -0.169 0.000 0.810 52 E CB 0.130 29.713 29.700 -0.194 0.000 0.742 52 E HN 0.399 nan 8.360 nan 0.000 0.466 53 Y N -1.318 118.985 120.300 0.004 0.000 2.557 53 Y HA 0.425 4.974 4.550 -0.001 0.000 0.247 53 Y C 1.662 177.567 175.900 0.008 0.000 1.164 53 Y CA 0.155 58.261 58.100 0.010 0.000 1.218 53 Y CB 0.619 39.087 38.460 0.013 0.000 1.210 53 Y HN 0.140 nan 8.280 nan 0.000 0.529 54 A N -0.049 122.836 122.820 0.108 0.000 2.024 54 A HA -0.209 4.110 4.320 -0.001 0.000 0.220 54 A C 2.060 179.677 177.584 0.055 0.000 1.164 54 A CA 2.151 54.229 52.037 0.068 0.000 0.643 54 A CB -0.157 18.864 19.000 0.034 0.000 0.806 54 A HN 0.505 nan 8.150 nan 0.000 0.451 55 E N -1.106 119.121 120.200 0.046 0.000 2.244 55 E HA 0.044 4.394 4.350 -0.001 0.000 0.196 55 E C 1.677 178.311 176.600 0.056 0.000 0.939 55 E CA 0.443 56.865 56.400 0.036 0.000 0.884 55 E CB 0.298 30.005 29.700 0.012 0.000 0.850 55 E HN 0.268 nan 8.360 nan 0.000 0.481 56 V N 1.603 121.566 119.914 0.082 0.000 2.594 56 V HA -0.193 3.927 4.120 -0.001 0.000 0.253 56 V C 0.347 176.519 176.094 0.130 0.000 1.069 56 V CA 1.024 63.395 62.300 0.118 0.000 1.082 56 V CB -0.344 31.593 31.823 0.191 0.000 0.680 56 V HN 0.406 nan 8.190 nan 0.000 0.469 57 Q N -1.122 118.753 119.800 0.125 0.000 2.426 57 Q HA -0.211 4.129 4.340 -0.001 0.000 0.359 57 Q C -1.393 174.671 176.000 0.106 0.000 1.381 57 Q CA 1.059 56.919 55.803 0.095 0.000 1.060 57 Q CB -1.334 27.445 28.738 0.068 0.000 1.253 57 Q HN 0.515 nan 8.270 nan 0.000 0.363 58 P HA -0.096 nan 4.420 nan 0.000 0.226 58 P C 1.082 178.476 177.300 0.156 0.000 1.153 58 P CA 0.763 63.939 63.100 0.127 0.000 0.777 58 P CB 0.221 31.935 31.700 0.023 0.000 0.794 59 L N -1.084 120.151 121.223 0.019 0.000 2.628 59 L HA 0.198 4.537 4.340 -0.001 0.000 0.229 59 L C 1.125 177.869 176.870 -0.209 0.000 1.137 59 L CA -0.401 54.336 54.840 -0.173 0.000 0.909 59 L CB -0.289 41.635 42.059 -0.224 0.000 1.137 59 L HN -0.099 nan 8.230 nan 0.000 0.470 60 K N 0.693 121.105 120.400 0.020 0.000 2.472 60 K HA 0.193 4.512 4.320 -0.001 0.000 0.280 60 K C 1.186 177.868 176.600 0.137 0.000 1.028 60 K CA 1.198 57.515 56.287 0.049 0.000 1.045 60 K CB 0.354 32.912 32.500 0.097 0.000 0.902 60 K HN 0.205 nan 8.250 nan 0.000 0.478 61 G N 2.045 110.852 108.800 0.011 0.000 2.241 61 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.244 61 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.244 61 G C 0.184 174.864 174.900 -0.367 0.000 0.998 61 G CA -0.021 45.115 45.100 0.060 0.000 0.621 61 G HN 0.964 nan 8.290 nan 0.000 0.519 62 A N 0.301 122.579 122.820 -0.904 0.000 2.477 62 A HA 0.672 4.992 4.320 -0.001 0.000 0.246 62 A C 0.725 177.899 177.584 -0.684 0.000 1.078 62 A CA 0.545 51.792 52.037 -1.316 0.000 0.770 62 A CB 0.175 18.412 19.000 -1.272 0.000 1.011 62 A HN 0.529 nan 8.150 nan 0.000 0.494 63 R N 2.378 122.461 120.500 -0.695 0.000 2.513 63 R HA 0.308 4.647 4.340 -0.001 0.000 0.283 63 R C -1.329 174.694 176.300 -0.461 0.000 1.535 63 R CA -0.115 55.489 56.100 -0.828 0.000 1.315 63 R CB 0.878 30.239 30.300 -1.564 0.000 1.163 63 R HN 0.723 nan 8.270 nan 0.000 0.573 64 I N 1.463 122.005 120.570 -0.047 0.000 2.337 64 I HA 0.098 4.268 4.170 -0.001 0.000 0.291 64 I C 0.380 176.674 176.117 0.295 0.000 1.046 64 I CA 0.038 61.372 61.300 0.057 0.000 1.324 64 I CB 1.475 39.489 38.000 0.024 0.000 1.409 64 I HN 0.287 nan 8.210 nan 0.000 0.494 65 S N 4.902 120.717 115.700 0.192 0.000 2.422 65 S HA 0.387 4.856 4.470 -0.001 0.000 0.283 65 S C 0.436 174.867 174.600 -0.282 0.000 1.163 65 S CA -0.582 57.663 58.200 0.075 0.000 1.054 65 S CB 0.712 63.984 63.200 0.121 0.000 0.967 65 S HN 0.799 nan 8.310 nan 0.000 0.499 66 G N 1.684 110.083 108.800 -0.668 0.000 2.343 66 G HA2 0.486 4.446 3.960 -0.001 0.000 0.319 66 G HA3 0.486 4.446 3.960 -0.001 0.000 0.319 66 G C -0.642 173.327 174.900 -1.552 0.000 1.126 66 G CA -0.461 43.651 45.100 -1.646 0.000 0.889 66 G HN 0.554 nan 8.290 nan 0.000 0.457 67 S N 2.273 117.403 115.700 -0.950 0.000 2.622 67 S HA 0.624 5.094 4.470 -0.001 0.000 0.283 67 S C -1.034 173.339 174.600 -0.378 0.000 1.197 67 S CA -0.650 57.203 58.200 -0.578 0.000 1.146 67 S CB 0.180 63.197 63.200 -0.305 0.000 1.007 67 S HN 0.495 nan 8.310 nan 0.000 0.478 68 L N 5.441 126.521 121.223 -0.237 0.000 2.705 68 L HA 0.352 4.691 4.340 -0.001 0.000 0.260 68 L C -0.899 176.098 176.870 0.211 0.000 0.921 68 L CA -0.222 54.628 54.840 0.017 0.000 0.948 68 L CB 1.430 43.661 42.059 0.288 0.000 1.427 68 L HN 0.744 nan 8.230 nan 0.000 0.432 69 H N 4.328 123.537 119.070 0.232 0.000 3.167 69 H HA -0.167 4.389 4.556 -0.001 0.000 0.263 69 H C 0.539 175.992 175.328 0.207 0.000 0.830 69 H CA 0.463 56.630 56.048 0.198 0.000 1.436 69 H CB 0.116 29.969 29.762 0.152 0.000 1.325 69 H HN 0.472 nan 8.280 nan 0.000 0.520 70 M N 4.644 124.411 119.600 0.279 0.000 3.213 70 M HA 0.077 4.557 4.480 -0.001 0.000 0.275 70 M C -0.033 176.303 176.300 0.059 0.000 1.424 70 M CA -0.271 55.120 55.300 0.152 0.000 1.561 70 M CB -0.546 32.148 32.600 0.157 0.000 1.109 70 M HN 0.622 nan 8.290 nan 0.000 0.552 71 T N -1.431 113.151 114.554 0.047 0.000 2.922 71 T HA 0.491 4.840 4.350 -0.001 0.000 0.281 71 T C 1.093 175.741 174.700 -0.087 0.000 1.005 71 T CA -0.900 61.201 62.100 0.001 0.000 0.982 71 T CB 0.823 69.736 68.868 0.074 0.000 1.158 71 T HN 0.112 nan 8.240 nan 0.000 0.566 72 V N 1.247 121.088 119.914 -0.122 0.000 2.332 72 V HA -0.188 3.932 4.120 -0.001 0.000 0.248 72 V C 2.889 178.953 176.094 -0.050 0.000 1.055 72 V CA 1.982 64.199 62.300 -0.137 0.000 1.038 72 V CB -1.162 30.596 31.823 -0.109 0.000 0.651 72 V HN 0.779 nan 8.190 nan 0.000 0.450 73 Q N -0.112 119.714 119.800 0.044 0.000 2.046 73 Q HA -0.141 4.199 4.340 -0.001 0.000 0.200 73 Q C 2.381 178.521 176.000 0.234 0.000 0.975 73 Q CA 2.228 58.123 55.803 0.152 0.000 0.836 73 Q CB -1.072 27.773 28.738 0.177 0.000 0.896 73 Q HN 0.598 nan 8.270 nan 0.000 0.428 74 T N 0.728 115.398 114.554 0.194 0.000 2.737 74 T HA -0.216 4.133 4.350 -0.001 0.000 0.269 74 T C 1.790 176.249 174.700 -0.401 0.000 1.040 74 T CA 1.395 63.386 62.100 -0.180 0.000 1.142 74 T CB -0.461 68.325 68.868 -0.137 0.000 0.861 74 T HN 0.440 nan 8.240 nan 0.000 0.456 75 A N 0.721 123.365 122.820 -0.293 0.000 1.969 75 A HA -0.013 4.306 4.320 -0.001 0.000 0.218 75 A C 2.491 179.909 177.584 -0.277 0.000 1.169 75 A CA 1.153 52.987 52.037 -0.338 0.000 0.635 75 A CB -0.671 18.169 19.000 -0.267 0.000 0.810 75 A HN 0.408 nan 8.150 nan 0.000 0.445 76 V N -0.245 119.561 119.914 -0.181 0.000 2.719 76 V HA -0.148 3.972 4.120 -0.001 0.000 0.252 76 V C 2.376 178.378 176.094 -0.152 0.000 1.065 76 V CA 1.536 63.760 62.300 -0.126 0.000 1.086 76 V CB -0.684 31.113 31.823 -0.043 0.000 0.700 76 V HN 0.617 nan 8.190 nan 0.000 0.467 77 L N 0.502 121.583 121.223 -0.236 0.000 2.023 77 L HA -0.051 4.288 4.340 -0.001 0.000 0.205 77 L C 2.221 178.879 176.870 -0.353 0.000 1.073 77 L CA 1.796 56.443 54.840 -0.322 0.000 0.745 77 L CB -0.623 41.026 42.059 -0.683 0.000 0.900 77 L HN 0.183 nan 8.230 nan 0.000 0.435 78 I N 0.027 120.279 120.570 -0.530 0.000 2.143 78 I HA -0.373 3.796 4.170 -0.001 0.000 0.245 78 I C 2.373 178.328 176.117 -0.270 0.000 1.068 78 I CA 2.106 63.107 61.300 -0.499 0.000 1.326 78 I CB -0.434 37.161 38.000 -0.674 0.000 1.028 78 I HN 0.443 nan 8.210 nan 0.000 0.412 79 E N -0.412 119.648 120.200 -0.234 0.000 2.299 79 E HA -0.091 4.259 4.350 -0.001 0.000 0.193 79 E C 2.053 178.585 176.600 -0.113 0.000 0.998 79 E CA 0.954 57.260 56.400 -0.156 0.000 0.851 79 E CB 0.068 29.677 29.700 -0.151 0.000 0.795 79 E HN 0.462 nan 8.360 nan 0.000 0.492 80 T N 1.598 116.082 114.554 -0.116 0.000 2.708 80 T HA -0.116 4.234 4.350 -0.001 0.000 0.266 80 T C 1.896 176.550 174.700 -0.076 0.000 1.037 80 T CA 0.803 62.855 62.100 -0.079 0.000 1.146 80 T CB -0.100 68.725 68.868 -0.072 0.000 0.865 80 T HN 0.115 nan 8.240 nan 0.000 0.435 81 L N 1.129 122.292 121.223 -0.100 0.000 2.056 81 L HA -0.113 4.226 4.340 -0.001 0.000 0.207 81 L C 3.115 179.940 176.870 -0.075 0.000 1.078 81 L CA 1.755 56.541 54.840 -0.090 0.000 0.749 81 L CB -1.222 40.789 42.059 -0.081 0.000 0.901 81 L HN 0.487 nan 8.230 nan 0.000 0.433 82 T N -2.434 112.078 114.554 -0.071 0.000 2.777 82 T HA -0.112 4.238 4.350 -0.001 0.000 0.266 82 T C 1.972 176.651 174.700 -0.035 0.000 1.040 82 T CA 0.860 62.931 62.100 -0.049 0.000 1.141 82 T CB -0.465 68.373 68.868 -0.051 0.000 0.868 82 T HN 0.282 nan 8.240 nan 0.000 0.444 83 A N 1.352 124.149 122.820 -0.037 0.000 2.084 83 A HA 0.139 4.459 4.320 -0.001 0.000 0.221 83 A C 2.194 179.778 177.584 0.000 0.000 1.161 83 A CA 1.182 53.210 52.037 -0.015 0.000 0.653 83 A CB -0.795 18.195 19.000 -0.017 0.000 0.802 83 A HN 0.626 nan 8.150 nan 0.000 0.457 84 L N -2.242 118.973 121.223 -0.014 0.000 2.728 84 L HA 0.312 4.651 4.340 -0.001 0.000 0.238 84 L C 1.461 178.320 176.870 -0.018 0.000 1.143 84 L CA 0.523 55.361 54.840 -0.004 0.000 0.937 84 L CB 0.101 42.137 42.059 -0.038 0.000 1.225 84 L HN 0.557 nan 8.230 nan 0.000 0.507 85 G N 0.174 108.958 108.800 -0.026 0.000 2.201 85 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.212 85 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.212 85 G C 0.390 175.248 174.900 -0.069 0.000 0.994 85 G CA -0.076 45.008 45.100 -0.028 0.000 0.644 85 G HN 0.422 nan 8.290 nan 0.000 0.508 86 A N 0.088 122.846 122.820 -0.102 0.000 2.304 86 A HA 0.700 5.020 4.320 -0.001 0.000 0.271 86 A C 0.276 177.836 177.584 -0.039 0.000 1.091 86 A CA 0.057 52.011 52.037 -0.137 0.000 0.812 86 A CB 0.437 19.327 19.000 -0.183 0.000 1.056 86 A HN 0.427 nan 8.150 nan 0.000 0.489 87 E N -0.454 119.749 120.200 0.006 0.000 2.231 87 E HA 0.462 4.812 4.350 -0.001 0.000 0.277 87 E C -0.613 176.189 176.600 0.337 0.000 0.999 87 E CA -0.594 55.919 56.400 0.189 0.000 0.827 87 E CB 1.857 31.753 29.700 0.327 0.000 1.101 87 E HN 0.606 nan 8.360 nan 0.000 0.393 88 V N 0.841 120.926 119.914 0.285 0.000 2.914 88 V HA 0.677 4.797 4.120 -0.001 0.000 0.314 88 V C -1.067 175.070 176.094 0.072 0.000 1.084 88 V CA -0.846 61.628 62.300 0.290 0.000 0.963 88 V CB 1.929 33.908 31.823 0.261 0.000 1.025 88 V HN 0.632 nan 8.190 nan 0.000 0.432 89 R N 4.172 124.698 120.500 0.044 0.000 2.575 89 R HA 0.511 4.851 4.340 -0.001 0.000 0.293 89 R C -1.513 174.870 176.300 0.139 0.000 0.983 89 R CA -0.432 55.613 56.100 -0.091 0.000 0.887 89 R CB 2.140 32.141 30.300 -0.499 0.000 1.184 89 R HN 0.869 nan 8.270 nan 0.000 0.445 90 W N 1.592 122.870 121.300 -0.036 0.000 2.706 90 W HA 0.737 5.397 4.660 -0.001 0.000 0.346 90 W C -1.153 175.398 176.519 0.053 0.000 1.071 90 W CA -0.456 56.879 57.345 -0.016 0.000 1.206 90 W CB 2.286 31.714 29.460 -0.053 0.000 1.413 90 W HN 0.629 nan 8.180 nan 0.000 0.542 91 A N 2.026 124.818 122.820 -0.047 0.000 2.539 91 A HA 0.540 4.859 4.320 -0.001 0.000 0.296 91 A C -0.996 176.571 177.584 -0.029 0.000 1.073 91 A CA -0.472 51.557 52.037 -0.013 0.000 0.700 91 A CB 1.776 20.657 19.000 -0.199 0.000 1.296 91 A HN 0.354 nan 8.150 nan 0.000 0.405 92 S N -0.683 115.027 115.700 0.017 0.000 2.592 92 S HA 0.284 4.754 4.470 -0.001 0.000 0.271 92 S C 1.018 175.611 174.600 -0.011 0.000 1.326 92 S CA 0.106 58.343 58.200 0.062 0.000 1.024 92 S CB 0.170 63.427 63.200 0.095 0.000 0.921 92 S HN 1.519 nan 8.310 nan 0.000 0.527 93 C N 3.247 122.534 119.300 -0.021 0.000 2.525 93 C HA 0.538 4.997 4.460 -0.001 0.000 0.313 93 C C 0.290 175.355 174.990 0.125 0.000 1.311 93 C CA -0.994 58.054 59.018 0.050 0.000 1.725 93 C CB -2.063 25.620 27.740 -0.094 0.000 1.926 93 C HN 0.719 nan 8.230 nan 0.000 0.595 94 N N 0.777 119.597 118.700 0.200 0.000 2.516 94 N HA 0.204 4.943 4.740 -0.001 0.000 0.268 94 N C 0.506 176.011 175.510 -0.009 0.000 1.096 94 N CA -0.354 52.727 53.050 0.051 0.000 0.954 94 N CB 1.416 40.033 38.487 0.216 0.000 1.676 94 N HN 0.362 nan 8.380 nan 0.000 0.490 95 I N -0.551 119.853 120.570 -0.278 0.000 2.567 95 I HA -0.024 4.146 4.170 -0.001 0.000 0.257 95 I C 0.158 176.015 176.117 -0.433 0.000 1.184 95 I CA 1.335 62.373 61.300 -0.435 0.000 1.451 95 I CB -0.264 37.294 38.000 -0.735 0.000 1.089 95 I HN 0.216 nan 8.210 nan 0.000 0.441 96 F N 1.037 121.003 119.950 0.027 0.000 2.706 96 F HA 0.238 4.765 4.527 -0.000 0.000 0.313 96 F C 2.415 178.245 175.800 0.050 0.000 1.096 96 F CA 0.043 58.066 58.000 0.038 0.000 1.219 96 F CB -0.411 38.609 39.000 0.034 0.000 1.051 96 F HN 0.105 nan 8.300 nan 0.000 0.568 97 S N -1.679 114.138 115.700 0.196 0.000 2.461 97 S HA -0.015 4.455 4.470 -0.001 0.000 0.228 97 S C 1.050 175.745 174.600 0.159 0.000 1.005 97 S CA 0.307 58.596 58.200 0.147 0.000 0.942 97 S CB -0.870 62.475 63.200 0.241 0.000 0.776 97 S HN 0.123 nan 8.310 nan 0.000 0.514 98 T N 3.191 117.847 114.554 0.170 0.000 2.888 98 T HA 0.164 4.513 4.350 -0.001 0.000 0.301 98 T C -0.309 174.484 174.700 0.155 0.000 1.001 98 T CA 0.192 62.386 62.100 0.156 0.000 1.147 98 T CB 0.595 69.555 68.868 0.153 0.000 0.931 98 T HN 0.422 nan 8.240 nan 0.000 0.541 99 Q N 2.785 122.651 119.800 0.111 0.000 2.390 99 Q HA 0.152 4.492 4.340 -0.001 0.000 0.249 99 Q C 0.414 176.472 176.000 0.098 0.000 0.996 99 Q CA -0.662 55.217 55.803 0.126 0.000 0.899 99 Q CB 1.042 29.812 28.738 0.053 0.000 1.216 99 Q HN 0.538 nan 8.270 nan 0.000 0.465 100 D N 1.237 121.770 120.400 0.222 0.000 2.133 100 D HA -0.222 4.417 4.640 -0.001 0.000 0.195 100 D C 1.561 177.951 176.300 0.151 0.000 0.997 100 D CA 1.725 55.846 54.000 0.203 0.000 0.840 100 D CB 0.026 40.968 40.800 0.237 0.000 0.947 100 D HN 0.743 nan 8.370 nan 0.000 0.452 101 H N -0.690 118.375 119.070 -0.007 0.000 2.489 101 H HA 0.141 4.697 4.556 -0.001 0.000 0.293 101 H C 1.744 176.986 175.328 -0.143 0.000 1.066 101 H CA 1.304 57.294 56.048 -0.097 0.000 1.305 101 H CB -0.018 29.551 29.762 -0.322 0.000 1.386 101 H HN 0.100 nan 8.280 nan 0.000 0.551 102 A N 1.082 123.560 122.820 -0.570 0.000 2.021 102 A HA 0.319 4.638 4.320 -0.001 0.000 0.216 102 A C 2.513 179.947 177.584 -0.251 0.000 1.163 102 A CA 0.698 52.444 52.037 -0.485 0.000 0.676 102 A CB -0.617 18.083 19.000 -0.500 0.000 0.818 102 A HN 0.592 nan 8.150 nan 0.000 0.453 103 A N -0.033 122.699 122.820 -0.146 0.000 1.930 103 A HA 0.333 4.653 4.320 -0.001 0.000 0.215 103 A C 2.434 179.950 177.584 -0.112 0.000 1.176 103 A CA 1.514 53.499 52.037 -0.086 0.000 0.632 103 A CB -0.867 18.150 19.000 0.029 0.000 0.819 103 A HN 0.872 nan 8.150 nan 0.000 0.445 104 A N 0.289 123.056 122.820 -0.087 0.000 1.865 104 A HA 0.095 4.414 4.320 -0.001 0.000 0.217 104 A C 2.488 179.983 177.584 -0.148 0.000 1.191 104 A CA 2.228 54.200 52.037 -0.108 0.000 0.623 104 A CB -1.125 17.856 19.000 -0.031 0.000 0.826 104 A HN 1.116 nan 8.150 nan 0.000 0.444 105 A N -0.906 121.827 122.820 -0.145 0.000 2.024 105 A HA 0.050 4.370 4.320 -0.001 0.000 0.220 105 A C 2.149 179.624 177.584 -0.181 0.000 1.164 105 A CA 1.810 53.754 52.037 -0.155 0.000 0.643 105 A CB -0.623 18.279 19.000 -0.164 0.000 0.806 105 A HN 0.397 nan 8.150 nan 0.000 0.451 106 V N -1.021 118.771 119.914 -0.202 0.000 2.446 106 V HA -0.135 3.985 4.120 -0.001 0.000 0.244 106 V C 2.507 178.471 176.094 -0.217 0.000 1.039 106 V CA 1.474 63.644 62.300 -0.216 0.000 1.045 106 V CB -0.448 31.226 31.823 -0.247 0.000 0.681 106 V HN 0.336 nan 8.190 nan 0.000 0.459 107 V N 0.120 119.879 119.914 -0.257 0.000 2.332 107 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 107 V C 2.404 178.322 176.094 -0.293 0.000 1.055 107 V CA 2.137 64.226 62.300 -0.351 0.000 1.038 107 V CB -0.425 31.033 31.823 -0.608 0.000 0.651 107 V HN 0.412 nan 8.190 nan 0.000 0.450 108 V N -0.739 119.030 119.914 -0.242 0.000 2.407 108 V HA 0.275 4.394 4.120 -0.001 0.000 0.245 108 V C 1.235 177.247 176.094 -0.137 0.000 1.041 108 V CA 1.184 63.376 62.300 -0.179 0.000 1.040 108 V CB -1.081 30.655 31.823 -0.145 0.000 0.671 108 V HN 0.818 nan 8.190 nan 0.000 0.455 109 G N 0.150 108.863 108.800 -0.146 0.000 2.730 109 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 109 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 109 G C -1.654 173.150 174.900 -0.160 0.000 1.343 109 G CA -0.172 44.847 45.100 -0.135 0.000 0.826 109 G HN 0.205 nan 8.290 nan 0.000 0.582 110 P HA -0.053 nan 4.420 nan 0.000 0.220 110 P C 0.809 177.813 177.300 -0.493 0.000 1.148 110 P CA 1.598 64.471 63.100 -0.378 0.000 0.803 110 P CB 0.010 31.413 31.700 -0.495 0.000 0.782 111 H N -1.466 117.583 119.070 -0.036 0.000 2.592 111 H HA 0.378 4.934 4.556 -0.001 0.000 0.279 111 H C 1.228 176.539 175.328 -0.029 0.000 1.089 111 H CA 0.002 56.034 56.048 -0.027 0.000 1.150 111 H CB 0.369 30.119 29.762 -0.020 0.000 1.575 111 H HN 0.090 nan 8.280 nan 0.000 0.547 112 G N 0.823 109.628 108.800 0.008 0.000 2.535 112 G HA2 0.426 4.385 3.960 -0.001 0.000 0.303 112 G HA3 0.426 4.385 3.960 -0.001 0.000 0.303 112 G C 0.067 174.957 174.900 -0.017 0.000 1.237 112 G CA -0.201 44.895 45.100 -0.006 0.000 0.986 112 G HN 0.236 nan 8.290 nan 0.000 0.494 113 T N -3.126 111.415 114.554 -0.022 0.000 2.887 113 T HA 0.573 4.923 4.350 -0.001 0.000 0.292 113 T C -2.132 172.543 174.700 -0.041 0.000 1.087 113 T CA -1.493 60.593 62.100 -0.023 0.000 1.009 113 T CB 2.128 70.993 68.868 -0.005 0.000 1.203 113 T HN 0.140 nan 8.240 nan 0.000 0.518 114 P HA -0.104 nan 4.420 nan 0.000 0.216 114 P C 0.780 178.069 177.300 -0.018 0.000 1.154 114 P CA 1.298 64.374 63.100 -0.041 0.000 0.865 114 P CB -0.038 31.653 31.700 -0.015 0.000 0.789 115 D N -1.244 119.155 120.400 -0.002 0.000 2.194 115 D HA -0.074 4.566 4.640 -0.001 0.000 0.204 115 D C 0.767 177.072 176.300 0.009 0.000 0.964 115 D CA 1.119 55.126 54.000 0.011 0.000 0.846 115 D CB -0.196 40.612 40.800 0.013 0.000 0.962 115 D HN 0.228 nan 8.370 nan 0.000 0.490 116 E N 0.757 120.955 120.200 -0.002 0.000 3.303 116 E HA 0.210 4.560 4.350 -0.001 0.000 0.215 116 E C -2.667 173.921 176.600 -0.020 0.000 1.181 116 E CA -2.399 54.000 56.400 -0.002 0.000 0.998 116 E CB 1.102 30.805 29.700 0.005 0.000 1.312 116 E HN -0.073 nan 8.360 nan 0.000 0.412 117 P HA 0.137 nan 4.420 nan 0.000 0.276 117 P C -0.583 176.681 177.300 -0.059 0.000 1.230 117 P CA -0.184 62.864 63.100 -0.087 0.000 0.776 117 P CB 0.995 32.591 31.700 -0.173 0.000 0.888 118 K N 1.743 122.107 120.400 -0.061 0.000 2.972 118 K HA 0.352 4.672 4.320 -0.001 0.000 0.209 118 K C 0.773 177.339 176.600 -0.056 0.000 1.128 118 K CA -0.355 55.911 56.287 -0.034 0.000 1.024 118 K CB 1.042 33.544 32.500 0.003 0.000 0.754 118 K HN 0.551 nan 8.250 nan 0.000 0.454 119 G N 0.413 109.156 108.800 -0.095 0.000 3.194 119 G HA2 0.535 4.494 3.960 -0.001 0.000 0.160 119 G HA3 0.535 4.494 3.960 -0.001 0.000 0.160 119 G C -0.462 174.379 174.900 -0.098 0.000 1.267 119 G CA -0.224 44.809 45.100 -0.111 0.000 0.962 119 G HN 0.056 nan 8.290 nan 0.000 0.612 120 V N -2.881 116.960 119.914 -0.123 0.000 3.001 120 V HA 0.734 4.853 4.120 -0.001 0.000 0.314 120 V C -2.951 173.075 176.094 -0.113 0.000 1.099 120 V CA -2.674 59.570 62.300 -0.093 0.000 0.989 120 V CB 1.871 33.653 31.823 -0.068 0.000 1.040 120 V HN 0.401 nan 8.190 nan 0.000 0.434 121 P HA 0.309 nan 4.420 nan 0.000 0.263 121 P C -0.848 176.370 177.300 -0.137 0.000 1.195 121 P CA 0.327 63.349 63.100 -0.130 0.000 0.762 121 P CB 0.686 32.349 31.700 -0.062 0.000 0.799 122 V N 5.140 124.874 119.914 -0.300 0.000 2.686 122 V HA 0.419 4.539 4.120 -0.001 0.000 0.306 122 V C -0.644 175.202 176.094 -0.412 0.000 1.065 122 V CA -0.354 61.859 62.300 -0.146 0.000 0.894 122 V CB 1.699 33.493 31.823 -0.049 0.000 1.004 122 V HN 0.285 nan 8.190 nan 0.000 0.424 123 F N 3.372 123.429 119.950 0.178 0.000 2.443 123 F HA 0.834 5.360 4.527 -0.001 0.000 0.369 123 F C 0.342 176.288 175.800 0.242 0.000 1.090 123 F CA -0.312 57.838 58.000 0.250 0.000 1.129 123 F CB 1.683 40.721 39.000 0.064 0.000 1.367 123 F HN 0.633 nan 8.300 nan 0.000 0.465 124 A N 3.135 126.237 122.820 0.469 0.000 2.560 124 A HA 0.650 4.969 4.320 -0.001 0.000 0.300 124 A C -1.895 175.982 177.584 0.489 0.000 1.062 124 A CA -0.867 51.341 52.037 0.284 0.000 0.767 124 A CB 0.317 19.426 19.000 0.182 0.000 1.288 124 A HN 0.772 nan 8.150 nan 0.000 0.396 125 W N 1.288 122.689 121.300 0.168 0.000 3.047 125 W HA 0.771 5.431 4.660 -0.001 0.000 0.341 125 W C -0.513 176.108 176.519 0.170 0.000 1.225 125 W CA -1.014 56.423 57.345 0.154 0.000 1.150 125 W CB 1.271 30.818 29.460 0.144 0.000 1.470 125 W HN 0.678 nan 8.180 nan 0.000 0.578 126 K N 1.657 122.261 120.400 0.341 0.000 2.310 126 K HA 0.447 4.767 4.320 -0.001 0.000 0.290 126 K C 0.521 177.326 176.600 0.341 0.000 1.077 126 K CA 0.745 57.196 56.287 0.273 0.000 0.922 126 K CB -0.077 32.587 32.500 0.272 0.000 1.057 126 K HN 1.171 nan 8.250 nan 0.000 0.479 127 G N 3.451 112.421 108.800 0.283 0.000 2.237 127 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.153 127 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.153 127 G C -0.519 174.510 174.900 0.214 0.000 1.039 127 G CA -0.578 44.764 45.100 0.404 0.000 0.719 127 G HN 0.675 nan 8.290 nan 0.000 0.491 128 E N 1.033 121.129 120.200 -0.173 0.000 2.422 128 E HA 0.424 4.773 4.350 -0.001 0.000 0.260 128 E C 1.343 177.932 176.600 -0.018 0.000 1.108 128 E CA 0.562 56.839 56.400 -0.205 0.000 0.943 128 E CB 0.598 30.014 29.700 -0.474 0.000 0.961 128 E HN 0.470 nan 8.360 nan 0.000 0.443 129 T N -0.970 113.642 114.554 0.095 0.000 2.816 129 T HA 0.183 4.533 4.350 -0.001 0.000 0.282 129 T C 1.320 176.073 174.700 0.088 0.000 0.993 129 T CA -0.710 61.452 62.100 0.102 0.000 0.994 129 T CB 0.530 69.486 68.868 0.147 0.000 1.025 129 T HN 0.402 nan 8.240 nan 0.000 0.529 130 L N 0.249 121.534 121.223 0.104 0.000 2.042 130 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 130 L C 2.942 180.015 176.870 0.340 0.000 1.076 130 L CA 1.643 56.591 54.840 0.180 0.000 0.749 130 L CB -0.726 41.441 42.059 0.180 0.000 0.893 130 L HN 0.742 nan 8.230 nan 0.000 0.432 131 E N 0.319 120.681 120.200 0.270 0.000 2.049 131 E HA -0.257 4.092 4.350 -0.001 0.000 0.198 131 E C 2.085 178.863 176.600 0.297 0.000 1.007 131 E CA 1.573 58.135 56.400 0.270 0.000 0.809 131 E CB -0.162 29.640 29.700 0.171 0.000 0.749 131 E HN 0.438 nan 8.360 nan 0.000 0.450 132 E N -0.602 119.741 120.200 0.239 0.000 2.077 132 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 132 E C 1.937 178.668 176.600 0.219 0.000 0.989 132 E CA 1.078 57.639 56.400 0.269 0.000 0.800 132 E CB -0.259 29.631 29.700 0.317 0.000 0.746 132 E HN 0.308 nan 8.360 nan 0.000 0.452 133 Y N -0.075 120.208 120.300 -0.029 0.000 2.053 133 Y HA -0.300 4.249 4.550 -0.001 0.000 0.277 133 Y C 1.697 177.507 175.900 -0.150 0.000 1.159 133 Y CA 1.970 59.947 58.100 -0.205 0.000 1.125 133 Y CB -0.533 37.704 38.460 -0.371 0.000 0.969 133 Y HN 0.101 nan 8.280 nan 0.000 0.492 134 W N -1.300 120.128 121.300 0.214 0.000 2.467 134 W HA -0.120 4.539 4.660 -0.001 0.000 0.275 134 W C 2.221 178.785 176.519 0.075 0.000 1.239 134 W CA 0.747 58.167 57.345 0.124 0.000 1.266 134 W CB -0.795 28.802 29.460 0.229 0.000 1.112 134 W HN 0.364 nan 8.180 nan 0.000 0.576 135 W N 1.074 122.465 121.300 0.152 0.000 2.381 135 W HA -0.160 4.500 4.660 -0.001 0.000 0.301 135 W C 2.274 178.765 176.519 -0.047 0.000 1.205 135 W CA 2.713 60.102 57.345 0.074 0.000 1.285 135 W CB -0.556 28.966 29.460 0.104 0.000 1.133 135 W HN -0.155 nan 8.180 nan 0.000 0.521 136 A N 0.991 123.844 122.820 0.054 0.000 1.873 136 A HA -0.055 4.264 4.320 -0.001 0.000 0.215 136 A C 2.136 179.479 177.584 -0.400 0.000 1.186 136 A CA 2.541 54.441 52.037 -0.228 0.000 0.616 136 A CB -1.615 17.396 19.000 0.018 0.000 0.823 136 A HN 0.444 nan 8.150 nan 0.000 0.442 137 A N -0.131 122.458 122.820 -0.385 0.000 1.892 137 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 137 A C 2.020 179.506 177.584 -0.163 0.000 1.188 137 A CA 2.147 54.001 52.037 -0.304 0.000 0.631 137 A CB -0.701 18.098 19.000 -0.336 0.000 0.822 137 A HN 0.713 nan 8.150 nan 0.000 0.447 138 E N -0.723 119.417 120.200 -0.099 0.000 2.070 138 E HA -0.276 4.073 4.350 -0.001 0.000 0.197 138 E C 2.184 178.577 176.600 -0.345 0.000 1.004 138 E CA 1.600 57.969 56.400 -0.052 0.000 0.805 138 E CB -0.165 29.523 29.700 -0.019 0.000 0.744 138 E HN 0.614 nan 8.360 nan 0.000 0.451 139 Q N 0.097 119.445 119.800 -0.754 0.000 2.061 139 Q HA -0.212 4.127 4.340 -0.001 0.000 0.204 139 Q C 2.223 177.701 176.000 -0.869 0.000 0.984 139 Q CA 1.536 56.647 55.803 -1.153 0.000 0.846 139 Q CB -0.566 26.805 28.738 -2.277 0.000 0.902 139 Q HN 0.464 nan 8.270 nan 0.000 0.421 140 M N 0.251 119.472 119.600 -0.632 0.000 2.195 140 M HA -0.159 4.321 4.480 -0.001 0.000 0.260 140 M C 1.704 177.870 176.300 -0.223 0.000 1.066 140 M CA 1.454 56.581 55.300 -0.289 0.000 1.089 140 M CB -0.331 32.151 32.600 -0.196 0.000 1.377 140 M HN 0.200 nan 8.290 nan 0.000 0.411 141 L N -0.465 120.673 121.223 -0.143 0.000 2.416 141 L HA 0.027 4.367 4.340 -0.001 0.000 0.216 141 L C 0.212 177.129 176.870 0.078 0.000 1.098 141 L CA 0.268 55.139 54.840 0.052 0.000 0.840 141 L CB 0.084 42.258 42.059 0.192 0.000 0.981 141 L HN 0.114 nan 8.230 nan 0.000 0.462 142 T N -0.057 114.434 114.554 -0.105 0.000 2.891 142 T HA 0.153 4.502 4.350 -0.001 0.000 0.315 142 T C -0.732 173.913 174.700 -0.092 0.000 1.054 142 T CA -0.400 61.637 62.100 -0.105 0.000 0.958 142 T CB -0.075 68.665 68.868 -0.213 0.000 1.008 142 T HN 0.018 nan 8.240 nan 0.000 0.521 143 W N 4.209 125.446 121.300 -0.105 0.000 2.202 143 W HA 0.275 4.934 4.660 -0.001 0.000 0.332 143 W C -0.989 175.494 176.519 -0.059 0.000 1.263 143 W CA -1.820 55.487 57.345 -0.064 0.000 1.223 143 W CB 0.265 29.692 29.460 -0.054 0.000 1.128 143 W HN 0.436 nan 8.180 nan 0.000 0.573 144 P HA -0.223 nan 4.420 nan 0.000 0.215 144 P C 0.181 177.528 177.300 0.080 0.000 1.157 144 P CA 1.645 64.794 63.100 0.081 0.000 0.874 144 P CB 0.127 31.879 31.700 0.086 0.000 0.790 145 D N 0.131 120.600 120.400 0.115 0.000 2.347 145 D HA 0.083 4.722 4.640 -0.001 0.000 0.235 145 D C -1.388 174.939 176.300 0.044 0.000 1.149 145 D CA -2.624 51.415 54.000 0.066 0.000 0.850 145 D CB 0.814 41.651 40.800 0.062 0.000 1.061 145 D HN 0.008 nan 8.370 nan 0.000 0.487 146 P HA -0.123 nan 4.420 nan 0.000 0.222 146 P C 0.215 177.506 177.300 -0.015 0.000 1.142 146 P CA 0.849 63.942 63.100 -0.010 0.000 0.788 146 P CB 0.529 32.215 31.700 -0.024 0.000 0.767 147 D N -0.480 119.916 120.400 -0.008 0.000 2.360 147 D HA 0.046 4.686 4.640 -0.001 0.000 0.210 147 D C 0.460 176.746 176.300 -0.024 0.000 1.047 147 D CA 0.609 54.600 54.000 -0.015 0.000 0.854 147 D CB 0.168 40.962 40.800 -0.009 0.000 0.936 147 D HN 0.280 nan 8.370 nan 0.000 0.514 148 K N 1.457 121.843 120.400 -0.022 0.000 2.762 148 K HA 0.262 4.582 4.320 -0.001 0.000 0.180 148 K C -2.600 173.938 176.600 -0.104 0.000 1.067 148 K CA -1.408 54.840 56.287 -0.065 0.000 0.973 148 K CB 2.123 34.594 32.500 -0.049 0.000 1.290 148 K HN -0.006 nan 8.250 nan 0.000 0.604 149 P HA 0.069 nan 4.420 nan 0.000 0.277 149 P C -0.333 176.715 177.300 -0.419 0.000 1.271 149 P CA -0.635 62.382 63.100 -0.137 0.000 0.795 149 P CB 0.533 32.193 31.700 -0.068 0.000 1.101 150 A N 1.650 124.199 122.820 -0.452 0.000 2.598 150 A HA -0.040 4.280 4.320 -0.001 0.000 0.239 150 A C 0.872 178.231 177.584 -0.375 0.000 1.032 150 A CA 0.453 52.147 52.037 -0.571 0.000 0.760 150 A CB -1.063 17.892 19.000 -0.075 0.000 0.946 150 A HN 0.721 nan 8.150 nan 0.000 0.512 151 N N 1.087 119.543 118.700 -0.407 0.000 2.200 151 N HA 0.270 5.010 4.740 -0.001 0.000 0.224 151 N C -0.584 174.833 175.510 -0.155 0.000 1.179 151 N CA -0.116 52.815 53.050 -0.199 0.000 0.877 151 N CB 0.580 39.034 38.487 -0.055 0.000 1.072 151 N HN 0.416 nan 8.380 nan 0.000 0.519 152 M N 0.762 120.223 119.600 -0.232 0.000 2.373 152 M HA 0.398 4.878 4.480 -0.001 0.000 0.290 152 M C -1.678 174.494 176.300 -0.214 0.000 1.143 152 M CA -0.372 54.803 55.300 -0.208 0.000 0.949 152 M CB 2.298 34.775 32.600 -0.205 0.000 1.756 152 M HN -0.062 nan 8.290 nan 0.000 0.494 153 I N 2.771 123.194 120.570 -0.246 0.000 2.474 153 I HA 0.529 4.699 4.170 -0.001 0.000 0.294 153 I C -0.821 175.189 176.117 -0.177 0.000 1.005 153 I CA -0.872 60.299 61.300 -0.214 0.000 1.113 153 I CB 2.422 40.281 38.000 -0.235 0.000 1.289 153 I HN 0.551 nan 8.210 nan 0.000 0.436 154 L N 5.776 126.879 121.223 -0.200 0.000 2.294 154 L HA 0.490 4.829 4.340 -0.001 0.000 0.283 154 L C -1.254 175.484 176.870 -0.221 0.000 1.015 154 L CA -0.173 54.563 54.840 -0.173 0.000 0.831 154 L CB 0.841 42.813 42.059 -0.146 0.000 1.217 154 L HN 0.512 nan 8.230 nan 0.000 0.420 155 D N 2.570 122.889 120.400 -0.134 0.000 2.457 155 D HA 0.338 4.977 4.640 -0.001 0.000 0.240 155 D C -1.534 174.709 176.300 -0.095 0.000 1.041 155 D CA -0.174 53.752 54.000 -0.125 0.000 0.861 155 D CB 2.361 43.118 40.800 -0.072 0.000 1.394 155 D HN 0.361 nan 8.370 nan 0.000 0.473 156 D N 0.949 121.279 120.400 -0.117 0.000 2.421 156 D HA 0.447 5.086 4.640 -0.001 0.000 0.254 156 D C 0.751 176.919 176.300 -0.219 0.000 1.238 156 D CA -0.172 53.732 54.000 -0.160 0.000 0.919 156 D CB 0.470 41.186 40.800 -0.140 0.000 1.152 156 D HN 0.574 nan 8.370 nan 0.000 0.552 157 G N 2.343 110.968 108.800 -0.291 0.000 2.175 157 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.244 157 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.244 157 G C 1.117 176.112 174.900 0.158 0.000 0.982 157 G CA 0.419 45.393 45.100 -0.210 0.000 0.641 157 G HN 1.566 nan 8.290 nan 0.000 0.527 158 G N -0.291 108.568 108.800 0.098 0.000 2.187 158 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.261 158 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.261 158 G C 0.890 175.936 174.900 0.244 0.000 1.000 158 G CA 1.286 46.481 45.100 0.159 0.000 0.718 158 G HN 0.656 nan 8.290 nan 0.000 0.519 159 D N 0.508 121.077 120.400 0.283 0.000 2.104 159 D HA -0.028 4.612 4.640 -0.001 0.000 0.194 159 D C 2.712 179.219 176.300 0.345 0.000 0.994 159 D CA 1.831 56.061 54.000 0.382 0.000 0.830 159 D CB -0.687 40.315 40.800 0.337 0.000 0.959 159 D HN 0.688 nan 8.370 nan 0.000 0.452 160 A N 0.572 123.495 122.820 0.171 0.000 1.859 160 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 160 A C 2.408 180.069 177.584 0.127 0.000 1.198 160 A CA 2.786 54.891 52.037 0.114 0.000 0.629 160 A CB -1.222 17.770 19.000 -0.014 0.000 0.830 160 A HN 0.259 nan 8.150 nan 0.000 0.446 161 T N -0.286 114.329 114.554 0.100 0.000 2.653 161 T HA -0.278 4.071 4.350 -0.001 0.000 0.268 161 T C 1.925 176.657 174.700 0.053 0.000 1.035 161 T CA 1.966 64.121 62.100 0.091 0.000 1.154 161 T CB -0.342 68.568 68.868 0.071 0.000 0.862 161 T HN 0.500 nan 8.240 nan 0.000 0.441 162 M N 0.120 119.826 119.600 0.177 0.000 2.175 162 M HA -0.033 4.447 4.480 -0.001 0.000 0.264 162 M C 2.139 178.613 176.300 0.290 0.000 1.063 162 M CA 1.366 56.833 55.300 0.278 0.000 1.119 162 M CB -0.165 32.631 32.600 0.326 0.000 1.377 162 M HN 0.219 nan 8.290 nan 0.000 0.415 163 L N -0.125 121.267 121.223 0.281 0.000 2.056 163 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 163 L C 2.040 178.698 176.870 -0.354 0.000 1.078 163 L CA 1.382 56.237 54.840 0.025 0.000 0.749 163 L CB -0.568 41.520 42.059 0.047 0.000 0.901 163 L HN 0.116 nan 8.230 nan 0.000 0.433 164 V N -0.328 119.545 119.914 -0.069 0.000 2.237 164 V HA -0.312 3.808 4.120 -0.001 0.000 0.245 164 V C 2.494 178.616 176.094 0.047 0.000 1.046 164 V CA 2.208 64.569 62.300 0.101 0.000 1.007 164 V CB -0.575 31.390 31.823 0.236 0.000 0.638 164 V HN 0.406 nan 8.190 nan 0.000 0.445 165 L N -0.822 120.381 121.223 -0.034 0.000 2.072 165 L HA -0.083 4.257 4.340 -0.001 0.000 0.205 165 L C 2.820 179.653 176.870 -0.061 0.000 1.079 165 L CA 1.264 56.026 54.840 -0.130 0.000 0.752 165 L CB -0.571 41.168 42.059 -0.533 0.000 0.906 165 L HN 0.227 nan 8.230 nan 0.000 0.436 166 R N 0.113 120.602 120.500 -0.018 0.000 2.119 166 R HA 0.001 4.341 4.340 -0.001 0.000 0.222 166 R C 2.263 178.351 176.300 -0.353 0.000 1.088 166 R CA 1.142 57.133 56.100 -0.181 0.000 0.984 166 R CB -0.796 29.573 30.300 0.114 0.000 0.884 166 R HN 0.370 nan 8.270 nan 0.000 0.447 167 G N 1.321 109.953 108.800 -0.281 0.000 2.421 167 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.216 167 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.216 167 G C 1.499 176.416 174.900 0.028 0.000 1.171 167 G CA 0.711 45.592 45.100 -0.364 0.000 0.775 167 G HN 0.237 nan 8.290 nan 0.000 0.543 168 M N -0.055 119.598 119.600 0.088 0.000 2.086 168 M HA -0.078 4.402 4.480 -0.001 0.000 0.261 168 M C 2.647 178.960 176.300 0.023 0.000 1.067 168 M CA 2.145 57.524 55.300 0.133 0.000 1.116 168 M CB -0.312 32.362 32.600 0.124 0.000 1.348 168 M HN 0.391 nan 8.290 nan 0.000 0.407 169 Q N -0.271 119.472 119.800 -0.095 0.000 2.012 169 Q HA -0.272 4.068 4.340 -0.001 0.000 0.211 169 Q C 1.712 177.623 176.000 -0.148 0.000 1.009 169 Q CA 2.799 58.497 55.803 -0.175 0.000 0.866 169 Q CB -0.472 28.066 28.738 -0.333 0.000 0.945 169 Q HN 0.689 nan 8.270 nan 0.000 0.414 170 Y N 0.605 120.866 120.300 -0.065 0.000 2.352 170 Y HA -0.125 4.424 4.550 -0.001 0.000 0.292 170 Y C 2.108 177.835 175.900 -0.288 0.000 1.136 170 Y CA 1.235 59.225 58.100 -0.183 0.000 1.227 170 Y CB -0.305 37.997 38.460 -0.264 0.000 0.991 170 Y HN 0.298 nan 8.280 nan 0.000 0.545 171 E N 0.392 120.595 120.200 0.005 0.000 2.015 171 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 171 E C 2.073 178.755 176.600 0.137 0.000 0.991 171 E CA 1.131 57.607 56.400 0.127 0.000 0.802 171 E CB -0.126 29.755 29.700 0.303 0.000 0.759 171 E HN 0.377 nan 8.360 nan 0.000 0.447 172 K N 0.212 120.670 120.400 0.095 0.000 2.160 172 K HA -0.147 4.173 4.320 -0.001 0.000 0.206 172 K C 1.966 178.605 176.600 0.064 0.000 1.047 172 K CA 1.115 57.448 56.287 0.076 0.000 0.930 172 K CB -0.085 32.444 32.500 0.048 0.000 0.720 172 K HN 0.067 nan 8.250 nan 0.000 0.450 173 A N 0.096 122.942 122.820 0.044 0.000 2.169 173 A HA 0.152 4.471 4.320 -0.001 0.000 0.212 173 A C 1.521 179.132 177.584 0.045 0.000 1.153 173 A CA 0.996 53.058 52.037 0.042 0.000 0.756 173 A CB -0.168 18.861 19.000 0.049 0.000 0.813 173 A HN 0.416 nan 8.150 nan 0.000 0.471 174 G N -2.090 106.742 108.800 0.053 0.000 2.159 174 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.256 174 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.256 174 G C 0.136 175.067 174.900 0.051 0.000 0.977 174 G CA 0.480 45.673 45.100 0.155 0.000 0.652 174 G HN 1.613 nan 8.290 nan 0.000 0.531 175 V N -0.256 119.536 119.914 -0.203 0.000 2.852 175 V HA 0.573 4.692 4.120 -0.001 0.000 0.300 175 V C -0.420 175.439 176.094 -0.391 0.000 1.205 175 V CA -0.551 61.594 62.300 -0.258 0.000 0.940 175 V CB 2.255 34.039 31.823 -0.065 0.000 1.047 175 V HN 0.595 nan 8.190 nan 0.000 0.429 176 V N 9.251 128.863 119.914 -0.505 0.000 2.408 176 V HA 0.406 4.525 4.120 -0.001 0.000 0.267 176 V C -1.771 174.071 176.094 -0.420 0.000 1.047 176 V CA -1.129 60.827 62.300 -0.574 0.000 0.937 176 V CB 1.353 32.849 31.823 -0.544 0.000 0.999 176 V HN 0.846 nan 8.190 nan 0.000 0.472 177 P HA 0.318 nan 4.420 nan 0.000 0.272 177 P C -2.703 174.457 177.300 -0.233 0.000 1.223 177 P CA -1.316 61.637 63.100 -0.245 0.000 0.784 177 P CB 0.224 31.822 31.700 -0.170 0.000 0.923 178 P HA 0.320 nan 4.420 nan 0.000 0.279 178 P C -0.790 176.464 177.300 -0.076 0.000 1.282 178 P CA -0.391 62.643 63.100 -0.110 0.000 0.788 178 P CB 0.365 32.027 31.700 -0.064 0.000 1.139 179 A N 0.047 122.834 122.820 -0.054 0.000 2.320 179 A HA 0.453 4.773 4.320 -0.001 0.000 0.334 179 A C -0.251 177.352 177.584 0.032 0.000 1.147 179 A CA -0.606 51.438 52.037 0.013 0.000 0.820 179 A CB 0.464 19.467 19.000 0.005 0.000 1.218 179 A HN 0.488 nan 8.150 nan 0.000 0.482 180 E N 1.509 121.747 120.200 0.064 0.000 2.289 180 E HA 0.058 4.408 4.350 -0.001 0.000 0.278 180 E C 0.744 177.368 176.600 0.040 0.000 1.032 180 E CA 0.198 56.623 56.400 0.043 0.000 0.854 180 E CB 0.690 30.414 29.700 0.040 0.000 1.046 180 E HN 0.855 nan 8.360 nan 0.000 0.409 181 E N 2.308 122.523 120.200 0.026 0.000 2.233 181 E HA -0.292 4.057 4.350 -0.001 0.000 0.210 181 E C 0.167 176.784 176.600 0.028 0.000 1.046 181 E CA 1.709 58.123 56.400 0.024 0.000 0.844 181 E CB 0.025 29.735 29.700 0.017 0.000 0.741 181 E HN 0.340 nan 8.360 nan 0.000 0.465 182 D N 1.164 121.580 120.400 0.026 0.000 2.892 182 D HA 0.133 4.772 4.640 -0.001 0.000 0.291 182 D C -0.831 175.486 176.300 0.028 0.000 1.341 182 D CA -0.275 53.739 54.000 0.024 0.000 0.844 182 D CB 0.214 41.022 40.800 0.012 0.000 1.093 182 D HN 0.081 nan 8.370 nan 0.000 0.480 183 D N 1.088 121.523 120.400 0.059 0.000 2.339 183 D HA 0.176 4.815 4.640 -0.001 0.000 0.245 183 D C -2.145 174.206 176.300 0.085 0.000 1.115 183 D CA -1.390 52.663 54.000 0.089 0.000 0.917 183 D CB 0.857 41.790 40.800 0.222 0.000 1.192 183 D HN -0.027 nan 8.370 nan 0.000 0.428 184 P HA -0.048 nan 4.420 nan 0.000 0.264 184 P C 0.080 177.453 177.300 0.123 0.000 1.179 184 P CA 0.110 63.251 63.100 0.070 0.000 0.763 184 P CB 0.561 32.283 31.700 0.037 0.000 0.806 185 A N 4.821 127.695 122.820 0.091 0.000 1.873 185 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 185 A C 1.890 179.553 177.584 0.131 0.000 1.193 185 A CA 1.947 54.042 52.037 0.097 0.000 0.629 185 A CB -1.175 17.875 19.000 0.083 0.000 0.826 185 A HN 0.692 nan 8.150 nan 0.000 0.447 186 E N -1.158 119.128 120.200 0.144 0.000 2.164 186 E HA -0.306 4.043 4.350 -0.001 0.000 0.206 186 E C 2.050 178.796 176.600 0.244 0.000 1.032 186 E CA 1.637 58.167 56.400 0.217 0.000 0.832 186 E CB -0.764 29.009 29.700 0.122 0.000 0.742 186 E HN 0.938 nan 8.360 nan 0.000 0.460 187 W N 2.038 123.322 121.300 -0.026 0.000 2.409 187 W HA -0.063 4.597 4.660 -0.001 0.000 0.299 187 W C 2.012 178.523 176.519 -0.014 0.000 1.203 187 W CA 1.069 58.379 57.345 -0.058 0.000 1.298 187 W CB 0.093 29.503 29.460 -0.084 0.000 1.127 187 W HN 0.037 nan 8.180 nan 0.000 0.528 188 K N 0.093 120.516 120.400 0.038 0.000 2.009 188 K HA -0.206 4.113 4.320 -0.001 0.000 0.210 188 K C 1.707 178.230 176.600 -0.129 0.000 1.049 188 K CA 2.001 58.249 56.287 -0.065 0.000 0.929 188 K CB -0.871 31.636 32.500 0.012 0.000 0.714 188 K HN -0.028 nan 8.250 nan 0.000 0.440 189 V N 1.329 121.219 119.914 -0.041 0.000 2.324 189 V HA -0.284 3.835 4.120 -0.001 0.000 0.250 189 V C 2.031 177.978 176.094 -0.245 0.000 1.060 189 V CA 2.013 64.296 62.300 -0.029 0.000 1.042 189 V CB -0.576 31.358 31.823 0.184 0.000 0.650 189 V HN 0.260 nan 8.190 nan 0.000 0.450 190 F N 0.028 119.573 119.950 -0.676 0.000 2.113 190 F HA -0.127 4.400 4.527 -0.001 0.000 0.297 190 F C 2.129 177.434 175.800 -0.825 0.000 1.103 190 F CA 1.638 58.970 58.000 -1.113 0.000 1.248 190 F CB -0.179 38.019 39.000 -1.336 0.000 0.999 190 F HN -0.007 nan 8.300 nan 0.000 0.475 191 L N 0.310 121.102 121.223 -0.718 0.000 2.046 191 L HA -0.267 4.072 4.340 -0.001 0.000 0.208 191 L C 2.223 178.802 176.870 -0.485 0.000 1.077 191 L CA 1.309 55.735 54.840 -0.689 0.000 0.747 191 L CB -0.909 40.779 42.059 -0.618 0.000 0.896 191 L HN 0.201 nan 8.230 nan 0.000 0.432 192 N N 0.264 118.757 118.700 -0.346 0.000 2.094 192 N HA -0.224 4.515 4.740 -0.001 0.000 0.191 192 N C 1.816 177.223 175.510 -0.171 0.000 1.023 192 N CA 1.236 54.164 53.050 -0.203 0.000 0.857 192 N CB -0.326 38.090 38.487 -0.119 0.000 1.013 192 N HN 0.286 nan 8.380 nan 0.000 0.426 193 L N 0.442 121.526 121.223 -0.231 0.000 2.027 193 L HA -0.055 4.284 4.340 -0.001 0.000 0.206 193 L C 2.029 178.807 176.870 -0.154 0.000 1.074 193 L CA 0.919 55.671 54.840 -0.147 0.000 0.745 193 L CB -0.223 41.738 42.059 -0.164 0.000 0.898 193 L HN 0.130 nan 8.230 nan 0.000 0.433 194 L N -0.454 120.546 121.223 -0.372 0.000 2.042 194 L HA -0.263 4.076 4.340 -0.001 0.000 0.210 194 L C 2.823 179.638 176.870 -0.092 0.000 1.076 194 L CA 1.429 56.097 54.840 -0.285 0.000 0.749 194 L CB -0.559 41.156 42.059 -0.575 0.000 0.893 194 L HN 0.339 nan 8.230 nan 0.000 0.432 195 R N -0.248 120.155 120.500 -0.162 0.000 2.070 195 R HA -0.156 4.183 4.340 -0.001 0.000 0.232 195 R C 2.305 178.639 176.300 0.057 0.000 1.138 195 R CA 2.195 58.257 56.100 -0.064 0.000 0.936 195 R CB -0.355 29.870 30.300 -0.125 0.000 0.839 195 R HN 0.235 nan 8.270 nan 0.000 0.429 196 T N 0.515 115.081 114.554 0.019 0.000 2.653 196 T HA -0.231 4.118 4.350 -0.001 0.000 0.268 196 T C 1.765 176.510 174.700 0.074 0.000 1.035 196 T CA 1.956 64.081 62.100 0.042 0.000 1.154 196 T CB -0.333 68.555 68.868 0.034 0.000 0.862 196 T HN 0.249 nan 8.240 nan 0.000 0.441 197 R N 0.277 120.844 120.500 0.112 0.000 2.235 197 R HA 0.121 4.461 4.340 -0.001 0.000 0.213 197 R C 1.785 178.176 176.300 0.151 0.000 1.059 197 R CA 0.696 56.871 56.100 0.124 0.000 0.997 197 R CB -0.747 29.668 30.300 0.191 0.000 0.884 197 R HN 0.417 nan 8.270 nan 0.000 0.462 198 F N 0.901 120.876 119.950 0.041 0.000 2.335 198 F HA 0.125 4.651 4.527 -0.001 0.000 0.296 198 F C 1.343 177.149 175.800 0.011 0.000 1.091 198 F CA 1.105 59.128 58.000 0.039 0.000 1.399 198 F CB 0.183 39.208 39.000 0.040 0.000 1.067 198 F HN 0.097 nan 8.300 nan 0.000 0.520 199 E N -0.826 119.361 120.200 -0.022 0.000 2.268 199 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 199 E C 2.097 178.621 176.600 -0.126 0.000 0.995 199 E CA 1.597 57.940 56.400 -0.094 0.000 0.836 199 E CB -0.142 29.549 29.700 -0.014 0.000 0.763 199 E HN 0.495 nan 8.360 nan 0.000 0.491 200 T N -1.769 112.726 114.554 -0.099 0.000 3.045 200 T HA -0.020 4.329 4.350 -0.001 0.000 0.239 200 T C 0.431 175.056 174.700 -0.125 0.000 1.008 200 T CA 0.140 62.186 62.100 -0.090 0.000 1.143 200 T CB 0.415 69.254 68.868 -0.049 0.000 0.894 200 T HN -0.156 nan 8.240 nan 0.000 0.451 201 D N 0.489 120.810 120.400 -0.131 0.000 2.505 201 D HA 0.386 5.026 4.640 -0.001 0.000 0.250 201 D C 0.044 176.253 176.300 -0.151 0.000 1.164 201 D CA -0.419 53.496 54.000 -0.142 0.000 0.870 201 D CB 1.836 42.548 40.800 -0.148 0.000 1.160 201 D HN 0.220 nan 8.370 nan 0.000 0.549 202 K N 1.559 121.841 120.400 -0.196 0.000 2.374 202 K HA 0.063 4.383 4.320 -0.001 0.000 0.196 202 K C 0.212 176.847 176.600 0.058 0.000 1.023 202 K CA 0.248 56.401 56.287 -0.224 0.000 1.103 202 K CB 0.786 33.042 32.500 -0.407 0.000 0.848 202 K HN 0.376 nan 8.250 nan 0.000 0.528 203 D N -0.868 119.539 120.400 0.012 0.000 2.530 203 D HA -0.025 4.615 4.640 -0.001 0.000 0.253 203 D C 1.089 177.366 176.300 -0.039 0.000 1.338 203 D CA -0.266 53.755 54.000 0.036 0.000 0.806 203 D CB 0.016 40.825 40.800 0.014 0.000 1.160 203 D HN -0.170 nan 8.370 nan 0.000 0.514 204 K N 0.593 120.886 120.400 -0.178 0.000 2.000 204 K HA -0.186 4.133 4.320 -0.001 0.000 0.218 204 K C 1.275 177.645 176.600 -0.383 0.000 1.053 204 K CA 2.258 58.288 56.287 -0.428 0.000 0.946 204 K CB -0.218 31.799 32.500 -0.806 0.000 0.723 204 K HN 0.197 nan 8.250 nan 0.000 0.446 205 W N 0.354 121.685 121.300 0.052 0.000 2.402 205 W HA -0.080 4.579 4.660 -0.001 0.000 0.286 205 W C 2.357 178.908 176.519 0.054 0.000 1.221 205 W CA 0.848 58.222 57.345 0.049 0.000 1.257 205 W CB -0.706 28.781 29.460 0.046 0.000 1.120 205 W HN 0.119 nan 8.180 nan 0.000 0.551 206 T N 0.984 115.673 114.554 0.225 0.000 2.746 206 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 206 T C 1.640 176.401 174.700 0.102 0.000 1.039 206 T CA 1.687 63.876 62.100 0.149 0.000 1.142 206 T CB -0.237 68.702 68.868 0.119 0.000 0.866 206 T HN 0.179 nan 8.240 nan 0.000 0.444 207 K N 0.615 121.046 120.400 0.053 0.000 2.103 207 K HA 0.092 4.412 4.320 -0.001 0.000 0.204 207 K C 2.273 178.893 176.600 0.032 0.000 1.052 207 K CA 0.904 57.205 56.287 0.024 0.000 0.945 207 K CB -0.380 32.109 32.500 -0.019 0.000 0.722 207 K HN 0.318 nan 8.250 nan 0.000 0.443 208 I N 1.837 122.432 120.570 0.042 0.000 2.163 208 I HA -0.296 3.873 4.170 -0.001 0.000 0.243 208 I C 2.602 178.784 176.117 0.110 0.000 1.085 208 I CA 1.363 62.703 61.300 0.066 0.000 1.347 208 I CB -0.443 37.629 38.000 0.119 0.000 1.044 208 I HN 0.129 nan 8.210 nan 0.000 0.408 209 A N -0.067 122.869 122.820 0.194 0.000 1.978 209 A HA -0.239 4.081 4.320 -0.001 0.000 0.220 209 A C 2.195 179.935 177.584 0.260 0.000 1.170 209 A CA 1.839 54.054 52.037 0.298 0.000 0.636 209 A CB -0.559 18.593 19.000 0.253 0.000 0.810 209 A HN 0.503 nan 8.150 nan 0.000 0.448 210 E N -1.080 119.207 120.200 0.146 0.000 2.230 210 E HA -0.050 4.299 4.350 -0.001 0.000 0.192 210 E C 2.134 178.777 176.600 0.072 0.000 0.987 210 E CA 0.728 57.191 56.400 0.106 0.000 0.841 210 E CB 0.014 29.755 29.700 0.067 0.000 0.783 210 E HN 0.603 nan 8.360 nan 0.000 0.481 211 S N 0.268 115.992 115.700 0.040 0.000 2.362 211 S HA -0.038 4.432 4.470 -0.001 0.000 0.221 211 S C 0.971 175.556 174.600 -0.025 0.000 1.032 211 S CA 0.057 58.254 58.200 -0.006 0.000 0.973 211 S CB 0.082 63.252 63.200 -0.049 0.000 0.849 211 S HN -0.038 nan 8.310 nan 0.000 0.465 212 V N 3.312 123.183 119.914 -0.072 0.000 2.583 212 V HA -0.014 4.106 4.120 -0.001 0.000 0.302 212 V C 1.090 177.099 176.094 -0.141 0.000 1.033 212 V CA 0.818 62.980 62.300 -0.229 0.000 1.194 212 V CB 0.354 31.813 31.823 -0.607 0.000 0.879 212 V HN 0.449 nan 8.190 nan 0.000 0.482 213 K N 2.926 123.273 120.400 -0.088 0.000 2.352 213 K HA 0.349 4.669 4.320 -0.001 0.000 0.194 213 K C 0.734 177.329 176.600 -0.008 0.000 1.038 213 K CA 0.624 56.917 56.287 0.011 0.000 1.023 213 K CB 0.841 33.386 32.500 0.074 0.000 0.840 213 K HN 0.898 nan 8.250 nan 0.000 0.519 214 G N 0.311 109.030 108.800 -0.134 0.000 2.519 214 G HA2 0.312 4.271 3.960 -0.001 0.000 0.292 214 G HA3 0.312 4.271 3.960 -0.001 0.000 0.292 214 G C -2.153 172.612 174.900 -0.226 0.000 1.507 214 G CA -0.572 44.461 45.100 -0.112 0.000 0.806 214 G HN -0.089 nan 8.290 nan 0.000 0.523 215 V N 0.529 120.385 119.914 -0.098 0.000 2.628 215 V HA 0.906 5.026 4.120 -0.001 0.000 0.306 215 V C 0.021 176.085 176.094 -0.050 0.000 1.045 215 V CA 0.133 62.373 62.300 -0.100 0.000 0.905 215 V CB 2.148 33.968 31.823 -0.006 0.000 0.997 215 V HN 1.486 nan 8.190 nan 0.000 0.436 216 T N 2.382 116.897 114.554 -0.064 0.000 2.812 216 T HA 0.714 5.064 4.350 -0.001 0.000 0.282 216 T C -0.854 173.825 174.700 -0.034 0.000 0.990 216 T CA -0.579 61.496 62.100 -0.042 0.000 0.960 216 T CB 1.542 70.386 68.868 -0.041 0.000 0.948 216 T HN 0.737 nan 8.240 nan 0.000 0.438 217 E N 1.703 121.888 120.200 -0.025 0.000 2.185 217 E HA 0.298 4.647 4.350 -0.001 0.000 0.261 217 E C 0.494 177.076 176.600 -0.030 0.000 0.879 217 E CA -0.613 55.766 56.400 -0.035 0.000 0.756 217 E CB 1.654 31.326 29.700 -0.046 0.000 1.152 217 E HN 0.723 nan 8.360 nan 0.000 0.416 218 E N 2.475 122.658 120.200 -0.028 0.000 2.318 218 E HA 0.032 4.381 4.350 -0.001 0.000 0.193 218 E C -0.254 176.325 176.600 -0.035 0.000 0.998 218 E CA 0.530 56.931 56.400 0.002 0.000 0.859 218 E CB 0.628 30.355 29.700 0.045 0.000 0.812 218 E HN 0.472 nan 8.360 nan 0.000 0.492 219 T N -1.500 112.995 114.554 -0.099 0.000 2.906 219 T HA 0.205 4.555 4.350 -0.001 0.000 0.295 219 T C 0.876 175.508 174.700 -0.113 0.000 1.075 219 T CA -0.350 61.673 62.100 -0.127 0.000 1.005 219 T CB 1.741 70.461 68.868 -0.248 0.000 1.136 219 T HN -0.103 nan 8.240 nan 0.000 0.498 220 T N 1.985 116.495 114.554 -0.074 0.000 2.597 220 T HA -0.161 4.188 4.350 -0.001 0.000 0.267 220 T C 1.990 176.677 174.700 -0.021 0.000 1.053 220 T CA 2.423 64.506 62.100 -0.027 0.000 1.165 220 T CB -0.842 68.022 68.868 -0.007 0.000 0.863 220 T HN 0.753 nan 8.240 nan 0.000 0.427 221 T N 1.240 115.765 114.554 -0.049 0.000 2.699 221 T HA -0.096 4.254 4.350 -0.001 0.000 0.268 221 T C 2.263 176.973 174.700 0.016 0.000 1.036 221 T CA 1.484 63.580 62.100 -0.007 0.000 1.147 221 T CB -1.002 67.829 68.868 -0.062 0.000 0.862 221 T HN 0.583 nan 8.240 nan 0.000 0.446 222 G N 0.701 109.460 108.800 -0.069 0.000 2.404 222 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.215 222 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.215 222 G C 1.723 176.618 174.900 -0.009 0.000 1.174 222 G CA 0.705 45.796 45.100 -0.016 0.000 0.780 222 G HN 0.429 nan 8.290 nan 0.000 0.537 223 V N 0.883 120.760 119.914 -0.061 0.000 2.332 223 V HA -0.160 3.959 4.120 -0.001 0.000 0.248 223 V C 2.717 178.738 176.094 -0.122 0.000 1.055 223 V CA 1.767 63.977 62.300 -0.150 0.000 1.038 223 V CB -0.379 31.361 31.823 -0.138 0.000 0.651 223 V HN 0.393 nan 8.190 nan 0.000 0.450 224 L N 0.186 121.434 121.223 0.042 0.000 2.083 224 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 224 L C 2.453 179.394 176.870 0.119 0.000 1.083 224 L CA 1.918 56.842 54.840 0.140 0.000 0.752 224 L CB -0.685 41.442 42.059 0.114 0.000 0.899 224 L HN 0.138 nan 8.230 nan 0.000 0.433 225 R N -0.843 119.717 120.500 0.100 0.000 2.092 225 R HA -0.075 4.264 4.340 -0.001 0.000 0.231 225 R C 2.290 178.730 176.300 0.233 0.000 1.119 225 R CA 1.628 57.804 56.100 0.127 0.000 0.970 225 R CB -0.408 30.004 30.300 0.186 0.000 0.864 225 R HN 0.393 nan 8.270 nan 0.000 0.440 226 L N -0.654 120.672 121.223 0.171 0.000 1.970 226 L HA -0.273 4.066 4.340 -0.001 0.000 0.212 226 L C 2.164 179.121 176.870 0.145 0.000 1.071 226 L CA 1.560 56.477 54.840 0.129 0.000 0.751 226 L CB -0.679 41.319 42.059 -0.101 0.000 0.889 226 L HN 0.222 nan 8.230 nan 0.000 0.432 227 Y N 0.670 121.024 120.300 0.090 0.000 2.102 227 Y HA -0.337 4.213 4.550 -0.001 0.000 0.280 227 Y C 2.804 178.720 175.900 0.025 0.000 1.178 227 Y CA 1.452 59.579 58.100 0.044 0.000 1.146 227 Y CB -0.966 37.508 38.460 0.025 0.000 0.968 227 Y HN 0.335 nan 8.280 nan 0.000 0.504 228 Q N -1.817 118.076 119.800 0.154 0.000 2.291 228 Q HA -0.138 4.202 4.340 -0.001 0.000 0.205 228 Q C 1.944 177.903 176.000 -0.067 0.000 0.970 228 Q CA 1.093 56.897 55.803 0.001 0.000 0.876 228 Q CB -0.332 28.351 28.738 -0.093 0.000 0.935 228 Q HN 0.396 nan 8.270 nan 0.000 0.455 229 F N 0.439 120.399 119.950 0.016 0.000 2.187 229 F HA -0.024 4.503 4.527 -0.001 0.000 0.295 229 F C 2.333 178.120 175.800 -0.020 0.000 1.091 229 F CA 1.047 59.036 58.000 -0.019 0.000 1.308 229 F CB -0.369 38.606 39.000 -0.042 0.000 1.030 229 F HN 0.023 nan 8.300 nan 0.000 0.487 230 A N -0.391 122.547 122.820 0.197 0.000 2.014 230 A HA 0.063 4.382 4.320 -0.001 0.000 0.218 230 A C 2.265 179.896 177.584 0.078 0.000 1.163 230 A CA 1.357 53.464 52.037 0.117 0.000 0.652 230 A CB -1.110 17.966 19.000 0.127 0.000 0.808 230 A HN 0.272 nan 8.150 nan 0.000 0.449 231 A N -0.506 122.358 122.820 0.073 0.000 2.066 231 A HA 0.362 4.682 4.320 -0.001 0.000 0.218 231 A C 2.132 179.722 177.584 0.010 0.000 1.157 231 A CA 1.359 53.414 52.037 0.029 0.000 0.670 231 A CB -0.511 18.498 19.000 0.015 0.000 0.804 231 A HN 0.947 nan 8.150 nan 0.000 0.453 232 A N -1.604 121.224 122.820 0.013 0.000 2.251 232 A HA 0.422 4.741 4.320 -0.001 0.000 0.209 232 A C 1.750 179.345 177.584 0.018 0.000 1.187 232 A CA 1.072 53.108 52.037 -0.002 0.000 0.823 232 A CB -0.882 18.099 19.000 -0.032 0.000 0.846 232 A HN 1.750 nan 8.150 nan 0.000 0.486 233 G N -0.641 108.176 108.800 0.028 0.000 2.153 233 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.252 233 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.252 233 G C 0.350 175.264 174.900 0.023 0.000 0.994 233 G CA 0.613 45.726 45.100 0.021 0.000 0.698 233 G HN 0.422 nan 8.290 nan 0.000 0.521 234 D N -0.841 119.595 120.400 0.061 0.000 2.398 234 D HA 0.196 4.835 4.640 -0.001 0.000 0.210 234 D C 0.789 177.087 176.300 -0.003 0.000 1.094 234 D CA -0.242 53.807 54.000 0.082 0.000 0.839 234 D CB 0.344 41.267 40.800 0.204 0.000 0.963 234 D HN 0.381 nan 8.370 nan 0.000 0.506 235 L N 1.036 122.225 121.223 -0.056 0.000 2.283 235 L HA 0.424 4.763 4.340 -0.001 0.000 0.287 235 L C 0.867 177.510 176.870 -0.379 0.000 1.073 235 L CA -0.189 54.494 54.840 -0.262 0.000 0.822 235 L CB 1.016 43.006 42.059 -0.114 0.000 1.186 235 L HN -0.125 nan 8.230 nan 0.000 0.436 236 A N 5.347 127.718 122.820 -0.748 0.000 2.275 236 A HA 0.365 4.684 4.320 -0.001 0.000 0.212 236 A C -0.127 177.198 177.584 -0.432 0.000 1.201 236 A CA 0.208 51.909 52.037 -0.560 0.000 0.843 236 A CB -0.566 18.172 19.000 -0.437 0.000 0.873 236 A HN 0.644 nan 8.150 nan 0.000 0.492 237 F N -3.570 116.376 119.950 -0.007 0.000 2.686 237 F HA 0.659 5.185 4.527 -0.001 0.000 0.311 237 F C -3.145 172.671 175.800 0.027 0.000 1.128 237 F CA -3.836 54.167 58.000 0.006 0.000 0.946 237 F CB 0.252 39.243 39.000 -0.014 0.000 1.336 237 F HN -0.300 nan 8.300 nan 0.000 0.457 238 P HA 0.320 nan 4.420 nan 0.000 0.268 238 P C -1.038 176.389 177.300 0.212 0.000 1.208 238 P CA 0.070 63.308 63.100 0.229 0.000 0.777 238 P CB 0.744 32.504 31.700 0.100 0.000 0.875 239 A N 3.014 125.955 122.820 0.201 0.000 2.398 239 A HA 0.629 4.949 4.320 -0.001 0.000 0.301 239 A C -0.531 177.129 177.584 0.128 0.000 1.041 239 A CA -0.749 51.366 52.037 0.130 0.000 0.711 239 A CB 0.866 19.926 19.000 0.100 0.000 1.240 239 A HN 0.416 nan 8.150 nan 0.000 0.420 240 I N 2.294 122.888 120.570 0.040 0.000 2.336 240 I HA 0.185 4.355 4.170 -0.001 0.000 0.292 240 I C 0.457 176.589 176.117 0.025 0.000 0.991 240 I CA -0.347 60.989 61.300 0.060 0.000 1.227 240 I CB 1.607 39.610 38.000 0.005 0.000 1.366 240 I HN 0.862 nan 8.210 nan 0.000 0.466 241 N N 5.525 124.245 118.700 0.034 0.000 2.508 241 N HA 0.121 4.861 4.740 -0.001 0.000 0.253 241 N C 0.699 176.223 175.510 0.024 0.000 1.145 241 N CA -0.293 52.749 53.050 -0.013 0.000 0.973 241 N CB 0.940 39.404 38.487 -0.039 0.000 1.305 241 N HN 0.444 nan 8.380 nan 0.000 0.506 242 V N 3.577 123.499 119.914 0.013 0.000 2.719 242 V HA -0.172 3.948 4.120 -0.001 0.000 0.252 242 V C 2.394 178.505 176.094 0.027 0.000 1.065 242 V CA 1.020 63.337 62.300 0.028 0.000 1.086 242 V CB -0.761 31.083 31.823 0.036 0.000 0.700 242 V HN 0.784 nan 8.190 nan 0.000 0.467 243 N N 0.860 119.568 118.700 0.013 0.000 2.094 243 N HA -0.208 4.532 4.740 -0.001 0.000 0.191 243 N C 0.977 176.506 175.510 0.031 0.000 1.023 243 N CA 1.772 54.831 53.050 0.014 0.000 0.857 243 N CB -0.052 38.434 38.487 -0.003 0.000 1.013 243 N HN 0.439 nan 8.380 nan 0.000 0.426 244 D N 0.565 120.993 120.400 0.047 0.000 2.325 244 D HA 0.077 4.716 4.640 -0.001 0.000 0.234 244 D C -0.047 176.294 176.300 0.067 0.000 1.122 244 D CA 0.066 54.106 54.000 0.066 0.000 0.850 244 D CB 0.141 40.999 40.800 0.098 0.000 0.921 244 D HN 0.102 nan 8.370 nan 0.000 0.513 245 S N 0.023 115.753 115.700 0.050 0.000 2.568 245 S HA 0.031 4.500 4.470 -0.001 0.000 0.282 245 S C 2.007 176.624 174.600 0.028 0.000 1.338 245 S CA -0.630 57.590 58.200 0.035 0.000 1.045 245 S CB 1.989 65.197 63.200 0.013 0.000 0.873 245 S HN -0.038 nan 8.310 nan 0.000 0.516 246 V N 2.253 122.165 119.914 -0.003 0.000 2.407 246 V HA -0.191 3.929 4.120 -0.001 0.000 0.248 246 V C 2.659 178.805 176.094 0.087 0.000 1.055 246 V CA 2.170 64.450 62.300 -0.034 0.000 1.049 246 V CB -1.682 29.952 31.823 -0.314 0.000 0.662 246 V HN 1.092 nan 8.190 nan 0.000 0.455 247 T N -3.054 111.487 114.554 -0.022 0.000 3.118 247 T HA -0.058 4.291 4.350 -0.001 0.000 0.260 247 T C 1.669 176.360 174.700 -0.015 0.000 1.139 247 T CA 0.801 62.809 62.100 -0.153 0.000 1.085 247 T CB 0.123 68.788 68.868 -0.338 0.000 0.934 247 T HN 0.295 nan 8.240 nan 0.000 0.518 248 K N 1.959 122.386 120.400 0.045 0.000 2.139 248 K HA 0.079 4.399 4.320 -0.001 0.000 0.217 248 K C 2.725 179.375 176.600 0.084 0.000 1.025 248 K CA 1.398 57.714 56.287 0.049 0.000 0.947 248 K CB -0.783 31.731 32.500 0.024 0.000 0.897 248 K HN 0.425 nan 8.250 nan 0.000 0.457 249 S N 1.978 117.708 115.700 0.051 0.000 2.399 249 S HA -0.186 4.284 4.470 -0.001 0.000 0.235 249 S C 1.531 176.105 174.600 -0.043 0.000 1.063 249 S CA 1.498 59.704 58.200 0.010 0.000 1.070 249 S CB -0.352 62.853 63.200 0.009 0.000 0.904 249 S HN 0.270 nan 8.310 nan 0.000 0.456 250 K N -0.244 120.153 120.400 -0.005 0.000 2.404 250 K HA 0.327 4.646 4.320 -0.001 0.000 0.194 250 K C 0.682 176.904 176.600 -0.630 0.000 1.023 250 K CA 0.269 56.394 56.287 -0.270 0.000 1.094 250 K CB -0.057 32.302 32.500 -0.235 0.000 0.841 250 K HN 0.552 nan 8.250 nan 0.000 0.523 251 F N 0.029 119.888 119.950 -0.150 0.000 2.421 251 F HA 0.044 4.571 4.527 -0.001 0.000 0.270 251 F C 2.099 177.853 175.800 -0.076 0.000 0.894 251 F CA -0.025 57.960 58.000 -0.026 0.000 1.128 251 F CB 0.035 39.052 39.000 0.028 0.000 1.011 251 F HN -0.100 nan 8.300 nan 0.000 0.788 252 D N 0.832 121.297 120.400 0.109 0.000 2.084 252 D HA -0.143 4.496 4.640 -0.001 0.000 0.199 252 D C 1.429 177.714 176.300 -0.025 0.000 0.981 252 D CA 1.707 55.733 54.000 0.043 0.000 0.841 252 D CB -0.333 40.523 40.800 0.092 0.000 0.997 252 D HN 0.048 nan 8.370 nan 0.000 0.454 253 N N 0.530 119.233 118.700 0.006 0.000 2.192 253 N HA -0.151 4.589 4.740 -0.001 0.000 0.188 253 N C 1.599 177.025 175.510 -0.139 0.000 1.013 253 N CA 1.016 54.056 53.050 -0.016 0.000 0.863 253 N CB -0.103 38.362 38.487 -0.036 0.000 0.990 253 N HN 0.365 nan 8.380 nan 0.000 0.430 254 K N -0.827 119.410 120.400 -0.273 0.000 2.159 254 K HA 0.064 4.383 4.320 -0.001 0.000 0.210 254 K C 1.334 177.726 176.600 -0.346 0.000 1.026 254 K CA 0.229 56.273 56.287 -0.406 0.000 0.959 254 K CB -0.144 31.933 32.500 -0.706 0.000 0.890 254 K HN -0.042 nan 8.250 nan 0.000 0.459 255 Y N 0.695 120.897 120.300 -0.164 0.000 2.352 255 Y HA 0.036 4.586 4.550 -0.001 0.000 0.292 255 Y C 2.205 178.004 175.900 -0.167 0.000 1.136 255 Y CA 1.053 59.079 58.100 -0.124 0.000 1.227 255 Y CB -0.884 37.533 38.460 -0.071 0.000 0.991 255 Y HN 0.307 nan 8.280 nan 0.000 0.545 256 G N -0.799 107.856 108.800 -0.243 0.000 2.404 256 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.215 256 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.215 256 G C 1.755 176.315 174.900 -0.566 0.000 1.174 256 G CA 1.486 46.161 45.100 -0.709 0.000 0.780 256 G HN 0.326 nan 8.290 nan 0.000 0.537 257 T N 0.277 114.577 114.554 -0.423 0.000 2.788 257 T HA -0.098 4.251 4.350 -0.001 0.000 0.268 257 T C 2.278 176.972 174.700 -0.010 0.000 1.044 257 T CA 1.205 63.268 62.100 -0.063 0.000 1.139 257 T CB -0.125 68.734 68.868 -0.014 0.000 0.867 257 T HN 0.308 nan 8.240 nan 0.000 0.454 258 R N 0.001 120.495 120.500 -0.010 0.000 2.127 258 R HA -0.175 4.164 4.340 -0.001 0.000 0.238 258 R C 2.385 178.718 176.300 0.057 0.000 1.134 258 R CA 1.350 57.474 56.100 0.040 0.000 0.975 258 R CB -0.259 30.101 30.300 0.101 0.000 0.865 258 R HN 0.524 nan 8.270 nan 0.000 0.447 259 H N -0.332 118.733 119.070 -0.008 0.000 2.294 259 H HA -0.015 4.540 4.556 -0.000 0.000 0.306 259 H C 1.923 177.272 175.328 0.035 0.000 1.065 259 H CA 1.977 58.033 56.048 0.014 0.000 1.343 259 H CB -0.010 29.760 29.762 0.014 0.000 1.396 259 H HN 0.347 nan 8.280 nan 0.000 0.506 260 S N 0.620 116.458 115.700 0.230 0.000 2.501 260 S HA -0.050 4.420 4.470 -0.001 0.000 0.220 260 S C 2.183 176.851 174.600 0.112 0.000 0.997 260 S CA 0.495 58.834 58.200 0.231 0.000 0.919 260 S CB -0.303 63.107 63.200 0.350 0.000 0.778 260 S HN 0.289 nan 8.310 nan 0.000 0.523 261 L N 2.776 124.044 121.223 0.074 0.000 1.994 261 L HA 0.077 4.416 4.340 -0.001 0.000 0.208 261 L C 2.123 179.002 176.870 0.014 0.000 1.071 261 L CA 2.012 56.876 54.840 0.040 0.000 0.745 261 L CB -0.754 41.318 42.059 0.022 0.000 0.892 261 L HN 0.561 nan 8.230 nan 0.000 0.431 262 I N -3.578 116.985 120.570 -0.012 0.000 2.876 262 I HA -0.016 4.153 4.170 -0.001 0.000 0.264 262 I C 2.029 178.130 176.117 -0.027 0.000 1.204 262 I CA 1.307 62.593 61.300 -0.023 0.000 1.485 262 I CB -0.814 37.165 38.000 -0.034 0.000 1.103 262 I HN 0.186 nan 8.210 nan 0.000 0.446 263 D N 1.930 122.305 120.400 -0.041 0.000 2.103 263 D HA -0.169 4.471 4.640 -0.001 0.000 0.190 263 D C 2.335 178.646 176.300 0.019 0.000 0.997 263 D CA 2.220 56.211 54.000 -0.014 0.000 0.833 263 D CB -0.622 40.184 40.800 0.011 0.000 0.961 263 D HN 0.388 nan 8.370 nan 0.000 0.447 264 G N 0.312 109.132 108.800 0.033 0.000 2.476 264 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.218 264 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.218 264 G C 1.947 176.859 174.900 0.020 0.000 1.164 264 G CA 1.112 46.231 45.100 0.032 0.000 0.768 264 G HN 0.409 nan 8.290 nan 0.000 0.560 265 I N 0.903 121.483 120.570 0.016 0.000 2.252 265 I HA -0.134 4.035 4.170 -0.001 0.000 0.245 265 I C 2.532 178.656 176.117 0.012 0.000 1.102 265 I CA 0.689 61.997 61.300 0.014 0.000 1.385 265 I CB -0.275 37.732 38.000 0.012 0.000 1.064 265 I HN 0.033 nan 8.210 nan 0.000 0.414 266 N N 1.159 119.864 118.700 0.007 0.000 2.021 266 N HA -0.209 4.531 4.740 -0.001 0.000 0.198 266 N C 1.932 177.448 175.510 0.011 0.000 1.041 266 N CA 1.595 54.649 53.050 0.006 0.000 0.862 266 N CB -0.377 38.109 38.487 -0.001 0.000 1.048 266 N HN 0.337 nan 8.380 nan 0.000 0.427 267 R N -0.325 120.183 120.500 0.014 0.000 2.073 267 R HA 0.031 4.371 4.340 -0.001 0.000 0.229 267 R C 2.334 178.640 176.300 0.011 0.000 1.120 267 R CA 1.210 57.319 56.100 0.016 0.000 0.967 267 R CB -0.665 29.649 30.300 0.024 0.000 0.862 267 R HN 0.284 nan 8.270 nan 0.000 0.436 268 G N 0.040 108.845 108.800 0.009 0.000 2.408 268 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.217 268 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.217 268 G C 1.443 176.349 174.900 0.010 0.000 1.150 268 G CA 1.580 46.683 45.100 0.005 0.000 0.776 268 G HN 0.493 nan 8.290 nan 0.000 0.542 269 T N -4.377 110.187 114.554 0.015 0.000 2.966 269 T HA 0.131 4.480 4.350 -0.001 0.000 0.254 269 T C 0.889 175.602 174.700 0.022 0.000 0.961 269 T CA 0.908 63.021 62.100 0.022 0.000 0.915 269 T CB 0.282 69.168 68.868 0.029 0.000 1.186 269 T HN 0.158 nan 8.240 nan 0.000 0.505 270 D N 1.913 122.323 120.400 0.017 0.000 2.931 270 D HA -0.156 4.484 4.640 -0.001 0.000 0.228 270 D C 0.431 176.742 176.300 0.017 0.000 1.180 270 D CA 0.950 54.958 54.000 0.014 0.000 0.784 270 D CB -1.483 39.324 40.800 0.012 0.000 1.093 270 D HN 0.879 nan 8.370 nan 0.000 0.421 271 A N 0.399 123.232 122.820 0.022 0.000 2.488 271 A HA 0.317 4.636 4.320 -0.001 0.000 0.249 271 A C 0.580 178.174 177.584 0.017 0.000 1.083 271 A CA -0.379 51.672 52.037 0.024 0.000 0.768 271 A CB 0.479 19.498 19.000 0.031 0.000 1.017 271 A HN 0.297 nan 8.150 nan 0.000 0.496 272 L N 3.147 124.379 121.223 0.015 0.000 2.601 272 L HA 0.034 4.373 4.340 -0.001 0.000 0.277 272 L C 0.828 177.707 176.870 0.014 0.000 1.219 272 L CA 0.732 55.580 54.840 0.013 0.000 0.915 272 L CB -0.076 41.989 42.059 0.012 0.000 1.160 272 L HN 0.717 nan 8.230 nan 0.000 0.494 273 I N 3.711 124.288 120.570 0.012 0.000 2.429 273 I HA 0.104 4.274 4.170 -0.001 0.000 0.247 273 I C 1.561 177.687 176.117 0.016 0.000 1.099 273 I CA 0.695 62.002 61.300 0.013 0.000 1.422 273 I CB -0.633 37.373 38.000 0.009 0.000 1.112 273 I HN 0.872 nan 8.210 nan 0.000 0.430 274 G N 0.178 108.987 108.800 0.016 0.000 2.368 274 G HA2 0.218 4.177 3.960 -0.001 0.000 0.233 274 G HA3 0.218 4.177 3.960 -0.001 0.000 0.233 274 G C 1.205 176.115 174.900 0.018 0.000 1.267 274 G CA 0.307 45.417 45.100 0.018 0.000 0.873 274 G HN 0.686 nan 8.290 nan 0.000 0.539 275 G N 1.163 109.975 108.800 0.021 0.000 2.322 275 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.264 275 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.264 275 G C 0.806 175.719 174.900 0.021 0.000 0.992 275 G CA 1.110 46.222 45.100 0.020 0.000 0.624 275 G HN 0.796 nan 8.290 nan 0.000 0.543 276 K N 0.659 121.072 120.400 0.021 0.000 2.168 276 K HA 0.464 4.783 4.320 -0.001 0.000 0.258 276 K C 0.445 177.058 176.600 0.022 0.000 1.010 276 K CA -0.497 55.803 56.287 0.021 0.000 0.929 276 K CB 0.871 33.383 32.500 0.021 0.000 0.998 276 K HN 0.307 nan 8.250 nan 0.000 0.479 277 K N 0.952 121.364 120.400 0.020 0.000 2.234 277 K HA 0.294 4.613 4.320 -0.001 0.000 0.282 277 K C -0.866 175.740 176.600 0.010 0.000 1.039 277 K CA -0.395 55.902 56.287 0.017 0.000 0.928 277 K CB 0.835 33.344 32.500 0.016 0.000 1.039 277 K HN 0.179 nan 8.250 nan 0.000 0.470 278 V N 5.029 124.944 119.914 0.001 0.000 2.709 278 V HA 0.374 4.494 4.120 -0.001 0.000 0.308 278 V C -1.236 174.837 176.094 -0.034 0.000 1.062 278 V CA -1.032 61.259 62.300 -0.015 0.000 0.901 278 V CB 1.748 33.558 31.823 -0.021 0.000 1.003 278 V HN 0.564 nan 8.190 nan 0.000 0.425 279 L N 6.152 127.353 121.223 -0.036 0.000 2.319 279 L HA 0.670 5.010 4.340 -0.001 0.000 0.281 279 L C -1.019 175.817 176.870 -0.055 0.000 1.005 279 L CA -0.046 54.764 54.840 -0.049 0.000 0.828 279 L CB 1.302 43.337 42.059 -0.041 0.000 1.227 279 L HN 0.425 nan 8.230 nan 0.000 0.415 280 I N 4.842 125.367 120.570 -0.075 0.000 2.355 280 I HA 0.280 4.449 4.170 -0.001 0.000 0.288 280 I C -0.578 175.515 176.117 -0.040 0.000 0.999 280 I CA -0.425 60.838 61.300 -0.063 0.000 1.163 280 I CB 1.238 39.182 38.000 -0.094 0.000 1.316 280 I HN 0.570 nan 8.210 nan 0.000 0.454 281 C N 5.173 124.459 119.300 -0.023 0.000 2.246 281 C HA 0.793 5.252 4.460 -0.001 0.000 0.329 281 C C 0.795 175.790 174.990 0.009 0.000 1.221 281 C CA -0.256 58.754 59.018 -0.014 0.000 1.697 281 C CB -0.302 27.426 27.740 -0.020 0.000 2.312 281 C HN 1.063 nan 8.230 nan 0.000 0.509 282 G N 2.496 111.315 108.800 0.032 0.000 2.784 282 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.686 282 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.686 282 G C -1.166 173.811 174.900 0.128 0.000 1.156 282 G CA -0.616 44.518 45.100 0.057 0.000 0.757 282 G HN 0.743 nan 8.290 nan 0.000 0.642 283 Y N 1.984 122.266 120.300 -0.029 0.000 2.685 283 Y HA 0.505 5.055 4.550 -0.001 0.000 0.257 283 Y C 1.304 177.192 175.900 -0.019 0.000 1.053 283 Y CA 0.409 58.493 58.100 -0.026 0.000 1.106 283 Y CB 0.144 38.600 38.460 -0.006 0.000 1.193 283 Y HN 1.028 nan 8.280 nan 0.000 0.602 284 G N 0.047 108.809 108.800 -0.064 0.000 2.489 284 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.271 284 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.271 284 G C 0.684 175.450 174.900 -0.223 0.000 1.427 284 G CA 0.196 45.230 45.100 -0.111 0.000 1.057 284 G HN 0.265 nan 8.290 nan 0.000 0.532 285 D N -1.118 119.176 120.400 -0.177 0.000 2.133 285 D HA -0.147 4.493 4.640 -0.001 0.000 0.195 285 D C 2.660 178.832 176.300 -0.214 0.000 0.997 285 D CA 1.073 54.943 54.000 -0.216 0.000 0.840 285 D CB -0.296 40.403 40.800 -0.168 0.000 0.947 285 D HN 0.063 nan 8.370 nan 0.000 0.452 286 V N 1.000 120.831 119.914 -0.138 0.000 2.283 286 V HA -0.102 4.018 4.120 -0.001 0.000 0.243 286 V C 2.628 178.654 176.094 -0.113 0.000 1.039 286 V CA 1.994 64.238 62.300 -0.093 0.000 1.016 286 V CB -0.977 30.828 31.823 -0.030 0.000 0.650 286 V HN 0.235 nan 8.190 nan 0.000 0.449 287 G N -0.403 108.327 108.800 -0.117 0.000 2.450 287 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.220 287 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.220 287 G C 1.645 176.412 174.900 -0.222 0.000 1.130 287 G CA 1.030 46.066 45.100 -0.105 0.000 0.760 287 G HN 0.463 nan 8.290 nan 0.000 0.557 288 K N -0.010 120.104 120.400 -0.477 0.000 2.009 288 K HA -0.066 4.253 4.320 -0.001 0.000 0.210 288 K C 2.754 179.216 176.600 -0.230 0.000 1.049 288 K CA 1.282 57.241 56.287 -0.548 0.000 0.929 288 K CB -0.492 31.646 32.500 -0.603 0.000 0.714 288 K HN 0.267 nan 8.250 nan 0.000 0.440 289 G N 0.589 109.271 108.800 -0.195 0.000 2.402 289 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.216 289 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.216 289 G C 1.626 176.494 174.900 -0.055 0.000 1.162 289 G CA 0.995 46.031 45.100 -0.107 0.000 0.777 289 G HN 0.337 nan 8.290 nan 0.000 0.539 290 C N 1.003 120.263 119.300 -0.066 0.000 2.393 290 C HA 0.005 4.465 4.460 -0.001 0.000 0.276 290 C C 3.556 178.508 174.990 -0.063 0.000 1.215 290 C CA 1.186 60.175 59.018 -0.049 0.000 1.743 290 C CB -1.052 26.658 27.740 -0.051 0.000 2.044 290 C HN 0.574 nan 8.230 nan 0.000 0.464 291 A N 0.065 122.824 122.820 -0.101 0.000 1.902 291 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 291 A C 2.146 179.707 177.584 -0.038 0.000 1.181 291 A CA 1.936 53.842 52.037 -0.218 0.000 0.623 291 A CB -0.727 18.048 19.000 -0.374 0.000 0.818 291 A HN 0.761 nan 8.150 nan 0.000 0.443 292 E N -0.039 120.207 120.200 0.078 0.000 2.106 292 E HA -0.058 4.292 4.350 -0.001 0.000 0.192 292 E C 2.048 178.704 176.600 0.094 0.000 0.984 292 E CA 0.963 57.456 56.400 0.155 0.000 0.806 292 E CB -0.279 29.505 29.700 0.140 0.000 0.750 292 E HN 0.493 nan 8.360 nan 0.000 0.458 293 A N 1.347 124.194 122.820 0.046 0.000 1.877 293 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 293 A C 2.240 179.840 177.584 0.026 0.000 1.186 293 A CA 1.757 53.811 52.037 0.029 0.000 0.620 293 A CB -0.418 18.586 19.000 0.007 0.000 0.822 293 A HN 0.294 nan 8.150 nan 0.000 0.443 294 M N -0.396 119.213 119.600 0.014 0.000 2.099 294 M HA -0.112 4.368 4.480 -0.001 0.000 0.262 294 M C 2.178 178.509 176.300 0.051 0.000 1.067 294 M CA 2.037 57.346 55.300 0.014 0.000 1.124 294 M CB -1.211 31.378 32.600 -0.019 0.000 1.353 294 M HN 0.612 nan 8.290 nan 0.000 0.410 295 K N 0.333 120.793 120.400 0.100 0.000 2.127 295 K HA -0.173 4.147 4.320 -0.001 0.000 0.208 295 K C 1.841 178.502 176.600 0.101 0.000 1.047 295 K CA 1.888 58.271 56.287 0.160 0.000 0.927 295 K CB -0.504 32.184 32.500 0.313 0.000 0.716 295 K HN 0.405 nan 8.250 nan 0.000 0.450 296 G N -0.103 108.746 108.800 0.081 0.000 2.559 296 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.216 296 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.216 296 G C 1.211 176.133 174.900 0.036 0.000 1.126 296 G CA 0.155 45.288 45.100 0.054 0.000 0.778 296 G HN 0.322 nan 8.290 nan 0.000 0.543 297 Q N -0.594 119.227 119.800 0.035 0.000 2.247 297 Q HA 0.207 4.547 4.340 -0.001 0.000 0.211 297 Q C 1.473 177.489 176.000 0.026 0.000 0.861 297 Q CA 0.525 56.341 55.803 0.022 0.000 0.949 297 Q CB 1.014 29.759 28.738 0.012 0.000 1.115 297 Q HN 0.502 nan 8.270 nan 0.000 0.507 298 G N 0.777 109.599 108.800 0.038 0.000 2.141 298 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.231 298 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.231 298 G C 0.311 175.234 174.900 0.040 0.000 0.984 298 G CA 0.108 45.230 45.100 0.036 0.000 0.660 298 G HN 0.504 nan 8.290 nan 0.000 0.525 299 A N -0.086 122.762 122.820 0.046 0.000 2.332 299 A HA 0.736 5.056 4.320 -0.001 0.000 0.258 299 A C 0.759 178.382 177.584 0.065 0.000 1.087 299 A CA -0.084 51.979 52.037 0.044 0.000 0.802 299 A CB 0.342 19.361 19.000 0.032 0.000 1.042 299 A HN 0.474 nan 8.150 nan 0.000 0.489 300 R N 0.995 121.528 120.500 0.055 0.000 2.230 300 R HA 0.414 4.754 4.340 -0.001 0.000 0.337 300 R C -1.333 175.006 176.300 0.065 0.000 1.063 300 R CA -0.274 55.867 56.100 0.068 0.000 0.935 300 R CB 0.878 31.206 30.300 0.046 0.000 1.121 300 R HN 0.406 nan 8.270 nan 0.000 0.486 301 V N 2.455 122.435 119.914 0.110 0.000 2.435 301 V HA 0.324 4.444 4.120 -0.001 0.000 0.290 301 V C 0.049 176.175 176.094 0.053 0.000 1.030 301 V CA -0.372 61.941 62.300 0.023 0.000 0.881 301 V CB 1.847 33.587 31.823 -0.138 0.000 0.983 301 V HN 0.715 nan 8.190 nan 0.000 0.445 302 S N 2.928 118.611 115.700 -0.029 0.000 2.677 302 S HA 0.824 5.294 4.470 -0.001 0.000 0.304 302 S C -0.703 173.838 174.600 -0.098 0.000 1.108 302 S CA -0.614 57.578 58.200 -0.014 0.000 0.944 302 S CB 2.290 65.489 63.200 -0.002 0.000 1.127 302 S HN 0.430 nan 8.310 nan 0.000 0.511 303 V N 1.490 121.352 119.914 -0.086 0.000 2.914 303 V HA 0.724 4.843 4.120 -0.001 0.000 0.314 303 V C -0.075 175.981 176.094 -0.063 0.000 1.084 303 V CA -0.657 61.576 62.300 -0.111 0.000 0.963 303 V CB 2.331 34.029 31.823 -0.208 0.000 1.025 303 V HN 1.062 nan 8.190 nan 0.000 0.432 304 T N 0.851 115.380 114.554 -0.042 0.000 2.888 304 T HA 0.824 5.173 4.350 -0.001 0.000 0.284 304 T C -0.843 173.854 174.700 -0.004 0.000 1.017 304 T CA -0.507 61.575 62.100 -0.030 0.000 1.022 304 T CB 2.083 70.927 68.868 -0.040 0.000 1.013 304 T HN 0.602 nan 8.240 nan 0.000 0.465 305 E N 1.122 121.321 120.200 -0.003 0.000 2.412 305 E HA 0.342 4.691 4.350 -0.001 0.000 0.279 305 E C 0.224 176.830 176.600 0.009 0.000 0.984 305 E CA -0.569 55.842 56.400 0.018 0.000 0.788 305 E CB 1.965 31.685 29.700 0.033 0.000 1.277 305 E HN 0.778 nan 8.360 nan 0.000 0.455 306 I N -2.209 118.370 120.570 0.015 0.000 3.939 306 I HA 0.324 4.493 4.170 -0.001 0.000 0.313 306 I C 0.635 176.760 176.117 0.013 0.000 1.274 306 I CA 0.083 61.389 61.300 0.010 0.000 1.301 306 I CB 0.380 38.385 38.000 0.009 0.000 1.105 306 I HN 0.086 nan 8.210 nan 0.000 0.427 307 D N 3.253 123.666 120.400 0.023 0.000 2.313 307 D HA 0.228 4.868 4.640 -0.001 0.000 0.239 307 D C -1.542 174.774 176.300 0.026 0.000 1.142 307 D CA -2.458 51.557 54.000 0.025 0.000 0.847 307 D CB 1.868 42.688 40.800 0.033 0.000 1.082 307 D HN 0.000 nan 8.370 nan 0.000 0.480 308 P HA -0.118 nan 4.420 nan 0.000 0.217 308 P C 1.834 179.147 177.300 0.021 0.000 1.150 308 P CA 0.800 63.908 63.100 0.013 0.000 0.832 308 P CB 0.510 32.214 31.700 0.007 0.000 0.787 309 I N 0.327 120.913 120.570 0.027 0.000 2.127 309 I HA -0.247 3.922 4.170 -0.001 0.000 0.241 309 I C 2.420 178.575 176.117 0.064 0.000 1.075 309 I CA 1.544 62.866 61.300 0.036 0.000 1.334 309 I CB -1.001 37.018 38.000 0.032 0.000 1.040 309 I HN -0.027 nan 8.210 nan 0.000 0.405 310 N N 1.111 119.863 118.700 0.087 0.000 2.166 310 N HA -0.137 4.602 4.740 -0.001 0.000 0.186 310 N C 1.982 177.584 175.510 0.153 0.000 1.019 310 N CA 1.484 54.637 53.050 0.172 0.000 0.856 310 N CB -0.132 38.461 38.487 0.176 0.000 0.993 310 N HN 0.372 nan 8.380 nan 0.000 0.426 311 A N 1.598 124.452 122.820 0.057 0.000 1.877 311 A HA -0.107 4.213 4.320 -0.001 0.000 0.216 311 A C 2.225 179.786 177.584 -0.039 0.000 1.186 311 A CA 0.914 52.941 52.037 -0.017 0.000 0.620 311 A CB -0.688 18.306 19.000 -0.011 0.000 0.822 311 A HN 0.188 nan 8.150 nan 0.000 0.443 312 L N 0.010 121.231 121.223 -0.004 0.000 2.083 312 L HA -0.197 4.143 4.340 -0.001 0.000 0.209 312 L C 2.495 179.364 176.870 -0.002 0.000 1.083 312 L CA 2.099 56.934 54.840 -0.008 0.000 0.752 312 L CB -0.674 41.387 42.059 0.004 0.000 0.899 312 L HN 0.504 nan 8.230 nan 0.000 0.433 313 Q N -0.804 119.025 119.800 0.049 0.000 2.096 313 Q HA -0.247 4.093 4.340 -0.001 0.000 0.204 313 Q C 2.263 178.290 176.000 0.046 0.000 0.982 313 Q CA 1.791 57.666 55.803 0.119 0.000 0.850 313 Q CB -0.423 28.480 28.738 0.275 0.000 0.901 313 Q HN 0.698 nan 8.270 nan 0.000 0.422 314 A N 0.930 123.606 122.820 -0.240 0.000 1.883 314 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 314 A C 2.097 179.580 177.584 -0.169 0.000 1.186 314 A CA 1.582 53.327 52.037 -0.488 0.000 0.624 314 A CB -0.553 18.000 19.000 -0.745 0.000 0.822 314 A HN 0.288 nan 8.150 nan 0.000 0.444 315 M N -1.172 118.351 119.600 -0.129 0.000 2.065 315 M HA -0.181 4.299 4.480 -0.001 0.000 0.259 315 M C 2.232 178.454 176.300 -0.129 0.000 1.069 315 M CA 1.520 56.758 55.300 -0.103 0.000 1.110 315 M CB -0.542 32.019 32.600 -0.065 0.000 1.328 315 M HN 0.306 nan 8.290 nan 0.000 0.405 316 M N -0.272 119.274 119.600 -0.089 0.000 2.337 316 M HA -0.182 4.297 4.480 -0.001 0.000 0.261 316 M C 1.273 177.500 176.300 -0.121 0.000 1.067 316 M CA 1.582 56.835 55.300 -0.079 0.000 1.074 316 M CB -1.403 31.180 32.600 -0.029 0.000 1.395 316 M HN 0.253 nan 8.290 nan 0.000 0.431 317 E N -0.706 119.387 120.200 -0.179 0.000 2.465 317 E HA 0.257 4.607 4.350 -0.001 0.000 0.191 317 E C 0.945 177.084 176.600 -0.768 0.000 1.053 317 E CA 0.416 56.638 56.400 -0.296 0.000 0.869 317 E CB 0.023 29.711 29.700 -0.019 0.000 0.977 317 E HN 0.622 nan 8.360 nan 0.000 0.483 318 G N 0.371 108.800 108.800 -0.617 0.000 2.131 318 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.223 318 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.223 318 G C -0.376 174.166 174.900 -0.596 0.000 0.990 318 G CA -0.283 44.469 45.100 -0.581 0.000 0.671 318 G HN 0.137 nan 8.290 nan 0.000 0.521 319 F N 1.557 121.455 119.950 -0.088 0.000 2.449 319 F HA 0.475 5.001 4.527 -0.001 0.000 0.342 319 F C 0.331 176.066 175.800 -0.108 0.000 1.127 319 F CA -2.067 55.872 58.000 -0.102 0.000 0.975 319 F CB 1.110 40.017 39.000 -0.156 0.000 1.146 319 F HN -0.115 nan 8.300 nan 0.000 0.444 320 D N 2.029 122.490 120.400 0.101 0.000 2.548 320 D HA 0.086 4.725 4.640 -0.001 0.000 0.231 320 D C -0.243 176.069 176.300 0.021 0.000 1.142 320 D CA 0.509 54.531 54.000 0.036 0.000 0.866 320 D CB 1.239 42.055 40.800 0.028 0.000 1.190 320 D HN 0.138 nan 8.370 nan 0.000 0.469 321 V N 3.094 123.001 119.914 -0.011 0.000 2.384 321 V HA 0.388 4.507 4.120 -0.001 0.000 0.287 321 V C 0.463 176.543 176.094 -0.024 0.000 1.020 321 V CA -0.553 61.729 62.300 -0.029 0.000 0.850 321 V CB 1.434 33.232 31.823 -0.041 0.000 0.987 321 V HN 0.420 nan 8.190 nan 0.000 0.436 322 V N 1.961 121.859 119.914 -0.028 0.000 3.160 322 V HA 0.897 5.017 4.120 -0.001 0.000 0.310 322 V C -0.064 176.008 176.094 -0.036 0.000 1.181 322 V CA -0.539 61.745 62.300 -0.027 0.000 1.047 322 V CB 2.129 33.937 31.823 -0.025 0.000 1.068 322 V HN 0.804 nan 8.190 nan 0.000 0.441 323 T N -1.515 113.016 114.554 -0.039 0.000 2.944 323 T HA 0.561 4.910 4.350 -0.001 0.000 0.284 323 T C 0.909 175.559 174.700 -0.084 0.000 1.010 323 T CA 0.044 62.112 62.100 -0.053 0.000 1.025 323 T CB 1.538 70.383 68.868 -0.039 0.000 1.079 323 T HN 0.705 nan 8.240 nan 0.000 0.516 324 V N 1.262 121.094 119.914 -0.136 0.000 2.358 324 V HA -0.094 4.026 4.120 -0.001 0.000 0.246 324 V C 2.755 178.718 176.094 -0.219 0.000 1.047 324 V CA 1.965 64.126 62.300 -0.231 0.000 1.035 324 V CB -1.124 30.451 31.823 -0.413 0.000 0.658 324 V HN 0.903 nan 8.190 nan 0.000 0.452 325 E N 0.916 121.018 120.200 -0.163 0.000 2.068 325 E HA -0.294 4.056 4.350 -0.001 0.000 0.207 325 E C 2.175 178.763 176.600 -0.019 0.000 1.032 325 E CA 2.235 58.614 56.400 -0.035 0.000 0.839 325 E CB -0.378 29.326 29.700 0.008 0.000 0.758 325 E HN 0.905 nan 8.360 nan 0.000 0.457 326 E N -0.681 119.502 120.200 -0.027 0.000 2.285 326 E HA 0.018 4.367 4.350 -0.001 0.000 0.194 326 E C 1.685 178.273 176.600 -0.020 0.000 0.997 326 E CA 1.030 57.420 56.400 -0.017 0.000 0.845 326 E CB 0.058 29.748 29.700 -0.015 0.000 0.782 326 E HN 0.223 nan 8.360 nan 0.000 0.491 327 A N 0.798 123.596 122.820 -0.036 0.000 2.108 327 A HA 0.202 4.521 4.320 -0.001 0.000 0.206 327 A C 2.010 179.577 177.584 -0.028 0.000 1.212 327 A CA -0.089 51.930 52.037 -0.030 0.000 0.843 327 A CB -0.170 18.809 19.000 -0.036 0.000 0.902 327 A HN 0.222 nan 8.150 nan 0.000 0.477 328 I N 0.681 121.226 120.570 -0.042 0.000 2.335 328 I HA -0.147 4.022 4.170 -0.001 0.000 0.251 328 I C 2.141 178.258 176.117 -0.000 0.000 1.129 328 I CA 1.691 62.971 61.300 -0.033 0.000 1.402 328 I CB -0.154 37.812 38.000 -0.057 0.000 1.069 328 I HN 0.235 nan 8.210 nan 0.000 0.424 329 G N -0.706 108.097 108.800 0.005 0.000 2.509 329 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.218 329 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.218 329 G C 1.240 176.149 174.900 0.016 0.000 1.124 329 G CA 0.935 46.043 45.100 0.014 0.000 0.776 329 G HN 0.421 nan 8.290 nan 0.000 0.547 330 D N 0.005 120.411 120.400 0.010 0.000 2.417 330 D HA 0.218 4.858 4.640 -0.001 0.000 0.207 330 D C 1.310 177.619 176.300 0.015 0.000 1.075 330 D CA 0.034 54.042 54.000 0.013 0.000 0.851 330 D CB 0.636 41.441 40.800 0.008 0.000 0.976 330 D HN 0.240 nan 8.370 nan 0.000 0.505 331 A N 1.417 124.244 122.820 0.011 0.000 2.454 331 A HA 0.078 4.397 4.320 -0.001 0.000 0.260 331 A C 0.910 178.507 177.584 0.023 0.000 1.106 331 A CA -0.048 51.995 52.037 0.011 0.000 0.780 331 A CB 0.493 19.494 19.000 0.001 0.000 1.044 331 A HN -0.092 nan 8.150 nan 0.000 0.498 332 D N 1.548 121.962 120.400 0.024 0.000 2.194 332 D HA 0.068 4.708 4.640 -0.001 0.000 0.204 332 D C 0.227 176.547 176.300 0.033 0.000 0.964 332 D CA 1.455 55.475 54.000 0.034 0.000 0.846 332 D CB 0.219 41.038 40.800 0.032 0.000 0.962 332 D HN 0.586 nan 8.370 nan 0.000 0.490 333 I N 0.964 121.547 120.570 0.021 0.000 2.534 333 I HA 0.195 4.365 4.170 -0.001 0.000 0.288 333 I C -0.930 175.190 176.117 0.006 0.000 1.077 333 I CA -0.751 60.559 61.300 0.018 0.000 1.051 333 I CB 3.105 41.113 38.000 0.014 0.000 1.234 333 I HN -0.397 nan 8.210 nan 0.000 0.425 334 V N 6.745 126.664 119.914 0.008 0.000 2.495 334 V HA 0.528 4.648 4.120 -0.001 0.000 0.298 334 V C -0.323 175.771 176.094 -0.001 0.000 1.031 334 V CA -0.655 61.643 62.300 -0.003 0.000 0.871 334 V CB 2.248 34.071 31.823 -0.001 0.000 0.988 334 V HN 0.417 nan 8.190 nan 0.000 0.432 335 V N 3.493 123.401 119.914 -0.010 0.000 2.531 335 V HA 0.508 4.628 4.120 -0.001 0.000 0.301 335 V C 0.160 176.249 176.094 -0.007 0.000 1.034 335 V CA -0.615 61.682 62.300 -0.005 0.000 0.865 335 V CB 2.373 34.192 31.823 -0.008 0.000 0.995 335 V HN 0.986 nan 8.190 nan 0.000 0.424 336 T N 1.244 115.799 114.554 0.002 0.000 2.771 336 T HA 0.722 5.071 4.350 -0.001 0.000 0.291 336 T C 0.195 174.900 174.700 0.009 0.000 0.954 336 T CA 0.016 62.118 62.100 0.005 0.000 1.045 336 T CB 1.634 70.509 68.868 0.012 0.000 0.917 336 T HN 1.087 nan 8.240 nan 0.000 0.484 337 A N 2.539 125.363 122.820 0.007 0.000 2.843 337 A HA 0.457 4.777 4.320 -0.001 0.000 0.248 337 A C 1.369 178.958 177.584 0.009 0.000 0.904 337 A CA 0.009 52.050 52.037 0.007 0.000 1.091 337 A CB -0.215 18.783 19.000 -0.004 0.000 1.208 337 A HN 0.975 nan 8.150 nan 0.000 0.476 338 T N -4.644 109.921 114.554 0.017 0.000 3.039 338 T HA 0.371 4.721 4.350 -0.001 0.000 0.250 338 T C 1.676 176.391 174.700 0.026 0.000 1.052 338 T CA 1.175 63.287 62.100 0.021 0.000 1.125 338 T CB -0.080 68.801 68.868 0.022 0.000 0.908 338 T HN 1.794 nan 8.240 nan 0.000 0.473 339 G N 1.702 110.522 108.800 0.034 0.000 2.166 339 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.260 339 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.260 339 G C 0.019 174.956 174.900 0.062 0.000 0.986 339 G CA 0.342 45.470 45.100 0.047 0.000 0.683 339 G HN 0.797 nan 8.290 nan 0.000 0.527 340 N N 0.331 119.061 118.700 0.050 0.000 2.459 340 N HA 0.566 5.305 4.740 -0.001 0.000 0.288 340 N C 0.417 175.953 175.510 0.044 0.000 1.186 340 N CA -0.424 52.651 53.050 0.042 0.000 0.917 340 N CB 0.998 39.501 38.487 0.027 0.000 1.219 340 N HN 0.564 nan 8.380 nan 0.000 0.525 341 K N -0.044 120.373 120.400 0.029 0.000 2.098 341 K HA 0.340 4.660 4.320 -0.001 0.000 0.244 341 K C -0.887 175.723 176.600 0.016 0.000 1.014 341 K CA -0.342 55.957 56.287 0.020 0.000 0.917 341 K CB 0.439 32.938 32.500 -0.002 0.000 1.072 341 K HN 0.398 nan 8.250 nan 0.000 0.477 342 D N 0.296 120.705 120.400 0.015 0.000 2.708 342 D HA -0.155 4.484 4.640 -0.001 0.000 0.236 342 D C 0.772 177.099 176.300 0.044 0.000 1.146 342 D CA 0.667 54.680 54.000 0.022 0.000 0.662 342 D CB -0.892 39.913 40.800 0.009 0.000 1.059 342 D HN 0.507 nan 8.370 nan 0.000 0.428 343 I N -0.800 119.794 120.570 0.040 0.000 2.193 343 I HA -0.089 4.080 4.170 -0.001 0.000 0.240 343 I C 1.358 177.514 176.117 0.066 0.000 1.084 343 I CA 0.942 62.263 61.300 0.035 0.000 1.365 343 I CB -0.279 37.728 38.000 0.013 0.000 1.064 343 I HN 0.129 nan 8.210 nan 0.000 0.410 344 I N 2.989 123.608 120.570 0.082 0.000 2.359 344 I HA 0.270 4.440 4.170 -0.001 0.000 0.284 344 I C 0.111 176.324 176.117 0.159 0.000 1.018 344 I CA -0.455 60.934 61.300 0.148 0.000 1.173 344 I CB 1.232 39.268 38.000 0.060 0.000 1.326 344 I HN 0.010 nan 8.210 nan 0.000 0.462 345 M N 4.577 124.327 119.600 0.250 0.000 2.267 345 M HA 0.199 4.678 4.480 -0.001 0.000 0.303 345 M C 1.281 177.534 176.300 -0.079 0.000 1.164 345 M CA -0.717 54.568 55.300 -0.024 0.000 1.060 345 M CB 0.634 33.116 32.600 -0.197 0.000 1.455 345 M HN 0.434 nan 8.290 nan 0.000 0.483 346 L N 1.385 122.543 121.223 -0.109 0.000 2.043 346 L HA -0.197 4.143 4.340 -0.001 0.000 0.212 346 L C 2.151 178.917 176.870 -0.174 0.000 1.075 346 L CA 2.060 56.835 54.840 -0.108 0.000 0.752 346 L CB -0.693 41.312 42.059 -0.090 0.000 0.891 346 L HN 0.837 nan 8.230 nan 0.000 0.432 347 E N -1.426 118.632 120.200 -0.236 0.000 2.085 347 E HA -0.290 4.059 4.350 -0.001 0.000 0.194 347 E C 2.037 178.510 176.600 -0.212 0.000 0.994 347 E CA 1.761 58.000 56.400 -0.268 0.000 0.801 347 E CB -0.174 29.334 29.700 -0.321 0.000 0.743 347 E HN 0.752 nan 8.360 nan 0.000 0.453 348 H N -0.160 118.864 119.070 -0.076 0.000 2.321 348 H HA -0.089 4.467 4.556 -0.001 0.000 0.300 348 H C 2.267 177.556 175.328 -0.065 0.000 1.087 348 H CA 1.415 57.427 56.048 -0.060 0.000 1.319 348 H CB -0.016 29.722 29.762 -0.040 0.000 1.379 348 H HN 0.193 nan 8.280 nan 0.000 0.501 349 I N 1.091 121.687 120.570 0.042 0.000 2.208 349 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 349 I C 1.981 178.039 176.117 -0.099 0.000 1.097 349 I CA 1.404 62.718 61.300 0.024 0.000 1.363 349 I CB -0.258 37.789 38.000 0.078 0.000 1.051 349 I HN 0.210 nan 8.210 nan 0.000 0.413 350 K N 1.040 121.235 120.400 -0.342 0.000 2.283 350 K HA -0.053 4.267 4.320 -0.001 0.000 0.202 350 K C 2.160 178.625 176.600 -0.226 0.000 1.048 350 K CA 1.172 57.126 56.287 -0.555 0.000 0.948 350 K CB -0.176 31.942 32.500 -0.638 0.000 0.742 350 K HN 0.336 nan 8.250 nan 0.000 0.458 351 A N 1.222 123.981 122.820 -0.101 0.000 2.066 351 A HA -0.023 4.297 4.320 -0.001 0.000 0.218 351 A C 1.134 178.721 177.584 0.005 0.000 1.157 351 A CA 0.562 52.584 52.037 -0.025 0.000 0.670 351 A CB -0.275 18.741 19.000 0.027 0.000 0.804 351 A HN 0.164 nan 8.150 nan 0.000 0.453 352 M N 1.091 120.704 119.600 0.021 0.000 2.243 352 M HA 0.144 4.623 4.480 -0.001 0.000 0.341 352 M C 0.395 176.734 176.300 0.065 0.000 1.130 352 M CA -0.155 55.175 55.300 0.050 0.000 1.162 352 M CB 0.671 33.315 32.600 0.073 0.000 1.497 352 M HN 0.368 nan 8.290 nan 0.000 0.456 353 K N 0.943 121.382 120.400 0.064 0.000 2.355 353 K HA 0.080 4.399 4.320 -0.001 0.000 0.270 353 K C -0.475 176.193 176.600 0.113 0.000 1.003 353 K CA -0.667 55.667 56.287 0.078 0.000 0.957 353 K CB 0.321 32.860 32.500 0.065 0.000 0.939 353 K HN 0.463 nan 8.250 nan 0.000 0.482 354 D N 1.836 122.315 120.400 0.133 0.000 2.658 354 D HA -0.178 4.462 4.640 -0.001 0.000 0.230 354 D C -0.091 176.366 176.300 0.261 0.000 1.118 354 D CA 1.206 55.322 54.000 0.194 0.000 0.848 354 D CB -0.013 40.908 40.800 0.201 0.000 1.160 354 D HN 0.811 nan 8.370 nan 0.000 0.497 355 H N -0.085 119.028 119.070 0.071 0.000 3.080 355 H HA -0.207 4.349 4.556 0.000 0.000 0.254 355 H C 0.195 175.556 175.328 0.054 0.000 1.179 355 H CA 0.506 56.589 56.048 0.058 0.000 1.144 355 H CB -1.615 28.171 29.762 0.041 0.000 1.261 355 H HN 0.510 nan 8.280 nan 0.000 0.333 356 A N 0.895 123.788 122.820 0.121 0.000 2.386 356 A HA 0.519 4.838 4.320 -0.001 0.000 0.246 356 A C 0.729 178.353 177.584 0.068 0.000 1.089 356 A CA 0.053 52.142 52.037 0.086 0.000 0.790 356 A CB 0.533 19.577 19.000 0.073 0.000 1.042 356 A HN 0.299 nan 8.150 nan 0.000 0.497 357 I N 0.529 121.132 120.570 0.055 0.000 2.404 357 I HA 0.381 4.550 4.170 -0.001 0.000 0.293 357 I C -0.827 175.314 176.117 0.039 0.000 0.992 357 I CA -0.533 60.795 61.300 0.047 0.000 1.149 357 I CB 1.721 39.747 38.000 0.043 0.000 1.315 357 I HN 0.521 nan 8.210 nan 0.000 0.446 358 L N 6.071 127.318 121.223 0.041 0.000 2.356 358 L HA 0.897 5.237 4.340 -0.001 0.000 0.277 358 L C -0.353 176.535 176.870 0.030 0.000 0.996 358 L CA 0.138 54.997 54.840 0.033 0.000 0.822 358 L CB 1.609 43.688 42.059 0.034 0.000 1.256 358 L HN 0.628 nan 8.230 nan 0.000 0.413 359 G N 2.535 111.349 108.800 0.024 0.000 2.660 359 G HA2 0.434 4.393 3.960 -0.001 0.000 0.294 359 G HA3 0.434 4.393 3.960 -0.001 0.000 0.294 359 G C -1.920 172.994 174.900 0.024 0.000 1.369 359 G CA -0.713 44.403 45.100 0.027 0.000 0.912 359 G HN 0.636 nan 8.290 nan 0.000 0.479 360 N N -0.045 118.673 118.700 0.030 0.000 2.342 360 N HA 0.424 5.164 4.740 -0.001 0.000 0.293 360 N C -0.222 175.305 175.510 0.029 0.000 1.026 360 N CA -0.805 52.263 53.050 0.029 0.000 0.857 360 N CB 1.888 40.396 38.487 0.034 0.000 1.256 360 N HN 0.324 nan 8.380 nan 0.000 0.484 361 I N 1.506 122.091 120.570 0.025 0.000 4.081 361 I HA 0.463 4.632 4.170 -0.001 0.000 0.333 361 I C 0.672 176.806 176.117 0.029 0.000 1.413 361 I CA -0.350 60.967 61.300 0.028 0.000 1.110 361 I CB -0.069 37.951 38.000 0.033 0.000 1.082 361 I HN 0.608 nan 8.210 nan 0.000 0.402 362 G N -1.062 107.752 108.800 0.024 0.000 2.528 362 G HA2 0.025 3.984 3.960 -0.001 0.000 0.289 362 G HA3 0.025 3.984 3.960 -0.001 0.000 0.289 362 G C 0.287 175.190 174.900 0.005 0.000 1.192 362 G CA -0.190 44.925 45.100 0.024 0.000 0.921 362 G HN 0.376 nan 8.290 nan 0.000 0.512 363 H N -0.467 118.519 119.070 -0.141 0.000 2.457 363 H HA 0.135 4.691 4.556 -0.001 0.000 0.294 363 H C -0.197 174.886 175.328 -0.408 0.000 1.064 363 H CA 0.891 56.756 56.048 -0.305 0.000 1.330 363 H CB -0.027 29.459 29.762 -0.459 0.000 1.395 363 H HN 0.210 nan 8.280 nan 0.000 0.541 364 F N 0.019 119.890 119.950 -0.132 0.000 2.577 364 F HA 0.161 4.687 4.527 -0.001 0.000 0.318 364 F C 0.879 176.630 175.800 -0.081 0.000 1.065 364 F CA -1.415 56.484 58.000 -0.169 0.000 0.929 364 F CB 1.144 40.078 39.000 -0.109 0.000 1.237 364 F HN 0.067 nan 8.300 nan 0.000 0.468 365 D N 0.091 120.575 120.400 0.140 0.000 2.429 365 D HA -0.183 4.457 4.640 -0.001 0.000 0.237 365 D C 0.507 176.838 176.300 0.051 0.000 1.045 365 D CA 0.774 54.819 54.000 0.074 0.000 0.974 365 D CB -0.662 40.169 40.800 0.051 0.000 0.871 365 D HN 0.560 nan 8.370 nan 0.000 0.525 366 N N -0.115 118.623 118.700 0.063 0.000 2.230 366 N HA -0.043 4.697 4.740 -0.001 0.000 0.202 366 N C 0.969 176.498 175.510 0.031 0.000 1.119 366 N CA -0.168 52.898 53.050 0.026 0.000 0.851 366 N CB -0.106 38.381 38.487 0.000 0.000 0.990 366 N HN 0.259 nan 8.380 nan 0.000 0.497 367 E N 0.539 120.767 120.200 0.046 0.000 2.107 367 E HA 0.066 4.415 4.350 -0.001 0.000 0.191 367 E C 0.232 176.849 176.600 0.028 0.000 0.982 367 E CA 0.649 57.072 56.400 0.038 0.000 0.809 367 E CB 0.323 30.047 29.700 0.040 0.000 0.756 367 E HN 0.432 nan 8.360 nan 0.000 0.459 368 I N 1.978 122.561 120.570 0.022 0.000 2.385 368 I HA 0.033 4.202 4.170 -0.001 0.000 0.294 368 I C 0.272 176.386 176.117 -0.005 0.000 0.988 368 I CA -0.588 60.718 61.300 0.010 0.000 1.265 368 I CB 0.988 38.988 38.000 -0.001 0.000 1.388 368 I HN -0.201 nan 8.210 nan 0.000 0.480 369 D N 6.520 126.912 120.400 -0.014 0.000 2.662 369 D HA -0.008 4.632 4.640 -0.001 0.000 0.228 369 D C 1.128 177.387 176.300 -0.069 0.000 1.090 369 D CA 0.260 54.239 54.000 -0.035 0.000 1.118 369 D CB 0.438 41.215 40.800 -0.039 0.000 1.129 369 D HN 0.341 nan 8.370 nan 0.000 0.472 370 M N 0.790 120.351 119.600 -0.064 0.000 2.175 370 M HA -0.075 4.404 4.480 -0.001 0.000 0.264 370 M C 2.103 178.350 176.300 -0.089 0.000 1.063 370 M CA 0.703 55.944 55.300 -0.098 0.000 1.119 370 M CB -1.132 31.442 32.600 -0.043 0.000 1.377 370 M HN 0.366 nan 8.290 nan 0.000 0.415 371 A N 0.595 123.389 122.820 -0.043 0.000 1.883 371 A HA -0.060 4.259 4.320 -0.001 0.000 0.217 371 A C 2.442 180.005 177.584 -0.035 0.000 1.186 371 A CA 2.142 54.165 52.037 -0.023 0.000 0.624 371 A CB -1.478 17.518 19.000 -0.008 0.000 0.822 371 A HN 0.512 nan 8.150 nan 0.000 0.444 372 G N -0.702 108.069 108.800 -0.047 0.000 2.421 372 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.217 372 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.217 372 G C 1.452 176.315 174.900 -0.062 0.000 1.143 372 G CA 1.067 46.141 45.100 -0.043 0.000 0.784 372 G HN 0.517 nan 8.290 nan 0.000 0.541 373 L N 0.315 121.457 121.223 -0.136 0.000 2.156 373 L HA 0.174 4.513 4.340 -0.001 0.000 0.208 373 L C 2.442 179.114 176.870 -0.329 0.000 1.095 373 L CA 1.772 56.456 54.840 -0.260 0.000 0.770 373 L CB -0.342 41.429 42.059 -0.479 0.000 0.914 373 L HN 0.283 nan 8.230 nan 0.000 0.439 374 E N -0.562 119.510 120.200 -0.213 0.000 2.107 374 E HA -0.139 4.211 4.350 -0.001 0.000 0.191 374 E C 2.066 178.717 176.600 0.086 0.000 0.982 374 E CA 0.897 57.297 56.400 -0.001 0.000 0.809 374 E CB -0.019 29.726 29.700 0.074 0.000 0.756 374 E HN 0.455 nan 8.360 nan 0.000 0.459 375 R N 0.392 120.917 120.500 0.041 0.000 2.299 375 R HA 0.012 4.351 4.340 -0.001 0.000 0.197 375 R C 2.338 178.679 176.300 0.068 0.000 0.971 375 R CA 0.762 56.896 56.100 0.057 0.000 1.030 375 R CB 0.048 30.369 30.300 0.035 0.000 0.932 375 R HN 0.088 nan 8.270 nan 0.000 0.477 376 S N -0.358 115.388 115.700 0.078 0.000 2.423 376 S HA -0.043 4.426 4.470 -0.001 0.000 0.231 376 S C 1.643 176.330 174.600 0.145 0.000 1.014 376 S CA 1.101 59.369 58.200 0.112 0.000 0.965 376 S CB 0.057 63.356 63.200 0.164 0.000 0.785 376 S HN 0.485 nan 8.310 nan 0.000 0.495 377 G N 0.501 109.394 108.800 0.155 0.000 2.175 377 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.244 377 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.244 377 G C 0.265 175.268 174.900 0.170 0.000 0.982 377 G CA 0.063 45.251 45.100 0.147 0.000 0.641 377 G HN 1.365 nan 8.290 nan 0.000 0.527 378 A N 0.749 123.702 122.820 0.223 0.000 2.462 378 A HA 0.640 4.959 4.320 -0.001 0.000 0.243 378 A C 0.980 178.667 177.584 0.170 0.000 1.076 378 A CA 1.272 53.383 52.037 0.124 0.000 0.773 378 A CB 0.160 19.100 19.000 -0.100 0.000 1.010 378 A HN 1.775 nan 8.150 nan 0.000 0.493 379 T N 0.183 114.727 114.554 -0.017 0.000 2.882 379 T HA 0.568 4.917 4.350 -0.001 0.000 0.287 379 T C -0.097 174.334 174.700 -0.448 0.000 0.992 379 T CA -0.726 61.279 62.100 -0.158 0.000 1.076 379 T CB 0.937 69.733 68.868 -0.119 0.000 0.961 379 T HN 0.768 nan 8.240 nan 0.000 0.490 380 R N 2.020 122.077 120.500 -0.738 0.000 2.387 380 R HA 0.603 4.943 4.340 -0.001 0.000 0.314 380 R C -1.756 174.174 176.300 -0.617 0.000 0.958 380 R CA -0.742 54.642 56.100 -1.194 0.000 0.846 380 R CB 1.290 30.603 30.300 -1.645 0.000 1.147 380 R HN 0.591 nan 8.270 nan 0.000 0.447 381 V N 5.208 124.829 119.914 -0.488 0.000 2.378 381 V HA 0.199 4.319 4.120 -0.001 0.000 0.288 381 V C 0.091 176.034 176.094 -0.253 0.000 1.016 381 V CA -0.970 61.159 62.300 -0.286 0.000 0.840 381 V CB 1.371 33.079 31.823 -0.192 0.000 0.994 381 V HN 0.806 nan 8.190 nan 0.000 0.431 382 N N 3.596 122.179 118.700 -0.194 0.000 2.452 382 N HA 0.088 4.827 4.740 -0.001 0.000 0.266 382 N C 0.738 176.190 175.510 -0.097 0.000 1.209 382 N CA -0.105 52.864 53.050 -0.135 0.000 0.929 382 N CB 1.823 40.251 38.487 -0.098 0.000 1.063 382 N HN 0.428 nan 8.380 nan 0.000 0.472 383 V N 4.186 124.052 119.914 -0.080 0.000 2.446 383 V HA -0.049 4.071 4.120 -0.001 0.000 0.244 383 V C 0.701 176.771 176.094 -0.039 0.000 1.039 383 V CA 1.413 63.682 62.300 -0.052 0.000 1.045 383 V CB -0.418 31.382 31.823 -0.038 0.000 0.681 383 V HN 0.851 nan 8.190 nan 0.000 0.459 384 K N -1.407 118.968 120.400 -0.043 0.000 2.755 384 K HA 0.303 4.623 4.320 -0.001 0.000 0.294 384 K C -3.359 173.211 176.600 -0.049 0.000 1.060 384 K CA -1.623 54.644 56.287 -0.034 0.000 0.845 384 K CB 0.734 33.220 32.500 -0.023 0.000 1.539 384 K HN -0.213 nan 8.250 nan 0.000 0.379 385 P HA 0.008 nan 4.420 nan 0.000 0.261 385 P C -0.978 176.241 177.300 -0.135 0.000 1.183 385 P CA 0.771 63.823 63.100 -0.079 0.000 0.761 385 P CB 0.296 31.970 31.700 -0.043 0.000 0.785 386 Q N -0.499 119.160 119.800 -0.235 0.000 2.494 386 Q HA -0.144 4.195 4.340 -0.001 0.000 0.266 386 Q C -0.729 175.194 176.000 -0.128 0.000 1.053 386 Q CA 0.978 56.603 55.803 -0.295 0.000 1.029 386 Q CB -2.249 26.272 28.738 -0.362 0.000 1.423 386 Q HN 0.262 nan 8.270 nan 0.000 0.516 387 V N 0.455 120.321 119.914 -0.081 0.000 2.488 387 V HA 0.447 4.566 4.120 -0.001 0.000 0.293 387 V C -0.498 175.576 176.094 -0.033 0.000 1.027 387 V CA -0.823 61.457 62.300 -0.034 0.000 0.862 387 V CB 2.132 33.940 31.823 -0.026 0.000 1.008 387 V HN 0.084 nan 8.190 nan 0.000 0.428 388 D N 3.818 124.221 120.400 0.005 0.000 2.502 388 D HA 0.424 5.064 4.640 -0.001 0.000 0.249 388 D C -0.776 175.507 176.300 -0.029 0.000 1.092 388 D CA -0.497 53.476 54.000 -0.044 0.000 0.839 388 D CB 3.179 44.000 40.800 0.036 0.000 1.264 388 D HN 0.337 nan 8.370 nan 0.000 0.511 389 L N 3.136 124.266 121.223 -0.155 0.000 2.278 389 L HA 0.289 4.629 4.340 -0.001 0.000 0.287 389 L C -1.160 175.540 176.870 -0.283 0.000 1.072 389 L CA -0.223 54.523 54.840 -0.156 0.000 0.819 389 L CB 0.207 42.167 42.059 -0.164 0.000 1.176 389 L HN 0.283 nan 8.230 nan 0.000 0.435 390 W N 4.087 125.271 121.300 -0.193 0.000 2.433 390 W HA 0.585 5.245 4.660 -0.001 0.000 0.315 390 W C -0.062 176.217 176.519 -0.400 0.000 1.087 390 W CA -0.395 56.776 57.345 -0.290 0.000 1.205 390 W CB 1.814 31.084 29.460 -0.317 0.000 1.288 390 W HN 0.375 nan 8.180 nan 0.000 0.504 391 T N 3.945 118.365 114.554 -0.224 0.000 2.824 391 T HA 0.465 4.815 4.350 -0.001 0.000 0.282 391 T C -1.180 173.341 174.700 -0.299 0.000 0.993 391 T CA -0.606 61.358 62.100 -0.227 0.000 0.967 391 T CB 0.575 69.383 68.868 -0.101 0.000 0.960 391 T HN -0.051 nan 8.240 nan 0.000 0.441 392 F N 1.916 121.922 119.950 0.093 0.000 2.361 392 F HA 0.446 4.972 4.527 -0.001 0.000 0.364 392 F C 1.560 177.394 175.800 0.056 0.000 1.120 392 F CA -0.928 57.119 58.000 0.078 0.000 1.102 392 F CB 0.946 39.984 39.000 0.063 0.000 1.183 392 F HN 0.776 nan 8.300 nan 0.000 0.476 393 G N 2.199 111.120 108.800 0.202 0.000 2.513 393 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.219 393 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.219 393 G C 1.365 176.339 174.900 0.122 0.000 1.160 393 G CA 1.402 46.579 45.100 0.129 0.000 0.767 393 G HN 0.694 nan 8.290 nan 0.000 0.571 394 D N 0.265 120.745 120.400 0.133 0.000 2.178 394 D HA -0.104 4.536 4.640 -0.001 0.000 0.201 394 D C 2.266 178.610 176.300 0.073 0.000 0.980 394 D CA 2.052 56.101 54.000 0.083 0.000 0.842 394 D CB -0.959 39.873 40.800 0.054 0.000 0.948 394 D HN 0.466 nan 8.370 nan 0.000 0.472 395 T N -5.099 109.518 114.554 0.105 0.000 2.990 395 T HA 0.390 4.740 4.350 -0.001 0.000 0.249 395 T C 1.903 176.666 174.700 0.105 0.000 1.039 395 T CA 0.456 62.608 62.100 0.087 0.000 1.036 395 T CB 0.024 68.940 68.868 0.079 0.000 0.994 395 T HN 0.390 nan 8.240 nan 0.000 0.489 396 G N 2.093 110.973 108.800 0.133 0.000 2.168 396 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.263 396 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.263 396 G C 0.196 175.177 174.900 0.136 0.000 0.977 396 G CA 0.192 45.362 45.100 0.118 0.000 0.659 396 G HN 0.690 nan 8.290 nan 0.000 0.533 397 R N 0.339 120.948 120.500 0.183 0.000 2.490 397 R HA 0.564 4.904 4.340 -0.001 0.000 0.278 397 R C -0.164 176.249 176.300 0.188 0.000 1.069 397 R CA 0.229 56.446 56.100 0.195 0.000 1.080 397 R CB 0.917 31.341 30.300 0.208 0.000 1.030 397 R HN 0.229 nan 8.270 nan 0.000 0.491 398 S N 2.420 118.178 115.700 0.098 0.000 2.500 398 S HA 0.477 4.947 4.470 -0.001 0.000 0.301 398 S C -0.604 173.953 174.600 -0.071 0.000 1.092 398 S CA -0.815 57.364 58.200 -0.035 0.000 1.030 398 S CB 1.490 64.583 63.200 -0.178 0.000 1.031 398 S HN 0.282 nan 8.310 nan 0.000 0.483 399 I N 2.521 123.099 120.570 0.013 0.000 2.412 399 I HA 0.417 4.587 4.170 -0.001 0.000 0.296 399 I C -0.165 175.973 176.117 0.035 0.000 0.987 399 I CA -1.307 60.026 61.300 0.056 0.000 1.180 399 I CB 1.243 39.338 38.000 0.157 0.000 1.340 399 I HN 0.637 nan 8.210 nan 0.000 0.455 400 I N 6.254 126.834 120.570 0.015 0.000 2.301 400 I HA 0.221 4.390 4.170 -0.001 0.000 0.292 400 I C -0.179 175.989 176.117 0.084 0.000 1.046 400 I CA -0.512 60.812 61.300 0.041 0.000 1.282 400 I CB 0.864 38.875 38.000 0.019 0.000 1.409 400 I HN 0.108 nan 8.210 nan 0.000 0.484 401 V N 7.801 127.802 119.914 0.145 0.000 2.394 401 V HA 0.359 4.479 4.120 -0.001 0.000 0.282 401 V C 0.246 176.396 176.094 0.094 0.000 1.031 401 V CA -0.580 61.792 62.300 0.121 0.000 0.881 401 V CB 1.613 33.524 31.823 0.146 0.000 0.982 401 V HN 0.487 nan 8.190 nan 0.000 0.451 402 L N 3.716 124.974 121.223 0.058 0.000 2.312 402 L HA 0.386 4.725 4.340 -0.001 0.000 0.281 402 L C 1.137 178.027 176.870 0.035 0.000 1.070 402 L CA -0.269 54.591 54.840 0.033 0.000 0.805 402 L CB 1.410 43.484 42.059 0.026 0.000 1.174 402 L HN 0.830 nan 8.230 nan 0.000 0.434 403 S N 1.458 117.148 115.700 -0.018 0.000 3.473 403 S HA -0.229 4.241 4.470 -0.001 0.000 0.339 403 S C 0.626 175.296 174.600 0.116 0.000 1.148 403 S CA 1.281 59.457 58.200 -0.041 0.000 0.969 403 S CB -1.228 62.009 63.200 0.062 0.000 0.936 403 S HN 0.938 nan 8.310 nan 0.000 0.530 404 E N -1.861 118.408 120.200 0.115 0.000 2.637 404 E HA -0.229 4.121 4.350 -0.001 0.000 0.265 404 E C 0.801 177.493 176.600 0.154 0.000 1.073 404 E CA 0.674 57.190 56.400 0.193 0.000 0.778 404 E CB -1.978 27.907 29.700 0.308 0.000 1.362 404 E HN 1.498 nan 8.360 nan 0.000 0.413 405 G N -0.061 108.803 108.800 0.106 0.000 2.153 405 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.252 405 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.252 405 G C 0.173 175.127 174.900 0.089 0.000 0.994 405 G CA 0.641 45.785 45.100 0.074 0.000 0.698 405 G HN 0.199 nan 8.290 nan 0.000 0.521 406 R N -0.290 120.291 120.500 0.135 0.000 2.643 406 R HA 0.551 4.890 4.340 -0.001 0.000 0.272 406 R C 0.769 177.127 176.300 0.096 0.000 0.995 406 R CA -1.054 55.121 56.100 0.125 0.000 1.032 406 R CB 0.515 30.950 30.300 0.226 0.000 1.126 406 R HN 0.436 nan 8.270 nan 0.000 0.505 407 L N 1.822 123.073 121.223 0.047 0.000 2.771 407 L HA -0.081 4.259 4.340 -0.001 0.000 0.278 407 L C 1.297 178.190 176.870 0.038 0.000 1.175 407 L CA 0.290 55.145 54.840 0.024 0.000 0.973 407 L CB -1.022 41.031 42.059 -0.010 0.000 1.286 407 L HN 0.629 nan 8.230 nan 0.000 0.481 408 L N 0.995 122.241 121.223 0.039 0.000 2.291 408 L HA 0.006 4.346 4.340 -0.001 0.000 0.214 408 L C 2.104 178.993 176.870 0.032 0.000 1.120 408 L CA 1.379 56.242 54.840 0.039 0.000 0.799 408 L CB -1.096 40.983 42.059 0.033 0.000 0.925 408 L HN 0.770 nan 8.230 nan 0.000 0.446 409 N N 1.033 119.750 118.700 0.027 0.000 2.207 409 N HA -0.150 4.590 4.740 -0.001 0.000 0.182 409 N C 1.736 177.259 175.510 0.021 0.000 1.020 409 N CA 1.780 54.854 53.050 0.040 0.000 0.858 409 N CB -0.821 37.711 38.487 0.074 0.000 0.991 409 N HN 0.498 nan 8.380 nan 0.000 0.427 410 L N -0.013 121.188 121.223 -0.036 0.000 2.109 410 L HA 0.125 4.464 4.340 -0.001 0.000 0.207 410 L C 2.584 179.468 176.870 0.023 0.000 1.086 410 L CA 1.269 56.071 54.840 -0.064 0.000 0.760 410 L CB -0.539 41.363 42.059 -0.261 0.000 0.910 410 L HN 0.347 nan 8.230 nan 0.000 0.437 411 G N -0.908 107.928 108.800 0.060 0.000 2.426 411 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.214 411 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.214 411 G C 1.324 176.240 174.900 0.027 0.000 1.156 411 G CA 0.177 45.340 45.100 0.105 0.000 0.802 411 G HN 0.287 nan 8.290 nan 0.000 0.534 412 N N 0.383 119.094 118.700 0.019 0.000 2.373 412 N HA 0.291 5.030 4.740 -0.001 0.000 0.181 412 N C 0.929 176.457 175.510 0.031 0.000 1.082 412 N CA 0.664 53.719 53.050 0.009 0.000 0.885 412 N CB 0.905 39.394 38.487 0.004 0.000 0.977 412 N HN 0.401 nan 8.380 nan 0.000 0.462 413 A N 0.252 123.100 122.820 0.047 0.000 3.972 413 A HA 0.366 4.686 4.320 -0.001 0.000 0.166 413 A C 0.468 178.100 177.584 0.080 0.000 0.722 413 A CA 0.102 52.178 52.037 0.065 0.000 1.045 413 A CB -0.061 18.980 19.000 0.069 0.000 1.949 413 A HN 0.102 nan 8.150 nan 0.000 0.853 414 T N -2.254 112.357 114.554 0.095 0.000 3.200 414 T HA 0.522 4.871 4.350 -0.001 0.000 0.284 414 T C 1.095 175.840 174.700 0.074 0.000 1.009 414 T CA 1.249 63.406 62.100 0.096 0.000 0.907 414 T CB -0.461 68.478 68.868 0.119 0.000 1.120 414 T HN 2.532 nan 8.240 nan 0.000 0.534 415 G N 1.856 110.690 108.800 0.056 0.000 2.641 415 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.254 415 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.254 415 G C -0.399 174.586 174.900 0.142 0.000 1.315 415 G CA -0.294 44.817 45.100 0.017 0.000 0.907 415 G HN 0.847 nan 8.290 nan 0.000 0.572 416 H N 1.897 120.976 119.070 0.014 0.000 2.757 416 H HA 0.331 4.887 4.556 -0.001 0.000 0.370 416 H C -1.593 173.696 175.328 -0.066 0.000 1.172 416 H CA -0.469 55.574 56.048 -0.007 0.000 1.426 416 H CB 0.565 30.303 29.762 -0.041 0.000 1.438 416 H HN 0.494 nan 8.280 nan 0.000 0.612 417 P HA 0.010 nan 4.420 nan 0.000 0.277 417 P C 0.204 177.488 177.300 -0.027 0.000 1.240 417 P CA -0.286 62.736 63.100 -0.130 0.000 0.798 417 P CB 1.356 32.816 31.700 -0.402 0.000 0.979 418 S N 1.418 117.125 115.700 0.011 0.000 2.390 418 S HA -0.260 4.209 4.470 -0.001 0.000 0.234 418 S C 1.570 176.203 174.600 0.056 0.000 1.063 418 S CA 1.608 59.832 58.200 0.040 0.000 1.108 418 S CB -1.397 61.849 63.200 0.076 0.000 0.975 418 S HN 0.530 nan 8.310 nan 0.000 0.442 419 F N 1.613 121.550 119.950 -0.023 0.000 2.236 419 F HA -0.142 4.385 4.527 -0.001 0.000 0.302 419 F C 2.104 177.877 175.800 -0.045 0.000 1.073 419 F CA 0.864 58.867 58.000 0.006 0.000 1.336 419 F CB -0.149 38.859 39.000 0.013 0.000 1.040 419 F HN -0.006 nan 8.300 nan 0.000 0.507 420 V N -0.700 119.234 119.914 0.034 0.000 2.535 420 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 420 V C 2.184 178.177 176.094 -0.169 0.000 1.045 420 V CA 1.157 63.433 62.300 -0.041 0.000 1.058 420 V CB -0.281 31.545 31.823 0.004 0.000 0.689 420 V HN 0.200 nan 8.190 nan 0.000 0.461 421 M N -0.311 119.166 119.600 -0.204 0.000 2.419 421 M HA -0.029 4.451 4.480 -0.001 0.000 0.264 421 M C 2.433 178.494 176.300 -0.399 0.000 1.082 421 M CA 1.232 56.256 55.300 -0.460 0.000 1.119 421 M CB -1.479 30.779 32.600 -0.571 0.000 1.398 421 M HN 0.439 nan 8.290 nan 0.000 0.453 422 S N 1.320 116.890 115.700 -0.216 0.000 2.365 422 S HA -0.215 4.255 4.470 -0.001 0.000 0.225 422 S C 1.774 176.289 174.600 -0.142 0.000 1.039 422 S CA 2.049 60.189 58.200 -0.100 0.000 1.033 422 S CB -0.137 63.009 63.200 -0.090 0.000 0.887 422 S HN 0.460 nan 8.310 nan 0.000 0.447 423 N N 1.150 119.584 118.700 -0.442 0.000 2.007 423 N HA -0.078 4.661 4.740 -0.001 0.000 0.197 423 N C 2.043 177.441 175.510 -0.186 0.000 1.050 423 N CA 2.051 54.842 53.050 -0.432 0.000 0.856 423 N CB -0.802 37.391 38.487 -0.490 0.000 1.050 423 N HN 0.458 nan 8.380 nan 0.000 0.423 424 S N 0.111 115.695 115.700 -0.194 0.000 2.359 424 S HA -0.118 4.351 4.470 -0.001 0.000 0.223 424 S C 1.754 176.414 174.600 0.099 0.000 1.039 424 S CA 1.088 59.220 58.200 -0.112 0.000 1.042 424 S CB -0.514 62.530 63.200 -0.261 0.000 0.915 424 S HN 0.248 nan 8.310 nan 0.000 0.439 425 F N 1.767 121.707 119.950 -0.018 0.000 2.293 425 F HA 0.250 4.777 4.527 -0.001 0.000 0.297 425 F C 2.613 178.404 175.800 -0.016 0.000 1.089 425 F CA -0.351 57.644 58.000 -0.010 0.000 1.377 425 F CB -1.514 37.478 39.000 -0.015 0.000 1.051 425 F HN 0.184 nan 8.300 nan 0.000 0.511 426 A N 0.687 123.605 122.820 0.163 0.000 1.883 426 A HA -0.259 4.061 4.320 -0.001 0.000 0.217 426 A C 2.075 179.699 177.584 0.065 0.000 1.186 426 A CA 2.183 54.275 52.037 0.093 0.000 0.624 426 A CB -1.197 17.860 19.000 0.094 0.000 0.822 426 A HN 0.409 nan 8.150 nan 0.000 0.444 427 N N -0.789 117.945 118.700 0.057 0.000 2.104 427 N HA -0.199 4.541 4.740 -0.001 0.000 0.190 427 N C 1.980 177.520 175.510 0.050 0.000 1.024 427 N CA 1.677 54.750 53.050 0.039 0.000 0.853 427 N CB -0.230 38.270 38.487 0.022 0.000 1.008 427 N HN 0.655 nan 8.380 nan 0.000 0.424 428 Q N -0.366 119.490 119.800 0.093 0.000 2.124 428 Q HA -0.083 4.256 4.340 -0.001 0.000 0.202 428 Q C 1.651 177.663 176.000 0.021 0.000 0.977 428 Q CA 1.486 57.333 55.803 0.073 0.000 0.850 428 Q CB 0.058 28.875 28.738 0.130 0.000 0.901 428 Q HN 0.348 nan 8.270 nan 0.000 0.429 429 T N 0.443 115.008 114.554 0.018 0.000 2.812 429 T HA -0.063 4.287 4.350 -0.001 0.000 0.264 429 T C 1.696 176.359 174.700 -0.062 0.000 1.042 429 T CA 0.996 63.077 62.100 -0.032 0.000 1.140 429 T CB -0.139 68.712 68.868 -0.028 0.000 0.870 429 T HN 0.236 nan 8.240 nan 0.000 0.445 430 I N 1.474 122.022 120.570 -0.036 0.000 2.151 430 I HA -0.252 3.918 4.170 -0.001 0.000 0.243 430 I C 2.919 179.015 176.117 -0.035 0.000 1.080 430 I CA 1.377 62.652 61.300 -0.042 0.000 1.339 430 I CB -0.514 37.483 38.000 -0.005 0.000 1.039 430 I HN 0.206 nan 8.210 nan 0.000 0.409 431 A N -0.026 122.782 122.820 -0.019 0.000 1.898 431 A HA -0.212 4.108 4.320 -0.001 0.000 0.216 431 A C 2.283 179.840 177.584 -0.045 0.000 1.181 431 A CA 1.248 53.271 52.037 -0.024 0.000 0.620 431 A CB -0.474 18.518 19.000 -0.013 0.000 0.819 431 A HN 0.389 nan 8.150 nan 0.000 0.442 432 Q N -0.136 119.637 119.800 -0.045 0.000 2.030 432 Q HA -0.181 4.158 4.340 -0.001 0.000 0.204 432 Q C 2.169 178.160 176.000 -0.015 0.000 0.986 432 Q CA 1.743 57.518 55.803 -0.047 0.000 0.843 432 Q CB -0.549 28.147 28.738 -0.070 0.000 0.904 432 Q HN 0.772 nan 8.270 nan 0.000 0.420 433 I N 1.105 121.643 120.570 -0.053 0.000 2.127 433 I HA -0.283 3.887 4.170 -0.001 0.000 0.241 433 I C 2.351 178.486 176.117 0.030 0.000 1.075 433 I CA 1.179 62.450 61.300 -0.047 0.000 1.334 433 I CB -0.302 37.568 38.000 -0.217 0.000 1.040 433 I HN 0.155 nan 8.210 nan 0.000 0.405 434 E N 0.698 120.906 120.200 0.014 0.000 2.038 434 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 434 E C 2.347 178.981 176.600 0.057 0.000 1.000 434 E CA 1.339 57.778 56.400 0.065 0.000 0.803 434 E CB -0.535 29.218 29.700 0.089 0.000 0.750 434 E HN 0.489 nan 8.360 nan 0.000 0.448 435 L N 0.001 121.176 121.223 -0.080 0.000 2.131 435 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 435 L C 2.408 179.275 176.870 -0.005 0.000 1.092 435 L CA 0.919 55.630 54.840 -0.216 0.000 0.759 435 L CB -0.247 41.652 42.059 -0.266 0.000 0.903 435 L HN 0.349 nan 8.230 nan 0.000 0.435 436 W N 0.624 121.859 121.300 -0.109 0.000 2.481 436 W HA -0.170 4.489 4.660 -0.001 0.000 0.293 436 W C 2.427 178.921 176.519 -0.041 0.000 1.201 436 W CA 1.735 59.030 57.345 -0.082 0.000 1.328 436 W CB -0.079 29.327 29.460 -0.090 0.000 1.112 436 W HN 0.251 nan 8.180 nan 0.000 0.546 437 T N -0.892 113.659 114.554 -0.005 0.000 2.942 437 T HA -0.022 4.327 4.350 -0.001 0.000 0.265 437 T C 1.054 175.705 174.700 -0.081 0.000 1.062 437 T CA 0.828 62.877 62.100 -0.086 0.000 1.139 437 T CB -0.255 68.638 68.868 0.042 0.000 0.883 437 T HN 0.004 nan 8.240 nan 0.000 0.468 438 K N 1.263 121.667 120.400 0.007 0.000 3.045 438 K HA 0.330 4.650 4.320 -0.001 0.000 0.211 438 K C 1.100 177.781 176.600 0.136 0.000 1.141 438 K CA -0.253 56.067 56.287 0.055 0.000 1.036 438 K CB 0.160 32.720 32.500 0.100 0.000 0.851 438 K HN 0.208 nan 8.250 nan 0.000 0.462 439 N N 1.468 120.177 118.700 0.016 0.000 2.443 439 N HA -0.141 4.599 4.740 -0.001 0.000 0.184 439 N C 0.109 175.682 175.510 0.105 0.000 1.037 439 N CA 1.063 54.140 53.050 0.044 0.000 0.896 439 N CB 0.362 38.788 38.487 -0.102 0.000 0.959 439 N HN 0.358 nan 8.380 nan 0.000 0.442 440 D N -0.017 120.408 120.400 0.042 0.000 2.339 440 D HA -0.004 4.635 4.640 -0.001 0.000 0.217 440 D C 0.256 176.557 176.300 0.003 0.000 1.050 440 D CA 0.393 54.402 54.000 0.014 0.000 0.856 440 D CB 0.221 41.004 40.800 -0.027 0.000 0.922 440 D HN 0.439 nan 8.370 nan 0.000 0.518 441 E N -0.259 119.926 120.200 -0.026 0.000 2.501 441 E HA 0.090 4.440 4.350 -0.001 0.000 0.200 441 E C -0.661 175.714 176.600 -0.375 0.000 1.016 441 E CA -0.116 56.167 56.400 -0.195 0.000 0.921 441 E CB 0.545 30.084 29.700 -0.268 0.000 1.034 441 E HN 0.213 nan 8.360 nan 0.000 0.468 442 Y N -0.072 120.168 120.300 -0.100 0.000 2.462 442 Y HA 0.315 4.864 4.550 -0.001 0.000 0.346 442 Y C -0.016 175.936 175.900 0.088 0.000 0.976 442 Y CA -1.409 56.621 58.100 -0.117 0.000 1.044 442 Y CB 1.564 39.865 38.460 -0.264 0.000 1.230 442 Y HN -0.163 nan 8.280 nan 0.000 0.455 443 D N 0.058 120.712 120.400 0.422 0.000 2.437 443 D HA 0.233 4.873 4.640 -0.001 0.000 0.259 443 D C -0.369 176.123 176.300 0.321 0.000 1.118 443 D CA -0.519 53.660 54.000 0.297 0.000 1.017 443 D CB 0.806 41.732 40.800 0.211 0.000 1.120 443 D HN 0.419 nan 8.370 nan 0.000 0.541 444 N N 1.625 120.432 118.700 0.179 0.000 3.117 444 N HA 0.077 4.816 4.740 -0.001 0.000 0.323 444 N C -0.721 174.845 175.510 0.093 0.000 1.245 444 N CA 0.240 53.361 53.050 0.117 0.000 1.191 444 N CB -0.494 38.010 38.487 0.027 0.000 1.451 444 N HN 0.410 nan 8.380 nan 0.000 0.555 445 E N -1.883 118.400 120.200 0.138 0.000 2.370 445 E HA 0.545 4.895 4.350 -0.001 0.000 0.259 445 E C -0.782 175.810 176.600 -0.012 0.000 0.947 445 E CA -1.152 55.245 56.400 -0.005 0.000 0.809 445 E CB 1.274 30.868 29.700 -0.176 0.000 1.300 445 E HN -0.217 nan 8.360 nan 0.000 0.419 446 V N 1.349 121.223 119.914 -0.067 0.000 2.439 446 V HA 0.286 4.405 4.120 -0.001 0.000 0.282 446 V C -1.121 174.920 176.094 -0.088 0.000 1.039 446 V CA -0.370 61.929 62.300 -0.002 0.000 0.913 446 V CB -0.136 31.667 31.823 -0.035 0.000 0.983 446 V HN 0.511 nan 8.190 nan 0.000 0.460 447 Y N 3.435 123.818 120.300 0.139 0.000 2.549 447 Y HA 0.703 5.252 4.550 -0.001 0.000 0.339 447 Y C 0.478 176.460 175.900 0.136 0.000 1.053 447 Y CA -0.948 57.257 58.100 0.174 0.000 1.105 447 Y CB 1.890 40.504 38.460 0.257 0.000 1.258 447 Y HN 0.462 nan 8.280 nan 0.000 0.478 448 R N 0.897 121.582 120.500 0.308 0.000 2.787 448 R HA 0.571 4.911 4.340 -0.001 0.000 0.271 448 R C -1.230 175.184 176.300 0.190 0.000 0.993 448 R CA -1.061 55.164 56.100 0.208 0.000 0.993 448 R CB 1.404 31.805 30.300 0.169 0.000 1.155 448 R HN 0.532 nan 8.270 nan 0.000 0.486 449 L N 3.498 124.794 121.223 0.121 0.000 2.456 449 L HA 0.190 4.529 4.340 -0.001 0.000 0.272 449 L C -1.640 175.260 176.870 0.050 0.000 1.189 449 L CA -1.598 53.286 54.840 0.074 0.000 0.846 449 L CB 0.222 42.295 42.059 0.024 0.000 1.111 449 L HN 0.338 nan 8.230 nan 0.000 0.475 450 P HA -0.048 nan 4.420 nan 0.000 0.267 450 P C 0.074 177.329 177.300 -0.074 0.000 1.200 450 P CA -0.141 62.951 63.100 -0.012 0.000 0.772 450 P CB 0.699 32.367 31.700 -0.052 0.000 0.855 451 K N 2.164 122.583 120.400 0.031 0.000 2.152 451 K HA -0.210 4.109 4.320 -0.001 0.000 0.206 451 K C 2.029 178.646 176.600 0.028 0.000 1.048 451 K CA 1.299 57.621 56.287 0.059 0.000 0.933 451 K CB -0.281 32.299 32.500 0.133 0.000 0.721 451 K HN 0.620 nan 8.250 nan 0.000 0.447 452 H N 0.178 119.268 119.070 0.034 0.000 2.456 452 H HA -0.101 4.455 4.556 -0.001 0.000 0.296 452 H C 1.914 177.264 175.328 0.036 0.000 1.079 452 H CA 1.097 57.152 56.048 0.013 0.000 1.322 452 H CB -0.393 29.360 29.762 -0.014 0.000 1.388 452 H HN 0.224 nan 8.280 nan 0.000 0.538 453 L N 0.741 121.697 121.223 -0.445 0.000 2.093 453 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 453 L C 2.175 179.005 176.870 -0.066 0.000 1.085 453 L CA 1.236 55.950 54.840 -0.211 0.000 0.755 453 L CB -0.335 41.581 42.059 -0.238 0.000 0.904 453 L HN 0.144 nan 8.230 nan 0.000 0.435 454 D N 0.182 120.547 120.400 -0.058 0.000 2.144 454 D HA -0.166 4.473 4.640 -0.001 0.000 0.199 454 D C 2.132 178.424 176.300 -0.014 0.000 0.984 454 D CA 1.057 55.035 54.000 -0.037 0.000 0.834 454 D CB 0.021 40.799 40.800 -0.037 0.000 0.955 454 D HN 0.389 nan 8.370 nan 0.000 0.465 455 E N 0.398 120.623 120.200 0.041 0.000 2.107 455 E HA -0.130 4.219 4.350 -0.001 0.000 0.191 455 E C 1.944 178.600 176.600 0.092 0.000 0.982 455 E CA 0.527 56.988 56.400 0.102 0.000 0.809 455 E CB 0.088 29.896 29.700 0.180 0.000 0.756 455 E HN 0.180 nan 8.360 nan 0.000 0.459 456 K N 1.008 121.456 120.400 0.080 0.000 2.001 456 K HA -0.191 4.129 4.320 -0.001 0.000 0.214 456 K C 2.152 178.783 176.600 0.051 0.000 1.050 456 K CA 1.542 57.873 56.287 0.073 0.000 0.934 456 K CB -0.144 32.402 32.500 0.077 0.000 0.718 456 K HN -0.048 nan 8.250 nan 0.000 0.443 457 V N 1.282 121.217 119.914 0.034 0.000 2.255 457 V HA -0.309 3.810 4.120 -0.001 0.000 0.247 457 V C 2.462 178.614 176.094 0.097 0.000 1.051 457 V CA 2.158 64.489 62.300 0.051 0.000 1.018 457 V CB -0.915 30.912 31.823 0.007 0.000 0.641 457 V HN 0.559 nan 8.190 nan 0.000 0.445 458 A N -0.201 122.610 122.820 -0.015 0.000 1.917 458 A HA -0.318 4.002 4.320 -0.001 0.000 0.219 458 A C 2.413 180.039 177.584 0.070 0.000 1.182 458 A CA 2.380 54.402 52.037 -0.026 0.000 0.633 458 A CB -0.661 18.283 19.000 -0.093 0.000 0.819 458 A HN 0.521 nan 8.150 nan 0.000 0.448 459 R N -0.184 120.356 120.500 0.067 0.000 2.081 459 R HA -0.112 4.227 4.340 -0.001 0.000 0.235 459 R C 1.974 178.291 176.300 0.029 0.000 1.131 459 R CA 1.752 57.891 56.100 0.065 0.000 0.960 459 R CB -0.476 29.870 30.300 0.077 0.000 0.856 459 R HN 0.575 nan 8.270 nan 0.000 0.436 460 I N 0.053 120.607 120.570 -0.026 0.000 2.145 460 I HA -0.333 3.837 4.170 -0.001 0.000 0.244 460 I C 1.923 177.911 176.117 -0.216 0.000 1.075 460 I CA 1.891 63.093 61.300 -0.164 0.000 1.332 460 I CB -0.463 37.356 38.000 -0.301 0.000 1.033 460 I HN 0.352 nan 8.210 nan 0.000 0.410 461 H N -0.582 118.479 119.070 -0.016 0.000 2.436 461 H HA -0.026 4.530 4.556 -0.001 0.000 0.294 461 H C 2.245 177.670 175.328 0.162 0.000 1.048 461 H CA 0.937 57.022 56.048 0.062 0.000 1.353 461 H CB -0.273 29.449 29.762 -0.067 0.000 1.414 461 H HN 0.042 nan 8.280 nan 0.000 0.536 462 V N 1.193 121.210 119.914 0.171 0.000 2.233 462 V HA -0.282 3.837 4.120 -0.001 0.000 0.247 462 V C 2.008 178.150 176.094 0.080 0.000 1.050 462 V CA 2.182 64.551 62.300 0.116 0.000 1.010 462 V CB -0.424 31.450 31.823 0.086 0.000 0.637 462 V HN 0.511 nan 8.190 nan 0.000 0.444 463 E N 0.272 120.512 120.200 0.067 0.000 2.097 463 E HA -0.250 4.099 4.350 -0.001 0.000 0.196 463 E C 2.285 178.922 176.600 0.061 0.000 1.000 463 E CA 1.410 57.845 56.400 0.058 0.000 0.804 463 E CB -0.391 29.337 29.700 0.046 0.000 0.740 463 E HN 0.620 nan 8.360 nan 0.000 0.454 464 A N 1.271 124.144 122.820 0.088 0.000 1.877 464 A HA -0.144 4.175 4.320 -0.001 0.000 0.216 464 A C 2.182 179.833 177.584 0.112 0.000 1.186 464 A CA 1.066 53.184 52.037 0.135 0.000 0.620 464 A CB -0.614 18.526 19.000 0.233 0.000 0.822 464 A HN 0.148 nan 8.150 nan 0.000 0.443 465 L N -1.420 119.869 121.223 0.110 0.000 2.362 465 L HA 0.046 4.386 4.340 -0.001 0.000 0.219 465 L C 1.790 178.627 176.870 -0.055 0.000 1.134 465 L CA 0.722 55.545 54.840 -0.028 0.000 0.807 465 L CB -0.361 41.676 42.059 -0.037 0.000 0.927 465 L HN 0.658 nan 8.230 nan 0.000 0.447 466 G N -0.514 108.260 108.800 -0.043 0.000 2.141 466 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.231 466 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.231 466 G C 0.556 175.270 174.900 -0.311 0.000 0.984 466 G CA -0.250 44.776 45.100 -0.123 0.000 0.660 466 G HN 0.519 nan 8.290 nan 0.000 0.525 467 G N -0.579 108.106 108.800 -0.191 0.000 2.491 467 G HA2 0.463 4.423 3.960 -0.001 0.000 0.238 467 G HA3 0.463 4.423 3.960 -0.001 0.000 0.238 467 G C -0.401 174.410 174.900 -0.149 0.000 1.277 467 G CA -0.074 44.910 45.100 -0.192 0.000 0.851 467 G HN 0.620 nan 8.290 nan 0.000 0.573 468 H N 1.124 120.204 119.070 0.017 0.000 2.762 468 H HA 0.276 4.832 4.556 -0.001 0.000 0.310 468 H C 0.093 175.424 175.328 0.006 0.000 1.004 468 H CA -0.821 55.234 56.048 0.011 0.000 1.267 468 H CB 1.340 31.106 29.762 0.007 0.000 1.437 468 H HN 0.203 nan 8.280 nan 0.000 0.498 469 L N 2.552 123.849 121.223 0.123 0.000 2.417 469 L HA 0.192 4.531 4.340 -0.001 0.000 0.268 469 L C 0.439 177.329 176.870 0.033 0.000 1.158 469 L CA -0.124 54.748 54.840 0.053 0.000 0.819 469 L CB 1.097 43.176 42.059 0.034 0.000 1.112 469 L HN 0.603 nan 8.230 nan 0.000 0.458 470 T N 2.653 117.205 114.554 -0.003 0.000 2.909 470 T HA 0.179 4.528 4.350 -0.001 0.000 0.286 470 T C -0.065 174.616 174.700 -0.031 0.000 1.002 470 T CA -0.516 61.576 62.100 -0.013 0.000 1.074 470 T CB 1.236 70.092 68.868 -0.021 0.000 0.984 470 T HN 0.376 nan 8.240 nan 0.000 0.495 471 K N 3.473 123.865 120.400 -0.013 0.000 2.234 471 K HA 0.361 4.680 4.320 -0.001 0.000 0.277 471 K C -0.256 176.344 176.600 0.001 0.000 1.038 471 K CA -0.591 55.696 56.287 -0.000 0.000 0.888 471 K CB 0.424 32.933 32.500 0.015 0.000 1.091 471 K HN 0.524 nan 8.250 nan 0.000 0.467 472 L N 3.661 124.890 121.223 0.011 0.000 2.514 472 L HA -0.004 4.335 4.340 -0.001 0.000 0.280 472 L C 0.962 177.851 176.870 0.031 0.000 1.223 472 L CA 0.081 54.937 54.840 0.026 0.000 0.864 472 L CB 0.266 42.366 42.059 0.068 0.000 1.118 472 L HN 0.774 nan 8.230 nan 0.000 0.494 473 T N -0.786 113.781 114.554 0.021 0.000 2.868 473 T HA 0.152 4.502 4.350 -0.001 0.000 0.292 473 T C 1.039 175.760 174.700 0.035 0.000 1.028 473 T CA -0.798 61.315 62.100 0.021 0.000 1.059 473 T CB 1.316 70.189 68.868 0.008 0.000 0.991 473 T HN 0.608 nan 8.240 nan 0.000 0.531 474 K N 0.760 121.179 120.400 0.032 0.000 2.037 474 K HA -0.317 4.003 4.320 -0.001 0.000 0.229 474 K C 2.286 178.913 176.600 0.046 0.000 1.040 474 K CA 2.597 58.906 56.287 0.036 0.000 0.981 474 K CB -0.275 32.240 32.500 0.026 0.000 0.749 474 K HN 0.798 nan 8.250 nan 0.000 0.451 475 E N 0.112 120.335 120.200 0.039 0.000 2.058 475 E HA -0.252 4.097 4.350 -0.001 0.000 0.194 475 E C 2.264 178.911 176.600 0.079 0.000 0.997 475 E CA 1.574 58.005 56.400 0.050 0.000 0.801 475 E CB -0.050 29.666 29.700 0.026 0.000 0.746 475 E HN 0.391 nan 8.360 nan 0.000 0.450 476 Q N -0.177 119.653 119.800 0.051 0.000 2.135 476 Q HA -0.179 4.161 4.340 -0.001 0.000 0.204 476 Q C 2.076 178.157 176.000 0.136 0.000 0.981 476 Q CA 1.448 57.293 55.803 0.070 0.000 0.856 476 Q CB -0.140 28.610 28.738 0.019 0.000 0.902 476 Q HN 0.225 nan 8.270 nan 0.000 0.425 477 A N 0.848 123.734 122.820 0.109 0.000 1.929 477 A HA -0.194 4.126 4.320 -0.001 0.000 0.216 477 A C 1.977 179.623 177.584 0.103 0.000 1.176 477 A CA 1.163 53.267 52.037 0.112 0.000 0.628 477 A CB -0.356 18.701 19.000 0.095 0.000 0.816 477 A HN 0.323 nan 8.150 nan 0.000 0.444 478 E N -1.151 119.108 120.200 0.098 0.000 2.077 478 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 478 E C 1.801 178.458 176.600 0.094 0.000 0.989 478 E CA 1.450 57.898 56.400 0.080 0.000 0.800 478 E CB -0.325 29.419 29.700 0.074 0.000 0.746 478 E HN 0.682 nan 8.360 nan 0.000 0.452 479 Y N 1.159 121.470 120.300 0.019 0.000 2.114 479 Y HA -0.219 4.331 4.550 -0.001 0.000 0.282 479 Y C 2.148 178.059 175.900 0.019 0.000 1.165 479 Y CA 1.996 60.106 58.100 0.017 0.000 1.148 479 Y CB -0.135 38.334 38.460 0.015 0.000 0.972 479 Y HN 0.026 nan 8.280 nan 0.000 0.504 480 L N -1.034 120.292 121.223 0.172 0.000 2.492 480 L HA 0.212 4.551 4.340 -0.001 0.000 0.223 480 L C 1.631 178.518 176.870 0.027 0.000 1.132 480 L CA 0.569 55.462 54.840 0.088 0.000 0.850 480 L CB -0.628 41.511 42.059 0.133 0.000 0.966 480 L HN 0.395 nan 8.230 nan 0.000 0.454 481 G N 1.291 110.107 108.800 0.028 0.000 2.225 481 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.264 481 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.264 481 G C 0.035 174.949 174.900 0.023 0.000 1.060 481 G CA 0.248 45.355 45.100 0.012 0.000 0.833 481 G HN 0.309 nan 8.290 nan 0.000 0.498 482 V N -4.056 115.886 119.914 0.047 0.000 3.074 482 V HA 0.840 4.960 4.120 -0.001 0.000 0.314 482 V C -0.028 176.088 176.094 0.038 0.000 1.117 482 V CA -1.568 60.757 62.300 0.040 0.000 1.014 482 V CB 2.081 33.961 31.823 0.094 0.000 1.057 482 V HN 0.069 nan 8.190 nan 0.000 0.438 483 D N 0.739 121.133 120.400 -0.010 0.000 2.341 483 D HA 0.286 4.925 4.640 -0.001 0.000 0.245 483 D C 1.295 177.638 176.300 0.072 0.000 1.106 483 D CA -0.101 53.898 54.000 -0.001 0.000 0.905 483 D CB 2.246 43.012 40.800 -0.056 0.000 1.202 483 D HN 0.428 nan 8.370 nan 0.000 0.426 484 V N 1.684 121.658 119.914 0.099 0.000 2.568 484 V HA -0.200 3.920 4.120 -0.001 0.000 0.253 484 V C 1.593 177.848 176.094 0.268 0.000 1.072 484 V CA 1.587 63.991 62.300 0.173 0.000 1.084 484 V CB -0.293 31.592 31.823 0.104 0.000 0.676 484 V HN 0.478 nan 8.190 nan 0.000 0.469 485 E N -0.227 120.044 120.200 0.119 0.000 2.501 485 E HA 0.381 4.730 4.350 -0.001 0.000 0.200 485 E C 0.958 177.424 176.600 -0.223 0.000 1.016 485 E CA 0.652 57.105 56.400 0.090 0.000 0.921 485 E CB 0.365 30.094 29.700 0.048 0.000 1.034 485 E HN 0.564 nan 8.360 nan 0.000 0.468 486 G N 2.502 110.925 108.800 -0.629 0.000 2.757 486 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.638 486 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.638 486 G C -2.688 171.947 174.900 -0.441 0.000 1.344 486 G CA -1.035 43.373 45.100 -1.154 0.000 0.855 486 G HN 0.017 nan 8.290 nan 0.000 0.537 487 P HA 0.389 nan 4.420 nan 0.000 0.269 487 P C -0.125 176.952 177.300 -0.371 0.000 1.209 487 P CA 0.016 62.927 63.100 -0.315 0.000 0.776 487 P CB 0.143 31.813 31.700 -0.050 0.000 0.876 488 Y N -0.316 120.008 120.300 0.041 0.000 2.449 488 Y HA 0.216 4.766 4.550 -0.001 0.000 0.254 488 Y C 0.910 176.754 175.900 -0.093 0.000 1.140 488 Y CA 0.400 58.494 58.100 -0.009 0.000 1.272 488 Y CB 0.273 38.734 38.460 0.003 0.000 1.114 488 Y HN 0.071 nan 8.280 nan 0.000 0.525 489 K N 0.594 120.998 120.400 0.006 0.000 2.385 489 K HA 0.421 4.741 4.320 -0.001 0.000 0.248 489 K C -2.787 173.762 176.600 -0.086 0.000 0.955 489 K CA -2.191 53.980 56.287 -0.193 0.000 0.816 489 K CB 1.178 33.434 32.500 -0.407 0.000 1.250 489 K HN -0.186 nan 8.250 nan 0.000 0.434 490 P HA 0.015 nan 4.420 nan 0.000 0.271 490 P C 0.239 177.540 177.300 0.001 0.000 1.238 490 P CA 0.044 63.121 63.100 -0.038 0.000 0.794 490 P CB 0.603 32.246 31.700 -0.094 0.000 0.959 491 D N -1.443 119.016 120.400 0.098 0.000 2.224 491 D HA -0.162 4.477 4.640 -0.001 0.000 0.205 491 D C 1.433 177.835 176.300 0.170 0.000 0.965 491 D CA 1.087 55.177 54.000 0.151 0.000 0.852 491 D CB -0.220 40.684 40.800 0.173 0.000 0.947 491 D HN 0.613 nan 8.370 nan 0.000 0.494 492 H N -2.987 116.160 119.070 0.128 0.000 2.551 492 H HA 0.147 4.703 4.556 -0.001 0.000 0.271 492 H C -0.084 175.310 175.328 0.109 0.000 0.984 492 H CA -0.668 55.443 56.048 0.105 0.000 1.164 492 H CB -0.725 29.077 29.762 0.067 0.000 1.437 492 H HN 0.062 nan 8.280 nan 0.000 0.550 493 Y N 2.597 122.639 120.300 -0.431 0.000 2.597 493 Y HA 0.039 4.588 4.550 -0.001 0.000 0.336 493 Y C 0.967 176.747 175.900 -0.200 0.000 1.216 493 Y CA 0.075 57.930 58.100 -0.408 0.000 1.463 493 Y CB 0.671 38.837 38.460 -0.491 0.000 1.303 493 Y HN 0.175 nan 8.280 nan 0.000 0.576 494 R N 3.538 123.556 120.500 -0.804 0.000 2.365 494 R HA 0.103 4.443 4.340 -0.001 0.000 0.223 494 R C -0.806 175.383 176.300 -0.185 0.000 0.899 494 R CA -0.153 55.752 56.100 -0.325 0.000 1.059 494 R CB 0.110 30.266 30.300 -0.240 0.000 1.086 494 R HN 0.815 nan 8.270 nan 0.000 0.522 495 Y N 0.000 119.961 120.300 -0.565 0.000 2.660 495 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 495 Y CA 0.000 58.035 58.100 -0.108 0.000 1.940 495 Y CB 0.000 38.533 38.460 0.121 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758