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_C 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 0.000 176.669 176.870 -0.335 0.000 1.165 11 L CA 0.000 54.512 54.840 -0.547 0.000 0.813 11 L CB 0.000 41.465 42.059 -0.991 0.000 0.961 12 T N 0.136 114.573 114.554 -0.196 0.000 2.824 12 T HA 0.715 5.274 4.350 0.349 0.000 0.282 12 T C -2.818 171.960 174.700 0.131 0.000 0.993 12 T CA -1.800 60.326 62.100 0.042 0.000 0.967 12 T CB 1.825 70.691 68.868 -0.003 0.000 0.960 12 T HN 0.237 nan 8.240 nan 0.000 0.441 13 P HA 0.327 nan 4.420 nan 0.000 0.271 13 P C -0.627 176.647 177.300 -0.044 0.000 1.216 13 P CA -0.244 63.029 63.100 0.288 0.000 0.776 13 P CB 0.397 32.304 31.700 0.345 0.000 0.881 14 D N 0.669 120.861 120.400 -0.345 0.000 2.329 14 D HA 0.329 5.179 4.640 0.349 0.000 0.246 14 D C -0.410 175.544 176.300 -0.578 0.000 1.111 14 D CA 0.110 53.766 54.000 -0.573 0.000 0.941 14 D CB 0.456 40.696 40.800 -0.933 0.000 1.169 14 D HN -0.060 nan 8.370 nan 0.000 0.441 15 V N 2.030 121.772 119.914 -0.287 0.000 2.488 15 V HA 0.335 4.664 4.120 0.349 0.000 0.293 15 V C -0.362 175.774 176.094 0.071 0.000 1.027 15 V CA -0.829 61.429 62.300 -0.069 0.000 0.862 15 V CB 1.229 33.045 31.823 -0.011 0.000 1.008 15 V HN 0.346 nan 8.190 nan 0.000 0.428 16 R N 3.156 123.809 120.500 0.256 0.000 2.514 16 R HA 0.433 4.982 4.340 0.349 0.000 0.301 16 R C 0.376 176.759 176.300 0.138 0.000 0.962 16 R CA -0.880 55.341 56.100 0.201 0.000 0.882 16 R CB 1.093 31.538 30.300 0.242 0.000 1.143 16 R HN 0.766 nan 8.270 nan 0.000 0.452 17 N N 1.119 119.869 118.700 0.084 0.000 2.714 17 N HA -0.223 4.727 4.740 0.349 0.000 0.252 17 N C 0.453 175.999 175.510 0.060 0.000 1.014 17 N CA 1.423 54.508 53.050 0.059 0.000 0.735 17 N CB -0.874 37.641 38.487 0.046 0.000 0.924 17 N HN 1.056 nan 8.380 nan 0.000 0.540 18 G N -0.990 107.849 108.800 0.065 0.000 2.221 18 G HA2 -0.277 3.892 3.960 0.349 0.000 0.265 18 G HA3 -0.277 3.892 3.960 0.349 0.000 0.265 18 G C 0.029 174.971 174.900 0.070 0.000 1.041 18 G CA 0.415 45.551 45.100 0.060 0.000 0.807 18 G HN 0.557 nan 8.290 nan 0.000 0.502 19 I N 1.628 122.260 120.570 0.103 0.000 2.439 19 I HA 0.274 4.654 4.170 0.349 0.000 0.285 19 I C -0.382 175.856 176.117 0.201 0.000 1.021 19 I CA -1.136 60.242 61.300 0.129 0.000 1.091 19 I CB 1.489 39.556 38.000 0.113 0.000 1.242 19 I HN 0.222 nan 8.210 nan 0.000 0.439 20 D N 6.967 127.454 120.400 0.144 0.000 2.313 20 D HA 0.558 5.407 4.640 0.349 0.000 0.247 20 D C -0.499 175.841 176.300 0.067 0.000 1.094 20 D CA -0.033 54.047 54.000 0.133 0.000 0.925 20 D CB 1.605 42.531 40.800 0.210 0.000 1.188 20 D HN 0.358 nan 8.370 nan 0.000 0.430 21 F N -2.566 117.241 119.950 -0.238 0.000 2.878 21 F HA 0.625 5.360 4.527 0.348 0.000 0.322 21 F C -1.847 173.803 175.800 -0.250 0.000 1.154 21 F CA -1.297 56.246 58.000 -0.763 0.000 0.896 21 F CB 1.415 40.152 39.000 -0.439 0.000 1.313 21 F HN 0.357 nan 8.300 nan 0.000 0.451 22 K N 2.545 122.992 120.400 0.078 0.000 2.670 22 K HA 0.665 5.194 4.320 0.349 0.000 0.274 22 K C -1.879 175.041 176.600 0.533 0.000 1.068 22 K CA -0.273 56.240 56.287 0.377 0.000 0.967 22 K CB 1.363 34.263 32.500 0.667 0.000 1.297 22 K HN 0.940 nan 8.250 nan 0.000 0.477 23 I N -0.085 120.719 120.570 0.391 0.000 3.174 23 I HA 0.740 5.120 4.170 0.349 0.000 0.313 23 I C 0.666 176.885 176.117 0.170 0.000 1.155 23 I CA -1.006 60.520 61.300 0.376 0.000 0.977 23 I CB 2.092 40.234 38.000 0.237 0.000 1.248 23 I HN 0.457 nan 8.210 nan 0.000 0.453 24 A N 1.433 124.368 122.820 0.192 0.000 1.851 24 A HA -0.094 4.435 4.320 0.349 0.000 0.216 24 A C 0.651 178.265 177.584 0.049 0.000 1.195 24 A CA 2.364 54.444 52.037 0.072 0.000 0.622 24 A CB -0.485 18.608 19.000 0.156 0.000 0.831 24 A HN 0.905 nan 8.150 nan 0.000 0.444 25 D N -2.452 117.999 120.400 0.084 0.000 2.452 25 D HA 0.264 5.113 4.640 0.349 0.000 0.226 25 D C 0.002 176.336 176.300 0.056 0.000 1.366 25 D CA -0.578 53.461 54.000 0.066 0.000 0.986 25 D CB 0.657 41.498 40.800 0.069 0.000 1.420 25 D HN -0.074 nan 8.370 nan 0.000 0.583 26 L N 3.113 124.360 121.223 0.040 0.000 2.275 26 L HA -0.025 4.525 4.340 0.349 0.000 0.215 26 L C 2.155 179.030 176.870 0.007 0.000 1.119 26 L CA 1.903 56.737 54.840 -0.010 0.000 0.790 26 L CB -0.907 41.136 42.059 -0.027 0.000 0.919 26 L HN 0.565 nan 8.230 nan 0.000 0.443 27 S N -1.900 113.819 115.700 0.032 0.000 2.547 27 S HA -0.101 4.579 4.470 0.349 0.000 0.235 27 S C 1.724 176.363 174.600 0.065 0.000 0.980 27 S CA 0.492 58.715 58.200 0.039 0.000 0.941 27 S CB -0.624 62.598 63.200 0.036 0.000 0.763 27 S HN 0.481 nan 8.310 nan 0.000 0.532 28 L N 0.721 121.995 121.223 0.086 0.000 2.610 28 L HA 0.212 4.761 4.340 0.349 0.000 0.232 28 L C 2.706 179.653 176.870 0.129 0.000 1.149 28 L CA 0.392 55.323 54.840 0.152 0.000 0.872 28 L CB -0.641 41.528 42.059 0.182 0.000 0.992 28 L HN 0.445 nan 8.230 nan 0.000 0.447 29 A N 0.293 123.146 122.820 0.055 0.000 1.908 29 A HA -0.245 4.285 4.320 0.349 0.000 0.218 29 A C 1.855 179.460 177.584 0.035 0.000 1.181 29 A CA 2.141 54.181 52.037 0.005 0.000 0.627 29 A CB -0.288 18.698 19.000 -0.024 0.000 0.818 29 A HN 0.326 nan 8.150 nan 0.000 0.445 30 D N -1.926 118.525 120.400 0.086 0.000 2.249 30 D HA 0.013 4.862 4.640 0.349 0.000 0.205 30 D C 1.475 177.882 176.300 0.179 0.000 0.962 30 D CA 0.611 54.670 54.000 0.099 0.000 0.860 30 D CB -0.254 40.600 40.800 0.090 0.000 0.955 30 D HN 0.418 nan 8.370 nan 0.000 0.505 31 F N 1.456 121.445 119.950 0.065 0.000 2.206 31 F HA 0.123 4.860 4.527 0.350 0.000 0.298 31 F C 2.077 177.999 175.800 0.203 0.000 1.090 31 F CA 1.333 59.398 58.000 0.107 0.000 1.323 31 F CB -0.657 38.385 39.000 0.070 0.000 1.028 31 F HN -0.061 nan 8.300 nan 0.000 0.492 32 G N 0.578 109.384 108.800 0.010 0.000 2.545 32 G HA2 -0.364 3.805 3.960 0.349 0.000 0.217 32 G HA3 -0.364 3.805 3.960 0.349 0.000 0.217 32 G C 1.806 176.616 174.900 -0.150 0.000 1.218 32 G CA 1.053 46.037 45.100 -0.192 0.000 0.787 32 G HN 0.274 nan 8.290 nan 0.000 0.571 33 R N 0.923 121.381 120.500 -0.071 0.000 2.096 33 R HA -0.040 4.510 4.340 0.349 0.000 0.240 33 R C 2.561 178.849 176.300 -0.020 0.000 1.139 33 R CA 1.800 57.865 56.100 -0.058 0.000 0.952 33 R CB -0.639 29.639 30.300 -0.037 0.000 0.854 33 R HN 0.430 nan 8.270 nan 0.000 0.436 34 K N 0.103 120.524 120.400 0.035 0.000 2.044 34 K HA -0.184 4.346 4.320 0.349 0.000 0.210 34 K C 2.047 178.678 176.600 0.052 0.000 1.049 34 K CA 1.967 58.297 56.287 0.072 0.000 0.927 34 K CB -0.180 32.412 32.500 0.152 0.000 0.713 34 K HN 0.359 nan 8.250 nan 0.000 0.443 35 E N 0.454 120.655 120.200 0.003 0.000 2.150 35 E HA -0.171 4.388 4.350 0.349 0.000 0.193 35 E C 2.036 178.608 176.600 -0.046 0.000 0.985 35 E CA 0.740 57.127 56.400 -0.023 0.000 0.814 35 E CB -0.007 29.642 29.700 -0.086 0.000 0.752 35 E HN 0.112 nan 8.360 nan 0.000 0.466 36 L N 0.890 122.060 121.223 -0.089 0.000 2.017 36 L HA -0.178 4.372 4.340 0.349 0.000 0.208 36 L C 2.312 179.161 176.870 -0.035 0.000 1.073 36 L CA 1.635 56.423 54.840 -0.087 0.000 0.745 36 L CB -0.363 41.621 42.059 -0.125 0.000 0.894 36 L HN -0.009 nan 8.230 nan 0.000 0.432 37 R N -0.720 119.778 120.500 -0.003 0.000 2.120 37 R HA -0.094 4.455 4.340 0.349 0.000 0.234 37 R C 2.233 178.621 176.300 0.147 0.000 1.123 37 R CA 1.245 57.371 56.100 0.044 0.000 0.975 37 R CB -0.453 29.888 30.300 0.067 0.000 0.866 37 R HN 0.353 nan 8.270 nan 0.000 0.446 38 I N 0.597 121.247 120.570 0.132 0.000 2.353 38 I HA -0.184 4.195 4.170 0.349 0.000 0.248 38 I C 2.586 178.791 176.117 0.146 0.000 1.119 38 I CA 0.985 62.384 61.300 0.165 0.000 1.417 38 I CB -0.428 37.635 38.000 0.106 0.000 1.078 38 I HN 0.170 nan 8.210 nan 0.000 0.421 39 A N 0.741 123.607 122.820 0.077 0.000 1.902 39 A HA -0.220 4.309 4.320 0.349 0.000 0.217 39 A C 2.165 179.779 177.584 0.050 0.000 1.181 39 A CA 1.575 53.649 52.037 0.061 0.000 0.623 39 A CB -0.593 18.420 19.000 0.020 0.000 0.818 39 A HN 0.416 nan 8.150 nan 0.000 0.443 40 E N -0.840 119.360 120.200 0.000 0.000 2.114 40 E HA -0.276 4.284 4.350 0.349 0.000 0.199 40 E C 1.755 178.295 176.600 -0.101 0.000 1.008 40 E CA 1.788 58.141 56.400 -0.078 0.000 0.810 40 E CB -0.357 29.248 29.700 -0.157 0.000 0.739 40 E HN 0.858 nan 8.360 nan 0.000 0.456 41 H N 0.020 119.111 119.070 0.035 0.000 2.491 41 H HA -0.012 4.754 4.556 0.350 0.000 0.290 41 H C 1.446 176.833 175.328 0.100 0.000 1.050 41 H CA 0.869 56.950 56.048 0.054 0.000 1.309 41 H CB 0.251 30.044 29.762 0.052 0.000 1.392 41 H HN 0.044 nan 8.280 nan 0.000 0.554 42 E N -0.020 120.311 120.200 0.218 0.000 2.474 42 E HA 0.100 4.660 4.350 0.349 0.000 0.195 42 E C -0.042 176.659 176.600 0.168 0.000 1.039 42 E CA 0.237 56.803 56.400 0.276 0.000 0.881 42 E CB 0.448 30.294 29.700 0.243 0.000 0.970 42 E HN 0.543 nan 8.360 nan 0.000 0.486 43 M N 1.611 121.241 119.600 0.050 0.000 2.854 43 M HA 0.181 4.870 4.480 0.349 0.000 0.203 43 M C -1.897 174.353 176.300 -0.083 0.000 1.069 43 M CA -1.469 53.810 55.300 -0.034 0.000 0.803 43 M CB 1.332 33.934 32.600 0.004 0.000 1.380 43 M HN -0.224 nan 8.290 nan 0.000 0.494 44 P HA -0.066 nan 4.420 nan 0.000 0.223 44 P C 1.380 178.532 177.300 -0.247 0.000 1.151 44 P CA 1.276 64.258 63.100 -0.196 0.000 0.787 44 P CB 0.136 31.697 31.700 -0.232 0.000 0.788 45 G N 0.558 109.182 108.800 -0.294 0.000 2.408 45 G HA2 -0.172 3.997 3.960 0.349 0.000 0.217 45 G HA3 -0.172 3.997 3.960 0.349 0.000 0.217 45 G C 1.643 176.525 174.900 -0.030 0.000 1.150 45 G CA 0.342 45.357 45.100 -0.143 0.000 0.776 45 G HN 0.229 nan 8.290 nan 0.000 0.542 46 L N -0.248 120.967 121.223 -0.013 0.000 2.109 46 L HA 0.014 4.564 4.340 0.349 0.000 0.207 46 L C 2.987 179.845 176.870 -0.020 0.000 1.086 46 L CA 0.445 55.284 54.840 -0.002 0.000 0.760 46 L CB -0.268 41.794 42.059 0.005 0.000 0.910 46 L HN 0.140 nan 8.230 nan 0.000 0.437 47 M N -0.631 118.943 119.600 -0.043 0.000 2.098 47 M HA -0.133 4.556 4.480 0.349 0.000 0.262 47 M C 2.649 178.933 176.300 -0.027 0.000 1.072 47 M CA 1.638 56.910 55.300 -0.046 0.000 1.133 47 M CB -1.433 31.125 32.600 -0.071 0.000 1.344 47 M HN 0.206 nan 8.290 nan 0.000 0.414 48 S N 0.679 116.356 115.700 -0.038 0.000 2.389 48 S HA -0.188 4.491 4.470 0.349 0.000 0.231 48 S C 2.024 176.645 174.600 0.034 0.000 1.052 48 S CA 1.475 59.664 58.200 -0.017 0.000 1.053 48 S CB -0.339 62.835 63.200 -0.043 0.000 0.886 48 S HN 0.488 nan 8.310 nan 0.000 0.456 49 L N 0.375 121.631 121.223 0.054 0.000 2.141 49 L HA 0.009 4.559 4.340 0.349 0.000 0.209 49 L C 2.968 179.928 176.870 0.151 0.000 1.094 49 L CA 1.173 56.097 54.840 0.140 0.000 0.763 49 L CB -0.417 41.694 42.059 0.086 0.000 0.908 49 L HN 0.296 nan 8.230 nan 0.000 0.437 50 R N -0.265 120.275 120.500 0.066 0.000 2.120 50 R HA -0.128 4.422 4.340 0.349 0.000 0.234 50 R C 2.382 178.717 176.300 0.058 0.000 1.123 50 R CA 1.141 57.272 56.100 0.052 0.000 0.975 50 R CB -0.162 30.142 30.300 0.007 0.000 0.866 50 R HN 0.380 nan 8.270 nan 0.000 0.446 51 R N 0.074 120.598 120.500 0.040 0.000 2.075 51 R HA -0.068 4.481 4.340 0.349 0.000 0.226 51 R C 2.072 178.378 176.300 0.010 0.000 1.114 51 R CA 0.879 56.990 56.100 0.018 0.000 0.972 51 R CB -0.096 30.204 30.300 -0.000 0.000 0.869 51 R HN 0.276 nan 8.270 nan 0.000 0.437 52 E N -0.479 119.730 120.200 0.015 0.000 2.268 52 E HA -0.162 4.398 4.350 0.349 0.000 0.195 52 E C 0.302 176.762 176.600 -0.234 0.000 0.995 52 E CA 1.023 57.358 56.400 -0.109 0.000 0.836 52 E CB 0.327 29.972 29.700 -0.092 0.000 0.763 52 E HN 0.338 nan 8.360 nan 0.000 0.491 53 Y N -2.011 118.294 120.300 0.007 0.000 2.610 53 Y HA 0.371 5.132 4.550 0.351 0.000 0.254 53 Y C 1.433 177.340 175.900 0.012 0.000 1.110 53 Y CA 0.115 58.223 58.100 0.013 0.000 1.238 53 Y CB 0.388 38.858 38.460 0.016 0.000 1.322 53 Y HN 0.076 nan 8.280 nan 0.000 0.547 54 A N 0.647 123.544 122.820 0.129 0.000 1.859 54 A HA -0.266 4.263 4.320 0.349 0.000 0.218 54 A C 2.026 179.653 177.584 0.072 0.000 1.209 54 A CA 2.400 54.485 52.037 0.080 0.000 0.639 54 A CB -0.525 18.501 19.000 0.044 0.000 0.835 54 A HN 0.479 nan 8.150 nan 0.000 0.450 55 E N -0.792 119.437 120.200 0.049 0.000 2.204 55 E HA -0.092 4.468 4.350 0.349 0.000 0.195 55 E C 1.811 178.445 176.600 0.056 0.000 0.990 55 E CA 1.111 57.533 56.400 0.038 0.000 0.821 55 E CB -0.158 29.550 29.700 0.014 0.000 0.750 55 E HN 0.399 nan 8.360 nan 0.000 0.477 56 V N 0.832 120.798 119.914 0.087 0.000 3.129 56 V HA -0.121 4.208 4.120 0.349 0.000 0.259 56 V C 0.343 176.519 176.094 0.136 0.000 1.116 56 V CA 0.427 62.797 62.300 0.117 0.000 1.127 56 V CB -0.215 31.706 31.823 0.164 0.000 0.742 56 V HN 0.276 nan 8.190 nan 0.000 0.474 57 Q N -0.442 119.436 119.800 0.130 0.000 2.402 57 Q HA -0.215 4.334 4.340 0.349 0.000 0.356 57 Q C -1.171 174.905 176.000 0.128 0.000 1.344 57 Q CA 1.054 56.923 55.803 0.109 0.000 1.062 57 Q CB -1.390 27.395 28.738 0.078 0.000 1.268 57 Q HN 0.491 nan 8.270 nan 0.000 0.383 58 P HA -0.151 nan 4.420 nan 0.000 0.222 58 P C 0.867 178.296 177.300 0.216 0.000 1.147 58 P CA 1.013 64.208 63.100 0.158 0.000 0.790 58 P CB 0.191 31.936 31.700 0.076 0.000 0.780 59 L N -1.257 120.030 121.223 0.107 0.000 2.741 59 L HA 0.251 4.800 4.340 0.349 0.000 0.237 59 L C 1.145 177.998 176.870 -0.028 0.000 1.178 59 L CA -0.466 54.373 54.840 -0.003 0.000 0.973 59 L CB -0.318 41.623 42.059 -0.196 0.000 1.255 59 L HN -0.169 nan 8.230 nan 0.000 0.498 60 K N 0.916 121.396 120.400 0.134 0.000 2.524 60 K HA 0.131 4.661 4.320 0.349 0.000 0.279 60 K C 1.328 178.070 176.600 0.235 0.000 0.993 60 K CA 1.100 57.461 56.287 0.124 0.000 1.030 60 K CB 0.400 32.975 32.500 0.126 0.000 0.891 60 K HN 0.279 nan 8.250 nan 0.000 0.488 61 G N 1.723 110.590 108.800 0.112 0.000 2.245 61 G HA2 -0.334 3.836 3.960 0.349 0.000 0.264 61 G HA3 -0.334 3.836 3.960 0.349 0.000 0.264 61 G C 0.120 174.975 174.900 -0.074 0.000 0.985 61 G CA 0.305 45.502 45.100 0.162 0.000 0.625 61 G HN 0.890 nan 8.290 nan 0.000 0.536 62 A N 0.204 122.665 122.820 -0.598 0.000 2.401 62 A HA 0.721 5.251 4.320 0.349 0.000 0.259 62 A C 0.674 177.844 177.584 -0.689 0.000 1.103 62 A CA 0.094 51.348 52.037 -1.304 0.000 0.789 62 A CB 0.320 18.299 19.000 -1.700 0.000 1.035 62 A HN 0.443 nan 8.150 nan 0.000 0.491 63 R N 2.524 122.584 120.500 -0.733 0.000 2.363 63 R HA 0.360 4.909 4.340 0.349 0.000 0.297 63 R C -1.268 174.751 176.300 -0.467 0.000 1.208 63 R CA -0.124 55.483 56.100 -0.821 0.000 1.121 63 R CB 0.915 30.332 30.300 -1.472 0.000 1.124 63 R HN 0.727 nan 8.270 nan 0.000 0.561 64 I N 1.379 121.935 120.570 -0.023 0.000 2.325 64 I HA 0.178 4.557 4.170 0.349 0.000 0.291 64 I C 0.288 176.551 176.117 0.243 0.000 1.019 64 I CA -0.163 61.158 61.300 0.035 0.000 1.302 64 I CB 1.794 39.788 38.000 -0.010 0.000 1.401 64 I HN 0.286 nan 8.210 nan 0.000 0.485 65 S N 4.235 119.991 115.700 0.092 0.000 2.429 65 S HA 0.580 5.260 4.470 0.349 0.000 0.302 65 S C 0.175 174.578 174.600 -0.329 0.000 1.115 65 S CA -0.599 57.607 58.200 0.010 0.000 1.095 65 S CB 1.364 64.627 63.200 0.105 0.000 0.987 65 S HN 0.808 nan 8.310 nan 0.000 0.474 66 G N 1.492 109.853 108.800 -0.733 0.000 2.422 66 G HA2 0.476 4.645 3.960 0.349 0.000 0.317 66 G HA3 0.476 4.645 3.960 0.349 0.000 0.317 66 G C -0.660 173.390 174.900 -1.417 0.000 1.210 66 G CA -0.428 43.710 45.100 -1.604 0.000 0.930 66 G HN 0.564 nan 8.290 nan 0.000 0.468 67 S N 2.767 117.973 115.700 -0.824 0.000 2.528 67 S HA 0.675 5.354 4.470 0.349 0.000 0.303 67 S C -0.674 173.733 174.600 -0.322 0.000 1.123 67 S CA -0.610 57.284 58.200 -0.511 0.000 1.138 67 S CB -0.229 62.792 63.200 -0.299 0.000 0.984 67 S HN 0.597 nan 8.310 nan 0.000 0.474 68 L N 4.931 126.056 121.223 -0.163 0.000 2.666 68 L HA 0.383 4.932 4.340 0.349 0.000 0.259 68 L C -0.727 176.310 176.870 0.278 0.000 0.919 68 L CA -0.764 54.120 54.840 0.074 0.000 0.927 68 L CB 1.367 43.599 42.059 0.290 0.000 1.423 68 L HN 0.666 nan 8.230 nan 0.000 0.426 69 H N 4.442 123.662 119.070 0.251 0.000 3.223 69 H HA -0.113 4.653 4.556 0.350 0.000 0.287 69 H C 0.201 175.648 175.328 0.199 0.000 0.910 69 H CA 0.269 56.438 56.048 0.201 0.000 1.406 69 H CB 0.385 30.240 29.762 0.155 0.000 1.377 69 H HN 0.422 nan 8.280 nan 0.000 0.556 70 M N 4.608 124.375 119.600 0.279 0.000 3.237 70 M HA 0.043 4.732 4.480 0.349 0.000 0.266 70 M C -0.124 176.219 176.300 0.072 0.000 1.456 70 M CA -0.308 55.083 55.300 0.152 0.000 1.593 70 M CB -0.838 31.857 32.600 0.158 0.000 1.129 70 M HN 0.633 nan 8.290 nan 0.000 0.547 71 T N -1.261 113.324 114.554 0.052 0.000 2.949 71 T HA 0.486 5.045 4.350 0.349 0.000 0.287 71 T C 1.173 175.827 174.700 -0.077 0.000 1.034 71 T CA -0.993 61.117 62.100 0.015 0.000 1.018 71 T CB 1.026 69.938 68.868 0.075 0.000 1.135 71 T HN 0.110 nan 8.240 nan 0.000 0.532 72 V N 1.359 121.197 119.914 -0.126 0.000 2.363 72 V HA -0.251 4.079 4.120 0.349 0.000 0.254 72 V C 2.811 178.858 176.094 -0.078 0.000 1.074 72 V CA 2.195 64.394 62.300 -0.167 0.000 1.069 72 V CB -1.085 30.645 31.823 -0.155 0.000 0.659 72 V HN 0.837 nan 8.190 nan 0.000 0.455 73 Q N -0.792 119.020 119.800 0.020 0.000 2.123 73 Q HA -0.102 4.447 4.340 0.349 0.000 0.199 73 Q C 2.338 178.448 176.000 0.184 0.000 0.966 73 Q CA 1.905 57.788 55.803 0.134 0.000 0.845 73 Q CB -0.638 28.212 28.738 0.187 0.000 0.907 73 Q HN 0.601 nan 8.270 nan 0.000 0.439 74 T N 0.433 115.041 114.554 0.089 0.000 2.867 74 T HA -0.072 4.488 4.350 0.349 0.000 0.268 74 T C 1.793 176.219 174.700 -0.456 0.000 1.057 74 T CA 0.990 62.949 62.100 -0.236 0.000 1.136 74 T CB -0.295 68.478 68.868 -0.158 0.000 0.874 74 T HN 0.394 nan 8.240 nan 0.000 0.466 75 A N 0.915 123.541 122.820 -0.322 0.000 1.933 75 A HA -0.058 4.472 4.320 0.349 0.000 0.218 75 A C 2.486 179.890 177.584 -0.300 0.000 1.175 75 A CA 1.349 53.178 52.037 -0.347 0.000 0.628 75 A CB -0.814 18.026 19.000 -0.266 0.000 0.814 75 A HN 0.389 nan 8.150 nan 0.000 0.444 76 V N -0.450 119.339 119.914 -0.208 0.000 2.591 76 V HA -0.143 4.186 4.120 0.349 0.000 0.249 76 V C 2.398 178.381 176.094 -0.184 0.000 1.053 76 V CA 1.515 63.723 62.300 -0.153 0.000 1.068 76 V CB -0.616 31.165 31.823 -0.070 0.000 0.689 76 V HN 0.583 nan 8.190 nan 0.000 0.462 77 L N 0.196 121.258 121.223 -0.269 0.000 2.046 77 L HA -0.125 4.424 4.340 0.349 0.000 0.208 77 L C 2.129 178.763 176.870 -0.394 0.000 1.077 77 L CA 1.933 56.546 54.840 -0.379 0.000 0.747 77 L CB -0.451 41.141 42.059 -0.779 0.000 0.896 77 L HN 0.208 nan 8.230 nan 0.000 0.432 78 I N -0.425 119.835 120.570 -0.516 0.000 2.163 78 I HA -0.270 4.110 4.170 0.349 0.000 0.240 78 I C 2.222 178.173 176.117 -0.277 0.000 1.081 78 I CA 1.507 62.509 61.300 -0.496 0.000 1.353 78 I CB -0.355 37.238 38.000 -0.678 0.000 1.054 78 I HN 0.307 nan 8.210 nan 0.000 0.407 79 E N -0.082 119.971 120.200 -0.245 0.000 2.472 79 E HA -0.129 4.430 4.350 0.349 0.000 0.200 79 E C 1.861 178.383 176.600 -0.129 0.000 1.046 79 E CA 1.034 57.332 56.400 -0.171 0.000 0.871 79 E CB -0.044 29.555 29.700 -0.169 0.000 0.806 79 E HN 0.499 nan 8.360 nan 0.000 0.533 80 T N 0.978 115.448 114.554 -0.139 0.000 2.894 80 T HA -0.006 4.553 4.350 0.349 0.000 0.258 80 T C 1.921 176.565 174.700 -0.093 0.000 1.043 80 T CA 0.481 62.522 62.100 -0.100 0.000 1.141 80 T CB 0.015 68.828 68.868 -0.091 0.000 0.873 80 T HN 0.094 nan 8.240 nan 0.000 0.449 81 L N 1.529 122.683 121.223 -0.115 0.000 2.056 81 L HA -0.084 4.465 4.340 0.349 0.000 0.207 81 L C 3.107 179.932 176.870 -0.074 0.000 1.078 81 L CA 1.607 56.391 54.840 -0.094 0.000 0.749 81 L CB -1.402 40.612 42.059 -0.076 0.000 0.901 81 L HN 0.409 nan 8.230 nan 0.000 0.433 82 T N -1.967 112.544 114.554 -0.072 0.000 2.737 82 T HA -0.121 4.438 4.350 0.349 0.000 0.265 82 T C 2.032 176.712 174.700 -0.033 0.000 1.038 82 T CA 0.941 63.013 62.100 -0.048 0.000 1.144 82 T CB -0.454 68.383 68.868 -0.052 0.000 0.866 82 T HN 0.277 nan 8.240 nan 0.000 0.434 83 A N 1.641 124.439 122.820 -0.038 0.000 2.032 83 A HA 0.114 4.644 4.320 0.349 0.000 0.221 83 A C 2.406 179.991 177.584 0.002 0.000 1.165 83 A CA 1.434 53.463 52.037 -0.014 0.000 0.645 83 A CB -0.859 18.131 19.000 -0.017 0.000 0.807 83 A HN 0.618 nan 8.150 nan 0.000 0.453 84 L N -2.196 119.017 121.223 -0.016 0.000 2.558 84 L HA 0.202 4.751 4.340 0.349 0.000 0.225 84 L C 1.659 178.526 176.870 -0.005 0.000 1.128 84 L CA 0.770 55.606 54.840 -0.007 0.000 0.868 84 L CB -0.270 41.758 42.059 -0.052 0.000 1.006 84 L HN 0.619 nan 8.230 nan 0.000 0.454 85 G N -0.246 108.544 108.800 -0.017 0.000 2.205 85 G HA2 -0.160 4.010 3.960 0.349 0.000 0.180 85 G HA3 -0.160 4.010 3.960 0.349 0.000 0.180 85 G C 0.404 175.276 174.900 -0.046 0.000 1.004 85 G CA -0.122 44.972 45.100 -0.009 0.000 0.670 85 G HN 0.413 nan 8.290 nan 0.000 0.496 86 A N 0.056 122.825 122.820 -0.085 0.000 2.366 86 A HA 0.648 5.177 4.320 0.349 0.000 0.249 86 A C 0.312 177.877 177.584 -0.031 0.000 1.084 86 A CA 0.348 52.311 52.037 -0.124 0.000 0.794 86 A CB 0.352 19.263 19.000 -0.149 0.000 1.034 86 A HN 0.428 nan 8.150 nan 0.000 0.491 87 E N -0.617 119.585 120.200 0.004 0.000 2.191 87 E HA 0.474 5.033 4.350 0.349 0.000 0.278 87 E C -0.617 176.199 176.600 0.361 0.000 0.972 87 E CA -0.574 55.941 56.400 0.191 0.000 0.804 87 E CB 1.869 31.747 29.700 0.298 0.000 1.110 87 E HN 0.637 nan 8.360 nan 0.000 0.394 88 V N 0.873 120.974 119.914 0.311 0.000 2.914 88 V HA 0.691 5.021 4.120 0.349 0.000 0.314 88 V C -1.061 175.073 176.094 0.066 0.000 1.084 88 V CA -0.854 61.635 62.300 0.314 0.000 0.963 88 V CB 1.990 33.999 31.823 0.309 0.000 1.025 88 V HN 0.626 nan 8.190 nan 0.000 0.432 89 R N 3.477 123.976 120.500 -0.001 0.000 2.621 89 R HA 0.552 5.102 4.340 0.349 0.000 0.292 89 R C -1.602 174.763 176.300 0.109 0.000 0.969 89 R CA -0.473 55.561 56.100 -0.111 0.000 0.887 89 R CB 2.314 32.295 30.300 -0.532 0.000 1.180 89 R HN 0.865 nan 8.270 nan 0.000 0.450 90 W N 1.516 122.803 121.300 -0.022 0.000 2.819 90 W HA 0.690 5.557 4.660 0.346 0.000 0.337 90 W C -1.367 175.182 176.519 0.049 0.000 1.077 90 W CA -0.446 56.887 57.345 -0.019 0.000 1.226 90 W CB 2.296 31.718 29.460 -0.063 0.000 1.419 90 W HN 0.665 nan 8.180 nan 0.000 0.502 91 A N 2.467 125.198 122.820 -0.148 0.000 2.469 91 A HA 0.577 5.107 4.320 0.349 0.000 0.299 91 A C -0.712 176.841 177.584 -0.052 0.000 1.098 91 A CA -0.476 51.534 52.037 -0.044 0.000 0.737 91 A CB 1.842 20.712 19.000 -0.216 0.000 1.312 91 A HN 0.403 nan 8.150 nan 0.000 0.414 92 S N -0.886 114.837 115.700 0.038 0.000 2.593 92 S HA 0.233 4.913 4.470 0.349 0.000 0.269 92 S C 1.026 175.616 174.600 -0.017 0.000 1.334 92 S CA 0.109 58.355 58.200 0.077 0.000 1.015 92 S CB 0.144 63.414 63.200 0.117 0.000 0.912 92 S HN 1.550 nan 8.310 nan 0.000 0.541 93 C N 3.098 122.404 119.300 0.011 0.000 2.688 93 C HA 0.540 5.210 4.460 0.349 0.000 0.297 93 C C 0.320 175.434 174.990 0.208 0.000 1.308 93 C CA -0.991 58.082 59.018 0.092 0.000 1.726 93 C CB -1.985 25.718 27.740 -0.061 0.000 1.982 93 C HN 0.720 nan 8.230 nan 0.000 0.604 94 N N 0.890 119.725 118.700 0.226 0.000 2.331 94 N HA 0.314 5.263 4.740 0.349 0.000 0.280 94 N C 0.519 176.002 175.510 -0.044 0.000 1.155 94 N CA -0.409 52.676 53.050 0.059 0.000 0.822 94 N CB 1.667 40.288 38.487 0.223 0.000 1.619 94 N HN 0.365 nan 8.380 nan 0.000 0.476 95 I N -0.934 119.426 120.570 -0.350 0.000 2.830 95 I HA 0.058 4.438 4.170 0.349 0.000 0.263 95 I C 0.161 176.066 176.117 -0.355 0.000 1.230 95 I CA 1.020 62.045 61.300 -0.457 0.000 1.480 95 I CB -0.211 37.368 38.000 -0.701 0.000 1.095 95 I HN 0.200 nan 8.210 nan 0.000 0.455 96 F N 1.113 121.079 119.950 0.028 0.000 2.746 96 F HA 0.209 4.946 4.527 0.350 0.000 0.313 96 F C 2.479 178.315 175.800 0.061 0.000 1.095 96 F CA -0.005 58.023 58.000 0.047 0.000 1.224 96 F CB -0.452 38.570 39.000 0.036 0.000 1.060 96 F HN 0.103 nan 8.300 nan 0.000 0.584 97 S N -1.673 114.166 115.700 0.233 0.000 2.527 97 S HA 0.015 4.695 4.470 0.349 0.000 0.222 97 S C 0.975 175.675 174.600 0.167 0.000 0.985 97 S CA 0.139 58.438 58.200 0.165 0.000 0.921 97 S CB -0.941 62.335 63.200 0.125 0.000 0.772 97 S HN 0.097 nan 8.310 nan 0.000 0.529 98 T N 3.332 117.994 114.554 0.179 0.000 2.888 98 T HA 0.155 4.715 4.350 0.349 0.000 0.301 98 T C -0.234 174.565 174.700 0.166 0.000 1.001 98 T CA 0.181 62.380 62.100 0.165 0.000 1.147 98 T CB 0.580 69.543 68.868 0.160 0.000 0.931 98 T HN 0.420 nan 8.240 nan 0.000 0.541 99 Q N 2.529 122.410 119.800 0.134 0.000 2.349 99 Q HA 0.159 4.708 4.340 0.349 0.000 0.254 99 Q C 0.484 176.586 176.000 0.171 0.000 0.980 99 Q CA -0.618 55.285 55.803 0.168 0.000 0.924 99 Q CB 1.007 29.814 28.738 0.114 0.000 1.209 99 Q HN 0.560 nan 8.270 nan 0.000 0.445 100 D N 1.327 121.876 120.400 0.248 0.000 2.178 100 D HA -0.180 4.670 4.640 0.349 0.000 0.202 100 D C 1.674 178.089 176.300 0.191 0.000 0.974 100 D CA 1.193 55.323 54.000 0.217 0.000 0.841 100 D CB 0.151 41.087 40.800 0.227 0.000 0.953 100 D HN 0.675 nan 8.370 nan 0.000 0.478 101 H N 0.829 119.908 119.070 0.015 0.000 2.421 101 H HA 0.104 4.870 4.556 0.350 0.000 0.298 101 H C 1.836 177.096 175.328 -0.113 0.000 1.087 101 H CA 1.375 57.388 56.048 -0.058 0.000 1.330 101 H CB -0.666 28.977 29.762 -0.197 0.000 1.388 101 H HN 0.057 nan 8.280 nan 0.000 0.526 102 A N 1.853 124.384 122.820 -0.482 0.000 1.897 102 A HA 0.125 4.654 4.320 0.349 0.000 0.215 102 A C 2.821 180.276 177.584 -0.215 0.000 1.181 102 A CA 1.821 53.613 52.037 -0.409 0.000 0.620 102 A CB -1.026 17.735 19.000 -0.397 0.000 0.821 102 A HN 0.613 nan 8.150 nan 0.000 0.443 103 A N 0.281 123.034 122.820 -0.112 0.000 1.859 103 A HA 0.046 4.575 4.320 0.349 0.000 0.217 103 A C 2.565 180.084 177.584 -0.109 0.000 1.198 103 A CA 2.632 54.629 52.037 -0.066 0.000 0.629 103 A CB -1.340 17.687 19.000 0.044 0.000 0.830 103 A HN 1.205 nan 8.150 nan 0.000 0.446 104 A N -0.291 122.483 122.820 -0.076 0.000 1.903 104 A HA -0.022 4.507 4.320 0.349 0.000 0.219 104 A C 2.530 180.022 177.584 -0.153 0.000 1.191 104 A CA 2.922 54.895 52.037 -0.106 0.000 0.638 104 A CB -1.189 17.795 19.000 -0.027 0.000 0.823 104 A HN 1.297 nan 8.150 nan 0.000 0.451 105 A N -1.196 121.536 122.820 -0.148 0.000 1.969 105 A HA 0.111 4.641 4.320 0.349 0.000 0.218 105 A C 2.206 179.677 177.584 -0.190 0.000 1.169 105 A CA 1.591 53.532 52.037 -0.161 0.000 0.635 105 A CB -0.676 18.222 19.000 -0.169 0.000 0.810 105 A HN 0.402 nan 8.150 nan 0.000 0.445 106 V N -0.596 119.193 119.914 -0.209 0.000 2.453 106 V HA -0.176 4.154 4.120 0.349 0.000 0.247 106 V C 2.554 178.517 176.094 -0.218 0.000 1.048 106 V CA 1.776 63.942 62.300 -0.224 0.000 1.049 106 V CB -0.418 31.252 31.823 -0.255 0.000 0.672 106 V HN 0.365 nan 8.190 nan 0.000 0.457 107 V N -0.417 119.346 119.914 -0.252 0.000 2.343 107 V HA -0.200 4.130 4.120 0.349 0.000 0.247 107 V C 2.377 178.299 176.094 -0.288 0.000 1.051 107 V CA 1.897 63.997 62.300 -0.333 0.000 1.036 107 V CB -0.246 31.236 31.823 -0.569 0.000 0.654 107 V HN 0.400 nan 8.190 nan 0.000 0.451 108 V N -0.619 119.149 119.914 -0.244 0.000 2.453 108 V HA 0.236 4.566 4.120 0.349 0.000 0.247 108 V C 1.257 177.263 176.094 -0.147 0.000 1.048 108 V CA 1.246 63.439 62.300 -0.179 0.000 1.049 108 V CB -0.971 30.765 31.823 -0.145 0.000 0.672 108 V HN 0.811 nan 8.190 nan 0.000 0.457 109 G N -0.047 108.653 108.800 -0.166 0.000 2.795 109 G HA2 -0.147 4.023 3.960 0.349 0.000 0.664 109 G HA3 -0.147 4.023 3.960 0.349 0.000 0.664 109 G C -1.583 173.183 174.900 -0.223 0.000 1.381 109 G CA -0.158 44.832 45.100 -0.182 0.000 0.853 109 G HN 0.200 nan 8.290 nan 0.000 0.545 110 P HA -0.045 nan 4.420 nan 0.000 0.217 110 P C 0.677 177.701 177.300 -0.459 0.000 1.150 110 P CA 1.943 64.761 63.100 -0.470 0.000 0.832 110 P CB -0.072 31.207 31.700 -0.701 0.000 0.787 111 H N -1.651 117.398 119.070 -0.035 0.000 2.549 111 H HA 0.494 5.260 4.556 0.349 0.000 0.253 111 H C 0.906 176.218 175.328 -0.027 0.000 1.170 111 H CA -0.364 55.669 56.048 -0.025 0.000 0.943 111 H CB 0.147 29.898 29.762 -0.018 0.000 1.849 111 H HN 0.033 nan 8.280 nan 0.000 0.603 112 G N 0.990 109.789 108.800 -0.002 0.000 2.557 112 G HA2 0.467 4.637 3.960 0.349 0.000 0.302 112 G HA3 0.467 4.637 3.960 0.349 0.000 0.302 112 G C -0.018 174.874 174.900 -0.013 0.000 1.311 112 G CA -0.281 44.813 45.100 -0.011 0.000 1.030 112 G HN 0.283 nan 8.290 nan 0.000 0.509 113 T N -3.310 111.232 114.554 -0.020 0.000 2.883 113 T HA 0.550 5.110 4.350 0.349 0.000 0.296 113 T C -2.307 172.372 174.700 -0.035 0.000 1.117 113 T CA -1.487 60.603 62.100 -0.017 0.000 1.006 113 T CB 2.213 71.081 68.868 0.000 0.000 1.191 113 T HN 0.120 nan 8.240 nan 0.000 0.508 114 P HA -0.040 nan 4.420 nan 0.000 0.219 114 P C 0.724 178.017 177.300 -0.012 0.000 1.146 114 P CA 1.007 64.085 63.100 -0.037 0.000 0.808 114 P CB 0.101 31.792 31.700 -0.014 0.000 0.779 115 D N -0.742 119.660 120.400 0.004 0.000 2.144 115 D HA -0.055 4.794 4.640 0.349 0.000 0.207 115 D C 0.759 177.072 176.300 0.021 0.000 0.970 115 D CA 0.926 54.938 54.000 0.021 0.000 0.853 115 D CB -0.282 40.530 40.800 0.021 0.000 1.007 115 D HN 0.222 nan 8.370 nan 0.000 0.469 116 E N 1.454 121.660 120.200 0.011 0.000 2.069 116 E HA 0.192 4.751 4.350 0.349 0.000 0.254 116 E C -2.529 174.065 176.600 -0.009 0.000 1.088 116 E CA -2.167 54.239 56.400 0.010 0.000 1.017 116 E CB 0.999 30.707 29.700 0.014 0.000 1.226 116 E HN -0.059 nan 8.360 nan 0.000 0.458 117 P HA -0.045 nan 4.420 nan 0.000 0.266 117 P C -0.582 176.693 177.300 -0.041 0.000 1.195 117 P CA 0.300 63.358 63.100 -0.071 0.000 0.768 117 P CB 0.648 32.269 31.700 -0.131 0.000 0.838 118 K N 1.581 121.950 120.400 -0.052 0.000 2.706 118 K HA 0.306 4.835 4.320 0.349 0.000 0.203 118 K C 0.751 177.317 176.600 -0.057 0.000 1.102 118 K CA -0.244 56.026 56.287 -0.029 0.000 1.058 118 K CB 1.234 33.736 32.500 0.004 0.000 0.779 118 K HN 0.518 nan 8.250 nan 0.000 0.483 119 G N 1.040 109.784 108.800 -0.093 0.000 2.940 119 G HA2 0.491 4.660 3.960 0.349 0.000 0.164 119 G HA3 0.491 4.660 3.960 0.349 0.000 0.164 119 G C -0.406 174.436 174.900 -0.097 0.000 1.326 119 G CA -0.271 44.759 45.100 -0.117 0.000 1.020 119 G HN 0.040 nan 8.290 nan 0.000 0.586 120 V N -2.255 117.587 119.914 -0.120 0.000 2.864 120 V HA 0.716 5.045 4.120 0.349 0.000 0.314 120 V C -2.833 173.196 176.094 -0.109 0.000 1.073 120 V CA -2.539 59.708 62.300 -0.088 0.000 0.956 120 V CB 1.981 33.767 31.823 -0.061 0.000 1.023 120 V HN 0.414 nan 8.190 nan 0.000 0.435 121 P HA 0.223 nan 4.420 nan 0.000 0.260 121 P C -0.777 176.416 177.300 -0.178 0.000 1.185 121 P CA 0.441 63.452 63.100 -0.149 0.000 0.763 121 P CB 0.598 32.276 31.700 -0.037 0.000 0.776 122 V N 5.186 124.892 119.914 -0.347 0.000 2.735 122 V HA 0.482 4.812 4.120 0.349 0.000 0.310 122 V C -0.480 175.329 176.094 -0.475 0.000 1.061 122 V CA -0.342 61.834 62.300 -0.206 0.000 0.913 122 V CB 1.716 33.504 31.823 -0.059 0.000 1.005 122 V HN 0.287 nan 8.190 nan 0.000 0.428 123 F N 3.019 123.080 119.950 0.184 0.000 2.691 123 F HA 0.828 5.563 4.527 0.348 0.000 0.371 123 F C 0.212 176.107 175.800 0.159 0.000 1.159 123 F CA -0.280 57.860 58.000 0.234 0.000 1.174 123 F CB 1.634 40.635 39.000 0.003 0.000 1.419 123 F HN 0.650 nan 8.300 nan 0.000 0.514 124 A N 2.345 125.396 122.820 0.384 0.000 2.585 124 A HA 0.693 5.223 4.320 0.349 0.000 0.299 124 A C -2.124 175.678 177.584 0.364 0.000 1.047 124 A CA -0.890 51.208 52.037 0.102 0.000 0.723 124 A CB 0.481 19.543 19.000 0.103 0.000 1.275 124 A HN 0.729 nan 8.150 nan 0.000 0.408 125 W N 0.878 122.287 121.300 0.183 0.000 3.137 125 W HA 0.754 5.624 4.660 0.350 0.000 0.324 125 W C -0.602 176.024 176.519 0.178 0.000 1.253 125 W CA -0.920 56.524 57.345 0.165 0.000 1.183 125 W CB 1.056 30.610 29.460 0.156 0.000 1.424 125 W HN 0.761 nan 8.180 nan 0.000 0.566 126 K N 1.337 121.944 120.400 0.345 0.000 2.401 126 K HA 0.426 4.955 4.320 0.349 0.000 0.278 126 K C 0.866 177.684 176.600 0.364 0.000 1.018 126 K CA 1.138 57.599 56.287 0.289 0.000 0.981 126 K CB 0.281 32.943 32.500 0.269 0.000 0.933 126 K HN 1.308 nan 8.250 nan 0.000 0.477 127 G N 2.867 111.883 108.800 0.361 0.000 2.207 127 G HA2 -0.207 3.963 3.960 0.349 0.000 0.216 127 G HA3 -0.207 3.963 3.960 0.349 0.000 0.216 127 G C -0.529 174.558 174.900 0.311 0.000 1.053 127 G CA -0.223 45.135 45.100 0.430 0.000 0.764 127 G HN 0.678 nan 8.290 nan 0.000 0.495 128 E N 0.782 121.006 120.200 0.039 0.000 2.373 128 E HA 0.469 5.029 4.350 0.349 0.000 0.263 128 E C 1.265 177.889 176.600 0.040 0.000 1.073 128 E CA 0.270 56.657 56.400 -0.022 0.000 0.894 128 E CB 0.769 30.252 29.700 -0.362 0.000 1.008 128 E HN 0.464 nan 8.360 nan 0.000 0.420 129 T N -0.888 113.746 114.554 0.133 0.000 2.816 129 T HA 0.181 4.741 4.350 0.349 0.000 0.282 129 T C 1.372 176.119 174.700 0.079 0.000 0.993 129 T CA -0.708 61.454 62.100 0.104 0.000 0.994 129 T CB 0.479 69.434 68.868 0.145 0.000 1.025 129 T HN 0.409 nan 8.240 nan 0.000 0.529 130 L N -0.063 121.209 121.223 0.081 0.000 2.127 130 L HA -0.095 4.454 4.340 0.349 0.000 0.211 130 L C 2.841 179.898 176.870 0.313 0.000 1.089 130 L CA 1.564 56.489 54.840 0.141 0.000 0.757 130 L CB -0.663 41.492 42.059 0.160 0.000 0.899 130 L HN 0.754 nan 8.230 nan 0.000 0.434 131 E N 0.174 120.534 120.200 0.266 0.000 2.072 131 E HA -0.194 4.365 4.350 0.349 0.000 0.190 131 E C 2.071 178.877 176.600 0.343 0.000 0.982 131 E CA 1.174 57.755 56.400 0.302 0.000 0.803 131 E CB 0.021 29.841 29.700 0.200 0.000 0.755 131 E HN 0.560 nan 8.360 nan 0.000 0.453 132 E N -0.175 120.200 120.200 0.291 0.000 2.274 132 E HA -0.227 4.333 4.350 0.349 0.000 0.194 132 E C 1.770 178.545 176.600 0.292 0.000 0.996 132 E CA 0.703 57.320 56.400 0.363 0.000 0.840 132 E CB -0.373 29.591 29.700 0.440 0.000 0.772 132 E HN 0.385 nan 8.360 nan 0.000 0.491 133 Y N 0.864 121.163 120.300 -0.002 0.000 2.089 133 Y HA -0.214 4.545 4.550 0.349 0.000 0.282 133 Y C 1.675 177.465 175.900 -0.184 0.000 1.139 133 Y CA 1.955 59.918 58.100 -0.228 0.000 1.123 133 Y CB -0.490 37.714 38.460 -0.427 0.000 0.980 133 Y HN -0.008 nan 8.280 nan 0.000 0.493 134 W N -1.063 120.347 121.300 0.184 0.000 2.402 134 W HA -0.151 4.717 4.660 0.347 0.000 0.286 134 W C 2.250 178.778 176.519 0.016 0.000 1.221 134 W CA 0.938 58.319 57.345 0.060 0.000 1.257 134 W CB -0.897 28.667 29.460 0.174 0.000 1.120 134 W HN 0.360 nan 8.180 nan 0.000 0.551 135 W N 1.355 122.749 121.300 0.157 0.000 2.332 135 W HA -0.260 4.612 4.660 0.352 0.000 0.321 135 W C 2.453 178.959 176.519 -0.022 0.000 1.219 135 W CA 3.219 60.617 57.345 0.087 0.000 1.277 135 W CB -0.978 28.556 29.460 0.123 0.000 1.161 135 W HN -0.135 nan 8.180 nan 0.000 0.476 136 A N 1.133 123.955 122.820 0.003 0.000 1.896 136 A HA -0.256 4.273 4.320 0.349 0.000 0.220 136 A C 2.155 179.463 177.584 -0.460 0.000 1.206 136 A CA 3.448 55.314 52.037 -0.285 0.000 0.647 136 A CB -1.773 17.178 19.000 -0.080 0.000 0.828 136 A HN 0.639 nan 8.150 nan 0.000 0.455 137 A N -0.706 121.859 122.820 -0.425 0.000 1.883 137 A HA -0.219 4.311 4.320 0.349 0.000 0.217 137 A C 2.077 179.526 177.584 -0.224 0.000 1.186 137 A CA 2.015 53.827 52.037 -0.376 0.000 0.624 137 A CB -0.625 18.130 19.000 -0.408 0.000 0.822 137 A HN 0.736 nan 8.150 nan 0.000 0.444 138 E N -0.771 119.336 120.200 -0.154 0.000 2.110 138 E HA -0.239 4.320 4.350 0.349 0.000 0.193 138 E C 1.987 178.386 176.600 -0.335 0.000 0.988 138 E CA 1.207 57.572 56.400 -0.059 0.000 0.804 138 E CB -0.121 29.608 29.700 0.049 0.000 0.745 138 E HN 0.558 nan 8.360 nan 0.000 0.458 139 Q N 0.031 119.384 119.800 -0.745 0.000 2.170 139 Q HA -0.168 4.381 4.340 0.349 0.000 0.203 139 Q C 2.018 177.463 176.000 -0.926 0.000 0.976 139 Q CA 1.164 56.306 55.803 -1.101 0.000 0.858 139 Q CB -0.333 27.150 28.738 -2.091 0.000 0.907 139 Q HN 0.454 nan 8.270 nan 0.000 0.433 140 M N -0.274 118.932 119.600 -0.657 0.000 2.236 140 M HA -0.046 4.644 4.480 0.349 0.000 0.266 140 M C 1.651 177.790 176.300 -0.268 0.000 1.070 140 M CA 1.168 56.236 55.300 -0.386 0.000 1.137 140 M CB -0.126 32.314 32.600 -0.267 0.000 1.378 140 M HN 0.170 nan 8.290 nan 0.000 0.426 141 L N 0.252 121.395 121.223 -0.134 0.000 2.395 141 L HA 0.004 4.554 4.340 0.349 0.000 0.218 141 L C 0.237 177.177 176.870 0.118 0.000 1.130 141 L CA 0.304 55.189 54.840 0.076 0.000 0.826 141 L CB -0.190 42.001 42.059 0.219 0.000 0.941 141 L HN 0.153 nan 8.230 nan 0.000 0.451 142 T N -0.095 114.414 114.554 -0.075 0.000 2.762 142 T HA 0.167 4.726 4.350 0.349 0.000 0.303 142 T C -0.716 173.931 174.700 -0.088 0.000 0.977 142 T CA -0.372 61.674 62.100 -0.090 0.000 0.961 142 T CB 0.086 68.825 68.868 -0.216 0.000 0.944 142 T HN 0.023 nan 8.240 nan 0.000 0.481 143 W N 4.649 125.884 121.300 -0.109 0.000 2.303 143 W HA 0.429 5.304 4.660 0.357 0.000 0.334 143 W C -1.787 174.695 176.519 -0.061 0.000 1.197 143 W CA -2.018 55.286 57.345 -0.068 0.000 1.262 143 W CB 0.064 29.490 29.460 -0.056 0.000 1.153 143 W HN 0.379 nan 8.180 nan 0.000 0.596 144 P HA 0.032 nan 4.420 nan 0.000 0.274 144 P C -0.511 176.862 177.300 0.122 0.000 1.231 144 P CA 0.159 63.318 63.100 0.098 0.000 0.790 144 P CB 0.844 32.590 31.700 0.078 0.000 0.951 145 D N 1.674 122.114 120.400 0.065 0.000 4.693 145 D HA -0.088 4.761 4.640 0.349 0.000 0.242 145 D C -1.945 174.376 176.300 0.035 0.000 1.084 145 D CA -0.243 53.785 54.000 0.047 0.000 1.227 145 D CB -0.701 40.132 40.800 0.054 0.000 0.779 145 D HN 0.180 nan 8.370 nan 0.000 0.380 146 P HA 0.044 nan 4.420 nan 0.000 0.237 146 P C 0.646 177.936 177.300 -0.016 0.000 1.178 146 P CA 0.539 63.632 63.100 -0.012 0.000 0.766 146 P CB 0.258 31.940 31.700 -0.030 0.000 0.876 147 D N -0.418 119.976 120.400 -0.009 0.000 2.363 147 D HA -0.013 4.836 4.640 0.349 0.000 0.220 147 D C 0.412 176.698 176.300 -0.025 0.000 0.994 147 D CA 0.911 54.902 54.000 -0.014 0.000 0.890 147 D CB -0.004 40.792 40.800 -0.007 0.000 0.906 147 D HN 0.113 nan 8.370 nan 0.000 0.530 148 K N 0.698 121.080 120.400 -0.031 0.000 2.895 148 K HA 0.225 4.755 4.320 0.349 0.000 0.191 148 K C -2.766 173.763 176.600 -0.118 0.000 1.117 148 K CA -1.263 54.977 56.287 -0.078 0.000 0.988 148 K CB 2.275 34.735 32.500 -0.066 0.000 1.181 148 K HN -0.011 nan 8.250 nan 0.000 0.598 149 P HA 0.136 nan 4.420 nan 0.000 0.293 149 P C -0.404 176.630 177.300 -0.444 0.000 1.304 149 P CA -0.632 62.381 63.100 -0.144 0.000 0.767 149 P CB 0.480 32.139 31.700 -0.067 0.000 1.247 150 A N 1.222 123.804 122.820 -0.397 0.000 2.567 150 A HA 0.014 4.543 4.320 0.349 0.000 0.240 150 A C 0.845 178.227 177.584 -0.337 0.000 1.053 150 A CA 0.302 52.060 52.037 -0.465 0.000 0.755 150 A CB -1.086 17.914 19.000 0.001 0.000 0.978 150 A HN 0.702 nan 8.150 nan 0.000 0.507 151 N N 1.162 119.624 118.700 -0.397 0.000 2.197 151 N HA 0.173 5.123 4.740 0.349 0.000 0.201 151 N C -0.359 175.021 175.510 -0.216 0.000 1.148 151 N CA 0.143 53.053 53.050 -0.233 0.000 0.883 151 N CB 0.435 38.849 38.487 -0.122 0.000 1.012 151 N HN 0.479 nan 8.380 nan 0.000 0.507 152 M N 0.835 120.263 119.600 -0.287 0.000 2.378 152 M HA 0.415 5.105 4.480 0.349 0.000 0.289 152 M C -1.398 174.762 176.300 -0.233 0.000 1.136 152 M CA -0.401 54.743 55.300 -0.259 0.000 0.917 152 M CB 2.678 35.108 32.600 -0.283 0.000 1.669 152 M HN -0.106 nan 8.290 nan 0.000 0.461 153 I N 3.112 123.528 120.570 -0.257 0.000 2.377 153 I HA 0.467 4.846 4.170 0.349 0.000 0.293 153 I C -0.698 175.312 176.117 -0.178 0.000 0.987 153 I CA -0.666 60.506 61.300 -0.213 0.000 1.185 153 I CB 1.986 39.857 38.000 -0.215 0.000 1.341 153 I HN 0.540 nan 8.210 nan 0.000 0.455 154 L N 6.076 127.176 121.223 -0.206 0.000 2.294 154 L HA 0.484 5.034 4.340 0.349 0.000 0.283 154 L C -1.227 175.519 176.870 -0.208 0.000 1.015 154 L CA -0.200 54.536 54.840 -0.174 0.000 0.831 154 L CB 0.847 42.826 42.059 -0.133 0.000 1.217 154 L HN 0.532 nan 8.230 nan 0.000 0.420 155 D N 2.706 123.036 120.400 -0.116 0.000 2.481 155 D HA 0.365 5.215 4.640 0.349 0.000 0.244 155 D C -1.572 174.684 176.300 -0.073 0.000 1.057 155 D CA -0.152 53.786 54.000 -0.103 0.000 0.848 155 D CB 2.318 43.082 40.800 -0.059 0.000 1.388 155 D HN 0.354 nan 8.370 nan 0.000 0.475 156 D N 1.164 121.507 120.400 -0.095 0.000 2.575 156 D HA 0.473 5.322 4.640 0.349 0.000 0.250 156 D C 0.810 176.988 176.300 -0.203 0.000 1.279 156 D CA -0.016 53.898 54.000 -0.144 0.000 0.925 156 D CB 0.845 41.575 40.800 -0.118 0.000 1.261 156 D HN 0.563 nan 8.370 nan 0.000 0.567 157 G N 2.474 111.073 108.800 -0.335 0.000 2.279 157 G HA2 -0.117 4.053 3.960 0.349 0.000 0.223 157 G HA3 -0.117 4.053 3.960 0.349 0.000 0.223 157 G C 1.089 176.077 174.900 0.148 0.000 1.015 157 G CA 0.559 45.531 45.100 -0.213 0.000 0.621 157 G HN 1.668 nan 8.290 nan 0.000 0.506 158 G N -0.123 108.744 108.800 0.112 0.000 2.157 158 G HA2 -0.255 3.915 3.960 0.349 0.000 0.248 158 G HA3 -0.255 3.915 3.960 0.349 0.000 0.248 158 G C 0.744 175.787 174.900 0.239 0.000 0.979 158 G CA 1.121 46.325 45.100 0.173 0.000 0.650 158 G HN 0.700 nan 8.290 nan 0.000 0.529 159 D N 0.678 121.241 120.400 0.270 0.000 2.117 159 D HA 0.046 4.896 4.640 0.349 0.000 0.197 159 D C 2.700 179.171 176.300 0.286 0.000 0.987 159 D CA 1.729 55.943 54.000 0.356 0.000 0.829 159 D CB -0.572 40.412 40.800 0.308 0.000 0.961 159 D HN 0.695 nan 8.370 nan 0.000 0.460 160 A N 0.409 123.295 122.820 0.110 0.000 1.877 160 A HA -0.172 4.358 4.320 0.349 0.000 0.216 160 A C 2.381 180.002 177.584 0.062 0.000 1.186 160 A CA 2.210 54.275 52.037 0.047 0.000 0.620 160 A CB -0.961 18.000 19.000 -0.065 0.000 0.822 160 A HN 0.223 nan 8.150 nan 0.000 0.443 161 T N -0.378 114.214 114.554 0.064 0.000 2.788 161 T HA -0.150 4.410 4.350 0.349 0.000 0.268 161 T C 1.911 176.597 174.700 -0.023 0.000 1.044 161 T CA 1.653 63.776 62.100 0.037 0.000 1.139 161 T CB -0.261 68.629 68.868 0.037 0.000 0.867 161 T HN 0.535 nan 8.240 nan 0.000 0.454 162 M N 0.418 120.098 119.600 0.133 0.000 2.156 162 M HA 0.002 4.692 4.480 0.349 0.000 0.264 162 M C 2.089 178.518 176.300 0.215 0.000 1.067 162 M CA 1.237 56.679 55.300 0.236 0.000 1.131 162 M CB -0.197 32.584 32.600 0.302 0.000 1.368 162 M HN 0.178 nan 8.290 nan 0.000 0.416 163 L N 0.258 121.606 121.223 0.208 0.000 1.989 163 L HA -0.156 4.393 4.340 0.349 0.000 0.211 163 L C 2.189 178.755 176.870 -0.507 0.000 1.071 163 L CA 1.756 56.529 54.840 -0.112 0.000 0.749 163 L CB -0.936 41.015 42.059 -0.180 0.000 0.890 163 L HN 0.187 nan 8.230 nan 0.000 0.431 164 V N -0.677 119.082 119.914 -0.257 0.000 2.358 164 V HA -0.273 4.057 4.120 0.349 0.000 0.246 164 V C 2.483 178.545 176.094 -0.052 0.000 1.047 164 V CA 1.891 64.154 62.300 -0.063 0.000 1.035 164 V CB -0.398 31.516 31.823 0.151 0.000 0.658 164 V HN 0.417 nan 8.190 nan 0.000 0.452 165 L N -1.143 119.997 121.223 -0.138 0.000 2.162 165 L HA 0.013 4.563 4.340 0.349 0.000 0.205 165 L C 2.796 179.570 176.870 -0.161 0.000 1.086 165 L CA 0.682 55.389 54.840 -0.221 0.000 0.778 165 L CB -0.423 41.279 42.059 -0.596 0.000 0.928 165 L HN 0.198 nan 8.230 nan 0.000 0.446 166 R N 0.384 120.813 120.500 -0.118 0.000 2.062 166 R HA -0.000 4.549 4.340 0.349 0.000 0.229 166 R C 2.223 178.205 176.300 -0.529 0.000 1.128 166 R CA 1.280 57.190 56.100 -0.317 0.000 0.960 166 R CB -1.478 28.794 30.300 -0.047 0.000 0.855 166 R HN 0.301 nan 8.270 nan 0.000 0.432 167 G N 0.911 109.476 108.800 -0.392 0.000 2.501 167 G HA2 -0.260 3.910 3.960 0.349 0.000 0.220 167 G HA3 -0.260 3.910 3.960 0.349 0.000 0.220 167 G C 1.465 176.386 174.900 0.035 0.000 1.114 167 G CA 0.726 45.619 45.100 -0.345 0.000 0.757 167 G HN 0.286 nan 8.290 nan 0.000 0.559 168 M N -0.106 119.496 119.600 0.004 0.000 2.216 168 M HA 0.029 4.719 4.480 0.349 0.000 0.264 168 M C 2.593 178.886 176.300 -0.011 0.000 1.080 168 M CA 1.634 56.980 55.300 0.077 0.000 1.153 168 M CB -0.099 32.534 32.600 0.055 0.000 1.356 168 M HN 0.336 nan 8.290 nan 0.000 0.432 169 Q N -0.594 119.120 119.800 -0.143 0.000 2.291 169 Q HA -0.182 4.367 4.340 0.349 0.000 0.205 169 Q C 1.066 176.993 176.000 -0.122 0.000 0.970 169 Q CA 1.341 57.052 55.803 -0.152 0.000 0.876 169 Q CB -0.172 28.445 28.738 -0.201 0.000 0.935 169 Q HN 0.619 nan 8.270 nan 0.000 0.455 170 Y N 1.217 121.467 120.300 -0.083 0.000 2.420 170 Y HA 0.054 4.815 4.550 0.352 0.000 0.292 170 Y C 1.781 177.480 175.900 -0.334 0.000 1.119 170 Y CA 0.714 58.679 58.100 -0.225 0.000 1.229 170 Y CB -0.070 38.202 38.460 -0.313 0.000 1.026 170 Y HN 0.238 nan 8.280 nan 0.000 0.554 171 E N 0.215 120.407 120.200 -0.014 0.000 2.150 171 E HA -0.151 4.409 4.350 0.349 0.000 0.193 171 E C 1.856 178.558 176.600 0.169 0.000 0.985 171 E CA 0.902 57.390 56.400 0.146 0.000 0.814 171 E CB -0.062 29.809 29.700 0.285 0.000 0.752 171 E HN 0.426 nan 8.360 nan 0.000 0.466 172 K N 0.319 120.776 120.400 0.095 0.000 2.167 172 K HA 0.058 4.587 4.320 0.349 0.000 0.203 172 K C 1.939 178.588 176.600 0.082 0.000 1.052 172 K CA 0.732 57.070 56.287 0.086 0.000 0.956 172 K CB 0.159 32.691 32.500 0.054 0.000 0.735 172 K HN -0.008 nan 8.250 nan 0.000 0.451 173 A N 0.495 123.357 122.820 0.070 0.000 2.235 173 A HA 0.114 4.643 4.320 0.349 0.000 0.208 173 A C 1.490 179.122 177.584 0.081 0.000 1.172 173 A CA 0.969 53.047 52.037 0.069 0.000 0.786 173 A CB -0.541 18.506 19.000 0.078 0.000 0.804 173 A HN 0.427 nan 8.150 nan 0.000 0.479 174 G N -2.102 106.777 108.800 0.132 0.000 2.196 174 G HA2 -0.169 4.001 3.960 0.349 0.000 0.268 174 G HA3 -0.169 4.001 3.960 0.349 0.000 0.268 174 G C 0.249 175.306 174.900 0.260 0.000 0.975 174 G CA 0.671 45.938 45.100 0.279 0.000 0.648 174 G HN 1.469 nan 8.290 nan 0.000 0.538 175 V N 0.004 119.890 119.914 -0.047 0.000 2.852 175 V HA 0.517 4.846 4.120 0.349 0.000 0.300 175 V C -0.046 175.846 176.094 -0.337 0.000 1.205 175 V CA -0.574 61.641 62.300 -0.142 0.000 0.940 175 V CB 2.234 34.058 31.823 0.002 0.000 1.047 175 V HN 0.545 nan 8.190 nan 0.000 0.429 176 V N 8.982 128.608 119.914 -0.480 0.000 2.508 176 V HA 0.356 4.685 4.120 0.349 0.000 0.281 176 V C -1.733 174.075 176.094 -0.477 0.000 1.041 176 V CA -0.951 60.974 62.300 -0.625 0.000 1.016 176 V CB 1.134 32.647 31.823 -0.517 0.000 0.984 176 V HN 0.820 nan 8.190 nan 0.000 0.478 177 P HA 0.353 nan 4.420 nan 0.000 0.276 177 P C -2.608 174.529 177.300 -0.270 0.000 1.244 177 P CA -1.611 61.293 63.100 -0.326 0.000 0.801 177 P CB 0.150 31.693 31.700 -0.263 0.000 1.006 178 P HA 0.219 nan 4.420 nan 0.000 0.274 178 P C -0.875 176.367 177.300 -0.095 0.000 1.246 178 P CA -0.332 62.698 63.100 -0.116 0.000 0.795 178 P CB 0.544 32.206 31.700 -0.064 0.000 1.006 179 A N 1.358 124.132 122.820 -0.077 0.000 2.290 179 A HA 0.250 4.780 4.320 0.349 0.000 0.310 179 A C 0.432 178.031 177.584 0.025 0.000 1.202 179 A CA -0.579 51.450 52.037 -0.013 0.000 0.837 179 A CB -0.026 18.956 19.000 -0.031 0.000 1.139 179 A HN 0.564 nan 8.150 nan 0.000 0.509 180 E N 1.021 121.258 120.200 0.063 0.000 2.408 180 E HA 0.001 4.560 4.350 0.349 0.000 0.259 180 E C 0.579 177.203 176.600 0.040 0.000 1.110 180 E CA -0.086 56.341 56.400 0.045 0.000 0.929 180 E CB 0.490 30.219 29.700 0.047 0.000 0.971 180 E HN 0.781 nan 8.360 nan 0.000 0.438 181 E N 1.256 121.472 120.200 0.026 0.000 2.197 181 E HA -0.262 4.297 4.350 0.349 0.000 0.205 181 E C 0.031 176.647 176.600 0.027 0.000 1.029 181 E CA 1.701 58.114 56.400 0.022 0.000 0.828 181 E CB -0.216 29.494 29.700 0.016 0.000 0.737 181 E HN 0.442 nan 8.360 nan 0.000 0.464 182 D N -0.034 120.384 120.400 0.030 0.000 2.997 182 D HA 0.182 5.032 4.640 0.349 0.000 0.362 182 D C -0.786 175.537 176.300 0.038 0.000 1.298 182 D CA -0.406 53.611 54.000 0.030 0.000 0.756 182 D CB 0.198 41.008 40.800 0.017 0.000 1.216 182 D HN -0.203 nan 8.370 nan 0.000 0.496 183 D N 1.309 121.751 120.400 0.069 0.000 2.313 183 D HA 0.202 5.051 4.640 0.349 0.000 0.247 183 D C -1.989 174.370 176.300 0.097 0.000 1.094 183 D CA -1.340 52.722 54.000 0.103 0.000 0.925 183 D CB 1.089 42.033 40.800 0.240 0.000 1.188 183 D HN 0.047 nan 8.370 nan 0.000 0.430 184 P HA -0.058 nan 4.420 nan 0.000 0.263 184 P C 0.209 177.583 177.300 0.123 0.000 1.168 184 P CA 0.093 63.236 63.100 0.073 0.000 0.759 184 P CB 0.467 32.188 31.700 0.035 0.000 0.782 185 A N 3.789 126.663 122.820 0.090 0.000 1.927 185 A HA -0.300 4.229 4.320 0.349 0.000 0.220 185 A C 2.170 179.838 177.584 0.139 0.000 1.185 185 A CA 2.306 54.402 52.037 0.099 0.000 0.639 185 A CB -1.229 17.821 19.000 0.083 0.000 0.820 185 A HN 0.638 nan 8.150 nan 0.000 0.451 186 E N -1.276 119.019 120.200 0.157 0.000 2.118 186 E HA -0.216 4.343 4.350 0.349 0.000 0.195 186 E C 1.878 178.651 176.600 0.288 0.000 0.992 186 E CA 1.259 57.816 56.400 0.262 0.000 0.804 186 E CB -0.307 29.501 29.700 0.180 0.000 0.741 186 E HN 0.789 nan 8.360 nan 0.000 0.458 187 W N 1.125 122.408 121.300 -0.029 0.000 2.363 187 W HA -0.204 4.664 4.660 0.347 0.000 0.296 187 W C 1.682 178.201 176.519 0.000 0.000 1.212 187 W CA 1.253 58.560 57.345 -0.064 0.000 1.260 187 W CB 0.090 29.497 29.460 -0.089 0.000 1.131 187 W HN 0.076 nan 8.180 nan 0.000 0.530 188 K N -0.357 120.082 120.400 0.064 0.000 2.062 188 K HA -0.138 4.392 4.320 0.349 0.000 0.205 188 K C 1.670 178.222 176.600 -0.081 0.000 1.051 188 K CA 1.416 57.676 56.287 -0.046 0.000 0.941 188 K CB -0.707 31.805 32.500 0.019 0.000 0.719 188 K HN -0.001 nan 8.250 nan 0.000 0.440 189 V N 1.395 121.309 119.914 0.000 0.000 2.490 189 V HA -0.228 4.101 4.120 0.349 0.000 0.250 189 V C 1.924 177.894 176.094 -0.206 0.000 1.061 189 V CA 1.549 63.852 62.300 0.006 0.000 1.064 189 V CB -0.512 31.436 31.823 0.209 0.000 0.670 189 V HN 0.231 nan 8.190 nan 0.000 0.461 190 F N 0.504 120.094 119.950 -0.599 0.000 2.060 190 F HA -0.130 4.605 4.527 0.347 0.000 0.295 190 F C 2.082 177.440 175.800 -0.737 0.000 1.120 190 F CA 1.703 59.068 58.000 -1.058 0.000 1.205 190 F CB -0.267 38.043 39.000 -1.151 0.000 0.986 190 F HN 0.009 nan 8.300 nan 0.000 0.470 191 L N 0.609 121.474 121.223 -0.597 0.000 2.013 191 L HA -0.323 4.227 4.340 0.349 0.000 0.212 191 L C 2.183 178.804 176.870 -0.414 0.000 1.073 191 L CA 2.164 56.649 54.840 -0.592 0.000 0.753 191 L CB -1.238 40.471 42.059 -0.583 0.000 0.890 191 L HN 0.277 nan 8.230 nan 0.000 0.432 192 N N -0.151 118.377 118.700 -0.287 0.000 2.060 192 N HA -0.277 4.672 4.740 0.349 0.000 0.195 192 N C 1.824 177.244 175.510 -0.149 0.000 1.028 192 N CA 1.387 54.336 53.050 -0.167 0.000 0.861 192 N CB -0.179 38.257 38.487 -0.085 0.000 1.029 192 N HN 0.196 nan 8.380 nan 0.000 0.428 193 L N 0.728 121.828 121.223 -0.206 0.000 2.093 193 L HA -0.074 4.476 4.340 0.349 0.000 0.208 193 L C 1.714 178.519 176.870 -0.109 0.000 1.085 193 L CA 1.267 56.034 54.840 -0.121 0.000 0.755 193 L CB -0.086 41.894 42.059 -0.133 0.000 0.904 193 L HN 0.217 nan 8.230 nan 0.000 0.435 194 L N -0.980 120.084 121.223 -0.265 0.000 2.068 194 L HA -0.103 4.447 4.340 0.349 0.000 0.204 194 L C 2.783 179.644 176.870 -0.015 0.000 1.076 194 L CA 1.101 55.852 54.840 -0.148 0.000 0.753 194 L CB -0.515 41.326 42.059 -0.364 0.000 0.910 194 L HN 0.239 nan 8.230 nan 0.000 0.439 195 R N -0.215 120.223 120.500 -0.103 0.000 2.091 195 R HA -0.162 4.388 4.340 0.349 0.000 0.238 195 R C 2.227 178.569 176.300 0.069 0.000 1.136 195 R CA 2.055 58.145 56.100 -0.016 0.000 0.959 195 R CB -0.216 30.027 30.300 -0.095 0.000 0.856 195 R HN 0.265 nan 8.270 nan 0.000 0.437 196 T N 0.319 114.891 114.554 0.029 0.000 2.708 196 T HA -0.164 4.396 4.350 0.349 0.000 0.266 196 T C 1.718 176.459 174.700 0.068 0.000 1.037 196 T CA 1.611 63.737 62.100 0.043 0.000 1.146 196 T CB -0.254 68.635 68.868 0.035 0.000 0.865 196 T HN 0.188 nan 8.240 nan 0.000 0.435 197 R N 0.667 121.227 120.500 0.099 0.000 2.096 197 R HA 0.040 4.589 4.340 0.349 0.000 0.235 197 R C 1.858 178.244 176.300 0.143 0.000 1.127 197 R CA 1.137 57.303 56.100 0.110 0.000 0.968 197 R CB -1.113 29.291 30.300 0.173 0.000 0.861 197 R HN 0.386 nan 8.270 nan 0.000 0.440 198 F N 1.405 121.368 119.950 0.022 0.000 2.365 198 F HA -0.013 4.723 4.527 0.348 0.000 0.300 198 F C 1.408 177.206 175.800 -0.003 0.000 1.090 198 F CA 1.336 59.347 58.000 0.019 0.000 1.408 198 F CB 0.047 39.062 39.000 0.026 0.000 1.060 198 F HN 0.170 nan 8.300 nan 0.000 0.534 199 E N -1.131 119.070 120.200 0.001 0.000 2.208 199 E HA -0.140 4.419 4.350 0.349 0.000 0.193 199 E C 1.887 178.419 176.600 -0.113 0.000 0.988 199 E CA 1.625 57.976 56.400 -0.082 0.000 0.828 199 E CB -0.173 29.515 29.700 -0.020 0.000 0.763 199 E HN 0.471 nan 8.360 nan 0.000 0.478 200 T N -2.752 111.752 114.554 -0.084 0.000 2.985 200 T HA 0.072 4.632 4.350 0.349 0.000 0.254 200 T C 0.250 174.887 174.700 -0.104 0.000 1.021 200 T CA -0.227 61.824 62.100 -0.082 0.000 0.957 200 T CB 0.590 69.429 68.868 -0.049 0.000 1.047 200 T HN -0.165 nan 8.240 nan 0.000 0.511 201 D N 0.514 120.843 120.400 -0.120 0.000 2.318 201 D HA 0.249 5.098 4.640 0.349 0.000 0.233 201 D C 0.152 176.397 176.300 -0.092 0.000 1.348 201 D CA -0.349 53.581 54.000 -0.117 0.000 0.983 201 D CB 1.398 42.122 40.800 -0.127 0.000 1.416 201 D HN 0.055 nan 8.370 nan 0.000 0.558 202 K N 1.002 121.320 120.400 -0.136 0.000 2.404 202 K HA 0.087 4.617 4.320 0.349 0.000 0.194 202 K C 0.131 176.802 176.600 0.117 0.000 1.023 202 K CA 0.297 56.524 56.287 -0.099 0.000 1.094 202 K CB 0.837 33.131 32.500 -0.342 0.000 0.841 202 K HN 0.238 nan 8.250 nan 0.000 0.523 203 D N -0.211 120.209 120.400 0.032 0.000 2.563 203 D HA 0.005 4.855 4.640 0.349 0.000 0.237 203 D C 1.177 177.463 176.300 -0.023 0.000 1.282 203 D CA -0.326 53.698 54.000 0.040 0.000 0.816 203 D CB 0.312 41.120 40.800 0.014 0.000 1.066 203 D HN -0.152 nan 8.370 nan 0.000 0.501 204 K N 0.158 120.485 120.400 -0.121 0.000 2.025 204 K HA -0.094 4.435 4.320 0.349 0.000 0.207 204 K C 0.857 177.253 176.600 -0.341 0.000 1.049 204 K CA 1.120 57.204 56.287 -0.338 0.000 0.933 204 K CB -0.074 32.050 32.500 -0.627 0.000 0.714 204 K HN 0.250 nan 8.250 nan 0.000 0.438 205 W N 0.546 121.871 121.300 0.041 0.000 2.494 205 W HA -0.016 4.851 4.660 0.345 0.000 0.286 205 W C 2.322 178.862 176.519 0.035 0.000 1.218 205 W CA 0.483 57.845 57.345 0.029 0.000 1.313 205 W CB -0.458 29.009 29.460 0.012 0.000 1.105 205 W HN 0.032 nan 8.180 nan 0.000 0.561 206 T N 0.881 115.571 114.554 0.227 0.000 2.635 206 T HA -0.232 4.328 4.350 0.349 0.000 0.267 206 T C 1.812 176.575 174.700 0.105 0.000 1.040 206 T CA 1.578 63.762 62.100 0.140 0.000 1.156 206 T CB -0.268 68.664 68.868 0.107 0.000 0.863 206 T HN 0.002 nan 8.240 nan 0.000 0.430 207 K N 0.468 120.904 120.400 0.060 0.000 2.097 207 K HA 0.063 4.593 4.320 0.349 0.000 0.206 207 K C 2.285 178.911 176.600 0.043 0.000 1.049 207 K CA 0.954 57.259 56.287 0.029 0.000 0.933 207 K CB -0.423 32.067 32.500 -0.017 0.000 0.717 207 K HN 0.400 nan 8.250 nan 0.000 0.442 208 I N 0.829 121.437 120.570 0.063 0.000 2.286 208 I HA -0.222 4.157 4.170 0.349 0.000 0.245 208 I C 2.435 178.639 176.117 0.146 0.000 1.104 208 I CA 0.876 62.231 61.300 0.092 0.000 1.397 208 I CB -0.287 37.797 38.000 0.139 0.000 1.072 208 I HN 0.051 nan 8.210 nan 0.000 0.417 209 A N 0.366 123.321 122.820 0.226 0.000 1.933 209 A HA -0.222 4.308 4.320 0.349 0.000 0.218 209 A C 2.153 179.907 177.584 0.284 0.000 1.175 209 A CA 1.627 53.861 52.037 0.330 0.000 0.628 209 A CB -0.533 18.622 19.000 0.257 0.000 0.814 209 A HN 0.439 nan 8.150 nan 0.000 0.444 210 E N -0.741 119.556 120.200 0.161 0.000 2.204 210 E HA -0.097 4.463 4.350 0.349 0.000 0.194 210 E C 2.059 178.717 176.600 0.096 0.000 0.989 210 E CA 0.970 57.441 56.400 0.119 0.000 0.824 210 E CB -0.092 29.652 29.700 0.073 0.000 0.756 210 E HN 0.547 nan 8.360 nan 0.000 0.477 211 S N 0.095 115.834 115.700 0.064 0.000 2.461 211 S HA -0.020 4.659 4.470 0.349 0.000 0.228 211 S C 0.717 175.306 174.600 -0.018 0.000 1.005 211 S CA 0.029 58.235 58.200 0.011 0.000 0.942 211 S CB 0.280 63.460 63.200 -0.033 0.000 0.776 211 S HN -0.077 nan 8.310 nan 0.000 0.514 212 V N 3.629 123.518 119.914 -0.041 0.000 2.427 212 V HA 0.207 4.537 4.120 0.349 0.000 0.268 212 V C 0.952 176.945 176.094 -0.168 0.000 1.046 212 V CA -0.227 61.917 62.300 -0.260 0.000 0.970 212 V CB 1.305 32.673 31.823 -0.757 0.000 1.001 212 V HN 0.265 nan 8.190 nan 0.000 0.476 213 K N 3.412 123.762 120.400 -0.084 0.000 2.228 213 K HA 0.203 4.732 4.320 0.349 0.000 0.202 213 K C 0.823 177.426 176.600 0.004 0.000 1.051 213 K CA 0.793 57.101 56.287 0.034 0.000 0.960 213 K CB 0.421 33.019 32.500 0.164 0.000 0.743 213 K HN 0.837 nan 8.250 nan 0.000 0.458 214 G N 0.052 108.766 108.800 -0.143 0.000 2.596 214 G HA2 0.301 4.471 3.960 0.349 0.000 0.296 214 G HA3 0.301 4.471 3.960 0.349 0.000 0.296 214 G C -1.950 172.814 174.900 -0.227 0.000 1.513 214 G CA -0.595 44.438 45.100 -0.112 0.000 0.851 214 G HN -0.068 nan 8.290 nan 0.000 0.548 215 V N 1.028 120.874 119.914 -0.113 0.000 2.581 215 V HA 0.882 5.211 4.120 0.349 0.000 0.303 215 V C 0.231 176.301 176.094 -0.041 0.000 1.041 215 V CA 0.119 62.360 62.300 -0.099 0.000 0.907 215 V CB 1.972 33.789 31.823 -0.009 0.000 0.994 215 V HN 1.403 nan 8.190 nan 0.000 0.442 216 T N 2.601 117.122 114.554 -0.056 0.000 2.770 216 T HA 0.661 5.221 4.350 0.349 0.000 0.283 216 T C -0.658 174.029 174.700 -0.021 0.000 0.988 216 T CA -0.557 61.526 62.100 -0.028 0.000 0.957 216 T CB 1.374 70.226 68.868 -0.027 0.000 0.930 216 T HN 0.784 nan 8.240 nan 0.000 0.443 217 E N 1.977 122.169 120.200 -0.013 0.000 2.158 217 E HA 0.304 4.863 4.350 0.349 0.000 0.271 217 E C 0.555 177.141 176.600 -0.023 0.000 0.911 217 E CA -0.633 55.750 56.400 -0.028 0.000 0.767 217 E CB 1.609 31.282 29.700 -0.045 0.000 1.120 217 E HN 0.697 nan 8.360 nan 0.000 0.405 218 E N 2.477 122.663 120.200 -0.022 0.000 2.400 218 E HA 0.040 4.599 4.350 0.349 0.000 0.195 218 E C -0.340 176.239 176.600 -0.035 0.000 1.012 218 E CA 0.417 56.821 56.400 0.007 0.000 0.875 218 E CB 0.651 30.391 29.700 0.066 0.000 0.859 218 E HN 0.493 nan 8.360 nan 0.000 0.498 219 T N -1.321 113.172 114.554 -0.101 0.000 2.906 219 T HA 0.198 4.757 4.350 0.349 0.000 0.295 219 T C 0.915 175.534 174.700 -0.136 0.000 1.061 219 T CA -0.380 61.640 62.100 -0.134 0.000 1.000 219 T CB 1.726 70.457 68.868 -0.229 0.000 1.103 219 T HN -0.116 nan 8.240 nan 0.000 0.486 220 T N 2.492 116.986 114.554 -0.100 0.000 2.624 220 T HA -0.180 4.380 4.350 0.349 0.000 0.268 220 T C 1.989 176.637 174.700 -0.087 0.000 1.041 220 T CA 2.509 64.565 62.100 -0.074 0.000 1.159 220 T CB -0.879 67.961 68.868 -0.047 0.000 0.863 220 T HN 0.787 nan 8.240 nan 0.000 0.434 221 T N 1.382 115.865 114.554 -0.119 0.000 2.597 221 T HA -0.155 4.405 4.350 0.349 0.000 0.267 221 T C 2.255 176.902 174.700 -0.089 0.000 1.053 221 T CA 1.650 63.678 62.100 -0.120 0.000 1.165 221 T CB -1.236 67.490 68.868 -0.237 0.000 0.863 221 T HN 0.577 nan 8.240 nan 0.000 0.427 222 G N 0.894 109.605 108.800 -0.149 0.000 2.513 222 G HA2 -0.229 3.941 3.960 0.349 0.000 0.219 222 G HA3 -0.229 3.941 3.960 0.349 0.000 0.219 222 G C 1.726 176.577 174.900 -0.080 0.000 1.160 222 G CA 1.136 46.189 45.100 -0.078 0.000 0.767 222 G HN 0.458 nan 8.290 nan 0.000 0.571 223 V N 0.948 120.773 119.914 -0.148 0.000 2.490 223 V HA -0.137 4.192 4.120 0.349 0.000 0.250 223 V C 2.703 178.579 176.094 -0.363 0.000 1.061 223 V CA 1.779 63.905 62.300 -0.290 0.000 1.064 223 V CB -0.276 31.380 31.823 -0.277 0.000 0.670 223 V HN 0.459 nan 8.190 nan 0.000 0.461 224 L N -0.044 121.102 121.223 -0.128 0.000 2.156 224 L HA -0.043 4.507 4.340 0.349 0.000 0.208 224 L C 2.445 179.325 176.870 0.018 0.000 1.095 224 L CA 1.659 56.506 54.840 0.012 0.000 0.770 224 L CB -0.547 41.540 42.059 0.048 0.000 0.914 224 L HN 0.093 nan 8.230 nan 0.000 0.439 225 R N -0.339 120.162 120.500 0.001 0.000 2.092 225 R HA -0.031 4.519 4.340 0.349 0.000 0.231 225 R C 2.311 178.667 176.300 0.093 0.000 1.119 225 R CA 1.673 57.779 56.100 0.011 0.000 0.970 225 R CB -0.553 29.794 30.300 0.078 0.000 0.864 225 R HN 0.385 nan 8.270 nan 0.000 0.440 226 L N -0.475 120.812 121.223 0.105 0.000 2.042 226 L HA -0.242 4.308 4.340 0.349 0.000 0.210 226 L C 2.019 178.973 176.870 0.141 0.000 1.076 226 L CA 1.304 56.223 54.840 0.132 0.000 0.749 226 L CB -0.424 41.592 42.059 -0.072 0.000 0.893 226 L HN 0.217 nan 8.230 nan 0.000 0.432 227 Y N 0.125 120.464 120.300 0.064 0.000 2.403 227 Y HA -0.221 4.536 4.550 0.346 0.000 0.291 227 Y C 2.636 178.534 175.900 -0.003 0.000 1.143 227 Y CA 0.776 58.889 58.100 0.022 0.000 1.257 227 Y CB -0.612 37.849 38.460 0.003 0.000 0.984 227 Y HN 0.336 nan 8.280 nan 0.000 0.550 228 Q N -1.789 118.074 119.800 0.106 0.000 2.123 228 Q HA -0.073 4.476 4.340 0.349 0.000 0.196 228 Q C 1.925 177.870 176.000 -0.091 0.000 0.958 228 Q CA 0.883 56.659 55.803 -0.045 0.000 0.841 228 Q CB -0.310 28.334 28.738 -0.156 0.000 0.915 228 Q HN 0.349 nan 8.270 nan 0.000 0.455 229 F N 0.963 120.917 119.950 0.007 0.000 2.126 229 F HA -0.209 4.529 4.527 0.352 0.000 0.299 229 F C 2.371 178.160 175.800 -0.018 0.000 1.096 229 F CA 1.351 59.339 58.000 -0.020 0.000 1.255 229 F CB -0.531 38.444 39.000 -0.040 0.000 0.997 229 F HN 0.075 nan 8.300 nan 0.000 0.479 230 A N -0.386 122.550 122.820 0.192 0.000 1.968 230 A HA 0.081 4.610 4.320 0.349 0.000 0.217 230 A C 2.356 179.981 177.584 0.067 0.000 1.169 230 A CA 1.293 53.399 52.037 0.114 0.000 0.638 230 A CB -1.180 17.895 19.000 0.123 0.000 0.812 230 A HN 0.281 nan 8.150 nan 0.000 0.446 231 A N -0.203 122.651 122.820 0.057 0.000 1.972 231 A HA 0.213 4.743 4.320 0.349 0.000 0.219 231 A C 2.310 179.898 177.584 0.008 0.000 1.169 231 A CA 1.828 53.876 52.037 0.018 0.000 0.635 231 A CB -0.667 18.335 19.000 0.003 0.000 0.810 231 A HN 1.002 nan 8.150 nan 0.000 0.446 232 A N -2.200 120.626 122.820 0.011 0.000 2.178 232 A HA 0.417 4.946 4.320 0.349 0.000 0.211 232 A C 1.788 179.386 177.584 0.023 0.000 1.157 232 A CA 1.250 53.290 52.037 0.005 0.000 0.780 232 A CB -0.635 18.356 19.000 -0.015 0.000 0.828 232 A HN 1.862 nan 8.150 nan 0.000 0.476 233 G N -0.555 108.268 108.800 0.037 0.000 2.141 233 G HA2 -0.196 3.974 3.960 0.349 0.000 0.231 233 G HA3 -0.196 3.974 3.960 0.349 0.000 0.231 233 G C 0.146 175.062 174.900 0.026 0.000 0.984 233 G CA 0.450 45.566 45.100 0.027 0.000 0.660 233 G HN 0.397 nan 8.290 nan 0.000 0.525 234 D N -0.454 119.987 120.400 0.068 0.000 2.339 234 D HA 0.170 5.019 4.640 0.349 0.000 0.217 234 D C 1.149 177.406 176.300 -0.072 0.000 1.050 234 D CA -0.182 53.852 54.000 0.056 0.000 0.856 234 D CB 0.385 41.318 40.800 0.221 0.000 0.922 234 D HN 0.431 nan 8.370 nan 0.000 0.518 235 L N 1.138 122.319 121.223 -0.070 0.000 2.433 235 L HA 0.265 4.815 4.340 0.349 0.000 0.275 235 L C 1.099 177.743 176.870 -0.377 0.000 1.128 235 L CA -0.182 54.509 54.840 -0.248 0.000 0.875 235 L CB 0.793 42.797 42.059 -0.093 0.000 1.171 235 L HN -0.089 nan 8.230 nan 0.000 0.463 236 A N 5.619 127.966 122.820 -0.790 0.000 2.251 236 A HA 0.313 4.842 4.320 0.349 0.000 0.209 236 A C -0.115 177.196 177.584 -0.456 0.000 1.187 236 A CA 0.421 52.046 52.037 -0.687 0.000 0.823 236 A CB -0.690 17.883 19.000 -0.713 0.000 0.846 236 A HN 0.684 nan 8.150 nan 0.000 0.486 237 F N -4.120 115.837 119.950 0.012 0.000 2.744 237 F HA 0.568 5.297 4.527 0.336 0.000 0.311 237 F C -3.278 172.555 175.800 0.056 0.000 1.144 237 F CA -3.421 54.597 58.000 0.030 0.000 0.938 237 F CB 0.464 39.470 39.000 0.009 0.000 1.292 237 F HN -0.279 nan 8.300 nan 0.000 0.444 238 P HA 0.391 nan 4.420 nan 0.000 0.269 238 P C -1.062 176.392 177.300 0.256 0.000 1.215 238 P CA 0.074 63.358 63.100 0.306 0.000 0.780 238 P CB 1.278 33.135 31.700 0.261 0.000 0.898 239 A N 3.373 126.350 122.820 0.261 0.000 2.371 239 A HA 0.662 5.191 4.320 0.349 0.000 0.311 239 A C -0.432 177.262 177.584 0.183 0.000 1.068 239 A CA -0.864 51.277 52.037 0.173 0.000 0.744 239 A CB 0.756 19.838 19.000 0.138 0.000 1.239 239 A HN 0.450 nan 8.150 nan 0.000 0.435 240 I N 2.358 122.979 120.570 0.085 0.000 2.321 240 I HA 0.178 4.558 4.170 0.349 0.000 0.291 240 I C 0.086 176.238 176.117 0.057 0.000 0.998 240 I CA -0.647 60.715 61.300 0.103 0.000 1.227 240 I CB 1.501 39.535 38.000 0.057 0.000 1.368 240 I HN 0.693 nan 8.210 nan 0.000 0.466 241 N N 6.626 125.364 118.700 0.064 0.000 2.421 241 N HA 0.055 5.005 4.740 0.349 0.000 0.260 241 N C 0.491 176.023 175.510 0.037 0.000 1.173 241 N CA 0.144 53.198 53.050 0.007 0.000 0.960 241 N CB 1.121 39.602 38.487 -0.010 0.000 1.273 241 N HN 0.418 nan 8.380 nan 0.000 0.497 242 V N 3.336 123.263 119.914 0.022 0.000 2.788 242 V HA -0.107 4.223 4.120 0.349 0.000 0.251 242 V C 2.318 178.429 176.094 0.029 0.000 1.068 242 V CA 0.927 63.248 62.300 0.035 0.000 1.090 242 V CB -0.762 31.087 31.823 0.044 0.000 0.710 242 V HN 0.747 nan 8.190 nan 0.000 0.467 243 N N 0.665 119.371 118.700 0.010 0.000 2.205 243 N HA -0.218 4.732 4.740 0.349 0.000 0.186 243 N C 1.121 176.642 175.510 0.019 0.000 1.015 243 N CA 1.751 54.803 53.050 0.004 0.000 0.862 243 N CB 0.045 38.519 38.487 -0.023 0.000 0.986 243 N HN 0.426 nan 8.380 nan 0.000 0.429 244 D N -0.034 120.388 120.400 0.036 0.000 2.379 244 D HA 0.111 4.961 4.640 0.349 0.000 0.208 244 D C -0.020 176.315 176.300 0.059 0.000 1.065 244 D CA 0.048 54.081 54.000 0.054 0.000 0.848 244 D CB 0.163 41.015 40.800 0.087 0.000 0.949 244 D HN -0.008 nan 8.370 nan 0.000 0.509 245 S N 0.284 116.014 115.700 0.051 0.000 2.643 245 S HA -0.068 4.611 4.470 0.349 0.000 0.310 245 S C 1.829 176.447 174.600 0.030 0.000 1.253 245 S CA -0.263 57.960 58.200 0.038 0.000 1.047 245 S CB 1.154 64.370 63.200 0.027 0.000 0.767 245 S HN -0.030 nan 8.310 nan 0.000 0.498 246 V N 3.405 123.320 119.914 0.001 0.000 2.515 246 V HA -0.133 4.197 4.120 0.349 0.000 0.250 246 V C 2.381 178.548 176.094 0.121 0.000 1.058 246 V CA 2.022 64.304 62.300 -0.030 0.000 1.064 246 V CB -1.153 30.493 31.823 -0.295 0.000 0.675 246 V HN 1.066 nan 8.190 nan 0.000 0.461 247 T N -3.056 111.542 114.554 0.074 0.000 3.194 247 T HA 0.046 4.605 4.350 0.349 0.000 0.251 247 T C 1.497 176.250 174.700 0.089 0.000 1.132 247 T CA 0.415 62.552 62.100 0.062 0.000 1.028 247 T CB 0.233 68.969 68.868 -0.220 0.000 0.976 247 T HN 0.287 nan 8.240 nan 0.000 0.535 248 K N 1.863 122.319 120.400 0.093 0.000 2.274 248 K HA 0.098 4.628 4.320 0.349 0.000 0.219 248 K C 2.596 179.236 176.600 0.066 0.000 1.058 248 K CA 1.293 57.615 56.287 0.059 0.000 0.920 248 K CB -0.463 32.052 32.500 0.025 0.000 1.124 248 K HN 0.391 nan 8.250 nan 0.000 0.464 249 S N 1.866 117.583 115.700 0.027 0.000 2.380 249 S HA -0.127 4.552 4.470 0.349 0.000 0.229 249 S C 1.584 176.114 174.600 -0.117 0.000 1.043 249 S CA 1.204 59.386 58.200 -0.031 0.000 1.038 249 S CB -0.240 62.943 63.200 -0.028 0.000 0.872 249 S HN 0.216 nan 8.310 nan 0.000 0.456 250 K N -0.213 120.102 120.400 -0.142 0.000 2.393 250 K HA 0.312 4.842 4.320 0.349 0.000 0.193 250 K C 0.710 176.813 176.600 -0.828 0.000 1.026 250 K CA 0.217 56.234 56.287 -0.450 0.000 1.064 250 K CB -0.058 32.172 32.500 -0.450 0.000 0.833 250 K HN 0.519 nan 8.250 nan 0.000 0.521 251 F N 0.430 120.283 119.950 -0.163 0.000 2.532 251 F HA 0.031 4.768 4.527 0.349 0.000 0.276 251 F C 2.194 177.938 175.800 -0.093 0.000 0.911 251 F CA 0.160 58.138 58.000 -0.037 0.000 1.196 251 F CB -0.249 38.767 39.000 0.027 0.000 1.087 251 F HN -0.081 nan 8.300 nan 0.000 0.775 252 D N 0.851 121.298 120.400 0.078 0.000 2.077 252 D HA -0.163 4.687 4.640 0.349 0.000 0.197 252 D C 1.491 177.716 176.300 -0.125 0.000 0.983 252 D CA 1.902 55.881 54.000 -0.036 0.000 0.841 252 D CB -0.430 40.393 40.800 0.040 0.000 0.992 252 D HN 0.057 nan 8.370 nan 0.000 0.450 253 N N 0.540 119.206 118.700 -0.056 0.000 2.137 253 N HA -0.160 4.789 4.740 0.349 0.000 0.190 253 N C 1.667 177.075 175.510 -0.170 0.000 1.017 253 N CA 1.129 54.142 53.050 -0.061 0.000 0.859 253 N CB -0.222 38.224 38.487 -0.068 0.000 1.002 253 N HN 0.371 nan 8.380 nan 0.000 0.428 254 K N -0.556 119.657 120.400 -0.312 0.000 2.056 254 K HA 0.012 4.541 4.320 0.349 0.000 0.205 254 K C 1.320 177.707 176.600 -0.355 0.000 1.035 254 K CA 0.635 56.666 56.287 -0.427 0.000 0.955 254 K CB -0.115 31.971 32.500 -0.690 0.000 0.769 254 K HN 0.062 nan 8.250 nan 0.000 0.447 255 Y N 0.378 120.584 120.300 -0.156 0.000 2.395 255 Y HA 0.116 4.875 4.550 0.349 0.000 0.293 255 Y C 2.280 178.082 175.900 -0.164 0.000 1.123 255 Y CA 0.796 58.829 58.100 -0.111 0.000 1.227 255 Y CB -0.851 37.584 38.460 -0.042 0.000 1.012 255 Y HN 0.250 nan 8.280 nan 0.000 0.552 256 G N -0.560 108.076 108.800 -0.273 0.000 2.421 256 G HA2 -0.226 3.944 3.960 0.349 0.000 0.216 256 G HA3 -0.226 3.944 3.960 0.349 0.000 0.216 256 G C 1.745 176.361 174.900 -0.472 0.000 1.171 256 G CA 1.618 46.240 45.100 -0.796 0.000 0.775 256 G HN 0.320 nan 8.290 nan 0.000 0.543 257 T N 0.160 114.542 114.554 -0.287 0.000 2.833 257 T HA -0.089 4.470 4.350 0.349 0.000 0.269 257 T C 2.284 177.006 174.700 0.036 0.000 1.054 257 T CA 1.260 63.376 62.100 0.027 0.000 1.135 257 T CB -0.093 68.788 68.868 0.022 0.000 0.869 257 T HN 0.361 nan 8.240 nan 0.000 0.466 258 R N 0.043 120.556 120.500 0.022 0.000 2.096 258 R HA -0.148 4.401 4.340 0.349 0.000 0.235 258 R C 2.408 178.752 176.300 0.073 0.000 1.127 258 R CA 1.291 57.426 56.100 0.058 0.000 0.968 258 R CB -0.335 30.030 30.300 0.108 0.000 0.861 258 R HN 0.477 nan 8.270 nan 0.000 0.440 259 H N 0.212 119.294 119.070 0.021 0.000 2.276 259 H HA -0.040 4.726 4.556 0.350 0.000 0.301 259 H C 1.902 177.264 175.328 0.056 0.000 1.073 259 H CA 2.174 58.243 56.048 0.035 0.000 1.311 259 H CB -0.024 29.758 29.762 0.034 0.000 1.379 259 H HN 0.373 nan 8.280 nan 0.000 0.494 260 S N 0.659 116.532 115.700 0.288 0.000 2.489 260 S HA -0.071 4.608 4.470 0.349 0.000 0.228 260 S C 2.232 176.907 174.600 0.125 0.000 0.995 260 S CA 0.646 59.003 58.200 0.262 0.000 0.934 260 S CB -0.389 63.021 63.200 0.349 0.000 0.771 260 S HN 0.282 nan 8.310 nan 0.000 0.522 261 L N 2.559 123.834 121.223 0.086 0.000 2.017 261 L HA 0.052 4.602 4.340 0.349 0.000 0.208 261 L C 2.141 179.023 176.870 0.021 0.000 1.073 261 L CA 1.831 56.699 54.840 0.046 0.000 0.745 261 L CB -0.674 41.401 42.059 0.027 0.000 0.894 261 L HN 0.511 nan 8.230 nan 0.000 0.432 262 I N -2.957 117.610 120.570 -0.004 0.000 2.500 262 I HA -0.060 4.320 4.170 0.349 0.000 0.252 262 I C 2.019 178.123 176.117 -0.022 0.000 1.142 262 I CA 1.503 62.791 61.300 -0.020 0.000 1.451 262 I CB -0.784 37.193 38.000 -0.039 0.000 1.093 262 I HN 0.190 nan 8.210 nan 0.000 0.430 263 D N 1.510 121.891 120.400 -0.030 0.000 2.092 263 D HA -0.155 4.695 4.640 0.349 0.000 0.193 263 D C 2.293 178.608 176.300 0.024 0.000 0.994 263 D CA 2.033 56.032 54.000 -0.002 0.000 0.828 263 D CB -0.616 40.206 40.800 0.037 0.000 0.963 263 D HN 0.443 nan 8.370 nan 0.000 0.450 264 G N 0.519 109.340 108.800 0.035 0.000 2.446 264 G HA2 -0.225 3.945 3.960 0.349 0.000 0.217 264 G HA3 -0.225 3.945 3.960 0.349 0.000 0.217 264 G C 1.949 176.861 174.900 0.021 0.000 1.168 264 G CA 0.917 46.036 45.100 0.032 0.000 0.771 264 G HN 0.388 nan 8.290 nan 0.000 0.551 265 I N 0.865 121.445 120.570 0.017 0.000 2.252 265 I HA -0.168 4.212 4.170 0.349 0.000 0.245 265 I C 2.566 178.691 176.117 0.013 0.000 1.102 265 I CA 0.808 62.116 61.300 0.014 0.000 1.385 265 I CB -0.356 37.651 38.000 0.012 0.000 1.064 265 I HN 0.065 nan 8.210 nan 0.000 0.414 266 N N 1.264 119.969 118.700 0.008 0.000 2.037 266 N HA -0.198 4.751 4.740 0.349 0.000 0.196 266 N C 1.925 177.442 175.510 0.012 0.000 1.034 266 N CA 1.575 54.630 53.050 0.008 0.000 0.861 266 N CB -0.339 38.148 38.487 0.001 0.000 1.039 266 N HN 0.397 nan 8.380 nan 0.000 0.427 267 R N -0.257 120.252 120.500 0.015 0.000 2.080 267 R HA 0.089 4.639 4.340 0.349 0.000 0.222 267 R C 2.379 178.685 176.300 0.011 0.000 1.107 267 R CA 0.960 57.069 56.100 0.016 0.000 0.980 267 R CB -0.736 29.577 30.300 0.023 0.000 0.879 267 R HN 0.226 nan 8.270 nan 0.000 0.439 268 G N 0.910 109.716 108.800 0.009 0.000 2.514 268 G HA2 -0.346 3.824 3.960 0.349 0.000 0.217 268 G HA3 -0.346 3.824 3.960 0.349 0.000 0.217 268 G C 1.557 176.463 174.900 0.011 0.000 1.198 268 G CA 1.925 47.028 45.100 0.005 0.000 0.780 268 G HN 0.496 nan 8.290 nan 0.000 0.565 269 T N -4.458 110.106 114.554 0.017 0.000 2.964 269 T HA 0.160 4.720 4.350 0.349 0.000 0.249 269 T C 1.055 175.769 174.700 0.024 0.000 1.000 269 T CA 0.965 63.080 62.100 0.025 0.000 0.992 269 T CB 0.317 69.204 68.868 0.032 0.000 1.087 269 T HN 0.212 nan 8.240 nan 0.000 0.489 270 D N 1.620 122.031 120.400 0.018 0.000 3.039 270 D HA -0.141 4.708 4.640 0.349 0.000 0.222 270 D C 0.321 176.631 176.300 0.017 0.000 1.179 270 D CA 0.971 54.980 54.000 0.015 0.000 0.880 270 D CB -1.469 39.339 40.800 0.014 0.000 1.115 270 D HN 0.847 nan 8.370 nan 0.000 0.416 271 A N 0.435 123.268 122.820 0.021 0.000 2.409 271 A HA 0.394 4.923 4.320 0.349 0.000 0.262 271 A C 0.524 178.118 177.584 0.017 0.000 1.113 271 A CA -0.417 51.634 52.037 0.024 0.000 0.790 271 A CB 0.568 19.587 19.000 0.032 0.000 1.046 271 A HN 0.268 nan 8.150 nan 0.000 0.496 272 L N 3.030 124.262 121.223 0.015 0.000 2.615 272 L HA -0.011 4.539 4.340 0.349 0.000 0.284 272 L C 0.798 177.677 176.870 0.014 0.000 1.237 272 L CA 0.893 55.741 54.840 0.012 0.000 0.905 272 L CB -0.045 42.021 42.059 0.011 0.000 1.149 272 L HN 0.736 nan 8.230 nan 0.000 0.499 273 I N 3.255 123.832 120.570 0.012 0.000 2.685 273 I HA 0.152 4.531 4.170 0.349 0.000 0.251 273 I C 1.430 177.557 176.117 0.015 0.000 1.102 273 I CA 0.481 61.788 61.300 0.012 0.000 1.442 273 I CB -0.679 37.327 38.000 0.009 0.000 1.194 273 I HN 0.859 nan 8.210 nan 0.000 0.448 274 G N 0.800 109.609 108.800 0.015 0.000 2.134 274 G HA2 0.157 4.327 3.960 0.349 0.000 0.253 274 G HA3 0.157 4.327 3.960 0.349 0.000 0.253 274 G C 1.131 176.042 174.900 0.017 0.000 0.960 274 G CA 0.571 45.681 45.100 0.017 0.000 0.922 274 G HN 0.802 nan 8.290 nan 0.000 0.394 275 G N 1.693 110.505 108.800 0.020 0.000 2.225 275 G HA2 -0.260 3.909 3.960 0.349 0.000 0.254 275 G HA3 -0.260 3.909 3.960 0.349 0.000 0.254 275 G C 0.621 175.532 174.900 0.018 0.000 0.988 275 G CA 0.767 45.878 45.100 0.018 0.000 0.625 275 G HN 0.821 nan 8.290 nan 0.000 0.527 276 K N 0.739 121.150 120.400 0.019 0.000 2.098 276 K HA 0.492 5.021 4.320 0.349 0.000 0.261 276 K C 0.441 177.052 176.600 0.018 0.000 0.987 276 K CA -0.658 55.640 56.287 0.018 0.000 0.916 276 K CB 0.936 33.447 32.500 0.018 0.000 1.039 276 K HN 0.106 nan 8.250 nan 0.000 0.455 277 K N 1.589 121.998 120.400 0.015 0.000 2.322 277 K HA 0.248 4.777 4.320 0.349 0.000 0.283 277 K C -0.548 176.054 176.600 0.004 0.000 1.042 277 K CA -0.364 55.930 56.287 0.012 0.000 0.958 277 K CB 0.818 33.323 32.500 0.009 0.000 0.984 277 K HN 0.235 nan 8.250 nan 0.000 0.473 278 V N 4.685 124.596 119.914 -0.005 0.000 2.588 278 V HA 0.344 4.674 4.120 0.349 0.000 0.304 278 V C -0.880 175.188 176.094 -0.042 0.000 1.042 278 V CA -1.091 61.197 62.300 -0.021 0.000 0.877 278 V CB 1.845 33.653 31.823 -0.024 0.000 0.996 278 V HN 0.527 nan 8.190 nan 0.000 0.425 279 L N 6.251 127.447 121.223 -0.044 0.000 2.319 279 L HA 0.660 5.209 4.340 0.349 0.000 0.281 279 L C -0.865 175.969 176.870 -0.060 0.000 1.005 279 L CA -0.099 54.707 54.840 -0.056 0.000 0.828 279 L CB 1.249 43.279 42.059 -0.048 0.000 1.227 279 L HN 0.425 nan 8.230 nan 0.000 0.415 280 I N 4.397 124.921 120.570 -0.077 0.000 2.354 280 I HA 0.319 4.698 4.170 0.349 0.000 0.292 280 I C -0.355 175.738 176.117 -0.039 0.000 0.989 280 I CA -0.455 60.810 61.300 -0.059 0.000 1.188 280 I CB 1.194 39.150 38.000 -0.073 0.000 1.342 280 I HN 0.558 nan 8.210 nan 0.000 0.457 281 C N 4.576 123.859 119.300 -0.028 0.000 2.285 281 C HA 0.822 5.492 4.460 0.349 0.000 0.335 281 C C 0.783 175.774 174.990 0.001 0.000 1.267 281 C CA -0.384 58.622 59.018 -0.020 0.000 1.762 281 C CB -0.015 27.707 27.740 -0.030 0.000 2.365 281 C HN 1.099 nan 8.230 nan 0.000 0.527 282 G N 1.965 110.779 108.800 0.024 0.000 2.788 282 G HA2 -0.035 4.135 3.960 0.349 0.000 0.686 282 G HA3 -0.035 4.135 3.960 0.349 0.000 0.686 282 G C -1.206 173.760 174.900 0.110 0.000 1.147 282 G CA -0.560 44.567 45.100 0.045 0.000 0.755 282 G HN 0.949 nan 8.290 nan 0.000 0.634 283 Y N 1.913 122.191 120.300 -0.037 0.000 2.810 283 Y HA 0.507 5.267 4.550 0.350 0.000 0.255 283 Y C 1.144 177.027 175.900 -0.028 0.000 0.979 283 Y CA 0.497 58.576 58.100 -0.035 0.000 1.106 283 Y CB 0.074 38.525 38.460 -0.016 0.000 1.209 283 Y HN 1.050 nan 8.280 nan 0.000 0.646 284 G N 0.022 108.761 108.800 -0.101 0.000 2.531 284 G HA2 0.051 4.220 3.960 0.349 0.000 0.253 284 G HA3 0.051 4.220 3.960 0.349 0.000 0.253 284 G C 0.519 175.264 174.900 -0.257 0.000 1.439 284 G CA 0.105 45.120 45.100 -0.142 0.000 1.056 284 G HN 0.205 nan 8.290 nan 0.000 0.555 285 D N -0.978 119.302 120.400 -0.200 0.000 2.104 285 D HA -0.138 4.711 4.640 0.349 0.000 0.194 285 D C 2.750 178.915 176.300 -0.225 0.000 0.994 285 D CA 1.056 54.914 54.000 -0.236 0.000 0.830 285 D CB -0.462 40.225 40.800 -0.189 0.000 0.959 285 D HN 0.052 nan 8.370 nan 0.000 0.452 286 V N 1.019 120.843 119.914 -0.149 0.000 2.237 286 V HA -0.181 4.148 4.120 0.349 0.000 0.245 286 V C 2.570 178.585 176.094 -0.131 0.000 1.046 286 V CA 2.216 64.452 62.300 -0.106 0.000 1.007 286 V CB -1.087 30.708 31.823 -0.046 0.000 0.638 286 V HN 0.270 nan 8.190 nan 0.000 0.445 287 G N -0.951 107.762 108.800 -0.144 0.000 2.443 287 G HA2 -0.204 3.965 3.960 0.349 0.000 0.219 287 G HA3 -0.204 3.965 3.960 0.349 0.000 0.219 287 G C 1.637 176.373 174.900 -0.274 0.000 1.131 287 G CA 0.620 45.637 45.100 -0.138 0.000 0.775 287 G HN 0.469 nan 8.290 nan 0.000 0.547 288 K N 0.090 120.163 120.400 -0.545 0.000 2.063 288 K HA -0.063 4.466 4.320 0.349 0.000 0.208 288 K C 2.726 179.173 176.600 -0.255 0.000 1.048 288 K CA 1.093 56.989 56.287 -0.653 0.000 0.928 288 K CB -0.334 31.774 32.500 -0.654 0.000 0.713 288 K HN 0.271 nan 8.250 nan 0.000 0.442 289 G N 0.779 109.452 108.800 -0.213 0.000 2.404 289 G HA2 -0.257 3.912 3.960 0.349 0.000 0.215 289 G HA3 -0.257 3.912 3.960 0.349 0.000 0.215 289 G C 1.636 176.503 174.900 -0.055 0.000 1.174 289 G CA 0.959 45.991 45.100 -0.115 0.000 0.780 289 G HN 0.320 nan 8.290 nan 0.000 0.537 290 C N 0.994 120.252 119.300 -0.068 0.000 2.388 290 C HA 0.009 4.678 4.460 0.349 0.000 0.277 290 C C 3.570 178.522 174.990 -0.062 0.000 1.210 290 C CA 1.267 60.255 59.018 -0.051 0.000 1.743 290 C CB -1.079 26.626 27.740 -0.058 0.000 2.047 290 C HN 0.575 nan 8.230 nan 0.000 0.458 291 A N -0.012 122.744 122.820 -0.106 0.000 1.883 291 A HA -0.259 4.270 4.320 0.349 0.000 0.217 291 A C 2.068 179.650 177.584 -0.002 0.000 1.186 291 A CA 2.130 54.035 52.037 -0.219 0.000 0.624 291 A CB -0.796 17.930 19.000 -0.457 0.000 0.822 291 A HN 0.747 nan 8.150 nan 0.000 0.444 292 E N -0.177 120.080 120.200 0.095 0.000 2.058 292 E HA -0.171 4.389 4.350 0.349 0.000 0.194 292 E C 2.106 178.771 176.600 0.108 0.000 0.997 292 E CA 1.406 57.903 56.400 0.163 0.000 0.801 292 E CB -0.303 29.474 29.700 0.128 0.000 0.746 292 E HN 0.538 nan 8.360 nan 0.000 0.450 293 A N 0.646 123.499 122.820 0.055 0.000 1.898 293 A HA -0.161 4.369 4.320 0.349 0.000 0.216 293 A C 2.190 179.792 177.584 0.030 0.000 1.181 293 A CA 1.579 53.638 52.037 0.036 0.000 0.620 293 A CB -0.392 18.618 19.000 0.015 0.000 0.819 293 A HN 0.286 nan 8.150 nan 0.000 0.442 294 M N -0.230 119.380 119.600 0.017 0.000 2.117 294 M HA -0.123 4.567 4.480 0.349 0.000 0.262 294 M C 2.109 178.442 176.300 0.054 0.000 1.065 294 M CA 1.836 57.145 55.300 0.015 0.000 1.114 294 M CB -1.138 31.448 32.600 -0.023 0.000 1.361 294 M HN 0.531 nan 8.290 nan 0.000 0.408 295 K N -0.027 120.438 120.400 0.109 0.000 2.032 295 K HA -0.135 4.395 4.320 0.349 0.000 0.209 295 K C 1.963 178.625 176.600 0.103 0.000 1.048 295 K CA 1.693 58.080 56.287 0.166 0.000 0.927 295 K CB -0.453 32.233 32.500 0.311 0.000 0.712 295 K HN 0.409 nan 8.250 nan 0.000 0.441 296 G N 0.579 109.431 108.800 0.087 0.000 2.462 296 G HA2 -0.226 3.944 3.960 0.349 0.000 0.220 296 G HA3 -0.226 3.944 3.960 0.349 0.000 0.220 296 G C 1.248 176.170 174.900 0.036 0.000 1.121 296 G CA 0.359 45.492 45.100 0.055 0.000 0.758 296 G HN 0.342 nan 8.290 nan 0.000 0.559 297 Q N -0.163 119.657 119.800 0.033 0.000 2.365 297 Q HA 0.179 4.728 4.340 0.349 0.000 0.203 297 Q C 1.643 177.659 176.000 0.026 0.000 0.929 297 Q CA 0.564 56.380 55.803 0.021 0.000 0.948 297 Q CB 0.386 29.131 28.738 0.013 0.000 1.043 297 Q HN 0.557 nan 8.270 nan 0.000 0.505 298 G N 0.482 109.304 108.800 0.037 0.000 2.141 298 G HA2 -0.268 3.901 3.960 0.349 0.000 0.242 298 G HA3 -0.268 3.901 3.960 0.349 0.000 0.242 298 G C 0.332 175.256 174.900 0.039 0.000 0.982 298 G CA 0.139 45.260 45.100 0.035 0.000 0.662 298 G HN 0.552 nan 8.290 nan 0.000 0.527 299 A N -0.213 122.635 122.820 0.046 0.000 2.366 299 A HA 0.729 5.258 4.320 0.349 0.000 0.249 299 A C 0.786 178.408 177.584 0.063 0.000 1.084 299 A CA -0.034 52.029 52.037 0.044 0.000 0.794 299 A CB 0.323 19.342 19.000 0.033 0.000 1.034 299 A HN 0.493 nan 8.150 nan 0.000 0.491 300 R N 1.170 121.701 120.500 0.052 0.000 2.391 300 R HA 0.370 4.919 4.340 0.349 0.000 0.310 300 R C -1.125 175.211 176.300 0.060 0.000 1.174 300 R CA -0.309 55.830 56.100 0.064 0.000 1.118 300 R CB 0.658 30.984 30.300 0.043 0.000 1.134 300 R HN 0.443 nan 8.270 nan 0.000 0.524 301 V N 2.159 122.133 119.914 0.099 0.000 2.546 301 V HA 0.227 4.557 4.120 0.349 0.000 0.284 301 V C 0.347 176.459 176.094 0.030 0.000 1.050 301 V CA -0.103 62.206 62.300 0.015 0.000 0.981 301 V CB 1.559 33.302 31.823 -0.135 0.000 0.990 301 V HN 0.661 nan 8.190 nan 0.000 0.474 302 S N 2.867 118.538 115.700 -0.048 0.000 2.634 302 S HA 0.817 5.496 4.470 0.349 0.000 0.296 302 S C -0.731 173.805 174.600 -0.106 0.000 1.104 302 S CA -0.624 57.553 58.200 -0.040 0.000 0.920 302 S CB 2.242 65.433 63.200 -0.015 0.000 1.111 302 S HN 0.441 nan 8.310 nan 0.000 0.493 303 V N 1.767 121.626 119.914 -0.092 0.000 2.789 303 V HA 0.719 5.048 4.120 0.349 0.000 0.311 303 V C 0.026 176.080 176.094 -0.066 0.000 1.073 303 V CA -0.676 61.562 62.300 -0.103 0.000 0.921 303 V CB 2.260 33.972 31.823 -0.185 0.000 1.009 303 V HN 1.076 nan 8.190 nan 0.000 0.426 304 T N 0.808 115.335 114.554 -0.045 0.000 2.940 304 T HA 0.880 5.440 4.350 0.349 0.000 0.288 304 T C -0.877 173.818 174.700 -0.009 0.000 1.033 304 T CA -0.554 61.525 62.100 -0.035 0.000 1.033 304 T CB 2.436 71.278 68.868 -0.044 0.000 1.079 304 T HN 0.611 nan 8.240 nan 0.000 0.496 305 E N 0.195 120.391 120.200 -0.007 0.000 2.388 305 E HA 0.240 4.799 4.350 0.349 0.000 0.281 305 E C 0.439 177.041 176.600 0.003 0.000 1.046 305 E CA -0.501 55.907 56.400 0.013 0.000 0.825 305 E CB 1.780 31.495 29.700 0.026 0.000 1.243 305 E HN 0.834 nan 8.360 nan 0.000 0.438 306 I N -2.433 118.142 120.570 0.009 0.000 3.228 306 I HA 0.303 4.682 4.170 0.349 0.000 0.279 306 I C 0.684 176.806 176.117 0.008 0.000 1.221 306 I CA 0.169 61.472 61.300 0.005 0.000 1.458 306 I CB 0.435 38.438 38.000 0.005 0.000 1.105 306 I HN 0.073 nan 8.210 nan 0.000 0.445 307 D N 3.458 123.868 120.400 0.016 0.000 2.359 307 D HA 0.204 5.053 4.640 0.349 0.000 0.230 307 D C -1.510 174.801 176.300 0.019 0.000 1.118 307 D CA -2.308 51.703 54.000 0.019 0.000 0.844 307 D CB 1.717 42.533 40.800 0.027 0.000 1.059 307 D HN 0.039 nan 8.370 nan 0.000 0.493 308 P HA -0.132 nan 4.420 nan 0.000 0.218 308 P C 1.846 179.153 177.300 0.012 0.000 1.148 308 P CA 0.732 63.836 63.100 0.006 0.000 0.822 308 P CB 0.620 32.321 31.700 0.001 0.000 0.784 309 I N 0.557 121.138 120.570 0.019 0.000 2.099 309 I HA -0.276 4.104 4.170 0.349 0.000 0.239 309 I C 2.497 178.645 176.117 0.050 0.000 1.066 309 I CA 1.627 62.943 61.300 0.027 0.000 1.324 309 I CB -1.017 36.997 38.000 0.024 0.000 1.037 309 I HN -0.040 nan 8.210 nan 0.000 0.401 310 N N 1.070 119.813 118.700 0.072 0.000 2.104 310 N HA -0.207 4.743 4.740 0.349 0.000 0.190 310 N C 1.975 177.556 175.510 0.118 0.000 1.024 310 N CA 1.593 54.730 53.050 0.146 0.000 0.853 310 N CB -0.276 38.306 38.487 0.158 0.000 1.008 310 N HN 0.398 nan 8.380 nan 0.000 0.424 311 A N 1.720 124.561 122.820 0.034 0.000 1.908 311 A HA -0.131 4.399 4.320 0.349 0.000 0.218 311 A C 2.236 179.787 177.584 -0.055 0.000 1.181 311 A CA 1.007 53.022 52.037 -0.038 0.000 0.627 311 A CB -0.702 18.283 19.000 -0.026 0.000 0.818 311 A HN 0.204 nan 8.150 nan 0.000 0.445 312 L N 0.097 121.309 121.223 -0.019 0.000 2.046 312 L HA -0.221 4.328 4.340 0.349 0.000 0.208 312 L C 2.520 179.379 176.870 -0.018 0.000 1.077 312 L CA 2.349 57.177 54.840 -0.020 0.000 0.747 312 L CB -0.887 41.169 42.059 -0.005 0.000 0.896 312 L HN 0.541 nan 8.230 nan 0.000 0.432 313 Q N -0.634 119.180 119.800 0.024 0.000 2.077 313 Q HA -0.263 4.287 4.340 0.349 0.000 0.206 313 Q C 2.242 178.240 176.000 -0.002 0.000 0.989 313 Q CA 1.963 57.813 55.803 0.079 0.000 0.853 313 Q CB -0.524 28.351 28.738 0.228 0.000 0.907 313 Q HN 0.694 nan 8.270 nan 0.000 0.418 314 A N 1.057 123.713 122.820 -0.274 0.000 1.877 314 A HA -0.200 4.329 4.320 0.349 0.000 0.216 314 A C 2.138 179.627 177.584 -0.157 0.000 1.186 314 A CA 1.615 53.364 52.037 -0.480 0.000 0.620 314 A CB -0.582 17.930 19.000 -0.814 0.000 0.822 314 A HN 0.293 nan 8.150 nan 0.000 0.443 315 M N -1.191 118.334 119.600 -0.126 0.000 2.080 315 M HA -0.190 4.499 4.480 0.349 0.000 0.260 315 M C 2.197 178.432 176.300 -0.107 0.000 1.068 315 M CA 1.465 56.710 55.300 -0.091 0.000 1.109 315 M CB -0.633 31.929 32.600 -0.064 0.000 1.342 315 M HN 0.294 nan 8.290 nan 0.000 0.405 316 M N -0.052 119.498 119.600 -0.083 0.000 2.337 316 M HA -0.172 4.518 4.480 0.349 0.000 0.261 316 M C 1.311 177.539 176.300 -0.120 0.000 1.067 316 M CA 1.583 56.838 55.300 -0.076 0.000 1.074 316 M CB -1.302 31.277 32.600 -0.034 0.000 1.395 316 M HN 0.217 nan 8.290 nan 0.000 0.431 317 E N -0.759 119.331 120.200 -0.182 0.000 2.489 317 E HA 0.222 4.782 4.350 0.349 0.000 0.193 317 E C 1.119 177.293 176.600 -0.709 0.000 1.057 317 E CA 0.565 56.760 56.400 -0.343 0.000 0.866 317 E CB -0.012 29.561 29.700 -0.212 0.000 0.916 317 E HN 0.611 nan 8.360 nan 0.000 0.500 318 G N -0.041 108.444 108.800 -0.525 0.000 2.144 318 G HA2 -0.227 3.943 3.960 0.349 0.000 0.218 318 G HA3 -0.227 3.943 3.960 0.349 0.000 0.218 318 G C -0.283 174.364 174.900 -0.423 0.000 0.988 318 G CA -0.379 44.442 45.100 -0.464 0.000 0.659 318 G HN 0.123 nan 8.290 nan 0.000 0.522 319 F N 1.651 121.557 119.950 -0.073 0.000 2.421 319 F HA 0.546 5.282 4.527 0.349 0.000 0.337 319 F C 0.392 176.135 175.800 -0.096 0.000 1.105 319 F CA -1.972 55.976 58.000 -0.087 0.000 1.049 319 F CB 0.960 39.883 39.000 -0.128 0.000 1.139 319 F HN -0.138 nan 8.300 nan 0.000 0.479 320 D N 1.807 122.278 120.400 0.119 0.000 2.424 320 D HA 0.180 5.029 4.640 0.349 0.000 0.244 320 D C -0.341 175.966 176.300 0.011 0.000 1.134 320 D CA 0.212 54.235 54.000 0.038 0.000 0.881 320 D CB 1.336 42.151 40.800 0.025 0.000 1.191 320 D HN 0.109 nan 8.370 nan 0.000 0.445 321 V N 3.550 123.453 119.914 -0.019 0.000 2.364 321 V HA 0.368 4.697 4.120 0.349 0.000 0.272 321 V C 0.472 176.548 176.094 -0.030 0.000 1.036 321 V CA -0.450 61.826 62.300 -0.039 0.000 0.880 321 V CB 1.104 32.895 31.823 -0.053 0.000 0.991 321 V HN 0.406 nan 8.190 nan 0.000 0.460 322 V N 2.041 121.935 119.914 -0.034 0.000 3.181 322 V HA 0.865 5.194 4.120 0.349 0.000 0.308 322 V C -0.061 176.008 176.094 -0.040 0.000 1.214 322 V CA -0.553 61.727 62.300 -0.032 0.000 1.053 322 V CB 2.112 33.918 31.823 -0.029 0.000 1.069 322 V HN 0.766 nan 8.190 nan 0.000 0.441 323 T N -1.203 113.326 114.554 -0.042 0.000 2.881 323 T HA 0.526 5.086 4.350 0.349 0.000 0.278 323 T C 1.084 175.730 174.700 -0.089 0.000 0.982 323 T CA 0.121 62.187 62.100 -0.057 0.000 0.989 323 T CB 1.461 70.304 68.868 -0.042 0.000 1.058 323 T HN 0.804 nan 8.240 nan 0.000 0.529 324 V N 1.427 121.254 119.914 -0.145 0.000 2.282 324 V HA -0.175 4.154 4.120 0.349 0.000 0.249 324 V C 2.769 178.751 176.094 -0.188 0.000 1.057 324 V CA 2.259 64.413 62.300 -0.243 0.000 1.032 324 V CB -1.181 30.336 31.823 -0.509 0.000 0.645 324 V HN 0.911 nan 8.190 nan 0.000 0.447 325 E N 0.602 120.726 120.200 -0.127 0.000 2.097 325 E HA -0.255 4.304 4.350 0.349 0.000 0.196 325 E C 2.199 178.786 176.600 -0.021 0.000 1.000 325 E CA 1.830 58.214 56.400 -0.026 0.000 0.804 325 E CB -0.307 29.406 29.700 0.022 0.000 0.740 325 E HN 0.897 nan 8.360 nan 0.000 0.454 326 E N -0.311 119.871 120.200 -0.031 0.000 2.299 326 E HA 0.050 4.609 4.350 0.349 0.000 0.193 326 E C 1.780 178.365 176.600 -0.024 0.000 0.998 326 E CA 0.920 57.308 56.400 -0.021 0.000 0.851 326 E CB 0.080 29.769 29.700 -0.019 0.000 0.795 326 E HN 0.225 nan 8.360 nan 0.000 0.492 327 A N 1.222 124.019 122.820 -0.039 0.000 1.963 327 A HA 0.128 4.658 4.320 0.349 0.000 0.207 327 A C 2.088 179.650 177.584 -0.035 0.000 1.243 327 A CA 0.096 52.111 52.037 -0.037 0.000 0.728 327 A CB -0.289 18.683 19.000 -0.048 0.000 0.895 327 A HN 0.183 nan 8.150 nan 0.000 0.467 328 I N 1.014 121.553 120.570 -0.051 0.000 2.185 328 I HA -0.233 4.147 4.170 0.349 0.000 0.246 328 I C 2.094 178.201 176.117 -0.016 0.000 1.088 328 I CA 1.883 63.157 61.300 -0.043 0.000 1.347 328 I CB -0.379 37.586 38.000 -0.059 0.000 1.041 328 I HN 0.231 nan 8.210 nan 0.000 0.415 329 G N -1.437 107.358 108.800 -0.010 0.000 2.848 329 G HA2 -0.164 4.006 3.960 0.349 0.000 0.208 329 G HA3 -0.164 4.006 3.960 0.349 0.000 0.208 329 G C 1.144 176.045 174.900 0.001 0.000 1.152 329 G CA 0.837 45.935 45.100 -0.003 0.000 0.789 329 G HN 0.423 nan 8.290 nan 0.000 0.531 330 D N -0.652 119.748 120.400 -0.001 0.000 2.479 330 D HA 0.308 5.157 4.640 0.349 0.000 0.221 330 D C 1.383 177.686 176.300 0.005 0.000 1.104 330 D CA -0.070 53.932 54.000 0.003 0.000 0.849 330 D CB 0.416 41.216 40.800 0.000 0.000 1.072 330 D HN 0.187 nan 8.370 nan 0.000 0.502 331 A N 0.702 123.522 122.820 0.001 0.000 2.477 331 A HA 0.152 4.682 4.320 0.349 0.000 0.246 331 A C 0.864 178.456 177.584 0.013 0.000 1.078 331 A CA 0.088 52.125 52.037 0.001 0.000 0.770 331 A CB 0.375 19.369 19.000 -0.010 0.000 1.011 331 A HN 0.051 nan 8.150 nan 0.000 0.494 332 D N 0.993 121.402 120.400 0.016 0.000 2.271 332 D HA 0.148 4.998 4.640 0.349 0.000 0.206 332 D C 0.233 176.549 176.300 0.027 0.000 0.967 332 D CA 1.309 55.325 54.000 0.026 0.000 0.867 332 D CB 0.241 41.056 40.800 0.025 0.000 0.960 332 D HN 0.575 nan 8.370 nan 0.000 0.509 333 I N 0.591 121.170 120.570 0.015 0.000 2.686 333 I HA 0.278 4.657 4.170 0.349 0.000 0.295 333 I C -1.019 175.097 176.117 -0.000 0.000 1.114 333 I CA -0.860 60.447 61.300 0.012 0.000 1.038 333 I CB 3.212 41.218 38.000 0.010 0.000 1.238 333 I HN -0.419 nan 8.210 nan 0.000 0.420 334 V N 5.950 125.865 119.914 0.000 0.000 2.623 334 V HA 0.523 4.853 4.120 0.349 0.000 0.304 334 V C -0.614 175.475 176.094 -0.008 0.000 1.054 334 V CA -0.632 61.662 62.300 -0.011 0.000 0.882 334 V CB 2.433 34.249 31.823 -0.012 0.000 1.002 334 V HN 0.429 nan 8.190 nan 0.000 0.424 335 V N 3.296 123.200 119.914 -0.016 0.000 2.638 335 V HA 0.591 4.920 4.120 0.349 0.000 0.306 335 V C 0.089 176.174 176.094 -0.014 0.000 1.052 335 V CA -0.549 61.744 62.300 -0.011 0.000 0.885 335 V CB 2.511 34.326 31.823 -0.013 0.000 0.999 335 V HN 0.996 nan 8.190 nan 0.000 0.424 336 T N 1.214 115.765 114.554 -0.006 0.000 2.767 336 T HA 0.752 5.312 4.350 0.349 0.000 0.284 336 T C 0.094 174.792 174.700 -0.004 0.000 0.973 336 T CA -0.088 62.008 62.100 -0.006 0.000 0.996 336 T CB 1.705 70.573 68.868 0.000 0.000 0.927 336 T HN 1.064 nan 8.240 nan 0.000 0.456 337 A N 2.562 125.378 122.820 -0.008 0.000 2.992 337 A HA 0.492 5.022 4.320 0.349 0.000 0.263 337 A C 1.277 178.854 177.584 -0.012 0.000 0.928 337 A CA -0.066 51.964 52.037 -0.011 0.000 1.061 337 A CB -0.198 18.789 19.000 -0.022 0.000 1.173 337 A HN 1.003 nan 8.150 nan 0.000 0.482 338 T N -4.808 109.743 114.554 -0.006 0.000 2.990 338 T HA 0.377 4.937 4.350 0.349 0.000 0.249 338 T C 1.561 176.258 174.700 -0.005 0.000 1.039 338 T CA 1.106 63.204 62.100 -0.003 0.000 1.036 338 T CB 0.007 68.876 68.868 0.002 0.000 0.994 338 T HN 1.777 nan 8.240 nan 0.000 0.489 339 G N 1.768 110.562 108.800 -0.010 0.000 2.187 339 G HA2 -0.269 3.900 3.960 0.349 0.000 0.261 339 G HA3 -0.269 3.900 3.960 0.349 0.000 0.261 339 G C -0.017 174.885 174.900 0.004 0.000 1.000 339 G CA 0.450 45.540 45.100 -0.016 0.000 0.718 339 G HN 0.821 nan 8.290 nan 0.000 0.519 340 N N -0.093 118.615 118.700 0.013 0.000 2.545 340 N HA 0.652 5.601 4.740 0.349 0.000 0.289 340 N C -0.019 175.508 175.510 0.029 0.000 1.279 340 N CA -0.494 52.568 53.050 0.020 0.000 0.824 340 N CB 1.259 39.753 38.487 0.011 0.000 1.395 340 N HN 0.528 nan 8.380 nan 0.000 0.526 341 K N -0.333 120.082 120.400 0.025 0.000 2.166 341 K HA 0.497 5.026 4.320 0.349 0.000 0.245 341 K C -1.057 175.553 176.600 0.018 0.000 0.967 341 K CA -0.421 55.880 56.287 0.024 0.000 0.863 341 K CB 0.918 33.426 32.500 0.013 0.000 1.107 341 K HN 0.400 nan 8.250 nan 0.000 0.436 342 D N 0.958 121.370 120.400 0.020 0.000 2.775 342 D HA -0.123 4.727 4.640 0.349 0.000 0.235 342 D C 0.455 176.787 176.300 0.053 0.000 1.120 342 D CA 0.472 54.489 54.000 0.028 0.000 0.708 342 D CB -0.803 40.007 40.800 0.016 0.000 1.084 342 D HN 0.508 nan 8.370 nan 0.000 0.434 343 I N -0.536 120.062 120.570 0.047 0.000 2.385 343 I HA -0.007 4.372 4.170 0.349 0.000 0.244 343 I C 1.354 177.510 176.117 0.065 0.000 1.089 343 I CA 0.839 62.160 61.300 0.035 0.000 1.410 343 I CB -0.084 37.920 38.000 0.006 0.000 1.117 343 I HN 0.094 nan 8.210 nan 0.000 0.429 344 I N 2.927 123.552 120.570 0.093 0.000 2.371 344 I HA 0.280 4.659 4.170 0.349 0.000 0.282 344 I C -0.051 176.177 176.117 0.184 0.000 1.031 344 I CA -0.495 60.907 61.300 0.171 0.000 1.180 344 I CB 0.936 38.972 38.000 0.060 0.000 1.336 344 I HN -0.005 nan 8.210 nan 0.000 0.467 345 M N 4.400 124.173 119.600 0.288 0.000 2.291 345 M HA 0.192 4.881 4.480 0.349 0.000 0.324 345 M C 1.259 177.503 176.300 -0.093 0.000 1.148 345 M CA -0.765 54.515 55.300 -0.033 0.000 1.104 345 M CB 0.958 33.418 32.600 -0.233 0.000 1.483 345 M HN 0.469 nan 8.290 nan 0.000 0.467 346 L N 2.002 123.169 121.223 -0.094 0.000 2.051 346 L HA -0.243 4.306 4.340 0.349 0.000 0.214 346 L C 2.078 178.873 176.870 -0.126 0.000 1.076 346 L CA 2.255 57.051 54.840 -0.073 0.000 0.758 346 L CB -0.723 41.310 42.059 -0.043 0.000 0.890 346 L HN 0.884 nan 8.230 nan 0.000 0.433 347 E N -1.484 118.595 120.200 -0.201 0.000 2.097 347 E HA -0.305 4.255 4.350 0.349 0.000 0.196 347 E C 2.023 178.503 176.600 -0.199 0.000 1.000 347 E CA 1.896 58.156 56.400 -0.234 0.000 0.804 347 E CB -0.221 29.301 29.700 -0.297 0.000 0.740 347 E HN 0.790 nan 8.360 nan 0.000 0.454 348 H N -0.251 118.776 119.070 -0.072 0.000 2.326 348 H HA -0.038 4.727 4.556 0.349 0.000 0.301 348 H C 2.249 177.527 175.328 -0.085 0.000 1.081 348 H CA 1.299 57.307 56.048 -0.067 0.000 1.334 348 H CB 0.002 29.736 29.762 -0.047 0.000 1.385 348 H HN 0.172 nan 8.280 nan 0.000 0.504 349 I N 1.007 121.596 120.570 0.031 0.000 2.315 349 I HA -0.285 4.094 4.170 0.349 0.000 0.251 349 I C 1.976 177.998 176.117 -0.158 0.000 1.125 349 I CA 1.454 62.746 61.300 -0.013 0.000 1.392 349 I CB -0.167 37.852 38.000 0.031 0.000 1.065 349 I HN 0.221 nan 8.210 nan 0.000 0.424 350 K N 0.590 120.793 120.400 -0.327 0.000 2.167 350 K HA 0.015 4.545 4.320 0.349 0.000 0.203 350 K C 2.064 178.471 176.600 -0.322 0.000 1.052 350 K CA 1.095 57.012 56.287 -0.616 0.000 0.956 350 K CB -0.105 32.059 32.500 -0.560 0.000 0.735 350 K HN 0.283 nan 8.250 nan 0.000 0.451 351 A N 0.819 123.540 122.820 -0.165 0.000 2.206 351 A HA 0.053 4.583 4.320 0.349 0.000 0.211 351 A C 0.867 178.423 177.584 -0.046 0.000 1.158 351 A CA 0.286 52.274 52.037 -0.081 0.000 0.761 351 A CB -0.339 18.645 19.000 -0.027 0.000 0.801 351 A HN 0.153 nan 8.150 nan 0.000 0.473 352 M N 0.747 120.322 119.600 -0.041 0.000 2.232 352 M HA 0.162 4.851 4.480 0.349 0.000 0.321 352 M C 0.540 176.848 176.300 0.014 0.000 1.101 352 M CA 0.105 55.404 55.300 -0.001 0.000 1.181 352 M CB 0.531 33.143 32.600 0.019 0.000 1.432 352 M HN 0.372 nan 8.290 nan 0.000 0.457 353 K N 0.219 120.639 120.400 0.032 0.000 2.102 353 K HA 0.256 4.785 4.320 0.349 0.000 0.244 353 K C -0.642 176.009 176.600 0.085 0.000 1.021 353 K CA -0.923 55.393 56.287 0.049 0.000 0.913 353 K CB 0.429 32.955 32.500 0.044 0.000 1.062 353 K HN 0.386 nan 8.250 nan 0.000 0.485 354 D N 1.007 121.472 120.400 0.107 0.000 2.434 354 D HA -0.068 4.782 4.640 0.349 0.000 0.252 354 D C -0.205 176.254 176.300 0.265 0.000 1.185 354 D CA 0.897 55.006 54.000 0.182 0.000 0.886 354 D CB -0.244 40.662 40.800 0.175 0.000 1.148 354 D HN 0.765 nan 8.370 nan 0.000 0.483 355 H N 0.416 119.527 119.070 0.069 0.000 2.958 355 H HA -0.211 4.554 4.556 0.349 0.000 0.274 355 H C 0.128 175.488 175.328 0.054 0.000 1.184 355 H CA 0.441 56.526 56.048 0.062 0.000 1.143 355 H CB -1.523 28.266 29.762 0.046 0.000 1.297 355 H HN 0.499 nan 8.280 nan 0.000 0.356 356 A N 0.940 123.830 122.820 0.116 0.000 2.466 356 A HA 0.453 4.983 4.320 0.349 0.000 0.238 356 A C 0.783 178.406 177.584 0.064 0.000 1.074 356 A CA 0.053 52.137 52.037 0.078 0.000 0.774 356 A CB 0.432 19.466 19.000 0.057 0.000 1.015 356 A HN 0.327 nan 8.150 nan 0.000 0.498 357 I N 1.155 121.757 120.570 0.053 0.000 2.359 357 I HA 0.363 4.743 4.170 0.349 0.000 0.294 357 I C -0.588 175.551 176.117 0.037 0.000 0.987 357 I CA -0.530 60.797 61.300 0.046 0.000 1.225 357 I CB 1.550 39.575 38.000 0.042 0.000 1.366 357 I HN 0.522 nan 8.210 nan 0.000 0.466 358 L N 5.984 127.230 121.223 0.040 0.000 2.356 358 L HA 0.919 5.468 4.340 0.349 0.000 0.277 358 L C -0.309 176.579 176.870 0.030 0.000 0.996 358 L CA 0.114 54.971 54.840 0.030 0.000 0.822 358 L CB 1.570 43.647 42.059 0.030 0.000 1.256 358 L HN 0.659 nan 8.230 nan 0.000 0.413 359 G N 2.610 111.424 108.800 0.022 0.000 2.692 359 G HA2 0.412 4.582 3.960 0.349 0.000 0.291 359 G HA3 0.412 4.582 3.960 0.349 0.000 0.291 359 G C -2.003 172.910 174.900 0.022 0.000 1.423 359 G CA -0.764 44.352 45.100 0.026 0.000 0.843 359 G HN 0.686 nan 8.290 nan 0.000 0.486 360 N N -0.209 118.509 118.700 0.029 0.000 2.372 360 N HA 0.438 5.388 4.740 0.349 0.000 0.285 360 N C -0.054 175.472 175.510 0.026 0.000 1.008 360 N CA -0.798 52.267 53.050 0.026 0.000 0.880 360 N CB 1.851 40.357 38.487 0.032 0.000 1.239 360 N HN 0.346 nan 8.380 nan 0.000 0.484 361 I N 1.689 122.270 120.570 0.018 0.000 4.082 361 I HA 0.432 4.812 4.170 0.349 0.000 0.337 361 I C 0.965 177.092 176.117 0.017 0.000 1.352 361 I CA -0.365 60.947 61.300 0.020 0.000 1.097 361 I CB -0.109 37.906 38.000 0.024 0.000 1.048 361 I HN 0.647 nan 8.210 nan 0.000 0.393 362 G N -0.663 108.142 108.800 0.008 0.000 2.631 362 G HA2 -0.147 4.023 3.960 0.349 0.000 0.271 362 G HA3 -0.147 4.023 3.960 0.349 0.000 0.271 362 G C 0.441 175.334 174.900 -0.013 0.000 1.302 362 G CA 0.098 45.197 45.100 -0.002 0.000 1.002 362 G HN 0.430 nan 8.290 nan 0.000 0.519 363 H N -1.326 117.630 119.070 -0.190 0.000 2.470 363 H HA 0.196 4.962 4.556 0.351 0.000 0.289 363 H C -0.049 175.060 175.328 -0.364 0.000 1.033 363 H CA 0.736 56.586 56.048 -0.330 0.000 1.331 363 H CB 0.018 29.489 29.762 -0.485 0.000 1.414 363 H HN 0.199 nan 8.280 nan 0.000 0.545 364 F N -0.290 119.576 119.950 -0.140 0.000 2.631 364 F HA 0.170 4.906 4.527 0.348 0.000 0.328 364 F C 1.032 176.778 175.800 -0.090 0.000 1.067 364 F CA -1.427 56.462 58.000 -0.184 0.000 0.969 364 F CB 0.783 39.705 39.000 -0.130 0.000 1.332 364 F HN 0.080 nan 8.300 nan 0.000 0.490 365 D N -0.420 120.069 120.400 0.149 0.000 2.358 365 D HA -0.115 4.734 4.640 0.349 0.000 0.241 365 D C 0.257 176.589 176.300 0.054 0.000 1.094 365 D CA 0.529 54.573 54.000 0.075 0.000 0.907 365 D CB -0.604 40.222 40.800 0.044 0.000 0.893 365 D HN 0.560 nan 8.370 nan 0.000 0.528 366 N N 0.054 118.796 118.700 0.070 0.000 2.203 366 N HA -0.035 4.915 4.740 0.349 0.000 0.207 366 N C 0.930 176.462 175.510 0.037 0.000 1.130 366 N CA -0.255 52.817 53.050 0.037 0.000 0.861 366 N CB -0.036 38.462 38.487 0.019 0.000 1.005 366 N HN 0.229 nan 8.380 nan 0.000 0.507 367 E N 0.521 120.748 120.200 0.045 0.000 2.106 367 E HA 0.030 4.590 4.350 0.349 0.000 0.192 367 E C 0.221 176.836 176.600 0.025 0.000 0.984 367 E CA 0.741 57.160 56.400 0.032 0.000 0.806 367 E CB 0.314 30.031 29.700 0.027 0.000 0.750 367 E HN 0.432 nan 8.360 nan 0.000 0.458 368 I N 1.482 122.065 120.570 0.020 0.000 2.498 368 I HA 0.044 4.424 4.170 0.349 0.000 0.301 368 I C 0.167 176.281 176.117 -0.006 0.000 0.984 368 I CA -0.579 60.727 61.300 0.010 0.000 1.204 368 I CB 1.275 39.275 38.000 -0.000 0.000 1.362 368 I HN -0.206 nan 8.210 nan 0.000 0.471 369 D N 5.817 126.206 120.400 -0.018 0.000 2.801 369 D HA 0.075 4.925 4.640 0.349 0.000 0.232 369 D C 1.188 177.440 176.300 -0.080 0.000 1.128 369 D CA 0.032 54.009 54.000 -0.038 0.000 1.003 369 D CB 0.419 41.196 40.800 -0.038 0.000 1.110 369 D HN 0.320 nan 8.370 nan 0.000 0.477 370 M N 0.674 120.230 119.600 -0.074 0.000 2.108 370 M HA -0.150 4.540 4.480 0.349 0.000 0.261 370 M C 2.042 178.280 176.300 -0.104 0.000 1.066 370 M CA 1.044 56.280 55.300 -0.107 0.000 1.107 370 M CB -1.226 31.354 32.600 -0.033 0.000 1.356 370 M HN 0.385 nan 8.290 nan 0.000 0.406 371 A N 0.152 122.942 122.820 -0.050 0.000 1.877 371 A HA -0.013 4.517 4.320 0.349 0.000 0.216 371 A C 2.462 180.020 177.584 -0.043 0.000 1.186 371 A CA 2.025 54.046 52.037 -0.026 0.000 0.620 371 A CB -1.472 17.522 19.000 -0.010 0.000 0.822 371 A HN 0.511 nan 8.150 nan 0.000 0.443 372 G N -0.292 108.474 108.800 -0.056 0.000 2.418 372 G HA2 -0.154 4.016 3.960 0.349 0.000 0.217 372 G HA3 -0.154 4.016 3.960 0.349 0.000 0.217 372 G C 1.465 176.315 174.900 -0.084 0.000 1.158 372 G CA 1.196 46.264 45.100 -0.054 0.000 0.771 372 G HN 0.441 nan 8.290 nan 0.000 0.545 373 L N 0.714 121.831 121.223 -0.176 0.000 2.042 373 L HA -0.035 4.515 4.340 0.349 0.000 0.210 373 L C 2.581 179.231 176.870 -0.368 0.000 1.076 373 L CA 2.192 56.809 54.840 -0.372 0.000 0.749 373 L CB -0.691 40.941 42.059 -0.713 0.000 0.893 373 L HN 0.349 nan 8.230 nan 0.000 0.432 374 E N -1.020 119.058 120.200 -0.203 0.000 2.152 374 E HA -0.104 4.455 4.350 0.349 0.000 0.192 374 E C 1.955 178.606 176.600 0.086 0.000 0.983 374 E CA 0.796 57.217 56.400 0.034 0.000 0.818 374 E CB 0.010 29.772 29.700 0.104 0.000 0.758 374 E HN 0.440 nan 8.360 nan 0.000 0.467 375 R N 0.153 120.672 120.500 0.031 0.000 2.317 375 R HA 0.071 4.620 4.340 0.349 0.000 0.208 375 R C 2.046 178.370 176.300 0.040 0.000 0.914 375 R CA 0.623 56.747 56.100 0.039 0.000 1.060 375 R CB 0.257 30.572 30.300 0.025 0.000 1.015 375 R HN 0.093 nan 8.270 nan 0.000 0.498 376 S N -0.529 115.193 115.700 0.037 0.000 2.436 376 S HA 0.032 4.711 4.470 0.349 0.000 0.228 376 S C 1.661 176.310 174.600 0.083 0.000 1.014 376 S CA 0.811 59.052 58.200 0.068 0.000 0.950 376 S CB 0.233 63.495 63.200 0.103 0.000 0.784 376 S HN 0.446 nan 8.310 nan 0.000 0.504 377 G N 0.844 109.686 108.800 0.069 0.000 2.194 377 G HA2 -0.076 4.093 3.960 0.349 0.000 0.236 377 G HA3 -0.076 4.093 3.960 0.349 0.000 0.236 377 G C 0.301 175.206 174.900 0.008 0.000 0.987 377 G CA 0.015 45.148 45.100 0.055 0.000 0.635 377 G HN 1.314 nan 8.290 nan 0.000 0.520 378 A N 0.670 123.436 122.820 -0.090 0.000 2.483 378 A HA 0.623 5.152 4.320 0.349 0.000 0.238 378 A C 1.009 178.615 177.584 0.037 0.000 1.070 378 A CA 1.425 53.317 52.037 -0.242 0.000 0.770 378 A CB 0.124 18.692 19.000 -0.720 0.000 1.008 378 A HN 1.784 nan 8.150 nan 0.000 0.497 379 T N -0.031 114.483 114.554 -0.068 0.000 2.928 379 T HA 0.628 5.188 4.350 0.349 0.000 0.284 379 T C -0.104 174.344 174.700 -0.420 0.000 1.008 379 T CA -0.774 61.230 62.100 -0.160 0.000 1.057 379 T CB 1.136 69.926 68.868 -0.130 0.000 1.018 379 T HN 0.787 nan 8.240 nan 0.000 0.493 380 R N 0.984 121.076 120.500 -0.680 0.000 2.514 380 R HA 0.661 5.210 4.340 0.349 0.000 0.301 380 R C -1.821 174.162 176.300 -0.528 0.000 0.962 380 R CA -0.777 54.710 56.100 -1.021 0.000 0.882 380 R CB 1.517 30.953 30.300 -1.440 0.000 1.143 380 R HN 0.589 nan 8.270 nan 0.000 0.452 381 V N 4.762 124.415 119.914 -0.436 0.000 2.483 381 V HA 0.224 4.554 4.120 0.349 0.000 0.297 381 V C -0.171 175.783 176.094 -0.232 0.000 1.027 381 V CA -1.022 61.124 62.300 -0.256 0.000 0.855 381 V CB 1.539 33.261 31.823 -0.168 0.000 0.995 381 V HN 0.808 nan 8.190 nan 0.000 0.424 382 N N 3.353 121.947 118.700 -0.177 0.000 2.497 382 N HA 0.148 5.097 4.740 0.349 0.000 0.268 382 N C 0.558 176.017 175.510 -0.086 0.000 1.171 382 N CA -0.064 52.911 53.050 -0.126 0.000 0.948 382 N CB 1.978 40.409 38.487 -0.095 0.000 1.069 382 N HN 0.406 nan 8.380 nan 0.000 0.460 383 V N 3.913 123.786 119.914 -0.068 0.000 2.492 383 V HA 0.020 4.350 4.120 0.349 0.000 0.241 383 V C 0.514 176.588 176.094 -0.033 0.000 1.041 383 V CA 1.241 63.516 62.300 -0.042 0.000 1.057 383 V CB -0.294 31.514 31.823 -0.026 0.000 0.711 383 V HN 0.830 nan 8.190 nan 0.000 0.468 384 K N -1.246 119.131 120.400 -0.038 0.000 2.680 384 K HA 0.407 4.936 4.320 0.349 0.000 0.295 384 K C -3.322 173.248 176.600 -0.049 0.000 1.052 384 K CA -1.872 54.395 56.287 -0.033 0.000 0.863 384 K CB 0.658 33.145 32.500 -0.022 0.000 1.549 384 K HN -0.241 nan 8.250 nan 0.000 0.391 385 P HA 0.025 nan 4.420 nan 0.000 0.262 385 P C -0.905 176.314 177.300 -0.135 0.000 1.182 385 P CA 0.659 63.710 63.100 -0.082 0.000 0.761 385 P CB 0.445 32.116 31.700 -0.048 0.000 0.795 386 Q N -0.639 119.023 119.800 -0.230 0.000 2.460 386 Q HA -0.135 4.415 4.340 0.349 0.000 0.248 386 Q C -0.754 175.162 176.000 -0.139 0.000 0.847 386 Q CA 0.995 56.618 55.803 -0.300 0.000 1.214 386 Q CB -2.169 26.363 28.738 -0.344 0.000 1.523 386 Q HN 0.277 nan 8.270 nan 0.000 0.602 387 V N 0.761 120.624 119.914 -0.086 0.000 2.447 387 V HA 0.484 4.813 4.120 0.349 0.000 0.292 387 V C -0.453 175.623 176.094 -0.031 0.000 1.021 387 V CA -0.793 61.486 62.300 -0.035 0.000 0.850 387 V CB 2.052 33.860 31.823 -0.025 0.000 1.005 387 V HN 0.053 nan 8.190 nan 0.000 0.426 388 D N 3.830 124.235 120.400 0.008 0.000 2.502 388 D HA 0.439 5.289 4.640 0.349 0.000 0.249 388 D C -0.842 175.454 176.300 -0.007 0.000 1.092 388 D CA -0.472 53.507 54.000 -0.035 0.000 0.839 388 D CB 3.095 43.905 40.800 0.017 0.000 1.264 388 D HN 0.313 nan 8.370 nan 0.000 0.511 389 L N 3.094 124.242 121.223 -0.125 0.000 2.260 389 L HA 0.334 4.884 4.340 0.349 0.000 0.289 389 L C -1.186 175.557 176.870 -0.211 0.000 1.057 389 L CA -0.310 54.465 54.840 -0.109 0.000 0.811 389 L CB 0.318 42.302 42.059 -0.126 0.000 1.184 389 L HN 0.286 nan 8.230 nan 0.000 0.429 390 W N 3.964 125.197 121.300 -0.111 0.000 2.478 390 W HA 0.592 5.461 4.660 0.349 0.000 0.318 390 W C -0.128 176.279 176.519 -0.187 0.000 1.062 390 W CA -0.421 56.829 57.345 -0.157 0.000 1.210 390 W CB 1.909 31.279 29.460 -0.151 0.000 1.325 390 W HN 0.365 nan 8.180 nan 0.000 0.496 391 T N 4.023 118.555 114.554 -0.036 0.000 2.812 391 T HA 0.403 4.962 4.350 0.349 0.000 0.282 391 T C -1.051 173.560 174.700 -0.149 0.000 0.990 391 T CA -0.620 61.457 62.100 -0.038 0.000 0.960 391 T CB 0.433 69.289 68.868 -0.020 0.000 0.948 391 T HN -0.028 nan 8.240 nan 0.000 0.438 392 F N 2.225 122.228 119.950 0.088 0.000 2.375 392 F HA 0.403 5.140 4.527 0.349 0.000 0.362 392 F C 1.612 177.445 175.800 0.055 0.000 1.129 392 F CA -0.574 57.469 58.000 0.072 0.000 1.154 392 F CB 0.906 39.940 39.000 0.056 0.000 1.205 392 F HN 0.803 nan 8.300 nan 0.000 0.513 393 G N 2.253 111.148 108.800 0.159 0.000 2.440 393 G HA2 -0.326 3.844 3.960 0.349 0.000 0.218 393 G HA3 -0.326 3.844 3.960 0.349 0.000 0.218 393 G C 1.402 176.372 174.900 0.117 0.000 1.154 393 G CA 1.117 46.283 45.100 0.110 0.000 0.767 393 G HN 0.668 nan 8.290 nan 0.000 0.552 394 D N 1.012 121.497 120.400 0.142 0.000 2.104 394 D HA -0.176 4.673 4.640 0.349 0.000 0.194 394 D C 2.390 178.743 176.300 0.088 0.000 0.994 394 D CA 2.407 56.469 54.000 0.104 0.000 0.830 394 D CB -1.280 39.578 40.800 0.097 0.000 0.959 394 D HN 0.436 nan 8.370 nan 0.000 0.452 395 T N -4.649 109.971 114.554 0.111 0.000 3.035 395 T HA 0.338 4.897 4.350 0.349 0.000 0.259 395 T C 1.901 176.658 174.700 0.095 0.000 1.078 395 T CA 0.877 63.024 62.100 0.079 0.000 1.132 395 T CB -0.196 68.699 68.868 0.045 0.000 0.900 395 T HN 0.578 nan 8.240 nan 0.000 0.480 396 G N 1.635 110.513 108.800 0.131 0.000 2.141 396 G HA2 -0.217 3.952 3.960 0.349 0.000 0.242 396 G HA3 -0.217 3.952 3.960 0.349 0.000 0.242 396 G C 0.068 175.053 174.900 0.141 0.000 0.982 396 G CA -0.116 45.055 45.100 0.118 0.000 0.662 396 G HN 0.697 nan 8.290 nan 0.000 0.527 397 R N 0.313 120.920 120.500 0.178 0.000 2.460 397 R HA 0.648 5.198 4.340 0.349 0.000 0.303 397 R C -0.443 175.990 176.300 0.222 0.000 0.968 397 R CA -0.313 55.896 56.100 0.181 0.000 0.889 397 R CB 1.599 31.981 30.300 0.137 0.000 1.123 397 R HN 0.176 nan 8.270 nan 0.000 0.455 398 S N 2.446 118.229 115.700 0.138 0.000 2.578 398 S HA 0.571 5.251 4.470 0.349 0.000 0.301 398 S C -0.478 174.107 174.600 -0.025 0.000 1.091 398 S CA -0.735 57.476 58.200 0.019 0.000 1.032 398 S CB 1.346 64.421 63.200 -0.208 0.000 1.064 398 S HN 0.315 nan 8.310 nan 0.000 0.508 399 I N 2.165 122.762 120.570 0.046 0.000 2.545 399 I HA 0.435 4.815 4.170 0.349 0.000 0.292 399 I C -0.552 175.602 176.117 0.062 0.000 1.040 399 I CA -0.835 60.510 61.300 0.075 0.000 1.068 399 I CB 1.610 39.710 38.000 0.168 0.000 1.251 399 I HN 0.592 nan 8.210 nan 0.000 0.424 400 I N 5.965 126.556 120.570 0.034 0.000 2.312 400 I HA 0.279 4.659 4.170 0.349 0.000 0.291 400 I C -0.063 176.115 176.117 0.101 0.000 1.031 400 I CA -0.527 60.807 61.300 0.056 0.000 1.293 400 I CB 1.188 39.209 38.000 0.035 0.000 1.403 400 I HN 0.140 nan 8.210 nan 0.000 0.484 401 V N 7.608 127.623 119.914 0.169 0.000 2.532 401 V HA 0.425 4.754 4.120 0.349 0.000 0.295 401 V C 0.122 176.278 176.094 0.103 0.000 1.041 401 V CA -0.662 61.727 62.300 0.148 0.000 0.926 401 V CB 1.972 33.916 31.823 0.203 0.000 0.992 401 V HN 0.476 nan 8.190 nan 0.000 0.457 402 L N 2.889 124.153 121.223 0.069 0.000 2.322 402 L HA 0.412 4.962 4.340 0.349 0.000 0.281 402 L C 0.886 177.778 176.870 0.037 0.000 1.014 402 L CA -0.392 54.470 54.840 0.037 0.000 0.815 402 L CB 1.746 43.822 42.059 0.028 0.000 1.247 402 L HN 0.847 nan 8.230 nan 0.000 0.421 403 S N 1.687 117.372 115.700 -0.025 0.000 3.473 403 S HA -0.207 4.473 4.470 0.349 0.000 0.339 403 S C 0.659 175.329 174.600 0.117 0.000 1.148 403 S CA 1.282 59.442 58.200 -0.066 0.000 0.969 403 S CB -1.144 62.085 63.200 0.048 0.000 0.936 403 S HN 0.923 nan 8.310 nan 0.000 0.530 404 E N -1.995 118.277 120.200 0.121 0.000 2.539 404 E HA -0.285 4.275 4.350 0.349 0.000 0.253 404 E C 0.854 177.556 176.600 0.169 0.000 1.145 404 E CA 0.667 57.191 56.400 0.206 0.000 0.738 404 E CB -2.146 27.738 29.700 0.306 0.000 1.308 404 E HN 1.518 nan 8.360 nan 0.000 0.409 405 G N -0.169 108.703 108.800 0.121 0.000 2.143 405 G HA2 -0.355 3.815 3.960 0.349 0.000 0.249 405 G HA3 -0.355 3.815 3.960 0.349 0.000 0.249 405 G C 0.271 175.229 174.900 0.097 0.000 0.981 405 G CA 0.668 45.818 45.100 0.084 0.000 0.665 405 G HN 0.283 nan 8.290 nan 0.000 0.528 406 R N -1.036 119.552 120.500 0.147 0.000 2.700 406 R HA 0.708 5.257 4.340 0.349 0.000 0.253 406 R C 0.641 177.009 176.300 0.112 0.000 1.091 406 R CA -1.023 55.158 56.100 0.135 0.000 1.104 406 R CB 0.399 30.823 30.300 0.206 0.000 1.202 406 R HN 0.153 nan 8.270 nan 0.000 0.532 407 L N 3.153 124.420 121.223 0.074 0.000 2.660 407 L HA -0.051 4.499 4.340 0.349 0.000 0.272 407 L C 1.187 178.089 176.870 0.053 0.000 1.194 407 L CA 0.288 55.154 54.840 0.043 0.000 0.945 407 L CB -0.431 41.636 42.059 0.012 0.000 1.212 407 L HN 0.604 nan 8.230 nan 0.000 0.490 408 L N 0.875 122.123 121.223 0.042 0.000 2.313 408 L HA 0.037 4.587 4.340 0.349 0.000 0.214 408 L C 1.983 178.871 176.870 0.029 0.000 1.119 408 L CA 1.024 55.887 54.840 0.038 0.000 0.809 408 L CB -0.809 41.270 42.059 0.032 0.000 0.933 408 L HN 0.728 nan 8.230 nan 0.000 0.449 409 N N 0.986 119.699 118.700 0.021 0.000 2.251 409 N HA -0.111 4.838 4.740 0.349 0.000 0.181 409 N C 1.732 177.246 175.510 0.007 0.000 1.019 409 N CA 1.582 54.650 53.050 0.029 0.000 0.862 409 N CB -0.828 37.688 38.487 0.050 0.000 0.992 409 N HN 0.463 nan 8.380 nan 0.000 0.429 410 L N 0.140 121.335 121.223 -0.048 0.000 2.156 410 L HA 0.126 4.676 4.340 0.349 0.000 0.208 410 L C 2.532 179.420 176.870 0.030 0.000 1.095 410 L CA 1.335 56.136 54.840 -0.066 0.000 0.770 410 L CB -0.511 41.400 42.059 -0.247 0.000 0.914 410 L HN 0.346 nan 8.230 nan 0.000 0.439 411 G N -1.024 107.815 108.800 0.065 0.000 2.426 411 G HA2 -0.146 4.024 3.960 0.349 0.000 0.214 411 G HA3 -0.146 4.024 3.960 0.349 0.000 0.214 411 G C 1.350 176.260 174.900 0.017 0.000 1.156 411 G CA 0.180 45.342 45.100 0.103 0.000 0.802 411 G HN 0.290 nan 8.290 nan 0.000 0.534 412 N N 0.192 118.899 118.700 0.010 0.000 2.325 412 N HA 0.291 5.241 4.740 0.349 0.000 0.182 412 N C 1.005 176.530 175.510 0.025 0.000 1.088 412 N CA 0.642 53.692 53.050 0.000 0.000 0.879 412 N CB 0.965 39.452 38.487 -0.001 0.000 0.983 412 N HN 0.387 nan 8.380 nan 0.000 0.471 413 A N 0.353 123.198 122.820 0.041 0.000 3.389 413 A HA 0.382 4.912 4.320 0.349 0.000 0.179 413 A C 0.746 178.373 177.584 0.072 0.000 0.848 413 A CA 0.236 52.309 52.037 0.060 0.000 1.090 413 A CB -0.074 18.966 19.000 0.068 0.000 1.808 413 A HN 0.111 nan 8.150 nan 0.000 0.715 414 T N -2.767 111.837 114.554 0.084 0.000 3.111 414 T HA 0.519 5.078 4.350 0.349 0.000 0.284 414 T C 1.106 175.838 174.700 0.052 0.000 0.983 414 T CA 1.281 63.430 62.100 0.083 0.000 0.900 414 T CB -0.250 68.682 68.868 0.106 0.000 1.132 414 T HN 2.554 nan 8.240 nan 0.000 0.531 415 G N 1.741 110.561 108.800 0.033 0.000 2.645 415 G HA2 -0.192 3.977 3.960 0.349 0.000 0.239 415 G HA3 -0.192 3.977 3.960 0.349 0.000 0.239 415 G C -0.461 174.491 174.900 0.086 0.000 1.331 415 G CA -0.374 44.706 45.100 -0.034 0.000 0.890 415 G HN 0.844 nan 8.290 nan 0.000 0.572 416 H N 1.858 120.929 119.070 0.001 0.000 2.822 416 H HA 0.338 5.103 4.556 0.348 0.000 0.373 416 H C -1.595 173.689 175.328 -0.074 0.000 1.223 416 H CA -0.388 55.647 56.048 -0.022 0.000 1.436 416 H CB 0.415 30.148 29.762 -0.049 0.000 1.439 416 H HN 0.501 nan 8.280 nan 0.000 0.618 417 P HA 0.010 nan 4.420 nan 0.000 0.274 417 P C 0.198 177.492 177.300 -0.011 0.000 1.237 417 P CA -0.255 62.772 63.100 -0.120 0.000 0.793 417 P CB 1.193 32.671 31.700 -0.370 0.000 0.977 418 S N 0.925 116.641 115.700 0.026 0.000 2.372 418 S HA -0.229 4.450 4.470 0.349 0.000 0.227 418 S C 1.568 176.212 174.600 0.074 0.000 1.044 418 S CA 1.508 59.741 58.200 0.056 0.000 1.050 418 S CB -1.183 62.065 63.200 0.080 0.000 0.901 418 S HN 0.531 nan 8.310 nan 0.000 0.447 419 F N 1.680 121.618 119.950 -0.021 0.000 2.161 419 F HA -0.146 4.592 4.527 0.352 0.000 0.300 419 F C 2.260 178.031 175.800 -0.048 0.000 1.089 419 F CA 1.019 59.023 58.000 0.005 0.000 1.282 419 F CB -0.304 38.702 39.000 0.010 0.000 1.010 419 F HN -0.032 nan 8.300 nan 0.000 0.485 420 V N -0.104 119.872 119.914 0.105 0.000 2.261 420 V HA -0.338 3.992 4.120 0.349 0.000 0.246 420 V C 2.374 178.385 176.094 -0.138 0.000 1.047 420 V CA 1.768 64.065 62.300 -0.005 0.000 1.015 420 V CB -0.476 31.346 31.823 -0.002 0.000 0.642 420 V HN 0.266 nan 8.190 nan 0.000 0.446 421 M N -0.264 119.243 119.600 -0.156 0.000 2.213 421 M HA -0.115 4.574 4.480 0.349 0.000 0.263 421 M C 2.488 178.571 176.300 -0.361 0.000 1.062 421 M CA 1.793 56.859 55.300 -0.390 0.000 1.105 421 M CB -1.786 30.560 32.600 -0.422 0.000 1.385 421 M HN 0.461 nan 8.290 nan 0.000 0.417 422 S N 0.807 116.404 115.700 -0.173 0.000 2.380 422 S HA -0.210 4.470 4.470 0.349 0.000 0.229 422 S C 1.779 176.304 174.600 -0.124 0.000 1.043 422 S CA 1.910 60.066 58.200 -0.074 0.000 1.038 422 S CB -0.168 62.987 63.200 -0.075 0.000 0.872 422 S HN 0.478 nan 8.310 nan 0.000 0.456 423 N N 1.176 119.645 118.700 -0.384 0.000 2.043 423 N HA -0.032 4.917 4.740 0.349 0.000 0.193 423 N C 1.967 177.375 175.510 -0.170 0.000 1.037 423 N CA 1.907 54.718 53.050 -0.400 0.000 0.851 423 N CB -0.690 37.498 38.487 -0.498 0.000 1.027 423 N HN 0.481 nan 8.380 nan 0.000 0.422 424 S N -0.147 115.441 115.700 -0.186 0.000 2.436 424 S HA 0.050 4.729 4.470 0.349 0.000 0.228 424 S C 1.412 176.061 174.600 0.081 0.000 1.014 424 S CA 0.482 58.618 58.200 -0.107 0.000 0.950 424 S CB -0.224 62.848 63.200 -0.214 0.000 0.784 424 S HN 0.199 nan 8.310 nan 0.000 0.504 425 F N 1.992 121.935 119.950 -0.011 0.000 2.367 425 F HA 0.340 5.076 4.527 0.348 0.000 0.298 425 F C 2.497 178.287 175.800 -0.017 0.000 1.094 425 F CA -0.524 57.470 58.000 -0.009 0.000 1.409 425 F CB -1.319 37.670 39.000 -0.018 0.000 1.064 425 F HN 0.191 nan 8.300 nan 0.000 0.528 426 A N 0.615 123.529 122.820 0.156 0.000 1.877 426 A HA -0.225 4.305 4.320 0.349 0.000 0.216 426 A C 2.068 179.690 177.584 0.063 0.000 1.186 426 A CA 2.019 54.109 52.037 0.088 0.000 0.620 426 A CB -1.116 17.936 19.000 0.086 0.000 0.822 426 A HN 0.384 nan 8.150 nan 0.000 0.443 427 N N -0.849 117.886 118.700 0.058 0.000 2.104 427 N HA -0.203 4.746 4.740 0.349 0.000 0.190 427 N C 1.957 177.500 175.510 0.056 0.000 1.024 427 N CA 1.601 54.677 53.050 0.043 0.000 0.853 427 N CB -0.205 38.303 38.487 0.035 0.000 1.008 427 N HN 0.535 nan 8.380 nan 0.000 0.424 428 Q N 0.317 120.179 119.800 0.103 0.000 1.985 428 Q HA -0.147 4.403 4.340 0.349 0.000 0.207 428 Q C 1.898 177.912 176.000 0.024 0.000 0.996 428 Q CA 2.182 58.037 55.803 0.087 0.000 0.851 428 Q CB -0.766 28.061 28.738 0.149 0.000 0.921 428 Q HN 0.326 nan 8.270 nan 0.000 0.418 429 T N 0.542 115.103 114.554 0.013 0.000 2.665 429 T HA -0.169 4.390 4.350 0.349 0.000 0.268 429 T C 1.818 176.478 174.700 -0.066 0.000 1.035 429 T CA 1.642 63.716 62.100 -0.043 0.000 1.151 429 T CB -0.363 68.476 68.868 -0.048 0.000 0.862 429 T HN 0.244 nan 8.240 nan 0.000 0.438 430 I N 1.254 121.802 120.570 -0.037 0.000 2.179 430 I HA -0.164 4.216 4.170 0.349 0.000 0.242 430 I C 2.926 179.025 176.117 -0.029 0.000 1.088 430 I CA 1.136 62.410 61.300 -0.042 0.000 1.357 430 I CB -0.479 37.517 38.000 -0.006 0.000 1.051 430 I HN 0.197 nan 8.210 nan 0.000 0.409 431 A N -0.022 122.790 122.820 -0.013 0.000 1.933 431 A HA -0.231 4.299 4.320 0.349 0.000 0.218 431 A C 2.273 179.830 177.584 -0.044 0.000 1.175 431 A CA 1.346 53.372 52.037 -0.019 0.000 0.628 431 A CB -0.449 18.549 19.000 -0.002 0.000 0.814 431 A HN 0.366 nan 8.150 nan 0.000 0.444 432 Q N 0.023 119.797 119.800 -0.044 0.000 2.030 432 Q HA -0.170 4.380 4.340 0.349 0.000 0.204 432 Q C 2.175 178.170 176.000 -0.009 0.000 0.986 432 Q CA 1.724 57.499 55.803 -0.048 0.000 0.843 432 Q CB -0.606 28.088 28.738 -0.074 0.000 0.904 432 Q HN 0.777 nan 8.270 nan 0.000 0.420 433 I N 1.116 121.661 120.570 -0.042 0.000 2.118 433 I HA -0.296 4.084 4.170 0.349 0.000 0.241 433 I C 2.251 178.392 176.117 0.041 0.000 1.070 433 I CA 1.293 62.580 61.300 -0.023 0.000 1.327 433 I CB -0.422 37.468 38.000 -0.184 0.000 1.034 433 I HN 0.199 nan 8.210 nan 0.000 0.405 434 E N 0.840 121.052 120.200 0.018 0.000 2.058 434 E HA -0.206 4.354 4.350 0.349 0.000 0.194 434 E C 2.327 178.936 176.600 0.015 0.000 0.997 434 E CA 1.342 57.777 56.400 0.058 0.000 0.801 434 E CB -0.443 29.310 29.700 0.088 0.000 0.746 434 E HN 0.519 nan 8.360 nan 0.000 0.450 435 L N -0.377 120.769 121.223 -0.128 0.000 2.217 435 L HA -0.090 4.459 4.340 0.349 0.000 0.211 435 L C 2.446 179.322 176.870 0.011 0.000 1.107 435 L CA 0.695 55.395 54.840 -0.234 0.000 0.783 435 L CB -0.282 41.610 42.059 -0.278 0.000 0.919 435 L HN 0.307 nan 8.230 nan 0.000 0.442 436 W N 1.060 122.287 121.300 -0.121 0.000 2.441 436 W HA -0.194 4.692 4.660 0.377 0.000 0.302 436 W C 2.442 178.934 176.519 -0.045 0.000 1.191 436 W CA 1.870 59.163 57.345 -0.087 0.000 1.327 436 W CB 0.047 29.454 29.460 -0.090 0.000 1.128 436 W HN 0.251 nan 8.180 nan 0.000 0.522 437 T N -1.561 112.973 114.554 -0.032 0.000 3.043 437 T HA 0.038 4.598 4.350 0.349 0.000 0.263 437 T C 0.964 175.621 174.700 -0.072 0.000 1.094 437 T CA 0.616 62.656 62.100 -0.100 0.000 1.127 437 T CB -0.131 68.749 68.868 0.021 0.000 0.905 437 T HN -0.002 nan 8.240 nan 0.000 0.490 438 K N 1.081 121.485 120.400 0.006 0.000 3.239 438 K HA 0.309 4.838 4.320 0.349 0.000 0.204 438 K C 0.914 177.600 176.600 0.143 0.000 1.126 438 K CA -0.254 56.075 56.287 0.070 0.000 0.948 438 K CB 0.257 32.842 32.500 0.141 0.000 0.818 438 K HN 0.191 nan 8.250 nan 0.000 0.480 439 N N 2.221 120.933 118.700 0.020 0.000 2.142 439 N HA -0.167 4.783 4.740 0.349 0.000 0.186 439 N C 1.084 176.658 175.510 0.107 0.000 1.023 439 N CA 1.624 54.701 53.050 0.045 0.000 0.852 439 N CB 0.280 38.714 38.487 -0.089 0.000 0.998 439 N HN 0.402 nan 8.380 nan 0.000 0.424 440 D N 0.487 120.904 120.400 0.028 0.000 2.271 440 D HA -0.199 4.650 4.640 0.349 0.000 0.207 440 D C 0.820 177.135 176.300 0.024 0.000 0.983 440 D CA 1.016 55.027 54.000 0.018 0.000 0.878 440 D CB -0.512 40.277 40.800 -0.018 0.000 0.920 440 D HN 0.492 nan 8.370 nan 0.000 0.479 441 E N -0.823 119.389 120.200 0.021 0.000 2.482 441 E HA -0.020 4.540 4.350 0.349 0.000 0.196 441 E C -0.249 176.177 176.600 -0.290 0.000 1.047 441 E CA 0.224 56.537 56.400 -0.144 0.000 0.869 441 E CB 0.116 29.669 29.700 -0.246 0.000 0.836 441 E HN 0.413 nan 8.360 nan 0.000 0.520 442 Y N 0.620 120.863 120.300 -0.095 0.000 2.468 442 Y HA 0.251 4.750 4.550 -0.085 0.000 0.342 442 Y C 0.445 176.402 175.900 0.096 0.000 1.021 442 Y CA -1.201 56.840 58.100 -0.098 0.000 1.079 442 Y CB 1.181 39.536 38.460 -0.176 0.000 1.226 442 Y HN -0.194 nan 8.280 nan 0.000 0.460 443 D N 0.093 120.734 120.400 0.401 0.000 2.487 443 D HA 0.149 4.999 4.640 0.349 0.000 0.262 443 D C -0.641 175.856 176.300 0.328 0.000 1.130 443 D CA -0.623 53.557 54.000 0.300 0.000 1.038 443 D CB 0.649 41.578 40.800 0.216 0.000 1.142 443 D HN 0.428 nan 8.370 nan 0.000 0.575 444 N N 1.454 120.267 118.700 0.187 0.000 2.670 444 N HA 0.078 5.028 4.740 0.349 0.000 0.296 444 N C -0.445 175.125 175.510 0.100 0.000 1.216 444 N CA 0.491 53.618 53.050 0.128 0.000 1.123 444 N CB -0.057 38.455 38.487 0.041 0.000 1.459 444 N HN 0.321 nan 8.380 nan 0.000 0.509 445 E N -1.021 119.261 120.200 0.137 0.000 2.433 445 E HA 0.395 4.954 4.350 0.349 0.000 0.278 445 E C -1.025 175.557 176.600 -0.031 0.000 0.976 445 E CA -0.880 55.504 56.400 -0.027 0.000 0.793 445 E CB 2.003 31.554 29.700 -0.249 0.000 1.311 445 E HN -0.082 nan 8.360 nan 0.000 0.460 446 V N 2.251 122.134 119.914 -0.051 0.000 2.432 446 V HA 0.316 4.646 4.120 0.349 0.000 0.275 446 V C -0.925 175.135 176.094 -0.057 0.000 1.043 446 V CA -0.264 62.069 62.300 0.055 0.000 0.925 446 V CB -0.197 31.729 31.823 0.171 0.000 0.985 446 V HN 0.508 nan 8.190 nan 0.000 0.466 447 Y N 3.621 124.038 120.300 0.195 0.000 2.567 447 Y HA 0.736 5.539 4.550 0.421 0.000 0.333 447 Y C 0.523 176.523 175.900 0.166 0.000 1.106 447 Y CA -0.952 57.271 58.100 0.205 0.000 1.157 447 Y CB 1.761 40.399 38.460 0.297 0.000 1.277 447 Y HN 0.461 nan 8.280 nan 0.000 0.490 448 R N 0.721 121.422 120.500 0.334 0.000 2.803 448 R HA 0.570 5.120 4.340 0.349 0.000 0.276 448 R C -1.416 175.004 176.300 0.201 0.000 0.978 448 R CA -1.057 55.175 56.100 0.220 0.000 0.939 448 R CB 1.791 32.197 30.300 0.176 0.000 1.179 448 R HN 0.529 nan 8.270 nan 0.000 0.472 449 L N 3.081 124.385 121.223 0.134 0.000 2.439 449 L HA 0.256 4.805 4.340 0.349 0.000 0.269 449 L C -1.739 175.167 176.870 0.060 0.000 1.179 449 L CA -1.719 53.175 54.840 0.090 0.000 0.828 449 L CB 0.311 42.394 42.059 0.040 0.000 1.106 449 L HN 0.309 nan 8.230 nan 0.000 0.467 450 P HA -0.095 nan 4.420 nan 0.000 0.266 450 P C 0.207 177.490 177.300 -0.028 0.000 1.180 450 P CA 0.106 63.218 63.100 0.019 0.000 0.765 450 P CB 0.520 32.206 31.700 -0.022 0.000 0.806 451 K N 2.167 122.599 120.400 0.053 0.000 2.097 451 K HA -0.206 4.323 4.320 0.349 0.000 0.206 451 K C 2.024 178.647 176.600 0.039 0.000 1.049 451 K CA 1.182 57.510 56.287 0.069 0.000 0.933 451 K CB -0.319 32.258 32.500 0.130 0.000 0.717 451 K HN 0.639 nan 8.250 nan 0.000 0.442 452 H N 0.730 119.816 119.070 0.027 0.000 2.387 452 H HA -0.159 4.604 4.556 0.345 0.000 0.299 452 H C 1.954 177.300 175.328 0.029 0.000 1.099 452 H CA 1.485 57.535 56.048 0.004 0.000 1.315 452 H CB -0.582 29.171 29.762 -0.016 0.000 1.380 452 H HN 0.220 nan 8.280 nan 0.000 0.513 453 L N 0.505 121.409 121.223 -0.531 0.000 2.046 453 L HA -0.155 4.395 4.340 0.349 0.000 0.208 453 L C 2.639 179.454 176.870 -0.091 0.000 1.077 453 L CA 1.346 56.014 54.840 -0.287 0.000 0.747 453 L CB -0.532 41.330 42.059 -0.328 0.000 0.896 453 L HN 0.214 nan 8.230 nan 0.000 0.432 454 D N 0.474 120.832 120.400 -0.069 0.000 2.103 454 D HA -0.217 4.633 4.640 0.349 0.000 0.190 454 D C 2.102 178.397 176.300 -0.008 0.000 0.997 454 D CA 1.534 55.515 54.000 -0.031 0.000 0.833 454 D CB -0.002 40.789 40.800 -0.014 0.000 0.961 454 D HN 0.353 nan 8.370 nan 0.000 0.447 455 E N 0.431 120.654 120.200 0.038 0.000 2.085 455 E HA -0.213 4.346 4.350 0.349 0.000 0.194 455 E C 2.106 178.756 176.600 0.083 0.000 0.994 455 E CA 0.754 57.210 56.400 0.093 0.000 0.801 455 E CB -0.083 29.706 29.700 0.149 0.000 0.743 455 E HN 0.242 nan 8.360 nan 0.000 0.453 456 K N 1.045 121.486 120.400 0.067 0.000 2.044 456 K HA -0.199 4.331 4.320 0.349 0.000 0.210 456 K C 2.114 178.744 176.600 0.050 0.000 1.049 456 K CA 1.554 57.881 56.287 0.066 0.000 0.927 456 K CB -0.063 32.479 32.500 0.069 0.000 0.713 456 K HN 0.021 nan 8.250 nan 0.000 0.443 457 V N 0.887 120.821 119.914 0.034 0.000 2.453 457 V HA -0.181 4.148 4.120 0.349 0.000 0.247 457 V C 2.413 178.570 176.094 0.105 0.000 1.048 457 V CA 1.742 64.079 62.300 0.061 0.000 1.049 457 V CB -0.496 31.332 31.823 0.009 0.000 0.672 457 V HN 0.455 nan 8.190 nan 0.000 0.457 458 A N 0.112 122.930 122.820 -0.004 0.000 1.902 458 A HA -0.261 4.268 4.320 0.349 0.000 0.217 458 A C 2.403 180.020 177.584 0.056 0.000 1.181 458 A CA 2.078 54.084 52.037 -0.052 0.000 0.623 458 A CB -0.568 18.389 19.000 -0.071 0.000 0.818 458 A HN 0.473 nan 8.150 nan 0.000 0.443 459 R N -0.333 120.208 120.500 0.069 0.000 2.081 459 R HA -0.089 4.461 4.340 0.349 0.000 0.235 459 R C 1.902 178.224 176.300 0.036 0.000 1.131 459 R CA 1.699 57.841 56.100 0.070 0.000 0.960 459 R CB -0.408 29.941 30.300 0.083 0.000 0.856 459 R HN 0.560 nan 8.270 nan 0.000 0.436 460 I N -0.330 120.230 120.570 -0.015 0.000 2.286 460 I HA -0.273 4.107 4.170 0.349 0.000 0.248 460 I C 1.756 177.743 176.117 -0.217 0.000 1.115 460 I CA 1.569 62.778 61.300 -0.151 0.000 1.392 460 I CB -0.230 37.603 38.000 -0.277 0.000 1.065 460 I HN 0.300 nan 8.210 nan 0.000 0.418 461 H N -0.832 118.215 119.070 -0.040 0.000 2.415 461 H HA -0.025 4.739 4.556 0.348 0.000 0.297 461 H C 2.249 177.666 175.328 0.149 0.000 1.048 461 H CA 0.960 57.019 56.048 0.018 0.000 1.365 461 H CB -0.170 29.521 29.762 -0.117 0.000 1.421 461 H HN 0.005 nan 8.280 nan 0.000 0.533 462 V N 1.181 121.203 119.914 0.180 0.000 2.231 462 V HA -0.313 4.016 4.120 0.349 0.000 0.248 462 V C 2.095 178.248 176.094 0.098 0.000 1.054 462 V CA 2.184 64.555 62.300 0.119 0.000 1.015 462 V CB -0.443 31.432 31.823 0.087 0.000 0.638 462 V HN 0.511 nan 8.190 nan 0.000 0.444 463 E N 0.107 120.357 120.200 0.083 0.000 2.065 463 E HA -0.304 4.256 4.350 0.349 0.000 0.201 463 E C 2.269 178.920 176.600 0.086 0.000 1.016 463 E CA 1.614 58.060 56.400 0.077 0.000 0.818 463 E CB -0.405 29.325 29.700 0.050 0.000 0.749 463 E HN 0.612 nan 8.360 nan 0.000 0.453 464 A N 0.780 123.662 122.820 0.103 0.000 2.019 464 A HA -0.116 4.414 4.320 0.349 0.000 0.219 464 A C 2.055 179.733 177.584 0.156 0.000 1.164 464 A CA 0.951 53.078 52.037 0.150 0.000 0.644 464 A CB -0.352 18.765 19.000 0.194 0.000 0.805 464 A HN 0.151 nan 8.150 nan 0.000 0.449 465 L N -1.380 119.926 121.223 0.138 0.000 2.591 465 L HA 0.196 4.745 4.340 0.349 0.000 0.228 465 L C 1.492 178.349 176.870 -0.022 0.000 1.133 465 L CA 0.506 55.354 54.840 0.014 0.000 0.880 465 L CB -0.104 41.947 42.059 -0.013 0.000 1.033 465 L HN 0.573 nan 8.230 nan 0.000 0.450 466 G N 0.355 109.156 108.800 0.002 0.000 2.149 466 G HA2 -0.196 3.973 3.960 0.349 0.000 0.235 466 G HA3 -0.196 3.973 3.960 0.349 0.000 0.235 466 G C 0.386 175.139 174.900 -0.245 0.000 1.018 466 G CA -0.121 44.953 45.100 -0.044 0.000 0.728 466 G HN 0.486 nan 8.290 nan 0.000 0.508 467 G N -0.804 107.906 108.800 -0.151 0.000 2.400 467 G HA2 0.614 4.783 3.960 0.349 0.000 0.301 467 G HA3 0.614 4.783 3.960 0.349 0.000 0.301 467 G C -0.561 174.250 174.900 -0.149 0.000 1.154 467 G CA -0.679 44.297 45.100 -0.207 0.000 0.852 467 G HN 0.580 nan 8.290 nan 0.000 0.511 468 H N 1.129 120.212 119.070 0.022 0.000 2.685 468 H HA 0.315 5.080 4.556 0.349 0.000 0.307 468 H C -0.063 175.273 175.328 0.013 0.000 1.017 468 H CA -0.816 55.242 56.048 0.017 0.000 1.237 468 H CB 1.573 31.342 29.762 0.012 0.000 1.409 468 H HN 0.195 nan 8.280 nan 0.000 0.488 469 L N 2.718 124.018 121.223 0.128 0.000 2.416 469 L HA 0.137 4.686 4.340 0.349 0.000 0.272 469 L C 0.536 177.434 176.870 0.048 0.000 1.161 469 L CA -0.062 54.816 54.840 0.063 0.000 0.845 469 L CB 0.816 42.904 42.059 0.048 0.000 1.119 469 L HN 0.635 nan 8.230 nan 0.000 0.464 470 T N 3.405 117.967 114.554 0.013 0.000 2.832 470 T HA 0.122 4.682 4.350 0.349 0.000 0.296 470 T C 0.051 174.738 174.700 -0.022 0.000 0.968 470 T CA -0.361 61.739 62.100 -0.001 0.000 1.107 470 T CB 0.706 69.566 68.868 -0.013 0.000 0.916 470 T HN 0.396 nan 8.240 nan 0.000 0.517 471 K N 4.472 124.868 120.400 -0.006 0.000 2.227 471 K HA 0.330 4.859 4.320 0.349 0.000 0.280 471 K C -0.098 176.501 176.600 -0.002 0.000 1.041 471 K CA -0.645 55.643 56.287 0.002 0.000 0.905 471 K CB 0.455 32.969 32.500 0.022 0.000 1.068 471 K HN 0.535 nan 8.250 nan 0.000 0.470 472 L N 3.877 125.100 121.223 0.001 0.000 2.543 472 L HA -0.028 4.522 4.340 0.349 0.000 0.285 472 L C 0.944 177.829 176.870 0.024 0.000 1.236 472 L CA 0.142 54.991 54.840 0.014 0.000 0.871 472 L CB 0.291 42.380 42.059 0.049 0.000 1.121 472 L HN 0.839 nan 8.230 nan 0.000 0.501 473 T N -0.584 113.979 114.554 0.015 0.000 2.868 473 T HA 0.098 4.657 4.350 0.349 0.000 0.292 473 T C 1.038 175.757 174.700 0.031 0.000 1.028 473 T CA -0.699 61.411 62.100 0.016 0.000 1.059 473 T CB 1.210 70.080 68.868 0.003 0.000 0.991 473 T HN 0.648 nan 8.240 nan 0.000 0.531 474 K N 0.529 120.947 120.400 0.030 0.000 2.052 474 K HA -0.297 4.232 4.320 0.349 0.000 0.215 474 K C 2.243 178.868 176.600 0.042 0.000 1.053 474 K CA 2.441 58.749 56.287 0.035 0.000 0.934 474 K CB -0.242 32.273 32.500 0.026 0.000 0.717 474 K HN 0.903 nan 8.250 nan 0.000 0.450 475 E N 0.130 120.350 120.200 0.033 0.000 2.107 475 E HA -0.198 4.362 4.350 0.349 0.000 0.191 475 E C 2.003 178.640 176.600 0.061 0.000 0.982 475 E CA 1.170 57.595 56.400 0.041 0.000 0.809 475 E CB 0.074 29.785 29.700 0.018 0.000 0.756 475 E HN 0.350 nan 8.360 nan 0.000 0.459 476 Q N -0.112 119.708 119.800 0.034 0.000 2.096 476 Q HA -0.159 4.391 4.340 0.349 0.000 0.204 476 Q C 2.183 178.253 176.000 0.116 0.000 0.982 476 Q CA 1.563 57.395 55.803 0.049 0.000 0.850 476 Q CB -0.168 28.577 28.738 0.012 0.000 0.901 476 Q HN 0.425 nan 8.270 nan 0.000 0.422 477 A N 0.645 123.522 122.820 0.095 0.000 1.968 477 A HA -0.194 4.335 4.320 0.349 0.000 0.217 477 A C 1.839 179.485 177.584 0.104 0.000 1.169 477 A CA 1.154 53.255 52.037 0.107 0.000 0.638 477 A CB -0.324 18.734 19.000 0.097 0.000 0.812 477 A HN 0.341 nan 8.150 nan 0.000 0.446 478 E N -1.445 118.815 120.200 0.100 0.000 2.077 478 E HA -0.228 4.332 4.350 0.349 0.000 0.193 478 E C 1.770 178.440 176.600 0.117 0.000 0.989 478 E CA 1.356 57.811 56.400 0.091 0.000 0.800 478 E CB -0.271 29.479 29.700 0.083 0.000 0.746 478 E HN 0.720 nan 8.360 nan 0.000 0.452 479 Y N 0.831 121.141 120.300 0.017 0.000 2.207 479 Y HA -0.183 4.576 4.550 0.349 0.000 0.287 479 Y C 1.867 177.776 175.900 0.015 0.000 1.156 479 Y CA 1.475 59.583 58.100 0.014 0.000 1.182 479 Y CB 0.033 38.500 38.460 0.011 0.000 0.979 479 Y HN 0.032 nan 8.280 nan 0.000 0.521 480 L N -1.021 120.290 121.223 0.147 0.000 2.418 480 L HA 0.141 4.690 4.340 0.349 0.000 0.218 480 L C 1.534 178.416 176.870 0.020 0.000 1.125 480 L CA 0.638 55.513 54.840 0.058 0.000 0.835 480 L CB -0.710 41.410 42.059 0.102 0.000 0.953 480 L HN 0.421 nan 8.230 nan 0.000 0.454 481 G N 1.511 110.329 108.800 0.030 0.000 2.272 481 G HA2 -0.217 3.953 3.960 0.349 0.000 0.280 481 G HA3 -0.217 3.953 3.960 0.349 0.000 0.280 481 G C -0.001 174.916 174.900 0.029 0.000 1.067 481 G CA 0.416 45.528 45.100 0.019 0.000 0.902 481 G HN 0.312 nan 8.290 nan 0.000 0.500 482 V N -3.914 116.033 119.914 0.054 0.000 3.074 482 V HA 0.896 5.225 4.120 0.349 0.000 0.314 482 V C -0.299 175.830 176.094 0.058 0.000 1.117 482 V CA -1.513 60.820 62.300 0.055 0.000 1.014 482 V CB 2.219 34.115 31.823 0.120 0.000 1.057 482 V HN 0.038 nan 8.190 nan 0.000 0.438 483 D N 1.005 121.416 120.400 0.019 0.000 2.264 483 D HA 0.409 5.258 4.640 0.349 0.000 0.249 483 D C 1.284 177.635 176.300 0.085 0.000 1.070 483 D CA -0.300 53.715 54.000 0.024 0.000 0.912 483 D CB 1.986 42.773 40.800 -0.022 0.000 1.193 483 D HN 0.377 nan 8.370 nan 0.000 0.427 484 V N 1.517 121.496 119.914 0.108 0.000 2.439 484 V HA -0.219 4.110 4.120 0.349 0.000 0.253 484 V C 1.893 178.134 176.094 0.246 0.000 1.074 484 V CA 1.638 64.040 62.300 0.170 0.000 1.076 484 V CB -0.247 31.636 31.823 0.100 0.000 0.664 484 V HN 0.537 nan 8.190 nan 0.000 0.461 485 E N -0.540 119.720 120.200 0.099 0.000 2.479 485 E HA 0.286 4.846 4.350 0.349 0.000 0.193 485 E C 1.055 177.510 176.600 -0.241 0.000 1.049 485 E CA 0.684 57.108 56.400 0.040 0.000 0.870 485 E CB 0.284 29.986 29.700 0.004 0.000 0.944 485 E HN 0.636 nan 8.360 nan 0.000 0.492 486 G N 1.979 110.402 108.800 -0.629 0.000 2.796 486 G HA2 -0.210 3.960 3.960 0.349 0.000 0.571 486 G HA3 -0.210 3.960 3.960 0.349 0.000 0.571 486 G C -2.548 172.105 174.900 -0.410 0.000 1.370 486 G CA -0.825 43.618 45.100 -1.095 0.000 0.856 486 G HN 0.030 nan 8.290 nan 0.000 0.538 487 P HA 0.384 nan 4.420 nan 0.000 0.270 487 P C -0.115 176.978 177.300 -0.345 0.000 1.223 487 P CA 0.100 63.012 63.100 -0.313 0.000 0.785 487 P CB 0.130 31.797 31.700 -0.056 0.000 0.923 488 Y N -0.920 119.396 120.300 0.026 0.000 2.481 488 Y HA 0.283 5.044 4.550 0.352 0.000 0.247 488 Y C 0.614 176.437 175.900 -0.129 0.000 1.151 488 Y CA 0.221 58.302 58.100 -0.030 0.000 1.238 488 Y CB 0.455 38.906 38.460 -0.015 0.000 1.179 488 Y HN 0.040 nan 8.280 nan 0.000 0.524 489 K N 0.731 121.118 120.400 -0.021 0.000 2.469 489 K HA 0.430 4.960 4.320 0.349 0.000 0.254 489 K C -2.993 173.555 176.600 -0.086 0.000 0.939 489 K CA -2.089 54.070 56.287 -0.213 0.000 0.812 489 K CB 1.705 33.942 32.500 -0.438 0.000 1.301 489 K HN -0.195 nan 8.250 nan 0.000 0.433 490 P HA 0.058 nan 4.420 nan 0.000 0.272 490 P C 0.334 177.639 177.300 0.008 0.000 1.230 490 P CA -0.062 63.020 63.100 -0.031 0.000 0.788 490 P CB 0.745 32.407 31.700 -0.063 0.000 0.949 491 D N 0.242 120.716 120.400 0.123 0.000 2.182 491 D HA -0.217 4.633 4.640 0.349 0.000 0.201 491 D C 1.467 177.881 176.300 0.189 0.000 0.986 491 D CA 1.561 55.661 54.000 0.166 0.000 0.847 491 D CB -0.490 40.412 40.800 0.170 0.000 0.942 491 D HN 0.649 nan 8.370 nan 0.000 0.467 492 H N -2.850 116.296 119.070 0.127 0.000 2.543 492 H HA 0.087 4.852 4.556 0.348 0.000 0.269 492 H C 0.069 175.467 175.328 0.117 0.000 1.005 492 H CA -0.417 55.695 56.048 0.107 0.000 1.146 492 H CB -0.873 28.929 29.762 0.067 0.000 1.353 492 H HN 0.098 nan 8.280 nan 0.000 0.595 493 Y N 2.219 122.344 120.300 -0.292 0.000 2.497 493 Y HA 0.053 4.812 4.550 0.348 0.000 0.334 493 Y C 1.055 176.904 175.900 -0.085 0.000 1.199 493 Y CA -0.101 57.806 58.100 -0.322 0.000 1.425 493 Y CB 0.635 38.814 38.460 -0.468 0.000 1.291 493 Y HN 0.129 nan 8.280 nan 0.000 0.562 494 R N 3.187 123.242 120.500 -0.742 0.000 2.307 494 R HA 0.091 4.641 4.340 0.349 0.000 0.200 494 R C -0.783 175.461 176.300 -0.094 0.000 0.893 494 R CA -0.023 55.916 56.100 -0.268 0.000 1.042 494 R CB 0.109 30.272 30.300 -0.227 0.000 1.059 494 R HN 0.809 nan 8.270 nan 0.000 0.530 495 Y N 0.000 119.939 120.300 -0.602 0.000 2.660 495 Y HA 0.000 4.759 4.550 0.349 0.000 0.201 495 Y CA 0.000 58.042 58.100 -0.096 0.000 1.940 495 Y CB 0.000 38.546 38.460 0.143 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758