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 1xup_1_O DATA FIRST_RESID 6 DATA SEQUENCE YVMAIDQGTT SSRAIIFDRN GKKIGSSQKE FPQYFPKSGW VEHNANEIWN DATA SEQUENCE SVQSVIAGAF IESGIRPEAI AGIGITNQRE TTVVWDKTTG QPIANAIVWQ DATA SEQUENCE SRQSSPIADQ LKVDGHTEMI HEKTGLVIDA YFSATKVRWL LDNIEGAQEK DATA SEQUENCE ADNGELLFGT IDSWLVWKLT DGQVHVTDYS NASRTMLYNI HKLEWDQEIL DATA SEQUENCE DLLNIPSSML PEVKSNSEVY GHTRSYHFYG SEVPIAGMAG DQQAALFGQM DATA SEQUENCE AFEKGMIKNT YGTGAFIVMN TGEEPQLSDN DLLTTIGYGI NGKVYYALEG DATA SEQUENCE SIFVAGSAIQ WLRDGLRMIE TSPQSEELAA KAKGDNEVYV VPAFTGLGAP DATA SEQUENCE YWDSEARGAV FGLTRGTTKE DFVRATLQAV AYQSKDVIDT MKKDSGIDIP DATA SEQUENCE LLKVDGGAAK NDLLMQFQAD ILDIDVQRAA NLETTALGAA YLAGLAVGFW DATA SEQUENCE KDLDELKSMA EEGQMFTPEM PAEERDNLYE GWKQAVA 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 6 Y HA 0.000 nan 4.550 nan 0.000 0.201 6 Y C 0.000 175.961 175.900 0.102 0.000 1.272 6 Y CA 0.000 58.203 58.100 0.172 0.000 1.940 6 Y CB 0.000 38.555 38.460 0.158 0.000 1.050 7 V N 2.831 122.958 119.914 0.355 0.000 2.482 7 V HA 0.355 4.449 4.120 -0.043 0.000 0.295 7 V C -0.527 175.648 176.094 0.135 0.000 1.026 7 V CA -0.814 61.623 62.300 0.228 0.000 0.856 7 V CB 1.578 33.598 31.823 0.329 0.000 1.001 7 V HN 0.534 nan 8.190 nan 0.000 0.424 8 M N 3.908 123.538 119.600 0.051 0.000 3.396 8 M HA 0.346 4.800 4.480 -0.043 0.000 0.255 8 M C 0.679 176.944 176.300 -0.058 0.000 1.398 8 M CA -0.179 55.117 55.300 -0.008 0.000 1.554 8 M CB 0.396 32.976 32.600 -0.034 0.000 1.070 8 M HN 0.711 nan 8.290 nan 0.000 0.587 9 A N 3.399 126.171 122.820 -0.078 0.000 2.655 9 A HA 0.418 4.712 4.320 -0.043 0.000 0.297 9 A C 0.191 177.676 177.584 -0.164 0.000 1.461 9 A CA -0.159 51.721 52.037 -0.261 0.000 1.146 9 A CB -0.400 18.187 19.000 -0.687 0.000 1.108 9 A HN 0.539 nan 8.150 nan 0.000 0.550 10 I N 1.787 122.279 120.570 -0.129 0.000 2.437 10 I HA 0.387 4.532 4.170 -0.043 0.000 0.298 10 I C 0.100 176.166 176.117 -0.086 0.000 0.984 10 I CA -0.425 60.828 61.300 -0.077 0.000 1.214 10 I CB 1.534 39.500 38.000 -0.058 0.000 1.365 10 I HN 0.634 nan 8.210 nan 0.000 0.469 11 D N 2.805 123.175 120.400 -0.050 0.000 2.467 11 D HA 0.414 5.028 4.640 -0.043 0.000 0.245 11 D C 0.155 176.456 176.300 0.002 0.000 1.038 11 D CA -0.120 53.856 54.000 -0.039 0.000 1.038 11 D CB 2.161 42.941 40.800 -0.033 0.000 1.278 11 D HN 0.380 nan 8.370 nan 0.000 0.564 12 Q N 0.130 119.945 119.800 0.025 0.000 1.985 12 Q HA 0.204 4.518 4.340 -0.043 0.000 0.221 12 Q C 1.059 177.117 176.000 0.097 0.000 0.728 12 Q CA 0.559 56.397 55.803 0.059 0.000 0.882 12 Q CB 1.048 29.831 28.738 0.074 0.000 1.203 12 Q HN 0.772 nan 8.270 nan 0.000 0.441 13 G N 1.087 109.944 108.800 0.096 0.000 2.672 13 G HA2 -0.424 3.510 3.960 -0.043 0.000 0.332 13 G HA3 -0.424 3.510 3.960 -0.043 0.000 0.332 13 G C 0.827 175.869 174.900 0.236 0.000 1.213 13 G CA 1.701 46.889 45.100 0.147 0.000 0.980 13 G HN 0.330 nan 8.290 nan 0.000 0.548 14 T N -1.093 113.613 114.554 0.254 0.000 2.987 14 T HA 0.431 4.756 4.350 -0.043 0.000 0.248 14 T C 1.682 176.557 174.700 0.293 0.000 0.997 14 T CA 1.954 64.244 62.100 0.316 0.000 1.013 14 T CB 0.511 69.493 68.868 0.190 0.000 1.077 14 T HN 0.830 nan 8.240 nan 0.000 0.483 15 T N 0.262 114.939 114.554 0.206 0.000 3.320 15 T HA 0.051 4.375 4.350 -0.043 0.000 0.265 15 T C 0.461 175.232 174.700 0.118 0.000 0.835 15 T CA -0.335 61.859 62.100 0.157 0.000 0.839 15 T CB -0.044 68.951 68.868 0.213 0.000 1.241 15 T HN 0.127 nan 8.240 nan 0.000 0.654 16 S N 3.618 119.396 115.700 0.130 0.000 2.858 16 S HA 0.176 4.620 4.470 -0.043 0.000 0.328 16 S C 0.332 174.985 174.600 0.088 0.000 1.149 16 S CA -0.086 58.182 58.200 0.114 0.000 1.421 16 S CB -0.387 62.877 63.200 0.106 0.000 1.461 16 S HN 0.354 nan 8.310 nan 0.000 0.587 17 S N 4.665 120.409 115.700 0.074 0.000 2.443 17 S HA 0.266 4.711 4.470 -0.043 0.000 0.284 17 S C 0.702 175.329 174.600 0.045 0.000 1.206 17 S CA -0.399 57.826 58.200 0.042 0.000 1.074 17 S CB 0.366 63.571 63.200 0.009 0.000 0.963 17 S HN 0.571 nan 8.310 nan 0.000 0.501 18 R N 1.389 121.913 120.500 0.039 0.000 2.987 18 R HA 0.847 5.161 4.340 -0.043 0.000 0.248 18 R C -0.445 175.880 176.300 0.041 0.000 1.264 18 R CA -0.842 55.284 56.100 0.043 0.000 1.026 18 R CB 1.120 31.452 30.300 0.054 0.000 1.286 18 R HN 0.720 nan 8.270 nan 0.000 0.483 19 A N -0.121 122.744 122.820 0.074 0.000 2.441 19 A HA -0.083 4.212 4.320 -0.043 0.000 0.686 19 A C -0.633 177.015 177.584 0.107 0.000 0.143 19 A CA 0.309 52.433 52.037 0.144 0.000 0.029 19 A CB -1.286 17.763 19.000 0.083 0.000 3.973 19 A HN 0.732 nan 8.150 nan 0.000 0.548 20 I N -1.789 118.897 120.570 0.192 0.000 3.524 20 I HA 0.724 4.868 4.170 -0.043 0.000 0.312 20 I C 0.331 176.526 176.117 0.132 0.000 1.203 20 I CA -0.697 60.638 61.300 0.058 0.000 0.974 20 I CB 1.231 39.202 38.000 -0.049 0.000 1.352 20 I HN 1.242 nan 8.210 nan 0.000 0.475 21 I N 2.596 123.147 120.570 -0.032 0.000 2.455 21 I HA 0.199 4.343 4.170 -0.043 0.000 0.303 21 I C -0.839 175.275 176.117 -0.004 0.000 1.180 21 I CA 0.022 61.298 61.300 -0.040 0.000 1.469 21 I CB -0.614 37.275 38.000 -0.186 0.000 1.480 21 I HN 0.368 nan 8.210 nan 0.000 0.669 22 F N 5.667 125.559 119.950 -0.096 0.000 2.538 22 F HA -0.014 4.492 4.527 -0.035 0.000 0.382 22 F C 0.948 176.736 175.800 -0.020 0.000 1.069 22 F CA -0.339 57.631 58.000 -0.050 0.000 1.138 22 F CB 0.103 39.096 39.000 -0.010 0.000 1.068 22 F HN 0.464 nan 8.300 nan 0.000 0.556 23 D N 6.282 126.669 120.400 -0.022 0.000 2.540 23 D HA 0.029 4.643 4.640 -0.043 0.000 0.237 23 D C 1.089 177.546 176.300 0.262 0.000 1.181 23 D CA 0.441 54.439 54.000 -0.004 0.000 1.119 23 D CB -0.037 40.694 40.800 -0.115 0.000 1.119 23 D HN 0.573 nan 8.370 nan 0.000 0.498 24 R N 1.174 121.910 120.500 0.393 0.000 1.470 24 R HA -0.345 3.969 4.340 -0.043 0.000 0.079 24 R C 0.535 177.026 176.300 0.319 0.000 0.955 24 R CA 2.029 58.355 56.100 0.377 0.000 0.737 24 R CB -1.149 29.336 30.300 0.308 0.000 0.546 24 R HN 0.286 nan 8.270 nan 0.000 0.339 25 N N 1.589 120.425 118.700 0.227 0.000 2.581 25 N HA 0.182 4.896 4.740 -0.043 0.000 0.230 25 N C -0.011 175.613 175.510 0.189 0.000 1.310 25 N CA 1.208 54.367 53.050 0.182 0.000 0.886 25 N CB 0.302 38.862 38.487 0.123 0.000 1.205 25 N HN 0.640 nan 8.380 nan 0.000 0.488 26 G N 0.188 109.145 108.800 0.261 0.000 2.370 26 G HA2 -0.293 3.642 3.960 -0.043 0.000 0.295 26 G HA3 -0.293 3.642 3.960 -0.043 0.000 0.295 26 G C 0.053 175.043 174.900 0.149 0.000 1.045 26 G CA 0.267 45.521 45.100 0.257 0.000 1.199 26 G HN 0.371 nan 8.290 nan 0.000 0.513 27 K N -0.549 119.904 120.400 0.087 0.000 2.399 27 K HA 0.830 5.125 4.320 -0.043 0.000 0.260 27 K C 0.021 176.433 176.600 -0.313 0.000 1.049 27 K CA -0.776 55.472 56.287 -0.065 0.000 0.890 27 K CB 1.297 33.784 32.500 -0.021 0.000 1.430 27 K HN 0.231 nan 8.250 nan 0.000 0.459 28 K N 0.668 120.870 120.400 -0.330 0.000 2.444 28 K HA 0.592 4.887 4.320 -0.043 0.000 0.252 28 K C -0.727 175.707 176.600 -0.277 0.000 0.993 28 K CA -0.889 55.114 56.287 -0.472 0.000 0.847 28 K CB 1.682 33.907 32.500 -0.459 0.000 1.340 28 K HN 0.292 nan 8.250 nan 0.000 0.446 29 I N 0.996 121.409 120.570 -0.261 0.000 2.727 29 I HA 0.209 4.353 4.170 -0.043 0.000 0.319 29 I C -0.339 175.702 176.117 -0.126 0.000 1.510 29 I CA -0.106 61.095 61.300 -0.164 0.000 0.795 29 I CB 0.757 38.657 38.000 -0.167 0.000 1.827 29 I HN 0.830 nan 8.210 nan 0.000 0.624 30 G N 0.110 108.835 108.800 -0.126 0.000 2.601 30 G HA2 0.417 4.351 3.960 -0.043 0.000 0.291 30 G HA3 0.417 4.351 3.960 -0.043 0.000 0.291 30 G C -1.200 173.662 174.900 -0.064 0.000 1.456 30 G CA -0.264 44.788 45.100 -0.080 0.000 0.804 30 G HN -0.091 nan 8.290 nan 0.000 0.499 31 S N -0.076 115.605 115.700 -0.033 0.000 2.327 31 S HA 0.467 4.911 4.470 -0.043 0.000 0.203 31 S C 0.063 174.662 174.600 -0.001 0.000 1.326 31 S CA -0.305 57.885 58.200 -0.017 0.000 1.248 31 S CB -0.327 62.867 63.200 -0.010 0.000 1.199 31 S HN 0.639 nan 8.310 nan 0.000 0.422 32 S N 2.941 118.642 115.700 0.000 0.000 2.405 32 S HA 0.381 4.825 4.470 -0.043 0.000 0.291 32 S C -0.341 174.276 174.600 0.028 0.000 1.137 32 S CA -0.280 57.928 58.200 0.012 0.000 1.061 32 S CB 0.500 63.702 63.200 0.003 0.000 1.001 32 S HN 0.699 nan 8.310 nan 0.000 0.507 33 Q N 2.811 122.633 119.800 0.036 0.000 2.709 33 Q HA 0.299 4.613 4.340 -0.043 0.000 0.232 33 Q C -1.408 174.629 176.000 0.062 0.000 0.856 33 Q CA -0.352 55.480 55.803 0.048 0.000 0.788 33 Q CB 1.591 30.354 28.738 0.041 0.000 1.386 33 Q HN 0.447 nan 8.270 nan 0.000 0.453 34 K N 1.873 122.324 120.400 0.087 0.000 2.578 34 K HA 0.315 4.609 4.320 -0.043 0.000 0.250 34 K C -1.109 175.594 176.600 0.172 0.000 0.955 34 K CA -0.452 55.913 56.287 0.129 0.000 0.825 34 K CB 2.201 34.808 32.500 0.178 0.000 1.151 34 K HN 0.334 nan 8.250 nan 0.000 0.432 35 E N 2.980 123.265 120.200 0.143 0.000 2.055 35 E HA 0.193 4.518 4.350 -0.043 0.000 0.274 35 E C -0.768 175.936 176.600 0.172 0.000 0.949 35 E CA -0.631 55.858 56.400 0.148 0.000 0.775 35 E CB 0.589 30.341 29.700 0.087 0.000 1.097 35 E HN 0.245 nan 8.360 nan 0.000 0.404 36 F N 3.127 123.081 119.950 0.006 0.000 2.506 36 F HA 0.137 4.640 4.527 -0.041 0.000 0.351 36 F C -1.572 174.186 175.800 -0.071 0.000 1.136 36 F CA -2.111 55.878 58.000 -0.018 0.000 1.298 36 F CB 0.313 39.312 39.000 -0.002 0.000 1.145 36 F HN 0.291 nan 8.300 nan 0.000 0.593 37 P HA -0.057 nan 4.420 nan 0.000 0.252 37 P C -0.692 176.329 177.300 -0.465 0.000 1.183 37 P CA 0.327 63.273 63.100 -0.258 0.000 0.973 37 P CB 0.021 31.549 31.700 -0.286 0.000 0.990 38 Q N 2.529 122.183 119.800 -0.243 0.000 2.364 38 Q HA 0.099 4.413 4.340 -0.043 0.000 0.267 38 Q C -0.178 175.670 176.000 -0.254 0.000 0.999 38 Q CA 0.654 56.340 55.803 -0.194 0.000 0.886 38 Q CB 0.426 29.152 28.738 -0.020 0.000 1.243 38 Q HN 0.444 nan 8.270 nan 0.000 0.415 39 Y N 0.487 120.885 120.300 0.164 0.000 2.446 39 Y HA 0.440 4.965 4.550 -0.041 0.000 0.338 39 Y C -0.459 175.570 175.900 0.215 0.000 1.055 39 Y CA -0.937 57.268 58.100 0.175 0.000 1.101 39 Y CB 1.360 39.905 38.460 0.140 0.000 1.221 39 Y HN 0.496 nan 8.280 nan 0.000 0.460 40 F N 4.274 124.377 119.950 0.254 0.000 2.676 40 F HA 0.536 5.035 4.527 -0.047 0.000 0.371 40 F C -2.483 173.403 175.800 0.144 0.000 1.141 40 F CA -2.139 55.969 58.000 0.179 0.000 1.133 40 F CB 0.559 39.669 39.000 0.183 0.000 1.376 40 F HN 0.363 nan 8.300 nan 0.000 0.491 41 P HA 0.083 nan 4.420 nan 0.000 0.306 41 P C -0.925 176.340 177.300 -0.059 0.000 1.301 41 P CA -0.389 62.713 63.100 0.003 0.000 0.744 41 P CB 0.381 32.080 31.700 -0.001 0.000 1.400 42 K N -0.014 120.278 120.400 -0.181 0.000 2.451 42 K HA 0.144 4.438 4.320 -0.043 0.000 0.280 42 K C 0.493 176.905 176.600 -0.313 0.000 1.020 42 K CA 0.193 56.315 56.287 -0.275 0.000 1.008 42 K CB 0.119 32.340 32.500 -0.465 0.000 0.917 42 K HN 0.348 nan 8.250 nan 0.000 0.478 43 S N 2.192 117.840 115.700 -0.088 0.000 4.141 43 S HA -0.264 4.180 4.470 -0.043 0.000 0.443 43 S C 0.973 175.639 174.600 0.110 0.000 1.849 43 S CA 1.792 60.014 58.200 0.036 0.000 4.221 43 S CB -1.542 61.662 63.200 0.007 0.000 0.370 43 S HN 1.134 nan 8.310 nan 0.000 0.455 44 G N -1.553 107.260 108.800 0.022 0.000 5.371 44 G HA2 0.372 4.306 3.960 -0.043 0.000 0.208 44 G HA3 0.372 4.306 3.960 -0.043 0.000 0.208 44 G C -0.620 174.201 174.900 -0.131 0.000 0.815 44 G CA -0.201 44.755 45.100 -0.240 0.000 0.735 44 G HN 0.352 nan 8.290 nan 0.000 0.284 45 W N 2.292 123.354 121.300 -0.397 0.000 1.564 45 W HA 0.500 5.134 4.660 -0.043 0.000 0.448 45 W C 0.431 176.774 176.519 -0.293 0.000 0.601 45 W CA -1.295 55.866 57.345 -0.307 0.000 2.326 45 W CB -0.653 28.667 29.460 -0.235 0.000 1.355 45 W HN -0.114 nan 8.180 nan 0.000 0.382 46 V N 2.593 122.395 119.914 -0.187 0.000 2.614 46 V HA 0.226 4.320 4.120 -0.043 0.000 0.291 46 V C 0.340 176.380 176.094 -0.089 0.000 1.049 46 V CA -0.361 61.839 62.300 -0.167 0.000 1.038 46 V CB 0.806 32.483 31.823 -0.244 0.000 0.980 46 V HN 0.384 nan 8.190 nan 0.000 0.481 47 E N 3.627 123.823 120.200 -0.007 0.000 2.683 47 E HA 0.258 4.582 4.350 -0.043 0.000 0.339 47 E C -1.402 175.294 176.600 0.159 0.000 0.921 47 E CA -0.852 55.562 56.400 0.023 0.000 0.786 47 E CB 0.775 30.522 29.700 0.078 0.000 1.363 47 E HN 0.874 nan 8.360 nan 0.000 0.401 48 H N 1.882 121.014 119.070 0.104 0.000 2.604 48 H HA 0.352 4.875 4.556 -0.055 0.000 0.306 48 H C -0.074 175.313 175.328 0.099 0.000 1.075 48 H CA -1.054 55.094 56.048 0.167 0.000 1.357 48 H CB 0.250 30.108 29.762 0.160 0.000 1.426 48 H HN 0.348 nan 8.280 nan 0.000 0.470 49 N N 1.799 120.640 118.700 0.235 0.000 2.292 49 N HA -0.054 4.661 4.740 -0.043 0.000 0.242 49 N C 1.099 176.592 175.510 -0.027 0.000 1.243 49 N CA 0.710 53.818 53.050 0.097 0.000 0.851 49 N CB 0.684 39.232 38.487 0.101 0.000 1.093 49 N HN 0.859 nan 8.380 nan 0.000 0.450 50 A N 3.133 125.864 122.820 -0.148 0.000 2.084 50 A HA -0.239 4.055 4.320 -0.043 0.000 0.221 50 A C 1.711 179.235 177.584 -0.100 0.000 1.161 50 A CA 1.570 53.356 52.037 -0.419 0.000 0.653 50 A CB -0.416 18.093 19.000 -0.819 0.000 0.802 50 A HN 0.729 nan 8.150 nan 0.000 0.457 51 N N 0.194 118.933 118.700 0.064 0.000 2.069 51 N HA -0.189 4.525 4.740 -0.043 0.000 0.191 51 N C 1.654 177.259 175.510 0.158 0.000 1.031 51 N CA 1.666 54.835 53.050 0.198 0.000 0.852 51 N CB -0.435 38.161 38.487 0.182 0.000 1.018 51 N HN 0.754 nan 8.380 nan 0.000 0.423 52 E N 0.410 120.658 120.200 0.079 0.000 2.153 52 E HA -0.114 4.210 4.350 -0.043 0.000 0.194 52 E C 1.687 178.160 176.600 -0.211 0.000 0.988 52 E CA 0.741 57.133 56.400 -0.014 0.000 0.811 52 E CB -0.032 29.723 29.700 0.092 0.000 0.746 52 E HN 0.358 nan 8.360 nan 0.000 0.466 53 I N 0.203 120.678 120.570 -0.159 0.000 2.133 53 I HA -0.257 3.888 4.170 -0.043 0.000 0.238 53 I C 2.510 178.763 176.117 0.226 0.000 1.074 53 I CA 1.231 62.494 61.300 -0.062 0.000 1.342 53 I CB -0.711 37.238 38.000 -0.085 0.000 1.053 53 I HN 0.403 nan 8.210 nan 0.000 0.404 54 W N 2.487 123.961 121.300 0.291 0.000 2.335 54 W HA -0.299 4.330 4.660 -0.052 0.000 0.311 54 W C 2.363 178.916 176.519 0.056 0.000 1.213 54 W CA 1.893 59.411 57.345 0.289 0.000 1.274 54 W CB -0.260 29.474 29.460 0.457 0.000 1.148 54 W HN 0.223 nan 8.180 nan 0.000 0.498 55 N N 0.212 118.853 118.700 -0.097 0.000 2.205 55 N HA -0.170 4.545 4.740 -0.043 0.000 0.186 55 N C 1.714 176.975 175.510 -0.414 0.000 1.015 55 N CA 2.448 55.331 53.050 -0.279 0.000 0.862 55 N CB -0.484 37.957 38.487 -0.077 0.000 0.986 55 N HN -0.065 nan 8.380 nan 0.000 0.429 56 S N -1.121 114.255 115.700 -0.541 0.000 2.388 56 S HA 0.023 4.468 4.470 -0.043 0.000 0.223 56 S C 2.025 176.449 174.600 -0.294 0.000 1.034 56 S CA 0.547 58.410 58.200 -0.563 0.000 0.963 56 S CB -0.172 62.589 63.200 -0.732 0.000 0.827 56 S HN 0.152 nan 8.310 nan 0.000 0.481 57 V N 2.130 121.908 119.914 -0.228 0.000 2.332 57 V HA -0.220 3.875 4.120 -0.043 0.000 0.248 57 V C 2.637 178.560 176.094 -0.286 0.000 1.055 57 V CA 1.974 64.184 62.300 -0.149 0.000 1.038 57 V CB -0.721 31.135 31.823 0.055 0.000 0.651 57 V HN 0.374 nan 8.190 nan 0.000 0.450 58 Q N 0.379 119.842 119.800 -0.562 0.000 2.124 58 Q HA -0.159 4.155 4.340 -0.043 0.000 0.202 58 Q C 2.294 178.130 176.000 -0.273 0.000 0.977 58 Q CA 2.144 57.617 55.803 -0.551 0.000 0.850 58 Q CB -0.446 27.818 28.738 -0.791 0.000 0.901 58 Q HN 0.637 nan 8.270 nan 0.000 0.429 59 S N -1.026 114.544 115.700 -0.216 0.000 2.399 59 S HA -0.113 4.332 4.470 -0.043 0.000 0.231 59 S C 1.757 176.312 174.600 -0.074 0.000 1.022 59 S CA 1.110 59.248 58.200 -0.103 0.000 0.983 59 S CB -0.288 62.883 63.200 -0.048 0.000 0.803 59 S HN 0.362 nan 8.310 nan 0.000 0.480 60 V N 1.698 121.559 119.914 -0.089 0.000 2.500 60 V HA -0.021 4.073 4.120 -0.043 0.000 0.243 60 V C 1.811 177.852 176.094 -0.088 0.000 1.039 60 V CA 0.770 63.030 62.300 -0.067 0.000 1.053 60 V CB -0.371 31.424 31.823 -0.048 0.000 0.695 60 V HN 0.280 nan 8.190 nan 0.000 0.463 61 I N 1.365 121.878 120.570 -0.095 0.000 2.032 61 I HA -0.219 3.926 4.170 -0.043 0.000 0.231 61 I C 2.748 178.809 176.117 -0.094 0.000 1.035 61 I CA 2.477 63.726 61.300 -0.086 0.000 1.312 61 I CB -1.847 36.117 38.000 -0.060 0.000 1.041 61 I HN 0.386 nan 8.210 nan 0.000 0.390 62 A N 0.404 123.201 122.820 -0.039 0.000 2.066 62 A HA 0.027 4.321 4.320 -0.043 0.000 0.218 62 A C 2.349 179.992 177.584 0.098 0.000 1.157 62 A CA 1.396 53.476 52.037 0.071 0.000 0.670 62 A CB -1.158 17.888 19.000 0.075 0.000 0.804 62 A HN 0.536 nan 8.150 nan 0.000 0.453 63 G N -0.617 108.185 108.800 0.003 0.000 2.484 63 G HA2 0.125 4.060 3.960 -0.043 0.000 0.218 63 G HA3 0.125 4.060 3.960 -0.043 0.000 0.218 63 G C 1.502 176.393 174.900 -0.015 0.000 1.130 63 G CA 0.893 46.004 45.100 0.018 0.000 0.784 63 G HN 0.726 nan 8.290 nan 0.000 0.543 64 A N 0.352 123.092 122.820 -0.133 0.000 2.194 64 A HA 0.115 4.409 4.320 -0.043 0.000 0.220 64 A C 0.667 178.119 177.584 -0.219 0.000 1.162 64 A CA 0.233 52.148 52.037 -0.205 0.000 0.674 64 A CB -0.534 18.286 19.000 -0.300 0.000 0.789 64 A HN 0.223 nan 8.150 nan 0.000 0.470 65 F N 0.614 120.563 119.950 -0.001 0.000 2.651 65 F HA 0.177 4.682 4.527 -0.036 0.000 0.347 65 F C 1.132 176.927 175.800 -0.007 0.000 1.284 65 F CA -0.721 57.279 58.000 0.000 0.000 1.175 65 F CB -0.086 38.922 39.000 0.013 0.000 1.542 65 F HN 0.096 nan 8.300 nan 0.000 0.661 66 I N 0.405 121.043 120.570 0.113 0.000 2.731 66 I HA -0.025 4.120 4.170 -0.043 0.000 0.235 66 I C 1.867 178.022 176.117 0.063 0.000 1.064 66 I CA 0.953 62.291 61.300 0.064 0.000 1.439 66 I CB -0.640 37.367 38.000 0.011 0.000 1.255 66 I HN 0.366 nan 8.210 nan 0.000 0.446 67 E N 0.611 120.833 120.200 0.036 0.000 2.094 67 E HA 0.077 4.402 4.350 -0.043 0.000 0.193 67 E C 0.748 177.383 176.600 0.058 0.000 0.950 67 E CA 0.281 56.699 56.400 0.030 0.000 0.842 67 E CB 0.037 29.735 29.700 -0.004 0.000 0.816 67 E HN 0.152 nan 8.360 nan 0.000 0.465 68 S N 1.610 117.334 115.700 0.039 0.000 4.139 68 S HA 0.196 4.640 4.470 -0.043 0.000 0.215 68 S C 0.390 175.141 174.600 0.253 0.000 1.390 68 S CA -0.222 58.023 58.200 0.076 0.000 0.885 68 S CB 0.396 63.500 63.200 -0.161 0.000 1.560 68 S HN 0.285 nan 8.310 nan 0.000 0.449 69 G N 2.144 111.092 108.800 0.247 0.000 3.717 69 G HA2 0.322 4.256 3.960 -0.043 0.000 0.258 69 G HA3 0.322 4.256 3.960 -0.043 0.000 0.258 69 G C 0.085 175.011 174.900 0.043 0.000 1.088 69 G CA -0.469 44.777 45.100 0.244 0.000 1.737 69 G HN 0.576 nan 8.290 nan 0.000 0.648 70 I N 1.667 122.396 120.570 0.264 0.000 2.496 70 I HA 0.184 4.328 4.170 -0.043 0.000 0.285 70 I C 0.594 176.769 176.117 0.097 0.000 1.080 70 I CA -0.971 60.443 61.300 0.190 0.000 1.404 70 I CB 0.804 38.991 38.000 0.311 0.000 1.403 70 I HN 0.191 nan 8.210 nan 0.000 0.539 71 R N 7.047 127.543 120.500 -0.008 0.000 2.980 71 R HA 0.052 4.366 4.340 -0.043 0.000 0.285 71 R C -1.514 174.845 176.300 0.099 0.000 1.072 71 R CA -1.932 54.151 56.100 -0.029 0.000 1.203 71 R CB -0.912 29.371 30.300 -0.029 0.000 1.163 71 R HN 0.308 nan 8.270 nan 0.000 0.545 72 P HA -0.142 nan 4.420 nan 0.000 0.222 72 P C 0.788 178.178 177.300 0.149 0.000 1.142 72 P CA 1.206 64.403 63.100 0.162 0.000 0.788 72 P CB 0.069 31.862 31.700 0.155 0.000 0.767 73 E N -1.181 119.085 120.200 0.110 0.000 2.510 73 E HA -0.068 4.256 4.350 -0.043 0.000 0.202 73 E C 0.822 177.476 176.600 0.089 0.000 1.072 73 E CA 0.741 57.193 56.400 0.086 0.000 0.883 73 E CB -0.050 29.682 29.700 0.052 0.000 0.818 73 E HN 0.095 nan 8.360 nan 0.000 0.548 74 A N -0.517 122.379 122.820 0.126 0.000 2.500 74 A HA 0.117 4.412 4.320 -0.043 0.000 0.210 74 A C 1.180 178.877 177.584 0.188 0.000 1.342 74 A CA -0.134 51.973 52.037 0.116 0.000 1.079 74 A CB -0.627 18.376 19.000 0.005 0.000 1.112 74 A HN 0.263 nan 8.150 nan 0.000 0.470 75 I N -1.320 119.404 120.570 0.255 0.000 2.055 75 I HA 0.311 4.455 4.170 -0.043 0.000 0.228 75 I C 1.696 177.956 176.117 0.237 0.000 1.050 75 I CA 0.659 62.147 61.300 0.313 0.000 1.326 75 I CB -1.394 36.800 38.000 0.324 0.000 1.077 75 I HN 0.951 nan 8.210 nan 0.000 0.392 76 A N 0.868 123.796 122.820 0.179 0.000 6.048 76 A HA -0.130 4.164 4.320 -0.043 0.000 0.289 76 A C 1.479 179.078 177.584 0.026 0.000 1.956 76 A CA 1.673 53.771 52.037 0.102 0.000 0.733 76 A CB -2.254 16.823 19.000 0.128 0.000 1.204 76 A HN 2.340 nan 8.150 nan 0.000 0.387 77 G N -2.037 106.714 108.800 -0.083 0.000 2.321 77 G HA2 -0.146 3.788 3.960 -0.043 0.000 0.287 77 G HA3 -0.146 3.788 3.960 -0.043 0.000 0.287 77 G C 0.153 175.034 174.900 -0.031 0.000 1.018 77 G CA 0.726 45.789 45.100 -0.062 0.000 0.855 77 G HN 1.646 nan 8.290 nan 0.000 0.507 78 I N 0.179 120.732 120.570 -0.029 0.000 2.496 78 I HA 0.482 4.626 4.170 -0.043 0.000 0.285 78 I C 1.053 177.123 176.117 -0.078 0.000 1.080 78 I CA 0.574 61.849 61.300 -0.042 0.000 1.404 78 I CB 1.313 39.301 38.000 -0.019 0.000 1.403 78 I HN 0.171 nan 8.210 nan 0.000 0.539 79 G N 7.380 116.120 108.800 -0.101 0.000 3.191 79 G HA2 0.459 4.393 3.960 -0.043 0.000 0.309 79 G HA3 0.459 4.393 3.960 -0.043 0.000 0.309 79 G C -0.466 174.364 174.900 -0.117 0.000 1.596 79 G CA -0.477 44.551 45.100 -0.121 0.000 0.955 79 G HN 0.519 nan 8.290 nan 0.000 0.508 80 I N 1.807 122.328 120.570 -0.082 0.000 2.664 80 I HA 0.038 4.183 4.170 -0.043 0.000 0.284 80 I C 0.493 176.573 176.117 -0.062 0.000 1.154 80 I CA 0.635 61.900 61.300 -0.058 0.000 1.402 80 I CB 0.676 38.662 38.000 -0.024 0.000 1.395 80 I HN 0.209 nan 8.210 nan 0.000 0.545 81 T N 5.887 120.398 114.554 -0.073 0.000 3.315 81 T HA 0.143 4.468 4.350 -0.043 0.000 0.275 81 T C 0.481 175.162 174.700 -0.031 0.000 1.598 81 T CA -0.751 61.301 62.100 -0.079 0.000 1.368 81 T CB -0.798 67.990 68.868 -0.135 0.000 1.079 81 T HN 0.631 nan 8.240 nan 0.000 0.703 82 N N 1.419 120.121 118.700 0.002 0.000 2.263 82 N HA 0.068 4.782 4.740 -0.043 0.000 0.239 82 N C 0.499 176.038 175.510 0.047 0.000 1.317 82 N CA -0.661 52.419 53.050 0.050 0.000 0.909 82 N CB 0.868 39.409 38.487 0.089 0.000 1.171 82 N HN 0.502 nan 8.380 nan 0.000 0.492 83 Q N -0.354 119.507 119.800 0.101 0.000 2.335 83 Q HA 0.265 4.579 4.340 -0.043 0.000 0.180 83 Q C -0.402 175.620 176.000 0.037 0.000 1.101 83 Q CA -0.506 55.361 55.803 0.107 0.000 1.165 83 Q CB 0.467 29.358 28.738 0.254 0.000 1.220 83 Q HN 0.802 nan 8.270 nan 0.000 0.626 84 R N -1.514 118.973 120.500 -0.022 0.000 2.634 84 R HA 0.300 4.614 4.340 -0.043 0.000 0.263 84 R C -0.895 175.336 176.300 -0.116 0.000 1.060 84 R CA -0.331 55.710 56.100 -0.100 0.000 0.898 84 R CB 1.276 31.447 30.300 -0.215 0.000 1.253 84 R HN 0.961 nan 8.270 nan 0.000 0.461 85 E N -0.926 119.255 120.200 -0.032 0.000 4.209 85 E HA -0.170 4.155 4.350 -0.043 0.000 0.398 85 E C -0.530 176.157 176.600 0.146 0.000 0.551 85 E CA 1.530 57.946 56.400 0.026 0.000 1.443 85 E CB -0.853 28.860 29.700 0.021 0.000 1.896 85 E HN 0.723 nan 8.360 nan 0.000 0.371 86 T N 1.360 116.041 114.554 0.212 0.000 2.799 86 T HA 0.208 4.532 4.350 -0.043 0.000 0.296 86 T C -0.194 174.592 174.700 0.144 0.000 0.947 86 T CA 0.538 62.763 62.100 0.207 0.000 1.141 86 T CB 0.575 69.604 68.868 0.269 0.000 0.891 86 T HN 0.049 nan 8.240 nan 0.000 0.533 87 T N 6.215 120.829 114.554 0.099 0.000 2.781 87 T HA 0.445 4.769 4.350 -0.043 0.000 0.305 87 T C 0.081 174.795 174.700 0.023 0.000 1.001 87 T CA -0.559 61.581 62.100 0.066 0.000 0.950 87 T CB 0.554 69.430 68.868 0.014 0.000 0.955 87 T HN 0.476 nan 8.240 nan 0.000 0.471 88 V N 3.722 123.652 119.914 0.026 0.000 2.973 88 V HA 0.687 4.782 4.120 -0.043 0.000 0.314 88 V C 0.250 176.210 176.094 -0.224 0.000 1.066 88 V CA -0.649 61.616 62.300 -0.057 0.000 1.021 88 V CB 1.941 33.721 31.823 -0.071 0.000 1.076 88 V HN 0.563 nan 8.190 nan 0.000 0.462 89 V N 1.564 121.328 119.914 -0.251 0.000 3.130 89 V HA 0.864 4.958 4.120 -0.043 0.000 0.310 89 V C -2.027 173.963 176.094 -0.175 0.000 1.158 89 V CA -0.513 61.471 62.300 -0.527 0.000 1.029 89 V CB 2.424 34.057 31.823 -0.318 0.000 1.057 89 V HN 1.096 nan 8.190 nan 0.000 0.436 90 W N 1.327 122.646 121.300 0.031 0.000 3.363 90 W HA 0.643 5.273 4.660 -0.051 0.000 0.306 90 W C -1.636 174.919 176.519 0.061 0.000 1.253 90 W CA -1.065 56.342 57.345 0.104 0.000 1.195 90 W CB 0.653 30.253 29.460 0.233 0.000 1.366 90 W HN 0.502 nan 8.180 nan 0.000 0.551 91 D N 2.291 122.894 120.400 0.339 0.000 2.347 91 D HA 0.162 4.776 4.640 -0.043 0.000 0.235 91 D C 0.990 177.494 176.300 0.340 0.000 1.149 91 D CA -0.152 53.993 54.000 0.241 0.000 0.850 91 D CB 1.534 42.430 40.800 0.161 0.000 1.061 91 D HN 0.571 nan 8.370 nan 0.000 0.487 92 K N 1.828 122.438 120.400 0.350 0.000 2.062 92 K HA -0.106 4.189 4.320 -0.043 0.000 0.205 92 K C 1.287 178.037 176.600 0.249 0.000 1.051 92 K CA 1.091 57.622 56.287 0.408 0.000 0.941 92 K CB 0.231 32.981 32.500 0.416 0.000 0.719 92 K HN 0.376 nan 8.250 nan 0.000 0.440 93 T N 0.461 115.121 114.554 0.176 0.000 2.643 93 T HA -0.145 4.179 4.350 -0.043 0.000 0.264 93 T C 1.871 176.638 174.700 0.113 0.000 1.045 93 T CA 2.175 64.350 62.100 0.124 0.000 1.155 93 T CB -0.598 68.324 68.868 0.090 0.000 0.863 93 T HN 0.546 nan 8.240 nan 0.000 0.420 94 T N -0.882 113.741 114.554 0.114 0.000 3.072 94 T HA 0.276 4.600 4.350 -0.043 0.000 0.266 94 T C 1.910 176.677 174.700 0.112 0.000 1.127 94 T CA 1.002 63.162 62.100 0.099 0.000 1.107 94 T CB -0.512 68.411 68.868 0.092 0.000 0.910 94 T HN 0.622 nan 8.240 nan 0.000 0.513 95 G N 1.487 110.378 108.800 0.152 0.000 2.184 95 G HA2 -0.269 3.665 3.960 -0.043 0.000 0.264 95 G HA3 -0.269 3.665 3.960 -0.043 0.000 0.264 95 G C -0.112 174.885 174.900 0.161 0.000 0.975 95 G CA 0.298 45.488 45.100 0.151 0.000 0.642 95 G HN 0.982 nan 8.290 nan 0.000 0.536 96 Q N -0.622 119.280 119.800 0.171 0.000 2.309 96 Q HA 0.675 4.989 4.340 -0.043 0.000 0.270 96 Q C -3.015 173.109 176.000 0.207 0.000 1.023 96 Q CA -2.433 53.474 55.803 0.174 0.000 0.758 96 Q CB 2.315 31.130 28.738 0.128 0.000 1.247 96 Q HN 0.069 nan 8.270 nan 0.000 0.455 97 P HA 0.010 nan 4.420 nan 0.000 0.260 97 P C -0.593 176.809 177.300 0.171 0.000 1.207 97 P CA 0.409 63.672 63.100 0.271 0.000 0.780 97 P CB 0.229 32.148 31.700 0.364 0.000 0.789 98 I N 1.397 122.041 120.570 0.124 0.000 2.802 98 I HA 0.768 4.912 4.170 -0.043 0.000 0.307 98 I C 0.028 176.174 176.117 0.049 0.000 1.232 98 I CA -0.508 60.840 61.300 0.081 0.000 1.060 98 I CB 0.198 38.237 38.000 0.065 0.000 1.866 98 I HN 0.140 nan 8.210 nan 0.000 0.568 99 A N 2.896 125.746 122.820 0.050 0.000 2.438 99 A HA 0.646 4.940 4.320 -0.043 0.000 0.301 99 A C -1.270 176.330 177.584 0.026 0.000 1.101 99 A CA -0.785 51.265 52.037 0.022 0.000 0.621 99 A CB 0.996 19.990 19.000 -0.011 0.000 1.350 99 A HN 0.589 nan 8.150 nan 0.000 0.496 100 N N -0.296 118.420 118.700 0.027 0.000 2.717 100 N HA 0.808 5.522 4.740 -0.043 0.000 0.314 100 N C -0.402 175.123 175.510 0.025 0.000 1.324 100 N CA -0.020 53.057 53.050 0.046 0.000 0.902 100 N CB 1.088 39.630 38.487 0.091 0.000 1.126 100 N HN 1.584 nan 8.380 nan 0.000 0.579 101 A N -0.208 122.653 122.820 0.069 0.000 2.446 101 A HA 0.471 4.766 4.320 -0.043 0.000 0.282 101 A C -0.733 176.919 177.584 0.113 0.000 1.102 101 A CA -0.802 51.275 52.037 0.066 0.000 0.737 101 A CB 0.289 19.309 19.000 0.032 0.000 1.212 101 A HN 0.565 nan 8.150 nan 0.000 0.434 102 I N 2.619 123.242 120.570 0.089 0.000 2.813 102 I HA 0.179 4.323 4.170 -0.043 0.000 0.287 102 I C 0.777 176.916 176.117 0.038 0.000 1.196 102 I CA 0.297 61.638 61.300 0.068 0.000 1.421 102 I CB 0.382 38.429 38.000 0.078 0.000 1.365 102 I HN 0.515 nan 8.210 nan 0.000 0.591 103 V N 4.311 124.196 119.914 -0.049 0.000 2.769 103 V HA 0.446 4.540 4.120 -0.043 0.000 0.312 103 V C 0.565 176.640 176.094 -0.032 0.000 1.058 103 V CA -0.933 61.285 62.300 -0.137 0.000 0.952 103 V CB 1.903 33.477 31.823 -0.413 0.000 1.019 103 V HN 0.934 nan 8.190 nan 0.000 0.445 104 W N 3.097 124.399 121.300 0.005 0.000 3.391 104 W HA 0.213 4.866 4.660 -0.011 0.000 0.275 104 W C 0.177 176.625 176.519 -0.117 0.000 1.318 104 W CA 0.222 57.639 57.345 0.119 0.000 1.665 104 W CB -0.545 28.991 29.460 0.125 0.000 1.078 104 W HN 0.895 nan 8.180 nan 0.000 0.732 105 Q N 0.644 120.101 119.800 -0.570 0.000 2.055 105 Q HA 0.311 4.626 4.340 -0.043 0.000 0.226 105 Q C -0.539 175.275 176.000 -0.310 0.000 0.805 105 Q CA -0.172 55.110 55.803 -0.869 0.000 1.072 105 Q CB 0.235 28.258 28.738 -1.192 0.000 1.219 105 Q HN -0.022 nan 8.270 nan 0.000 0.451 106 S N 1.117 116.740 115.700 -0.128 0.000 2.776 106 S HA 0.335 4.780 4.470 -0.043 0.000 0.284 106 S C -0.715 173.901 174.600 0.028 0.000 1.160 106 S CA -0.748 57.445 58.200 -0.012 0.000 1.051 106 S CB 1.548 64.660 63.200 -0.146 0.000 1.037 106 S HN 0.300 nan 8.310 nan 0.000 0.485 107 R N 2.792 123.335 120.500 0.071 0.000 4.860 107 R HA 0.040 4.354 4.340 -0.043 0.000 0.191 107 R C 1.333 177.523 176.300 -0.183 0.000 1.936 107 R CA -0.041 56.061 56.100 0.004 0.000 1.609 107 R CB -0.291 29.988 30.300 -0.035 0.000 1.392 107 R HN 0.729 nan 8.270 nan 0.000 0.844 108 Q N -1.146 118.452 119.800 -0.337 0.000 2.322 108 Q HA 0.058 4.372 4.340 -0.043 0.000 0.203 108 Q C 0.185 175.713 176.000 -0.787 0.000 0.923 108 Q CA 0.357 55.708 55.803 -0.754 0.000 0.949 108 Q CB 0.682 28.780 28.738 -1.068 0.000 1.039 108 Q HN 0.194 nan 8.270 nan 0.000 0.496 109 S N 0.089 115.535 115.700 -0.425 0.000 2.503 109 S HA 0.028 4.473 4.470 -0.043 0.000 0.217 109 S C 1.648 176.098 174.600 -0.249 0.000 0.999 109 S CA 0.212 58.218 58.200 -0.324 0.000 0.914 109 S CB 0.255 63.366 63.200 -0.149 0.000 0.782 109 S HN 0.353 nan 8.310 nan 0.000 0.520 110 S N 2.808 118.373 115.700 -0.224 0.000 2.440 110 S HA -0.037 4.407 4.470 -0.043 0.000 0.240 110 S C -0.851 173.671 174.600 -0.130 0.000 1.014 110 S CA 1.040 59.154 58.200 -0.144 0.000 0.980 110 S CB -1.174 61.957 63.200 -0.115 0.000 0.775 110 S HN 0.400 nan 8.310 nan 0.000 0.499 111 P HA 0.067 nan 4.420 nan 0.000 0.219 111 P C 1.357 178.629 177.300 -0.048 0.000 1.150 111 P CA 0.827 63.860 63.100 -0.112 0.000 0.814 111 P CB 0.140 31.734 31.700 -0.177 0.000 0.787 112 I N -2.571 117.964 120.570 -0.058 0.000 3.673 112 I HA 0.138 4.283 4.170 -0.043 0.000 0.281 112 I C 1.854 177.962 176.117 -0.015 0.000 1.182 112 I CA 0.421 61.718 61.300 -0.005 0.000 1.391 112 I CB -0.175 37.853 38.000 0.048 0.000 1.383 112 I HN -0.243 nan 8.210 nan 0.000 0.456 113 A N 0.735 123.533 122.820 -0.037 0.000 1.958 113 A HA -0.315 3.979 4.320 -0.043 0.000 0.221 113 A C 1.633 179.202 177.584 -0.026 0.000 1.178 113 A CA 2.661 54.676 52.037 -0.037 0.000 0.642 113 A CB -1.053 17.912 19.000 -0.058 0.000 0.816 113 A HN 0.585 nan 8.150 nan 0.000 0.453 114 D N -0.712 119.672 120.400 -0.028 0.000 2.219 114 D HA -0.147 4.468 4.640 -0.043 0.000 0.205 114 D C 2.225 178.527 176.300 0.004 0.000 0.970 114 D CA 1.475 55.466 54.000 -0.016 0.000 0.851 114 D CB -0.200 40.587 40.800 -0.020 0.000 0.943 114 D HN 0.878 nan 8.370 nan 0.000 0.488 115 Q N 0.424 120.229 119.800 0.008 0.000 2.311 115 Q HA -0.061 4.253 4.340 -0.043 0.000 0.203 115 Q C 1.854 177.875 176.000 0.036 0.000 0.954 115 Q CA 0.766 56.580 55.803 0.019 0.000 0.885 115 Q CB -0.204 28.545 28.738 0.018 0.000 0.963 115 Q HN 0.426 nan 8.270 nan 0.000 0.471 116 L N -1.741 119.503 121.223 0.035 0.000 2.253 116 L HA 0.291 4.605 4.340 -0.043 0.000 0.205 116 L C 1.624 178.589 176.870 0.160 0.000 1.078 116 L CA 0.559 55.429 54.840 0.050 0.000 0.805 116 L CB -0.243 41.809 42.059 -0.012 0.000 0.963 116 L HN -0.150 nan 8.230 nan 0.000 0.459 117 K N 0.821 121.303 120.400 0.137 0.000 1.993 117 K HA 0.037 4.331 4.320 -0.043 0.000 0.222 117 K C 1.516 178.213 176.600 0.162 0.000 1.021 117 K CA 1.680 58.100 56.287 0.223 0.000 1.023 117 K CB -0.641 31.909 32.500 0.084 0.000 0.799 117 K HN 0.088 nan 8.250 nan 0.000 0.444 118 V N 0.172 120.104 119.914 0.031 0.000 0.660 118 V HA -0.412 3.683 4.120 -0.043 0.000 0.092 118 V C 0.612 176.625 176.094 -0.136 0.000 1.212 118 V CA 2.254 64.534 62.300 -0.033 0.000 3.197 118 V CB -1.458 30.359 31.823 -0.010 0.000 0.416 118 V HN 0.586 nan 8.190 nan 0.000 0.405 119 D N 1.011 121.262 120.400 -0.248 0.000 2.362 119 D HA 0.284 4.898 4.640 -0.043 0.000 0.238 119 D C 1.465 177.448 176.300 -0.528 0.000 1.212 119 D CA 0.902 54.684 54.000 -0.364 0.000 0.902 119 D CB 0.534 41.134 40.800 -0.333 0.000 1.180 119 D HN 0.692 nan 8.370 nan 0.000 0.445 120 G N 1.405 110.022 108.800 -0.306 0.000 2.984 120 G HA2 -0.392 3.542 3.960 -0.043 0.000 0.239 120 G HA3 -0.392 3.542 3.960 -0.043 0.000 0.239 120 G C 1.171 175.980 174.900 -0.152 0.000 1.090 120 G CA 1.947 46.935 45.100 -0.187 0.000 0.731 120 G HN 0.829 nan 8.290 nan 0.000 0.659 121 H N -0.591 118.477 119.070 -0.003 0.000 2.541 121 H HA -0.035 4.496 4.556 -0.043 0.000 0.289 121 H C 2.248 177.574 175.328 -0.004 0.000 1.054 121 H CA 1.388 57.433 56.048 -0.004 0.000 1.250 121 H CB -0.802 28.955 29.762 -0.008 0.000 1.369 121 H HN 0.372 nan 8.280 nan 0.000 0.578 122 T N 1.646 116.237 114.554 0.062 0.000 2.643 122 T HA -0.144 4.180 4.350 -0.043 0.000 0.264 122 T C 1.708 176.439 174.700 0.052 0.000 1.045 122 T CA 1.906 64.049 62.100 0.072 0.000 1.155 122 T CB -0.113 68.753 68.868 -0.002 0.000 0.863 122 T HN 0.448 nan 8.240 nan 0.000 0.420 123 E N 0.990 121.213 120.200 0.037 0.000 2.152 123 E HA 0.063 4.387 4.350 -0.043 0.000 0.192 123 E C 2.030 178.680 176.600 0.084 0.000 0.983 123 E CA 0.295 56.740 56.400 0.075 0.000 0.818 123 E CB -0.443 29.293 29.700 0.061 0.000 0.758 123 E HN 0.403 nan 8.360 nan 0.000 0.467 124 M N 0.697 120.332 119.600 0.058 0.000 2.270 124 M HA -0.330 4.124 4.480 -0.043 0.000 0.254 124 M C 2.259 178.584 176.300 0.042 0.000 1.072 124 M CA 1.958 57.287 55.300 0.048 0.000 1.077 124 M CB -0.277 32.363 32.600 0.066 0.000 1.288 124 M HN 0.337 nan 8.290 nan 0.000 0.424 125 I N -1.191 119.414 120.570 0.057 0.000 2.179 125 I HA -0.348 3.797 4.170 -0.043 0.000 0.242 125 I C 2.294 178.449 176.117 0.063 0.000 1.088 125 I CA 2.310 63.638 61.300 0.047 0.000 1.357 125 I CB -0.365 37.662 38.000 0.044 0.000 1.051 125 I HN 0.508 nan 8.210 nan 0.000 0.409 126 H N 1.495 120.571 119.070 0.010 0.000 2.284 126 H HA -0.204 4.326 4.556 -0.044 0.000 0.304 126 H C 2.164 177.509 175.328 0.027 0.000 1.069 126 H CA 2.177 58.238 56.048 0.021 0.000 1.327 126 H CB -0.322 29.449 29.762 0.016 0.000 1.387 126 H HN 0.519 nan 8.280 nan 0.000 0.498 127 E N -0.320 119.850 120.200 -0.050 0.000 2.333 127 E HA -0.219 4.105 4.350 -0.043 0.000 0.200 127 E C 1.443 177.962 176.600 -0.134 0.000 1.010 127 E CA 1.344 57.683 56.400 -0.102 0.000 0.841 127 E CB 0.042 29.750 29.700 0.013 0.000 0.757 127 E HN 0.298 nan 8.360 nan 0.000 0.508 128 K N 0.012 120.344 120.400 -0.114 0.000 2.273 128 K HA 0.159 4.453 4.320 -0.043 0.000 0.206 128 K C 2.044 178.574 176.600 -0.117 0.000 1.072 128 K CA 1.328 57.548 56.287 -0.111 0.000 0.953 128 K CB -0.083 32.369 32.500 -0.080 0.000 1.043 128 K HN 0.018 nan 8.250 nan 0.000 0.477 129 T N -1.252 113.266 114.554 -0.059 0.000 2.781 129 T HA 0.156 4.480 4.350 -0.043 0.000 0.252 129 T C 1.323 176.053 174.700 0.051 0.000 1.039 129 T CA 1.401 63.536 62.100 0.058 0.000 1.147 129 T CB -0.078 68.833 68.868 0.072 0.000 0.865 129 T HN 0.408 nan 8.240 nan 0.000 0.423 130 G N 0.254 109.021 108.800 -0.056 0.000 3.465 130 G HA2 -0.079 3.855 3.960 -0.043 0.000 0.196 130 G HA3 -0.079 3.855 3.960 -0.043 0.000 0.196 130 G C -0.108 174.893 174.900 0.169 0.000 1.170 130 G CA -0.230 44.846 45.100 -0.041 0.000 0.887 130 G HN 0.412 nan 8.290 nan 0.000 0.444 131 L N 1.373 122.677 121.223 0.135 0.000 2.474 131 L HA 0.763 5.078 4.340 -0.043 0.000 0.259 131 L C 0.459 177.470 176.870 0.235 0.000 1.232 131 L CA 0.078 55.019 54.840 0.168 0.000 0.821 131 L CB 1.530 43.601 42.059 0.020 0.000 1.108 131 L HN 0.748 nan 8.230 nan 0.000 0.495 132 V N 3.132 123.150 119.914 0.172 0.000 3.087 132 V HA 0.381 4.475 4.120 -0.043 0.000 0.306 132 V C -0.153 175.925 176.094 -0.026 0.000 1.187 132 V CA -0.800 61.507 62.300 0.011 0.000 0.999 132 V CB 2.217 33.882 31.823 -0.264 0.000 1.049 132 V HN 0.593 nan 8.190 nan 0.000 0.431 133 I N 3.634 124.159 120.570 -0.074 0.000 2.710 133 I HA 0.066 4.210 4.170 -0.043 0.000 0.307 133 I C 0.194 176.142 176.117 -0.281 0.000 1.175 133 I CA 0.497 61.745 61.300 -0.087 0.000 2.125 133 I CB -0.586 37.375 38.000 -0.065 0.000 1.576 133 I HN 0.568 nan 8.210 nan 0.000 0.995 134 D N 4.555 124.612 120.400 -0.572 0.000 2.608 134 D HA 0.354 4.968 4.640 -0.043 0.000 0.224 134 D C 1.296 177.246 176.300 -0.584 0.000 1.123 134 D CA 0.698 54.198 54.000 -0.833 0.000 1.030 134 D CB 0.430 40.384 40.800 -1.410 0.000 1.093 134 D HN 0.575 nan 8.370 nan 0.000 0.497 135 A N 2.723 125.387 122.820 -0.260 0.000 1.363 135 A HA -0.391 3.903 4.320 -0.043 0.000 0.385 135 A C 1.692 179.253 177.584 -0.037 0.000 5.474 135 A CA 2.622 54.597 52.037 -0.103 0.000 1.081 135 A CB -2.082 16.898 19.000 -0.033 0.000 1.371 135 A HN 0.834 nan 8.150 nan 0.000 0.692 136 Y N -1.366 118.870 120.300 -0.107 0.000 2.665 136 Y HA 0.500 5.016 4.550 -0.056 0.000 0.320 136 Y C 0.632 176.641 175.900 0.182 0.000 1.204 136 Y CA 0.008 58.118 58.100 0.017 0.000 1.315 136 Y CB -0.794 37.718 38.460 0.087 0.000 1.033 136 Y HN 0.312 nan 8.280 nan 0.000 0.509 137 F N 2.031 121.760 119.950 -0.368 0.000 2.619 137 F HA 0.112 4.612 4.527 -0.045 0.000 0.350 137 F C 1.371 177.057 175.800 -0.189 0.000 1.259 137 F CA -0.561 57.217 58.000 -0.370 0.000 1.204 137 F CB 0.090 38.880 39.000 -0.349 0.000 1.556 137 F HN 0.319 nan 8.300 nan 0.000 0.650 138 S N 1.917 117.650 115.700 0.055 0.000 4.068 138 S HA -0.474 3.970 4.470 -0.043 0.000 0.537 138 S C 2.095 176.675 174.600 -0.034 0.000 1.015 138 S CA 1.996 60.201 58.200 0.008 0.000 3.453 138 S CB -1.196 61.987 63.200 -0.029 0.000 2.268 138 S HN 0.771 nan 8.310 nan 0.000 0.463 139 A N 0.849 123.630 122.820 -0.065 0.000 1.903 139 A HA -0.222 4.073 4.320 -0.043 0.000 0.219 139 A C 2.301 179.832 177.584 -0.088 0.000 1.191 139 A CA 3.191 55.163 52.037 -0.108 0.000 0.638 139 A CB -1.651 17.285 19.000 -0.107 0.000 0.823 139 A HN 0.766 nan 8.150 nan 0.000 0.451 140 T N 0.203 114.730 114.554 -0.044 0.000 2.720 140 T HA -0.173 4.151 4.350 -0.043 0.000 0.268 140 T C 1.816 176.500 174.700 -0.027 0.000 1.037 140 T CA 1.769 63.846 62.100 -0.038 0.000 1.144 140 T CB -0.288 68.560 68.868 -0.033 0.000 0.864 140 T HN 0.647 nan 8.240 nan 0.000 0.444 141 K N 0.882 121.275 120.400 -0.012 0.000 2.147 141 K HA -0.021 4.274 4.320 -0.043 0.000 0.205 141 K C 2.281 178.908 176.600 0.044 0.000 1.049 141 K CA 0.884 57.183 56.287 0.019 0.000 0.936 141 K CB -0.500 32.020 32.500 0.033 0.000 0.722 141 K HN 0.200 nan 8.250 nan 0.000 0.446 142 V N 1.761 121.644 119.914 -0.051 0.000 2.469 142 V HA -0.221 3.873 4.120 -0.043 0.000 0.251 142 V C 1.991 178.026 176.094 -0.100 0.000 1.064 142 V CA 1.563 63.783 62.300 -0.135 0.000 1.066 142 V CB -0.627 31.003 31.823 -0.321 0.000 0.667 142 V HN 0.286 nan 8.190 nan 0.000 0.461 143 R N -1.616 118.853 120.500 -0.051 0.000 2.341 143 R HA -0.179 4.135 4.340 -0.043 0.000 0.213 143 R C 1.915 178.235 176.300 0.034 0.000 1.082 143 R CA 1.638 57.721 56.100 -0.030 0.000 1.017 143 R CB -0.189 30.098 30.300 -0.021 0.000 0.860 143 R HN 0.774 nan 8.270 nan 0.000 0.473 144 W N -0.347 120.881 121.300 -0.120 0.000 3.033 144 W HA 0.066 4.699 4.660 -0.045 0.000 0.250 144 W C 1.533 177.991 176.519 -0.101 0.000 1.105 144 W CA -0.282 56.995 57.345 -0.113 0.000 1.655 144 W CB -0.389 28.981 29.460 -0.150 0.000 1.001 144 W HN -0.126 nan 8.180 nan 0.000 0.653 145 L N 1.975 123.107 121.223 -0.152 0.000 1.978 145 L HA -0.149 4.166 4.340 -0.043 0.000 0.218 145 L C 1.570 178.182 176.870 -0.430 0.000 1.075 145 L CA 2.120 56.733 54.840 -0.378 0.000 0.767 145 L CB -1.196 40.816 42.059 -0.078 0.000 0.890 145 L HN 0.089 nan 8.230 nan 0.000 0.434 146 L N -0.276 120.780 121.223 -0.278 0.000 2.873 146 L HA 0.048 4.362 4.340 -0.043 0.000 0.252 146 L C 0.413 177.151 176.870 -0.221 0.000 1.266 146 L CA 0.131 54.839 54.840 -0.221 0.000 1.111 146 L CB -0.992 40.973 42.059 -0.158 0.000 1.440 146 L HN 0.399 nan 8.230 nan 0.000 0.427 147 D N -1.157 119.051 120.400 -0.319 0.000 3.018 147 D HA -0.058 4.556 4.640 -0.043 0.000 0.198 147 D C 1.676 177.812 176.300 -0.273 0.000 1.474 147 D CA 0.448 54.291 54.000 -0.261 0.000 1.429 147 D CB 0.125 40.778 40.800 -0.245 0.000 1.289 147 D HN 0.307 nan 8.370 nan 0.000 0.310 148 N N 1.053 119.504 118.700 -0.415 0.000 2.188 148 N HA -0.057 4.657 4.740 -0.043 0.000 0.184 148 N C 0.159 175.528 175.510 -0.235 0.000 1.018 148 N CA 0.727 53.600 53.050 -0.295 0.000 0.858 148 N CB -0.116 38.183 38.487 -0.314 0.000 0.989 148 N HN 0.160 nan 8.380 nan 0.000 0.426 149 I N 1.837 122.216 120.570 -0.319 0.000 2.347 149 I HA 0.077 4.221 4.170 -0.043 0.000 0.294 149 I C -0.303 175.733 176.117 -0.135 0.000 1.090 149 I CA -0.108 61.075 61.300 -0.196 0.000 1.314 149 I CB 0.007 37.880 38.000 -0.212 0.000 1.423 149 I HN 0.225 nan 8.210 nan 0.000 0.503 150 E N 4.292 124.443 120.200 -0.081 0.000 6.822 150 E HA -0.132 4.193 4.350 -0.043 0.000 0.220 150 E C 0.033 176.598 176.600 -0.059 0.000 1.203 150 E CA 0.483 56.850 56.400 -0.054 0.000 1.484 150 E CB -0.529 29.146 29.700 -0.042 0.000 0.945 150 E HN 0.942 nan 8.360 nan 0.000 0.289 151 G N 1.733 110.507 108.800 -0.044 0.000 2.428 151 G HA2 0.418 4.352 3.960 -0.043 0.000 0.293 151 G HA3 0.418 4.352 3.960 -0.043 0.000 0.293 151 G C 0.457 175.339 174.900 -0.030 0.000 1.059 151 G CA 0.370 45.447 45.100 -0.040 0.000 1.194 151 G HN 0.769 nan 8.290 nan 0.000 0.435 152 A N 2.917 125.716 122.820 -0.035 0.000 3.224 152 A HA 0.374 4.668 4.320 -0.043 0.000 0.198 152 A C 1.074 178.642 177.584 -0.027 0.000 1.080 152 A CA -0.173 51.850 52.037 -0.024 0.000 1.184 152 A CB -0.140 18.850 19.000 -0.017 0.000 1.277 152 A HN 0.479 nan 8.150 nan 0.000 0.680 153 Q N 0.706 120.487 119.800 -0.032 0.000 2.045 153 Q HA -0.214 4.100 4.340 -0.043 0.000 0.206 153 Q C 1.605 177.594 176.000 -0.019 0.000 0.991 153 Q CA 2.591 58.375 55.803 -0.031 0.000 0.851 153 Q CB -0.213 28.506 28.738 -0.032 0.000 0.911 153 Q HN 0.839 nan 8.270 nan 0.000 0.418 154 E N 0.256 120.448 120.200 -0.014 0.000 2.118 154 E HA -0.197 4.128 4.350 -0.043 0.000 0.195 154 E C 1.864 178.461 176.600 -0.005 0.000 0.992 154 E CA 1.055 57.450 56.400 -0.008 0.000 0.804 154 E CB -0.101 29.596 29.700 -0.005 0.000 0.741 154 E HN 0.319 nan 8.360 nan 0.000 0.458 155 K N 0.524 120.920 120.400 -0.005 0.000 2.097 155 K HA -0.102 4.192 4.320 -0.043 0.000 0.206 155 K C 2.182 178.780 176.600 -0.003 0.000 1.049 155 K CA 0.983 57.270 56.287 -0.001 0.000 0.933 155 K CB -0.148 32.353 32.500 0.001 0.000 0.717 155 K HN 0.048 nan 8.250 nan 0.000 0.442 156 A N 1.986 124.800 122.820 -0.009 0.000 2.076 156 A HA -0.215 4.080 4.320 -0.043 0.000 0.220 156 A C 1.492 179.075 177.584 -0.001 0.000 1.160 156 A CA 1.723 53.755 52.037 -0.008 0.000 0.653 156 A CB -0.310 18.683 19.000 -0.012 0.000 0.801 156 A HN 0.207 nan 8.150 nan 0.000 0.455 157 D N 0.575 120.974 120.400 -0.002 0.000 2.097 157 D HA -0.084 4.531 4.640 -0.043 0.000 0.197 157 D C 0.434 176.731 176.300 -0.005 0.000 0.984 157 D CA 0.882 54.881 54.000 -0.001 0.000 0.826 157 D CB -0.385 40.414 40.800 -0.002 0.000 0.973 157 D HN 0.361 nan 8.370 nan 0.000 0.460 158 N N 0.736 119.436 118.700 -0.001 0.000 2.878 158 N HA 0.137 4.851 4.740 -0.043 0.000 0.282 158 N C 1.342 176.854 175.510 0.004 0.000 1.284 158 N CA 0.549 53.600 53.050 0.002 0.000 1.053 158 N CB 0.812 39.304 38.487 0.009 0.000 1.382 158 N HN 0.235 nan 8.380 nan 0.000 0.529 159 G N 1.602 110.395 108.800 -0.012 0.000 5.431 159 G HA2 -0.491 3.443 3.960 -0.043 0.000 0.322 159 G HA3 -0.491 3.443 3.960 -0.043 0.000 0.322 159 G C 0.411 175.298 174.900 -0.022 0.000 1.370 159 G CA 1.150 46.236 45.100 -0.024 0.000 0.963 159 G HN 0.458 nan 8.290 nan 0.000 0.797 160 E N -0.863 119.345 120.200 0.013 0.000 3.673 160 E HA -0.339 3.985 4.350 -0.043 0.000 0.332 160 E C 1.022 177.628 176.600 0.009 0.000 1.360 160 E CA 2.316 58.728 56.400 0.021 0.000 1.757 160 E CB -1.542 28.160 29.700 0.004 0.000 1.646 160 E HN 1.627 nan 8.360 nan 0.000 0.353 161 L N 1.287 122.479 121.223 -0.052 0.000 2.407 161 L HA 0.462 4.777 4.340 -0.043 0.000 0.261 161 L C -0.168 176.512 176.870 -0.317 0.000 1.108 161 L CA -1.144 53.612 54.840 -0.140 0.000 0.995 161 L CB 0.634 42.626 42.059 -0.111 0.000 1.349 161 L HN 0.068 nan 8.230 nan 0.000 0.423 162 L N 3.864 124.818 121.223 -0.448 0.000 2.584 162 L HA 0.134 4.449 4.340 -0.043 0.000 0.272 162 L C 0.336 176.527 176.870 -1.133 0.000 1.195 162 L CA 0.733 55.161 54.840 -0.685 0.000 0.920 162 L CB -0.598 41.129 42.059 -0.552 0.000 1.173 162 L HN 0.596 nan 8.230 nan 0.000 0.489 163 F N 0.870 120.375 119.950 -0.742 0.000 2.380 163 F HA 0.877 5.376 4.527 -0.047 0.000 0.321 163 F C 0.526 175.990 175.800 -0.560 0.000 1.103 163 F CA -0.945 56.629 58.000 -0.711 0.000 1.067 163 F CB 1.427 40.210 39.000 -0.363 0.000 1.265 163 F HN 0.518 nan 8.300 nan 0.000 0.517 164 G N 0.157 108.900 108.800 -0.095 0.000 2.411 164 G HA2 0.395 4.329 3.960 -0.043 0.000 0.295 164 G HA3 0.395 4.329 3.960 -0.043 0.000 0.295 164 G C -1.309 173.731 174.900 0.234 0.000 1.542 164 G CA -0.446 44.741 45.100 0.145 0.000 0.814 164 G HN 0.918 nan 8.290 nan 0.000 0.557 165 T N -0.287 114.423 114.554 0.259 0.000 2.698 165 T HA 0.238 4.562 4.350 -0.043 0.000 0.295 165 T C 1.972 176.866 174.700 0.322 0.000 1.007 165 T CA 0.221 62.457 62.100 0.226 0.000 0.980 165 T CB 0.366 69.323 68.868 0.149 0.000 1.036 165 T HN 0.749 nan 8.240 nan 0.000 0.526 166 I N 0.679 121.420 120.570 0.285 0.000 2.248 166 I HA -0.243 3.901 4.170 -0.043 0.000 0.248 166 I C 1.679 178.033 176.117 0.396 0.000 1.107 166 I CA 2.260 63.785 61.300 0.376 0.000 1.373 166 I CB -0.299 37.876 38.000 0.292 0.000 1.055 166 I HN 0.733 nan 8.210 nan 0.000 0.418 167 D N 0.606 121.164 120.400 0.263 0.000 2.103 167 D HA -0.206 4.408 4.640 -0.043 0.000 0.190 167 D C 2.259 178.711 176.300 0.253 0.000 0.997 167 D CA 2.026 56.148 54.000 0.204 0.000 0.833 167 D CB -0.266 40.614 40.800 0.133 0.000 0.961 167 D HN 0.307 nan 8.370 nan 0.000 0.447 168 S N -0.294 115.600 115.700 0.324 0.000 2.469 168 S HA -0.142 4.302 4.470 -0.043 0.000 0.238 168 S C 1.392 176.248 174.600 0.426 0.000 0.998 168 S CA 0.476 58.918 58.200 0.402 0.000 0.957 168 S CB -0.301 63.175 63.200 0.460 0.000 0.764 168 S HN 0.459 nan 8.310 nan 0.000 0.514 169 W N 3.280 124.744 121.300 0.272 0.000 2.587 169 W HA -0.072 4.555 4.660 -0.054 0.000 0.307 169 W C 1.677 178.184 176.519 -0.020 0.000 1.138 169 W CA 0.723 58.144 57.345 0.126 0.000 1.450 169 W CB -0.636 29.035 29.460 0.352 0.000 1.149 169 W HN 0.331 nan 8.180 nan 0.000 0.512 170 L N 1.444 122.549 121.223 -0.196 0.000 2.013 170 L HA -0.220 4.094 4.340 -0.043 0.000 0.212 170 L C 2.244 178.915 176.870 -0.332 0.000 1.073 170 L CA 2.499 57.139 54.840 -0.332 0.000 0.753 170 L CB -2.001 40.112 42.059 0.091 0.000 0.890 170 L HN -0.070 nan 8.230 nan 0.000 0.432 171 V N -1.261 118.586 119.914 -0.111 0.000 2.261 171 V HA -0.266 3.828 4.120 -0.043 0.000 0.246 171 V C 2.375 178.372 176.094 -0.162 0.000 1.047 171 V CA 2.192 64.460 62.300 -0.054 0.000 1.015 171 V CB -1.095 30.803 31.823 0.125 0.000 0.642 171 V HN 0.657 nan 8.190 nan 0.000 0.446 172 W N 1.155 122.222 121.300 -0.389 0.000 2.315 172 W HA -0.199 4.434 4.660 -0.046 0.000 0.323 172 W C 2.018 178.128 176.519 -0.682 0.000 1.233 172 W CA 2.011 59.044 57.345 -0.521 0.000 1.267 172 W CB -0.074 28.954 29.460 -0.720 0.000 1.160 172 W HN -0.011 nan 8.180 nan 0.000 0.474 173 K N 0.341 120.260 120.400 -0.801 0.000 2.827 173 K HA 0.179 4.473 4.320 -0.043 0.000 0.222 173 K C 1.350 177.164 176.600 -1.310 0.000 1.114 173 K CA -0.026 55.608 56.287 -1.089 0.000 1.206 173 K CB -0.613 31.082 32.500 -1.342 0.000 1.035 173 K HN 0.174 nan 8.250 nan 0.000 0.464 174 L N -0.825 119.873 121.223 -0.875 0.000 1.993 174 L HA 0.005 4.319 4.340 -0.043 0.000 0.206 174 L C 0.107 176.772 176.870 -0.341 0.000 1.074 174 L CA 1.134 55.616 54.840 -0.596 0.000 0.746 174 L CB 0.275 42.083 42.059 -0.418 0.000 0.896 174 L HN 0.162 nan 8.230 nan 0.000 0.435 175 T N -1.895 112.426 114.554 -0.389 0.000 2.901 175 T HA 0.288 4.613 4.350 -0.043 0.000 0.293 175 T C -1.364 173.151 174.700 -0.307 0.000 1.084 175 T CA -0.686 61.265 62.100 -0.249 0.000 1.008 175 T CB 2.216 70.972 68.868 -0.187 0.000 1.170 175 T HN -0.103 nan 8.240 nan 0.000 0.509 176 D N 0.343 120.597 120.400 -0.243 0.000 2.256 176 D HA 0.605 5.219 4.640 -0.043 0.000 0.240 176 D C -0.118 176.008 176.300 -0.289 0.000 1.062 176 D CA 0.389 54.193 54.000 -0.326 0.000 0.832 176 D CB 1.304 41.903 40.800 -0.335 0.000 1.135 176 D HN 1.026 nan 8.370 nan 0.000 0.484 177 G N 1.967 110.517 108.800 -0.417 0.000 2.542 177 G HA2 0.370 4.305 3.960 -0.043 0.000 0.391 177 G HA3 0.370 4.305 3.960 -0.043 0.000 0.391 177 G C -1.260 173.405 174.900 -0.393 0.000 1.551 177 G CA -0.779 44.070 45.100 -0.419 0.000 0.946 177 G HN 0.529 nan 8.290 nan 0.000 0.662 178 Q N -0.792 118.711 119.800 -0.496 0.000 3.011 178 Q HA 0.608 4.922 4.340 -0.043 0.000 0.299 178 Q C -1.450 174.445 176.000 -0.174 0.000 0.891 178 Q CA -0.304 55.338 55.803 -0.268 0.000 0.792 178 Q CB 1.715 30.387 28.738 -0.110 0.000 1.601 178 Q HN 1.687 nan 8.270 nan 0.000 0.462 179 V N 1.553 121.469 119.914 0.003 0.000 2.617 179 V HA 0.430 4.524 4.120 -0.043 0.000 0.298 179 V C -0.486 175.715 176.094 0.177 0.000 1.048 179 V CA -0.206 62.121 62.300 0.044 0.000 0.964 179 V CB 1.146 32.977 31.823 0.013 0.000 1.004 179 V HN 0.819 nan 8.190 nan 0.000 0.466 180 H N 4.923 124.165 119.070 0.286 0.000 3.629 180 H HA 0.260 4.789 4.556 -0.044 0.000 0.245 180 H C 0.283 175.736 175.328 0.210 0.000 1.599 180 H CA 0.001 56.176 56.048 0.212 0.000 1.557 180 H CB -0.373 29.452 29.762 0.105 0.000 1.823 180 H HN 0.606 nan 8.280 nan 0.000 0.614 181 V N 0.880 120.985 119.914 0.319 0.000 2.904 181 V HA 0.595 4.689 4.120 -0.043 0.000 0.305 181 V C 0.514 176.746 176.094 0.230 0.000 1.067 181 V CA -0.533 61.926 62.300 0.265 0.000 1.044 181 V CB 2.002 33.991 31.823 0.276 0.000 1.050 181 V HN 0.506 nan 8.190 nan 0.000 0.475 182 T N 1.730 116.389 114.554 0.175 0.000 2.647 182 T HA 0.546 4.870 4.350 -0.043 0.000 0.295 182 T C -1.500 173.208 174.700 0.013 0.000 1.126 182 T CA -0.328 61.828 62.100 0.092 0.000 1.040 182 T CB 1.802 70.715 68.868 0.075 0.000 1.472 182 T HN 1.100 nan 8.240 nan 0.000 0.500 183 D N -0.799 119.562 120.400 -0.064 0.000 2.661 183 D HA 0.258 4.872 4.640 -0.043 0.000 0.228 183 D C 0.351 176.617 176.300 -0.058 0.000 1.183 183 D CA -0.766 53.174 54.000 -0.100 0.000 0.844 183 D CB 0.986 41.732 40.800 -0.090 0.000 1.555 183 D HN 0.625 nan 8.370 nan 0.000 0.453 184 Y N 0.820 121.060 120.300 -0.099 0.000 2.040 184 Y HA -0.316 4.207 4.550 -0.046 0.000 0.275 184 Y C 2.847 178.664 175.900 -0.138 0.000 1.171 184 Y CA 1.408 59.440 58.100 -0.113 0.000 1.123 184 Y CB -0.285 38.138 38.460 -0.061 0.000 0.963 184 Y HN 0.350 nan 8.280 nan 0.000 0.493 185 S N 0.562 116.310 115.700 0.079 0.000 2.378 185 S HA -0.264 4.181 4.470 -0.043 0.000 0.229 185 S C 1.495 176.045 174.600 -0.084 0.000 1.052 185 S CA 2.000 60.203 58.200 0.004 0.000 1.084 185 S CB -0.526 62.695 63.200 0.035 0.000 0.950 185 S HN 0.478 nan 8.310 nan 0.000 0.440 186 N N 1.463 120.101 118.700 -0.104 0.000 2.300 186 N HA 0.208 4.922 4.740 -0.043 0.000 0.179 186 N C 1.783 177.168 175.510 -0.207 0.000 1.016 186 N CA 0.924 53.883 53.050 -0.152 0.000 0.876 186 N CB -0.774 37.646 38.487 -0.112 0.000 0.979 186 N HN 0.397 nan 8.380 nan 0.000 0.432 187 A N 0.565 123.221 122.820 -0.273 0.000 1.881 187 A HA -0.274 4.021 4.320 -0.043 0.000 0.219 187 A C 2.403 179.823 177.584 -0.273 0.000 1.215 187 A CA 2.421 54.162 52.037 -0.494 0.000 0.648 187 A CB -1.365 17.177 19.000 -0.765 0.000 0.832 187 A HN 0.326 nan 8.150 nan 0.000 0.455 188 S N -1.084 114.504 115.700 -0.185 0.000 2.365 188 S HA -0.256 4.188 4.470 -0.043 0.000 0.225 188 S C 2.189 176.650 174.600 -0.232 0.000 1.039 188 S CA 1.983 60.086 58.200 -0.162 0.000 1.033 188 S CB -0.338 62.767 63.200 -0.159 0.000 0.887 188 S HN 0.523 nan 8.310 nan 0.000 0.447 189 R N 0.730 121.062 120.500 -0.280 0.000 2.105 189 R HA 0.011 4.325 4.340 -0.043 0.000 0.239 189 R C 2.338 178.427 176.300 -0.352 0.000 1.135 189 R CA 1.867 57.733 56.100 -0.390 0.000 0.967 189 R CB -1.373 28.707 30.300 -0.367 0.000 0.861 189 R HN 0.434 nan 8.270 nan 0.000 0.442 190 T N 0.231 114.649 114.554 -0.227 0.000 3.098 190 T HA -0.070 4.254 4.350 -0.043 0.000 0.266 190 T C 1.238 175.855 174.700 -0.138 0.000 1.145 190 T CA 1.066 63.079 62.100 -0.145 0.000 1.092 190 T CB -0.152 68.670 68.868 -0.075 0.000 0.908 190 T HN 0.344 nan 8.240 nan 0.000 0.526 191 M N -1.161 118.335 119.600 -0.173 0.000 2.868 191 M HA -0.290 4.164 4.480 -0.043 0.000 0.169 191 M C 0.901 177.111 176.300 -0.150 0.000 0.664 191 M CA 1.144 56.354 55.300 -0.150 0.000 0.646 191 M CB -1.488 31.041 32.600 -0.119 0.000 2.344 191 M HN 0.299 nan 8.290 nan 0.000 0.274 192 L N -0.912 120.212 121.223 -0.165 0.000 2.093 192 L HA -0.118 4.197 4.340 -0.043 0.000 0.208 192 L C 1.649 178.233 176.870 -0.478 0.000 1.085 192 L CA 1.311 55.933 54.840 -0.363 0.000 0.755 192 L CB -0.471 41.334 42.059 -0.424 0.000 0.904 192 L HN 0.341 nan 8.230 nan 0.000 0.435 193 Y N -0.919 119.110 120.300 -0.451 0.000 3.033 193 Y HA 0.291 4.822 4.550 -0.032 0.000 0.491 193 Y C 0.912 176.668 175.900 -0.240 0.000 1.358 193 Y CA -0.736 57.152 58.100 -0.354 0.000 1.979 193 Y CB 0.073 38.394 38.460 -0.233 0.000 1.668 193 Y HN -0.035 nan 8.280 nan 0.000 0.729 194 N N -0.846 117.867 118.700 0.022 0.000 4.107 194 N HA -0.010 4.704 4.740 -0.043 0.000 0.213 194 N C -0.167 175.292 175.510 -0.086 0.000 1.216 194 N CA -0.245 52.770 53.050 -0.057 0.000 0.925 194 N CB 0.969 39.422 38.487 -0.056 0.000 1.541 194 N HN 0.497 nan 8.380 nan 0.000 0.524 195 I N 1.626 122.100 120.570 -0.161 0.000 2.286 195 I HA -0.040 4.105 4.170 -0.043 0.000 0.245 195 I C 0.689 176.614 176.117 -0.319 0.000 1.104 195 I CA 1.423 62.569 61.300 -0.256 0.000 1.397 195 I CB -0.617 37.168 38.000 -0.359 0.000 1.072 195 I HN 0.524 nan 8.210 nan 0.000 0.417 196 H N 1.189 120.185 119.070 -0.124 0.000 2.813 196 H HA 0.162 4.695 4.556 -0.039 0.000 0.312 196 H C 1.073 176.325 175.328 -0.127 0.000 1.228 196 H CA 0.152 56.106 56.048 -0.157 0.000 1.154 196 H CB 0.456 30.132 29.762 -0.143 0.000 1.418 196 H HN 0.426 nan 8.280 nan 0.000 0.525 197 K N -0.092 120.278 120.400 -0.051 0.000 3.130 197 K HA 0.033 4.327 4.320 -0.043 0.000 0.201 197 K C 0.401 176.948 176.600 -0.089 0.000 1.981 197 K CA 0.100 56.353 56.287 -0.055 0.000 1.473 197 K CB 0.411 32.884 32.500 -0.046 0.000 2.283 197 K HN 0.141 nan 8.250 nan 0.000 0.609 198 L N 1.596 122.768 121.223 -0.086 0.000 4.555 198 L HA -0.308 4.006 4.340 -0.043 0.000 0.431 198 L C -0.767 176.127 176.870 0.040 0.000 1.136 198 L CA 1.178 55.942 54.840 -0.127 0.000 0.972 198 L CB -1.660 40.089 42.059 -0.517 0.000 1.999 198 L HN 0.352 nan 8.230 nan 0.000 0.900 199 E N -2.009 118.200 120.200 0.014 0.000 2.370 199 E HA 0.312 4.636 4.350 -0.043 0.000 0.259 199 E C -0.886 175.533 176.600 -0.301 0.000 0.947 199 E CA -0.953 55.433 56.400 -0.024 0.000 0.809 199 E CB 0.679 30.380 29.700 0.001 0.000 1.300 199 E HN 0.143 nan 8.360 nan 0.000 0.419 200 W N 2.391 123.424 121.300 -0.445 0.000 2.581 200 W HA 0.102 4.736 4.660 -0.043 0.000 0.359 200 W C -0.204 176.167 176.519 -0.247 0.000 1.167 200 W CA 0.245 57.287 57.345 -0.505 0.000 1.517 200 W CB 0.070 29.305 29.460 -0.375 0.000 1.519 200 W HN 0.389 nan 8.180 nan 0.000 0.431 201 D N 3.540 123.800 120.400 -0.234 0.000 2.342 201 D HA -0.061 4.553 4.640 -0.043 0.000 0.260 201 D C 1.030 177.321 176.300 -0.014 0.000 1.278 201 D CA 0.325 54.263 54.000 -0.104 0.000 0.910 201 D CB 0.902 41.615 40.800 -0.145 0.000 1.079 201 D HN 0.288 nan 8.370 nan 0.000 0.496 202 Q N 3.135 122.989 119.800 0.090 0.000 1.224 202 Q HA -0.029 4.285 4.340 -0.043 0.000 0.719 202 Q C 1.405 177.439 176.000 0.056 0.000 0.890 202 Q CA 0.385 56.269 55.803 0.135 0.000 0.894 202 Q CB -0.944 27.864 28.738 0.116 0.000 1.169 202 Q HN 0.769 nan 8.270 nan 0.000 0.295 203 E N -0.539 119.683 120.200 0.038 0.000 3.729 203 E HA -0.333 3.991 4.350 -0.043 0.000 0.365 203 E C 1.641 178.244 176.600 0.004 0.000 1.394 203 E CA 2.341 58.749 56.400 0.014 0.000 1.734 203 E CB -0.733 28.968 29.700 0.001 0.000 1.570 203 E HN 0.349 nan 8.360 nan 0.000 0.306 204 I N 0.301 120.863 120.570 -0.013 0.000 2.179 204 I HA -0.233 3.912 4.170 -0.043 0.000 0.242 204 I C 2.716 178.816 176.117 -0.029 0.000 1.088 204 I CA 1.162 62.443 61.300 -0.031 0.000 1.357 204 I CB -1.148 36.825 38.000 -0.044 0.000 1.051 204 I HN 0.323 nan 8.210 nan 0.000 0.409 205 L N 0.886 122.096 121.223 -0.021 0.000 2.189 205 L HA -0.227 4.087 4.340 -0.043 0.000 0.214 205 L C 1.820 178.718 176.870 0.046 0.000 1.097 205 L CA 1.534 56.372 54.840 -0.002 0.000 0.764 205 L CB -1.042 41.017 42.059 0.001 0.000 0.900 205 L HN 0.254 nan 8.230 nan 0.000 0.436 206 D N -0.488 119.944 120.400 0.053 0.000 2.411 206 D HA -0.135 4.480 4.640 -0.043 0.000 0.226 206 D C 1.890 178.202 176.300 0.020 0.000 0.988 206 D CA 0.817 54.848 54.000 0.052 0.000 0.938 206 D CB 0.014 40.838 40.800 0.040 0.000 0.883 206 D HN 0.384 nan 8.370 nan 0.000 0.525 207 L N -0.269 120.951 121.223 -0.004 0.000 2.592 207 L HA 0.057 4.371 4.340 -0.043 0.000 0.227 207 L C 0.696 177.548 176.870 -0.030 0.000 1.127 207 L CA -0.122 54.702 54.840 -0.026 0.000 0.884 207 L CB 0.226 42.252 42.059 -0.055 0.000 1.065 207 L HN -0.119 nan 8.230 nan 0.000 0.457 208 L N 1.112 122.323 121.223 -0.020 0.000 2.821 208 L HA 0.096 4.410 4.340 -0.043 0.000 0.239 208 L C 1.052 177.903 176.870 -0.031 0.000 1.391 208 L CA 0.436 55.251 54.840 -0.042 0.000 1.231 208 L CB -1.334 40.685 42.059 -0.067 0.000 1.598 208 L HN 0.284 nan 8.230 nan 0.000 0.428 209 N N 0.266 118.951 118.700 -0.025 0.000 2.624 209 N HA -0.279 4.435 4.740 -0.043 0.000 0.222 209 N C 0.151 175.661 175.510 -0.001 0.000 0.908 209 N CA 2.219 55.258 53.050 -0.020 0.000 1.919 209 N CB -0.939 37.526 38.487 -0.036 0.000 0.893 209 N HN 0.466 nan 8.380 nan 0.000 0.549 210 I N -4.000 116.581 120.570 0.019 0.000 2.545 210 I HA 0.558 4.702 4.170 -0.043 0.000 0.292 210 I C -2.424 173.730 176.117 0.062 0.000 1.040 210 I CA -2.337 58.987 61.300 0.040 0.000 1.068 210 I CB 2.291 40.325 38.000 0.057 0.000 1.251 210 I HN -0.227 nan 8.210 nan 0.000 0.424 211 P HA 0.076 nan 4.420 nan 0.000 0.235 211 P C 0.087 177.433 177.300 0.077 0.000 1.670 211 P CA 0.606 63.739 63.100 0.054 0.000 1.017 211 P CB -0.156 31.561 31.700 0.027 0.000 1.945 212 S N -0.987 114.805 115.700 0.153 0.000 3.402 212 S HA -0.234 4.210 4.470 -0.043 0.000 0.329 212 S C 1.863 176.463 174.600 -0.001 0.000 1.194 212 S CA 1.025 59.354 58.200 0.214 0.000 0.951 212 S CB -1.977 61.398 63.200 0.293 0.000 0.975 212 S HN 0.636 nan 8.310 nan 0.000 0.574 213 S N 1.406 117.113 115.700 0.012 0.000 2.369 213 S HA -0.141 4.304 4.470 -0.043 0.000 0.225 213 S C 0.975 175.467 174.600 -0.180 0.000 1.043 213 S CA 1.503 59.662 58.200 -0.068 0.000 1.074 213 S CB -0.551 62.635 63.200 -0.024 0.000 0.962 213 S HN 0.671 nan 8.310 nan 0.000 0.433 214 M N 3.292 122.758 119.600 -0.224 0.000 3.596 214 M HA 0.315 4.769 4.480 -0.043 0.000 0.219 214 M C -0.849 175.024 176.300 -0.711 0.000 1.471 214 M CA -0.304 54.678 55.300 -0.530 0.000 1.644 214 M CB -0.539 31.572 32.600 -0.815 0.000 1.083 214 M HN 0.376 nan 8.290 nan 0.000 0.579 215 L N 0.098 120.958 121.223 -0.605 0.000 2.315 215 L HA 0.598 4.913 4.340 -0.043 0.000 0.283 215 L C -2.624 173.961 176.870 -0.475 0.000 1.089 215 L CA -1.825 52.464 54.840 -0.919 0.000 0.833 215 L CB -0.480 40.576 42.059 -1.671 0.000 1.170 215 L HN 0.071 nan 8.230 nan 0.000 0.442 216 P HA 0.159 nan 4.420 nan 0.000 0.274 216 P C -0.553 176.936 177.300 0.315 0.000 1.231 216 P CA -0.234 62.998 63.100 0.221 0.000 0.790 216 P CB 0.879 32.830 31.700 0.418 0.000 0.951 217 E N 0.667 121.042 120.200 0.291 0.000 2.314 217 E HA 0.433 4.757 4.350 -0.043 0.000 0.262 217 E C -1.172 175.670 176.600 0.404 0.000 1.093 217 E CA -0.766 55.811 56.400 0.294 0.000 0.908 217 E CB 1.018 30.834 29.700 0.194 0.000 1.091 217 E HN 0.056 nan 8.360 nan 0.000 0.425 218 V N 2.079 122.242 119.914 0.416 0.000 3.001 218 V HA 0.456 4.551 4.120 -0.043 0.000 0.314 218 V C -1.283 174.922 176.094 0.185 0.000 1.099 218 V CA -0.743 61.765 62.300 0.347 0.000 0.989 218 V CB 2.107 34.302 31.823 0.619 0.000 1.040 218 V HN 0.597 nan 8.190 nan 0.000 0.434 219 K N 2.200 122.597 120.400 -0.006 0.000 2.259 219 K HA 0.507 4.801 4.320 -0.043 0.000 0.252 219 K C 0.533 176.751 176.600 -0.637 0.000 0.936 219 K CA -0.129 56.068 56.287 -0.151 0.000 0.810 219 K CB 1.941 34.391 32.500 -0.084 0.000 1.143 219 K HN 0.840 nan 8.250 nan 0.000 0.427 220 S N 2.012 117.368 115.700 -0.574 0.000 2.294 220 S HA 0.080 4.524 4.470 -0.043 0.000 0.182 220 S C 0.862 175.146 174.600 -0.526 0.000 1.053 220 S CA 0.348 58.005 58.200 -0.906 0.000 1.161 220 S CB -0.257 62.861 63.200 -0.136 0.000 0.890 220 S HN 0.540 nan 8.310 nan 0.000 0.448 221 N N 1.747 120.333 118.700 -0.191 0.000 2.577 221 N HA 0.308 5.022 4.740 -0.043 0.000 0.296 221 N C -0.383 175.081 175.510 -0.077 0.000 1.357 221 N CA -0.100 52.899 53.050 -0.084 0.000 0.896 221 N CB -0.703 37.775 38.487 -0.016 0.000 1.102 221 N HN 0.455 nan 8.380 nan 0.000 0.506 222 S N 2.010 117.687 115.700 -0.038 0.000 2.808 222 S HA -0.058 4.387 4.470 -0.043 0.000 0.342 222 S C 0.627 175.210 174.600 -0.029 0.000 1.154 222 S CA -0.038 58.139 58.200 -0.039 0.000 1.476 222 S CB -0.838 62.350 63.200 -0.020 0.000 1.290 222 S HN 0.377 nan 8.310 nan 0.000 0.582 223 E N 2.048 122.217 120.200 -0.051 0.000 2.515 223 E HA 0.026 4.351 4.350 -0.043 0.000 0.315 223 E C -0.553 176.027 176.600 -0.034 0.000 1.523 223 E CA -0.405 55.981 56.400 -0.023 0.000 1.704 223 E CB -0.484 29.189 29.700 -0.044 0.000 1.395 223 E HN 0.340 nan 8.360 nan 0.000 0.490 224 V N 3.612 123.531 119.914 0.008 0.000 2.357 224 V HA -0.020 4.074 4.120 -0.043 0.000 0.239 224 V C 0.078 176.226 176.094 0.090 0.000 1.168 224 V CA 0.353 62.664 62.300 0.019 0.000 1.262 224 V CB -2.120 29.730 31.823 0.046 0.000 1.314 224 V HN 0.476 nan 8.190 nan 0.000 0.486 225 Y N 1.750 122.019 120.300 -0.051 0.000 2.512 225 Y HA 0.851 5.379 4.550 -0.036 0.000 0.348 225 Y C 0.558 176.327 175.900 -0.219 0.000 0.990 225 Y CA -1.048 56.998 58.100 -0.089 0.000 1.033 225 Y CB 1.737 40.156 38.460 -0.069 0.000 1.259 225 Y HN 0.447 nan 8.280 nan 0.000 0.461 226 G N 2.376 111.293 108.800 0.196 0.000 2.508 226 G HA2 0.420 4.355 3.960 -0.043 0.000 0.278 226 G HA3 0.420 4.355 3.960 -0.043 0.000 0.278 226 G C -0.771 173.963 174.900 -0.277 0.000 1.389 226 G CA -0.453 44.587 45.100 -0.100 0.000 1.050 226 G HN 0.826 nan 8.290 nan 0.000 0.522 227 H N -2.688 116.396 119.070 0.023 0.000 3.471 227 H HA 0.432 4.961 4.556 -0.045 0.000 0.318 227 H C -0.079 175.194 175.328 -0.093 0.000 1.676 227 H CA -0.273 55.762 56.048 -0.021 0.000 1.293 227 H CB 1.161 30.909 29.762 -0.024 0.000 1.738 227 H HN 0.383 nan 8.280 nan 0.000 0.690 228 T N 0.486 115.085 114.554 0.075 0.000 3.182 228 T HA 0.113 4.437 4.350 -0.043 0.000 0.277 228 T C 1.550 176.207 174.700 -0.072 0.000 1.013 228 T CA -0.323 61.751 62.100 -0.043 0.000 0.900 228 T CB 0.887 69.686 68.868 -0.115 0.000 1.098 228 T HN 0.260 nan 8.240 nan 0.000 0.543 229 R N 2.414 122.878 120.500 -0.060 0.000 2.247 229 R HA -0.043 4.271 4.340 -0.043 0.000 0.179 229 R C 0.673 176.973 176.300 -0.000 0.000 0.910 229 R CA 1.629 57.683 56.100 -0.077 0.000 1.095 229 R CB -0.729 29.526 30.300 -0.075 0.000 0.663 229 R HN 0.343 nan 8.270 nan 0.000 0.538 230 S N -1.688 114.040 115.700 0.047 0.000 3.018 230 S HA -0.289 4.156 4.470 -0.043 0.000 0.636 230 S C -0.156 174.644 174.600 0.333 0.000 2.973 230 S CA 1.165 59.467 58.200 0.171 0.000 3.169 230 S CB -0.703 62.605 63.200 0.180 0.000 0.332 230 S HN 0.725 nan 8.310 nan 0.000 1.796 231 Y N 0.324 120.770 120.300 0.244 0.000 3.359 231 Y HA 0.210 4.734 4.550 -0.043 0.000 0.213 231 Y C 0.383 176.611 175.900 0.548 0.000 0.832 231 Y CA 0.638 58.920 58.100 0.304 0.000 1.172 231 Y CB -0.648 37.946 38.460 0.224 0.000 1.273 231 Y HN 0.981 nan 8.280 nan 0.000 0.690 232 H N -1.127 118.079 119.070 0.227 0.000 3.615 232 H HA -0.154 4.376 4.556 -0.043 0.000 0.166 232 H C -1.357 173.840 175.328 -0.218 0.000 0.882 232 H CA 0.603 56.593 56.048 -0.097 0.000 1.228 232 H CB -1.096 28.470 29.762 -0.327 0.000 0.936 232 H HN 0.066 nan 8.280 nan 0.000 0.421 233 F N 0.287 120.318 119.950 0.134 0.000 2.576 233 F HA 0.275 4.777 4.527 -0.043 0.000 0.313 233 F C -0.171 175.721 175.800 0.152 0.000 1.078 233 F CA -1.098 56.954 58.000 0.088 0.000 0.921 233 F CB 0.400 39.433 39.000 0.056 0.000 1.232 233 F HN 0.061 nan 8.300 nan 0.000 0.459 234 Y N 1.786 122.210 120.300 0.207 0.000 2.594 234 Y HA 0.555 5.080 4.550 -0.042 0.000 0.344 234 Y C 0.123 176.101 175.900 0.130 0.000 1.185 234 Y CA -0.272 57.911 58.100 0.138 0.000 1.565 234 Y CB -0.233 38.282 38.460 0.093 0.000 1.415 234 Y HN 0.653 nan 8.280 nan 0.000 0.488 235 G N 1.435 110.260 108.800 0.042 0.000 2.662 235 G HA2 0.397 4.331 3.960 -0.043 0.000 0.302 235 G HA3 0.397 4.331 3.960 -0.043 0.000 0.302 235 G C -0.448 174.416 174.900 -0.060 0.000 1.389 235 G CA -0.727 44.377 45.100 0.006 0.000 0.998 235 G HN 0.386 nan 8.290 nan 0.000 0.502 236 S N 0.123 115.800 115.700 -0.039 0.000 3.631 236 S HA -0.149 4.296 4.470 -0.043 0.000 0.366 236 S C 0.523 175.106 174.600 -0.028 0.000 0.993 236 S CA 1.306 59.496 58.200 -0.016 0.000 1.167 236 S CB -0.841 62.348 63.200 -0.020 0.000 0.909 236 S HN 0.793 nan 8.310 nan 0.000 0.478 237 E N -0.394 119.732 120.200 -0.124 0.000 3.428 237 E HA 0.164 4.488 4.350 -0.043 0.000 0.191 237 E C -0.068 176.398 176.600 -0.224 0.000 0.980 237 E CA -0.133 56.130 56.400 -0.228 0.000 1.305 237 E CB 1.208 30.516 29.700 -0.653 0.000 1.105 237 E HN 0.426 nan 8.360 nan 0.000 0.455 238 V N 1.686 121.601 119.914 0.002 0.000 2.614 238 V HA 0.186 4.280 4.120 -0.043 0.000 0.291 238 V C -2.072 174.065 176.094 0.072 0.000 1.049 238 V CA -1.378 60.977 62.300 0.092 0.000 1.038 238 V CB 0.969 32.875 31.823 0.139 0.000 0.980 238 V HN 0.036 nan 8.190 nan 0.000 0.481 239 P HA 0.178 nan 4.420 nan 0.000 0.277 239 P C -0.715 176.577 177.300 -0.013 0.000 1.388 239 P CA 0.565 63.692 63.100 0.045 0.000 1.019 239 P CB 0.188 31.947 31.700 0.099 0.000 1.111 240 I N -4.258 116.287 120.570 -0.041 0.000 1.999 240 I HA 0.406 4.550 4.170 -0.043 0.000 0.319 240 I C -0.741 175.281 176.117 -0.158 0.000 2.694 240 I CA -0.594 60.648 61.300 -0.096 0.000 0.958 240 I CB 0.292 38.213 38.000 -0.132 0.000 2.060 240 I HN 0.488 nan 8.210 nan 0.000 0.670 241 A N 2.297 125.031 122.820 -0.143 0.000 3.281 241 A HA 0.960 5.254 4.320 -0.043 0.000 0.302 241 A C 0.379 177.889 177.584 -0.123 0.000 1.115 241 A CA 0.464 52.409 52.037 -0.154 0.000 0.595 241 A CB 0.345 19.284 19.000 -0.102 0.000 1.518 241 A HN 2.361 nan 8.150 nan 0.000 0.674 242 G N -0.895 107.845 108.800 -0.100 0.000 4.315 242 G HA2 0.012 3.946 3.960 -0.043 0.000 0.280 242 G HA3 0.012 3.946 3.960 -0.043 0.000 0.280 242 G C 0.795 175.655 174.900 -0.067 0.000 1.649 242 G CA 0.752 45.810 45.100 -0.071 0.000 1.108 242 G HN 2.427 nan 8.290 nan 0.000 0.667 243 M N 0.534 120.093 119.600 -0.068 0.000 2.852 243 M HA 0.073 4.527 4.480 -0.043 0.000 0.176 243 M C 0.139 176.422 176.300 -0.028 0.000 1.160 243 M CA 1.292 56.564 55.300 -0.048 0.000 0.702 243 M CB -1.141 31.413 32.600 -0.077 0.000 1.193 243 M HN 2.376 nan 8.290 nan 0.000 0.775 244 A N 1.158 123.967 122.820 -0.018 0.000 2.564 244 A HA 0.914 5.208 4.320 -0.043 0.000 0.288 244 A C 0.108 177.676 177.584 -0.027 0.000 1.164 244 A CA -0.220 51.810 52.037 -0.012 0.000 0.712 244 A CB 0.882 19.900 19.000 0.030 0.000 1.303 244 A HN 0.844 nan 8.150 nan 0.000 0.418 245 G N -0.409 108.359 108.800 -0.053 0.000 2.432 245 G HA2 0.368 4.303 3.960 -0.043 0.000 0.257 245 G HA3 0.368 4.303 3.960 -0.043 0.000 0.257 245 G C 0.476 175.311 174.900 -0.108 0.000 1.238 245 G CA 0.549 45.592 45.100 -0.096 0.000 0.838 245 G HN 0.731 nan 8.290 nan 0.000 0.547 246 D N 0.808 121.145 120.400 -0.104 0.000 2.177 246 D HA -0.198 4.416 4.640 -0.043 0.000 0.189 246 D C 2.224 178.444 176.300 -0.134 0.000 1.002 246 D CA 1.528 55.468 54.000 -0.099 0.000 0.845 246 D CB 0.148 40.918 40.800 -0.051 0.000 0.960 246 D HN 0.411 nan 8.370 nan 0.000 0.447 247 Q N -0.116 119.577 119.800 -0.179 0.000 2.170 247 Q HA -0.160 4.154 4.340 -0.043 0.000 0.203 247 Q C 2.305 178.205 176.000 -0.167 0.000 0.976 247 Q CA 1.155 56.840 55.803 -0.196 0.000 0.858 247 Q CB -0.463 28.048 28.738 -0.378 0.000 0.907 247 Q HN 0.484 nan 8.270 nan 0.000 0.433 248 Q N 0.371 120.083 119.800 -0.147 0.000 2.123 248 Q HA 0.028 4.342 4.340 -0.043 0.000 0.199 248 Q C 2.028 178.077 176.000 0.083 0.000 0.966 248 Q CA 1.499 57.288 55.803 -0.023 0.000 0.845 248 Q CB -0.396 28.337 28.738 -0.007 0.000 0.907 248 Q HN 0.428 nan 8.270 nan 0.000 0.439 249 A N 0.686 123.480 122.820 -0.043 0.000 1.898 249 A HA -0.058 4.236 4.320 -0.043 0.000 0.216 249 A C 2.266 179.517 177.584 -0.554 0.000 1.181 249 A CA 1.542 53.417 52.037 -0.269 0.000 0.620 249 A CB -0.977 17.857 19.000 -0.276 0.000 0.819 249 A HN 0.369 nan 8.150 nan 0.000 0.442 250 A N -0.002 122.623 122.820 -0.326 0.000 1.908 250 A HA -0.065 4.229 4.320 -0.043 0.000 0.218 250 A C 2.122 179.533 177.584 -0.290 0.000 1.181 250 A CA 1.823 53.677 52.037 -0.305 0.000 0.627 250 A CB -0.759 18.129 19.000 -0.186 0.000 0.818 250 A HN 0.958 nan 8.150 nan 0.000 0.445 251 L N 0.077 121.200 121.223 -0.167 0.000 1.963 251 L HA -0.240 4.075 4.340 -0.043 0.000 0.220 251 L C 2.305 179.105 176.870 -0.116 0.000 1.076 251 L CA 3.152 57.952 54.840 -0.067 0.000 0.772 251 L CB -1.122 40.984 42.059 0.078 0.000 0.892 251 L HN 0.559 nan 8.230 nan 0.000 0.435 252 F N -1.303 118.482 119.950 -0.275 0.000 2.416 252 F HA 0.354 4.851 4.527 -0.050 0.000 0.296 252 F C 2.100 177.569 175.800 -0.552 0.000 1.099 252 F CA 0.389 58.099 58.000 -0.482 0.000 1.427 252 F CB -1.619 37.119 39.000 -0.438 0.000 1.079 252 F HN 0.101 nan 8.300 nan 0.000 0.536 253 G N 0.533 108.714 108.800 -1.033 0.000 2.469 253 G HA2 -0.243 3.691 3.960 -0.043 0.000 0.219 253 G HA3 -0.243 3.691 3.960 -0.043 0.000 0.219 253 G C 1.074 175.709 174.900 -0.441 0.000 1.150 253 G CA 0.466 45.090 45.100 -0.793 0.000 0.763 253 G HN 0.511 nan 8.290 nan 0.000 0.561 254 Q N 0.161 119.733 119.800 -0.381 0.000 3.141 254 Q HA 0.291 4.606 4.340 -0.043 0.000 0.304 254 Q C 0.794 176.660 176.000 -0.224 0.000 1.305 254 Q CA -0.432 55.225 55.803 -0.244 0.000 0.929 254 Q CB -0.096 28.524 28.738 -0.196 0.000 1.701 254 Q HN 0.222 nan 8.270 nan 0.000 0.483 255 M N -0.503 118.968 119.600 -0.215 0.000 2.763 255 M HA -0.259 4.195 4.480 -0.043 0.000 0.178 255 M C -0.437 175.689 176.300 -0.290 0.000 0.620 255 M CA 0.822 56.033 55.300 -0.147 0.000 0.594 255 M CB -1.445 31.144 32.600 -0.019 0.000 2.167 255 M HN 0.450 nan 8.290 nan 0.000 0.512 256 A N 0.459 122.961 122.820 -0.531 0.000 3.026 256 A HA 0.408 4.702 4.320 -0.043 0.000 0.272 256 A C -0.038 177.195 177.584 -0.585 0.000 1.782 256 A CA 0.026 51.802 52.037 -0.435 0.000 1.451 256 A CB -1.097 17.711 19.000 -0.320 0.000 1.081 256 A HN 0.357 nan 8.150 nan 0.000 0.611 257 F N -0.106 119.833 119.950 -0.018 0.000 2.818 257 F HA 0.417 4.920 4.527 -0.041 0.000 0.369 257 F C 0.420 176.165 175.800 -0.092 0.000 1.327 257 F CA -0.347 57.616 58.000 -0.062 0.000 1.211 257 F CB 0.289 39.276 39.000 -0.022 0.000 1.036 257 F HN 0.610 nan 8.300 nan 0.000 0.510 258 E N -0.204 120.014 120.200 0.031 0.000 2.439 258 E HA 0.332 4.656 4.350 -0.043 0.000 0.279 258 E C -1.071 175.525 176.600 -0.007 0.000 1.077 258 E CA -0.889 55.518 56.400 0.011 0.000 0.849 258 E CB 1.737 31.460 29.700 0.038 0.000 1.408 258 E HN 0.016 nan 8.360 nan 0.000 0.457 259 K N -0.222 120.188 120.400 0.015 0.000 2.355 259 K HA 0.329 4.623 4.320 -0.043 0.000 0.270 259 K C 0.629 177.241 176.600 0.019 0.000 1.003 259 K CA 1.156 57.459 56.287 0.027 0.000 0.957 259 K CB 0.508 33.034 32.500 0.043 0.000 0.939 259 K HN 0.745 nan 8.250 nan 0.000 0.482 260 G N 2.004 110.817 108.800 0.022 0.000 2.175 260 G HA2 -0.311 3.623 3.960 -0.043 0.000 0.265 260 G HA3 -0.311 3.623 3.960 -0.043 0.000 0.265 260 G C 0.079 174.982 174.900 0.004 0.000 0.979 260 G CA 0.166 45.276 45.100 0.016 0.000 0.663 260 G HN 0.503 nan 8.290 nan 0.000 0.533 261 M N 1.702 121.298 119.600 -0.007 0.000 2.194 261 M HA 0.431 4.886 4.480 -0.043 0.000 0.347 261 M C 0.619 176.902 176.300 -0.028 0.000 1.439 261 M CA 0.188 55.473 55.300 -0.025 0.000 1.131 261 M CB 0.466 33.035 32.600 -0.050 0.000 1.733 261 M HN 0.358 nan 8.290 nan 0.000 0.467 262 I N 1.998 122.552 120.570 -0.026 0.000 2.785 262 I HA 0.829 4.974 4.170 -0.043 0.000 0.302 262 I C -0.895 175.198 176.117 -0.040 0.000 1.069 262 I CA -0.888 60.397 61.300 -0.026 0.000 1.045 262 I CB 1.825 39.818 38.000 -0.011 0.000 1.236 262 I HN 0.688 nan 8.210 nan 0.000 0.429 263 K N 3.352 123.723 120.400 -0.048 0.000 2.175 263 K HA 0.664 4.958 4.320 -0.043 0.000 0.257 263 K C -1.227 175.322 176.600 -0.086 0.000 1.026 263 K CA -0.807 55.437 56.287 -0.071 0.000 0.866 263 K CB 1.520 33.965 32.500 -0.092 0.000 1.474 263 K HN 0.748 nan 8.250 nan 0.000 0.442 264 N N -0.937 117.678 118.700 -0.141 0.000 2.710 264 N HA 0.284 4.998 4.740 -0.043 0.000 0.257 264 N C -1.865 173.448 175.510 -0.328 0.000 1.140 264 N CA -0.372 52.546 53.050 -0.221 0.000 0.953 264 N CB 2.432 40.749 38.487 -0.283 0.000 1.664 264 N HN 0.701 nan 8.380 nan 0.000 0.497 265 T N 3.150 117.521 114.554 -0.304 0.000 3.160 265 T HA 0.249 4.574 4.350 -0.043 0.000 0.344 265 T C -1.286 173.344 174.700 -0.116 0.000 0.981 265 T CA -0.427 61.530 62.100 -0.238 0.000 1.170 265 T CB -0.509 68.309 68.868 -0.084 0.000 1.016 265 T HN 0.341 nan 8.240 nan 0.000 0.492 266 Y N 1.020 121.353 120.300 0.055 0.000 2.504 266 Y HA 0.765 5.289 4.550 -0.043 0.000 0.351 266 Y C 0.743 176.684 175.900 0.068 0.000 0.988 266 Y CA -1.294 56.841 58.100 0.059 0.000 1.239 266 Y CB 0.188 38.681 38.460 0.054 0.000 1.128 266 Y HN 0.630 nan 8.280 nan 0.000 0.525 267 G N 1.011 109.950 108.800 0.233 0.000 3.354 267 G HA2 0.119 4.053 3.960 -0.043 0.000 0.174 267 G HA3 0.119 4.053 3.960 -0.043 0.000 0.174 267 G C 0.546 175.552 174.900 0.177 0.000 1.140 267 G CA -0.202 45.009 45.100 0.185 0.000 0.897 267 G HN 0.323 nan 8.290 nan 0.000 0.685 268 T N 0.455 115.125 114.554 0.193 0.000 2.929 268 T HA 0.266 4.590 4.350 -0.043 0.000 0.271 268 T C 0.906 175.777 174.700 0.286 0.000 1.085 268 T CA 1.402 63.634 62.100 0.221 0.000 1.125 268 T CB -0.218 68.825 68.868 0.292 0.000 0.874 268 T HN 0.884 nan 8.240 nan 0.000 0.494 269 G N -0.370 108.591 108.800 0.268 0.000 2.719 269 G HA2 0.584 4.518 3.960 -0.043 0.000 0.298 269 G HA3 0.584 4.518 3.960 -0.043 0.000 0.298 269 G C -1.104 173.831 174.900 0.059 0.000 1.411 269 G CA -0.572 44.630 45.100 0.170 0.000 0.991 269 G HN 0.220 nan 8.290 nan 0.000 0.509 270 A N 1.639 124.394 122.820 -0.108 0.000 3.016 270 A HA 0.666 4.960 4.320 -0.043 0.000 0.303 270 A C -0.702 176.763 177.584 -0.199 0.000 1.507 270 A CA -0.489 51.512 52.037 -0.059 0.000 1.196 270 A CB -0.680 18.327 19.000 0.012 0.000 1.169 270 A HN 0.461 nan 8.150 nan 0.000 0.544 271 F N 1.361 121.313 119.950 0.002 0.000 2.405 271 F HA 0.519 5.025 4.527 -0.036 0.000 0.355 271 F C -0.021 175.751 175.800 -0.047 0.000 1.121 271 F CA -0.439 57.546 58.000 -0.025 0.000 1.112 271 F CB 1.458 40.425 39.000 -0.054 0.000 1.126 271 F HN 0.272 nan 8.300 nan 0.000 0.481 272 I N 4.503 125.163 120.570 0.150 0.000 2.406 272 I HA 0.489 4.633 4.170 -0.043 0.000 0.290 272 I C -0.664 175.501 176.117 0.079 0.000 0.999 272 I CA -0.673 60.666 61.300 0.064 0.000 1.124 272 I CB 1.689 39.701 38.000 0.021 0.000 1.289 272 I HN 0.172 nan 8.210 nan 0.000 0.441 273 V N 6.082 126.021 119.914 0.042 0.000 2.823 273 V HA 0.622 4.716 4.120 -0.043 0.000 0.312 273 V C 0.165 176.271 176.094 0.020 0.000 1.072 273 V CA -0.805 61.518 62.300 0.038 0.000 0.937 273 V CB 1.817 33.657 31.823 0.029 0.000 1.013 273 V HN 0.826 nan 8.190 nan 0.000 0.430 274 M N 1.350 120.968 119.600 0.029 0.000 2.655 274 M HA 0.690 5.145 4.480 -0.043 0.000 0.271 274 M C -0.579 175.740 176.300 0.031 0.000 1.013 274 M CA -0.632 54.682 55.300 0.023 0.000 0.994 274 M CB 1.602 34.220 32.600 0.030 0.000 1.585 274 M HN 0.524 nan 8.290 nan 0.000 0.569 275 N N 0.979 119.699 118.700 0.034 0.000 2.648 275 N HA 0.225 4.939 4.740 -0.043 0.000 0.261 275 N C -1.369 174.186 175.510 0.074 0.000 1.138 275 N CA -0.069 53.008 53.050 0.045 0.000 0.804 275 N CB 1.294 39.783 38.487 0.004 0.000 1.237 275 N HN 0.812 nan 8.380 nan 0.000 0.532 276 T N 0.224 114.844 114.554 0.110 0.000 3.240 276 T HA 0.417 4.741 4.350 -0.043 0.000 0.248 276 T C 1.204 176.011 174.700 0.179 0.000 0.929 276 T CA 0.043 62.215 62.100 0.121 0.000 0.939 276 T CB 0.167 69.097 68.868 0.103 0.000 1.114 276 T HN 0.625 nan 8.240 nan 0.000 0.558 277 G N 2.706 111.655 108.800 0.249 0.000 2.622 277 G HA2 -0.307 3.627 3.960 -0.043 0.000 0.307 277 G HA3 -0.307 3.627 3.960 -0.043 0.000 0.307 277 G C 0.032 175.144 174.900 0.354 0.000 1.226 277 G CA 0.147 45.492 45.100 0.408 0.000 0.997 277 G HN 0.595 nan 8.290 nan 0.000 0.551 278 E N 1.650 121.938 120.200 0.146 0.000 2.947 278 E HA 0.284 4.608 4.350 -0.043 0.000 0.229 278 E C -0.627 176.152 176.600 0.298 0.000 1.158 278 E CA -0.173 56.342 56.400 0.192 0.000 1.441 278 E CB 0.647 30.320 29.700 -0.045 0.000 1.414 278 E HN 0.326 nan 8.360 nan 0.000 0.432 279 E N 1.550 121.893 120.200 0.238 0.000 2.149 279 E HA 0.204 4.528 4.350 -0.043 0.000 0.255 279 E C -2.383 174.251 176.600 0.058 0.000 0.888 279 E CA -2.325 54.131 56.400 0.094 0.000 0.742 279 E CB 1.536 31.282 29.700 0.077 0.000 1.164 279 E HN 0.000 nan 8.360 nan 0.000 0.422 280 P HA -0.013 nan 4.420 nan 0.000 0.235 280 P C 0.005 177.347 177.300 0.071 0.000 1.765 280 P CA 0.352 63.392 63.100 -0.100 0.000 1.034 280 P CB -0.163 31.425 31.700 -0.186 0.000 1.984 281 Q N 1.783 121.617 119.800 0.056 0.000 2.189 281 Q HA 0.652 4.966 4.340 -0.043 0.000 0.193 281 Q C -0.318 175.718 176.000 0.061 0.000 1.034 281 Q CA -0.920 54.918 55.803 0.058 0.000 1.062 281 Q CB 0.846 29.608 28.738 0.040 0.000 1.118 281 Q HN 0.124 nan 8.270 nan 0.000 0.569 282 L N -3.574 117.678 121.223 0.048 0.000 2.505 282 L HA 0.579 4.893 4.340 -0.043 0.000 0.259 282 L C -1.241 175.652 176.870 0.039 0.000 0.952 282 L CA -0.996 53.872 54.840 0.048 0.000 0.840 282 L CB 2.544 44.630 42.059 0.044 0.000 1.358 282 L HN 0.516 nan 8.230 nan 0.000 0.409 283 S N 1.915 117.646 115.700 0.051 0.000 2.411 283 S HA 0.106 4.551 4.470 -0.043 0.000 0.304 283 S C 0.911 175.548 174.600 0.060 0.000 1.098 283 S CA -0.221 58.006 58.200 0.045 0.000 1.068 283 S CB 0.318 63.540 63.200 0.038 0.000 1.032 283 S HN 0.895 nan 8.310 nan 0.000 0.511 284 D N 3.168 123.597 120.400 0.048 0.000 2.292 284 D HA -0.229 4.385 4.640 -0.043 0.000 0.205 284 D C -0.113 176.244 176.300 0.093 0.000 0.994 284 D CA 0.964 55.004 54.000 0.067 0.000 0.897 284 D CB -0.414 40.411 40.800 0.042 0.000 0.907 284 D HN 0.468 nan 8.370 nan 0.000 0.467 285 N N 1.869 120.601 118.700 0.054 0.000 3.193 285 N HA 0.025 4.739 4.740 -0.043 0.000 0.312 285 N C -0.667 174.840 175.510 -0.006 0.000 1.261 285 N CA 0.166 53.227 53.050 0.018 0.000 1.208 285 N CB 0.080 38.561 38.487 -0.010 0.000 1.471 285 N HN 0.008 nan 8.380 nan 0.000 0.548 286 D N -0.664 119.778 120.400 0.070 0.000 3.012 286 D HA -0.195 4.419 4.640 -0.043 0.000 0.222 286 D C -0.443 175.921 176.300 0.107 0.000 1.167 286 D CA 0.842 54.886 54.000 0.072 0.000 0.854 286 D CB -1.106 39.568 40.800 -0.211 0.000 1.107 286 D HN 0.437 nan 8.370 nan 0.000 0.421 287 L N -0.072 121.238 121.223 0.145 0.000 2.344 287 L HA 0.496 4.811 4.340 -0.043 0.000 0.272 287 L C 1.398 178.414 176.870 0.244 0.000 1.035 287 L CA -0.961 53.969 54.840 0.149 0.000 0.807 287 L CB 1.241 43.345 42.059 0.075 0.000 1.237 287 L HN -0.162 nan 8.230 nan 0.000 0.442 288 L N 0.110 121.480 121.223 0.246 0.000 2.946 288 L HA 0.551 4.866 4.340 -0.043 0.000 0.189 288 L C -0.003 176.940 176.870 0.121 0.000 1.249 288 L CA -0.432 54.545 54.840 0.228 0.000 1.098 288 L CB 0.696 42.910 42.059 0.258 0.000 2.064 288 L HN 0.569 nan 8.230 nan 0.000 0.522 289 T N -1.599 112.992 114.554 0.062 0.000 2.883 289 T HA 0.591 4.915 4.350 -0.043 0.000 0.296 289 T C -0.580 174.098 174.700 -0.037 0.000 1.117 289 T CA -0.498 61.602 62.100 -0.001 0.000 1.006 289 T CB 2.319 71.149 68.868 -0.063 0.000 1.191 289 T HN 0.702 nan 8.240 nan 0.000 0.508 290 T N 0.308 114.839 114.554 -0.039 0.000 2.658 290 T HA 0.611 4.935 4.350 -0.043 0.000 0.305 290 T C -1.767 172.933 174.700 0.001 0.000 1.551 290 T CA -0.730 61.344 62.100 -0.043 0.000 0.985 290 T CB 0.923 69.771 68.868 -0.033 0.000 1.731 290 T HN 0.690 nan 8.240 nan 0.000 0.486 291 I N -0.607 119.966 120.570 0.004 0.000 3.067 291 I HA 0.986 5.131 4.170 -0.043 0.000 0.312 291 I C 0.310 176.434 176.117 0.010 0.000 1.073 291 I CA -0.927 60.382 61.300 0.015 0.000 1.016 291 I CB 1.047 39.021 38.000 -0.043 0.000 1.227 291 I HN 0.902 nan 8.210 nan 0.000 0.456 292 G N 0.939 109.712 108.800 -0.046 0.000 2.947 292 G HA2 0.693 4.627 3.960 -0.043 0.000 0.293 292 G HA3 0.693 4.627 3.960 -0.043 0.000 0.293 292 G C -2.273 172.609 174.900 -0.030 0.000 1.243 292 G CA -0.461 44.678 45.100 0.064 0.000 0.802 292 G HN 0.604 nan 8.290 nan 0.000 0.560 293 Y N -1.679 118.631 120.300 0.016 0.000 2.655 293 Y HA 0.696 5.219 4.550 -0.045 0.000 0.336 293 Y C 0.443 176.276 175.900 -0.112 0.000 1.154 293 Y CA -0.012 58.117 58.100 0.049 0.000 1.055 293 Y CB 2.644 41.215 38.460 0.184 0.000 1.295 293 Y HN 1.141 nan 8.280 nan 0.000 0.465 294 G N 0.555 109.323 108.800 -0.053 0.000 2.411 294 G HA2 0.480 4.414 3.960 -0.043 0.000 0.295 294 G HA3 0.480 4.414 3.960 -0.043 0.000 0.295 294 G C -0.422 174.305 174.900 -0.288 0.000 1.542 294 G CA -0.093 44.835 45.100 -0.287 0.000 0.814 294 G HN 0.759 nan 8.290 nan 0.000 0.557 295 I N -0.929 119.585 120.570 -0.094 0.000 4.885 295 I HA -0.427 3.717 4.170 -0.043 0.000 0.039 295 I C 0.973 177.022 176.117 -0.115 0.000 0.634 295 I CA 2.045 63.313 61.300 -0.052 0.000 0.310 295 I CB -1.132 36.885 38.000 0.029 0.000 0.376 295 I HN 0.596 nan 8.210 nan 0.000 0.151 296 N N 1.100 119.779 118.700 -0.034 0.000 2.502 296 N HA 0.478 5.192 4.740 -0.043 0.000 0.280 296 N C 0.127 175.604 175.510 -0.056 0.000 1.223 296 N CA 0.386 53.402 53.050 -0.056 0.000 0.966 296 N CB 0.783 39.276 38.487 0.010 0.000 1.203 296 N HN 0.530 nan 8.380 nan 0.000 0.565 297 G N 0.326 109.091 108.800 -0.058 0.000 2.789 297 G HA2 0.185 4.119 3.960 -0.043 0.000 0.281 297 G HA3 0.185 4.119 3.960 -0.043 0.000 0.281 297 G C -0.428 174.501 174.900 0.049 0.000 0.708 297 G CA 0.293 45.381 45.100 -0.019 0.000 2.067 297 G HN 0.550 nan 8.290 nan 0.000 0.554 298 K N -0.416 120.046 120.400 0.103 0.000 2.532 298 K HA 0.571 4.865 4.320 -0.043 0.000 0.265 298 K C -1.250 175.327 176.600 -0.038 0.000 0.948 298 K CA -1.048 55.270 56.287 0.051 0.000 0.842 298 K CB 1.880 34.412 32.500 0.053 0.000 1.392 298 K HN -0.115 nan 8.250 nan 0.000 0.436 299 V N 2.867 122.619 119.914 -0.271 0.000 2.455 299 V HA 0.186 4.280 4.120 -0.043 0.000 0.273 299 V C -0.645 175.108 176.094 -0.569 0.000 1.045 299 V CA -0.151 61.780 62.300 -0.614 0.000 0.976 299 V CB -0.496 31.028 31.823 -0.498 0.000 0.993 299 V HN 0.566 nan 8.190 nan 0.000 0.475 300 Y N 3.791 123.655 120.300 -0.727 0.000 2.612 300 Y HA 0.674 5.197 4.550 -0.044 0.000 0.334 300 Y C -0.261 175.149 175.900 -0.816 0.000 1.227 300 Y CA -1.113 56.596 58.100 -0.652 0.000 1.356 300 Y CB 1.093 39.404 38.460 -0.249 0.000 1.534 300 Y HN 0.494 nan 8.280 nan 0.000 0.576 301 Y N -0.720 119.628 120.300 0.079 0.000 2.536 301 Y HA 0.761 5.285 4.550 -0.044 0.000 0.347 301 Y C -0.073 175.853 175.900 0.043 0.000 1.000 301 Y CA -1.120 56.983 58.100 0.006 0.000 1.051 301 Y CB 1.822 40.257 38.460 -0.040 0.000 1.259 301 Y HN 0.614 nan 8.280 nan 0.000 0.468 302 A N 1.244 124.165 122.820 0.169 0.000 2.493 302 A HA 0.793 5.087 4.320 -0.043 0.000 0.300 302 A C -2.071 175.557 177.584 0.074 0.000 1.152 302 A CA -0.785 51.317 52.037 0.109 0.000 0.643 302 A CB 1.013 20.065 19.000 0.086 0.000 1.316 302 A HN 0.664 nan 8.150 nan 0.000 0.469 303 L N 0.063 121.323 121.223 0.062 0.000 2.335 303 L HA 0.741 5.055 4.340 -0.043 0.000 0.268 303 L C 0.317 177.223 176.870 0.061 0.000 1.016 303 L CA -0.529 54.345 54.840 0.056 0.000 0.805 303 L CB 1.862 43.953 42.059 0.054 0.000 1.311 303 L HN 1.058 nan 8.230 nan 0.000 0.456 304 E N -0.876 119.371 120.200 0.077 0.000 2.442 304 E HA 0.630 4.954 4.350 -0.043 0.000 0.271 304 E C -0.967 175.706 176.600 0.121 0.000 1.002 304 E CA -1.064 55.402 56.400 0.111 0.000 0.864 304 E CB 1.505 31.289 29.700 0.140 0.000 1.573 304 E HN 0.511 nan 8.360 nan 0.000 0.456 305 G N -0.018 108.876 108.800 0.157 0.000 2.356 305 G HA2 0.435 4.370 3.960 -0.043 0.000 0.322 305 G HA3 0.435 4.370 3.960 -0.043 0.000 0.322 305 G C -0.568 174.390 174.900 0.096 0.000 1.125 305 G CA -0.819 44.325 45.100 0.074 0.000 0.885 305 G HN 0.463 nan 8.290 nan 0.000 0.467 306 S N 1.362 117.089 115.700 0.045 0.000 2.473 306 S HA 0.476 4.921 4.470 -0.043 0.000 0.312 306 S C -0.333 174.252 174.600 -0.024 0.000 1.087 306 S CA -0.580 57.685 58.200 0.109 0.000 1.077 306 S CB 0.764 64.026 63.200 0.104 0.000 1.065 306 S HN 0.536 nan 8.310 nan 0.000 0.510 307 I N 2.067 122.584 120.570 -0.087 0.000 2.689 307 I HA 0.545 4.689 4.170 -0.043 0.000 0.299 307 I C 0.108 176.288 176.117 0.105 0.000 1.059 307 I CA -1.415 59.823 61.300 -0.105 0.000 1.055 307 I CB 1.664 39.477 38.000 -0.312 0.000 1.243 307 I HN 0.489 nan 8.210 nan 0.000 0.425 308 F N 6.745 126.739 119.950 0.073 0.000 2.104 308 F HA 0.333 4.847 4.527 -0.021 0.000 0.288 308 F C 0.378 176.297 175.800 0.198 0.000 1.107 308 F CA 1.806 59.891 58.000 0.141 0.000 1.208 308 F CB 0.270 39.263 39.000 -0.011 0.000 1.033 308 F HN 0.300 nan 8.300 nan 0.000 0.478 309 V N -3.425 116.685 119.914 0.327 0.000 3.226 309 V HA 0.884 4.979 4.120 -0.043 0.000 0.304 309 V C -0.359 175.818 176.094 0.139 0.000 1.336 309 V CA -0.397 62.028 62.300 0.208 0.000 1.066 309 V CB 0.751 32.634 31.823 0.100 0.000 1.087 309 V HN 0.280 nan 8.190 nan 0.000 0.451 310 A N 0.433 123.319 122.820 0.111 0.000 1.713 310 A HA 0.634 4.928 4.320 -0.043 0.000 0.164 310 A C 1.649 179.292 177.584 0.099 0.000 1.618 310 A CA 0.664 52.763 52.037 0.104 0.000 1.267 310 A CB -0.684 18.380 19.000 0.106 0.000 1.054 310 A HN 2.063 nan 8.150 nan 0.000 0.713 311 G N 0.680 109.541 108.800 0.101 0.000 2.916 311 G HA2 0.182 4.116 3.960 -0.043 0.000 0.205 311 G HA3 0.182 4.116 3.960 -0.043 0.000 0.205 311 G C 1.073 176.015 174.900 0.070 0.000 1.163 311 G CA 1.269 46.425 45.100 0.094 0.000 0.821 311 G HN 0.415 nan 8.290 nan 0.000 0.515 312 S N 0.868 116.575 115.700 0.012 0.000 2.383 312 S HA 0.004 4.448 4.470 -0.043 0.000 0.227 312 S C 2.791 177.499 174.600 0.179 0.000 1.026 312 S CA 0.890 59.020 58.200 -0.117 0.000 0.981 312 S CB -0.182 62.678 63.200 -0.567 0.000 0.818 312 S HN 0.563 nan 8.310 nan 0.000 0.472 313 A N 1.671 124.669 122.820 0.296 0.000 1.933 313 A HA -0.060 4.235 4.320 -0.043 0.000 0.218 313 A C 2.033 179.833 177.584 0.361 0.000 1.175 313 A CA 1.208 53.496 52.037 0.419 0.000 0.628 313 A CB -0.726 18.432 19.000 0.263 0.000 0.814 313 A HN 0.511 nan 8.150 nan 0.000 0.444 314 I N -1.000 119.703 120.570 0.221 0.000 2.252 314 I HA -0.248 3.896 4.170 -0.043 0.000 0.245 314 I C 2.722 178.940 176.117 0.169 0.000 1.102 314 I CA 1.638 63.034 61.300 0.160 0.000 1.385 314 I CB -0.432 37.631 38.000 0.105 0.000 1.064 314 I HN 0.472 nan 8.210 nan 0.000 0.414 315 Q N 0.196 120.104 119.800 0.179 0.000 2.297 315 Q HA -0.222 4.092 4.340 -0.043 0.000 0.204 315 Q C 2.032 178.183 176.000 0.251 0.000 0.962 315 Q CA 1.150 57.049 55.803 0.160 0.000 0.879 315 Q CB -0.013 28.791 28.738 0.110 0.000 0.947 315 Q HN 0.535 nan 8.270 nan 0.000 0.462 316 W N 1.846 123.223 121.300 0.130 0.000 2.381 316 W HA -0.233 4.402 4.660 -0.043 0.000 0.323 316 W C 1.985 178.539 176.519 0.058 0.000 1.194 316 W CA 1.629 59.064 57.345 0.151 0.000 1.296 316 W CB -0.869 28.754 29.460 0.273 0.000 1.175 316 W HN 0.264 nan 8.180 nan 0.000 0.465 317 L N 2.369 123.576 121.223 -0.025 0.000 2.043 317 L HA -0.203 4.111 4.340 -0.043 0.000 0.212 317 L C 2.081 178.868 176.870 -0.139 0.000 1.075 317 L CA 3.060 57.757 54.840 -0.238 0.000 0.752 317 L CB -2.350 39.642 42.059 -0.112 0.000 0.891 317 L HN 0.370 nan 8.230 nan 0.000 0.432 318 R N 0.192 120.672 120.500 -0.033 0.000 2.159 318 R HA -0.115 4.199 4.340 -0.043 0.000 0.237 318 R C 0.345 176.623 176.300 -0.036 0.000 1.131 318 R CA 1.608 57.694 56.100 -0.024 0.000 0.982 318 R CB -0.709 29.600 30.300 0.014 0.000 0.868 318 R HN 0.451 nan 8.270 nan 0.000 0.453 319 D N 0.052 120.433 120.400 -0.032 0.000 2.738 319 D HA 0.223 4.838 4.640 -0.043 0.000 0.246 319 D C 0.338 176.584 176.300 -0.090 0.000 1.270 319 D CA 0.398 54.383 54.000 -0.026 0.000 0.833 319 D CB 1.325 42.148 40.800 0.038 0.000 1.040 319 D HN 0.520 nan 8.370 nan 0.000 0.487 320 G N -0.074 108.624 108.800 -0.169 0.000 3.353 320 G HA2 0.055 3.989 3.960 -0.043 0.000 0.127 320 G HA3 0.055 3.989 3.960 -0.043 0.000 0.127 320 G C -0.374 174.382 174.900 -0.240 0.000 1.167 320 G CA -0.457 44.493 45.100 -0.250 0.000 1.459 320 G HN 0.160 nan 8.290 nan 0.000 0.702 321 L N 2.849 123.879 121.223 -0.320 0.000 2.391 321 L HA 0.314 4.628 4.340 -0.043 0.000 0.249 321 L C 2.004 178.771 176.870 -0.172 0.000 1.308 321 L CA -0.300 54.392 54.840 -0.248 0.000 1.209 321 L CB 0.303 42.192 42.059 -0.283 0.000 1.401 321 L HN 0.328 nan 8.230 nan 0.000 0.416 322 R N 1.449 121.869 120.500 -0.132 0.000 2.127 322 R HA -0.203 4.112 4.340 -0.043 0.000 0.228 322 R C 1.452 177.705 176.300 -0.079 0.000 1.125 322 R CA 1.782 57.828 56.100 -0.089 0.000 0.904 322 R CB -0.109 30.148 30.300 -0.072 0.000 0.831 322 R HN 0.488 nan 8.270 nan 0.000 0.431 323 M N -1.553 117.997 119.600 -0.084 0.000 7.319 323 M HA -0.323 4.132 4.480 -0.043 0.000 0.274 323 M C 1.756 178.024 176.300 -0.054 0.000 0.480 323 M CA 2.292 57.546 55.300 -0.077 0.000 1.311 323 M CB -2.006 30.538 32.600 -0.093 0.000 0.421 323 M HN 0.448 nan 8.290 nan 0.000 0.371 324 I N -0.732 119.812 120.570 -0.044 0.000 3.241 324 I HA -0.011 4.133 4.170 -0.043 0.000 0.280 324 I C 1.240 177.344 176.117 -0.022 0.000 1.320 324 I CA 1.599 62.882 61.300 -0.028 0.000 1.413 324 I CB -0.325 37.664 38.000 -0.018 0.000 1.060 324 I HN 0.630 nan 8.210 nan 0.000 0.500 325 E N 0.780 120.964 120.200 -0.027 0.000 4.429 325 E HA -0.251 4.073 4.350 -0.043 0.000 0.185 325 E C 0.761 177.355 176.600 -0.011 0.000 1.272 325 E CA 2.646 59.033 56.400 -0.021 0.000 2.340 325 E CB -1.492 28.198 29.700 -0.018 0.000 1.837 325 E HN 0.827 nan 8.360 nan 0.000 0.389 326 T N -2.002 112.549 114.554 -0.004 0.000 2.895 326 T HA 0.603 4.927 4.350 -0.043 0.000 0.283 326 T C 1.069 175.775 174.700 0.011 0.000 1.014 326 T CA -0.051 62.052 62.100 0.006 0.000 1.037 326 T CB 1.846 70.719 68.868 0.008 0.000 1.006 326 T HN 0.245 nan 8.240 nan 0.000 0.468 327 S N 0.644 116.357 115.700 0.021 0.000 2.414 327 S HA 0.081 4.525 4.470 -0.043 0.000 0.227 327 S C -0.933 173.683 174.600 0.026 0.000 1.022 327 S CA 0.231 58.447 58.200 0.027 0.000 0.958 327 S CB -1.713 61.511 63.200 0.040 0.000 0.797 327 S HN 0.562 nan 8.310 nan 0.000 0.493 328 P HA -0.019 nan 4.420 nan 0.000 0.234 328 P C 1.189 178.502 177.300 0.023 0.000 1.162 328 P CA 0.831 63.948 63.100 0.028 0.000 0.759 328 P CB -0.238 31.479 31.700 0.029 0.000 0.813 329 Q N -0.473 119.338 119.800 0.018 0.000 2.248 329 Q HA -0.161 4.153 4.340 -0.043 0.000 0.208 329 Q C 1.947 177.956 176.000 0.015 0.000 0.984 329 Q CA 1.726 57.537 55.803 0.014 0.000 0.875 329 Q CB -0.924 27.819 28.738 0.007 0.000 0.910 329 Q HN 0.152 nan 8.270 nan 0.000 0.433 330 S N 0.332 116.041 115.700 0.015 0.000 2.392 330 S HA -0.229 4.215 4.470 -0.043 0.000 0.232 330 S C 1.621 176.235 174.600 0.023 0.000 1.041 330 S CA 1.440 59.648 58.200 0.012 0.000 1.026 330 S CB -0.352 62.851 63.200 0.005 0.000 0.845 330 S HN 0.502 nan 8.310 nan 0.000 0.465 331 E N 1.305 121.522 120.200 0.029 0.000 2.107 331 E HA -0.101 4.223 4.350 -0.043 0.000 0.191 331 E C 1.297 177.919 176.600 0.038 0.000 0.982 331 E CA 0.883 57.306 56.400 0.039 0.000 0.809 331 E CB 0.094 29.820 29.700 0.044 0.000 0.756 331 E HN 0.645 nan 8.360 nan 0.000 0.459 332 E N 0.003 120.221 120.200 0.030 0.000 3.227 332 E HA 0.060 4.384 4.350 -0.043 0.000 0.455 332 E C 0.175 176.789 176.600 0.023 0.000 0.292 332 E CA -0.475 55.941 56.400 0.026 0.000 2.635 332 E CB -0.072 29.640 29.700 0.020 0.000 2.232 332 E HN -0.003 nan 8.360 nan 0.000 0.443 333 L N 0.844 122.077 121.223 0.016 0.000 2.449 333 L HA 0.060 4.374 4.340 -0.043 0.000 0.266 333 L C 0.280 177.157 176.870 0.011 0.000 1.321 333 L CA 0.857 55.705 54.840 0.012 0.000 1.194 333 L CB -0.371 41.691 42.059 0.005 0.000 1.384 333 L HN 0.489 nan 8.230 nan 0.000 0.438 334 A N 0.924 123.755 122.820 0.018 0.000 2.431 334 A HA 0.338 4.633 4.320 -0.043 0.000 0.149 334 A C 1.840 179.444 177.584 0.033 0.000 1.903 334 A CA 0.433 52.480 52.037 0.017 0.000 1.329 334 A CB -0.732 18.273 19.000 0.009 0.000 1.467 334 A HN 0.437 nan 8.150 nan 0.000 0.352 335 A N 1.731 124.576 122.820 0.043 0.000 1.859 335 A HA -0.154 4.140 4.320 -0.043 0.000 0.217 335 A C 1.789 179.415 177.584 0.070 0.000 1.198 335 A CA 2.492 54.566 52.037 0.063 0.000 0.629 335 A CB -0.619 18.416 19.000 0.057 0.000 0.830 335 A HN 0.722 nan 8.150 nan 0.000 0.446 336 K N 0.753 121.184 120.400 0.052 0.000 2.589 336 K HA 0.403 4.698 4.320 -0.043 0.000 0.192 336 K C 0.869 177.499 176.600 0.049 0.000 1.029 336 K CA 0.918 57.235 56.287 0.049 0.000 1.031 336 K CB -0.827 31.694 32.500 0.035 0.000 0.821 336 K HN 0.288 nan 8.250 nan 0.000 0.502 337 A N 1.361 124.211 122.820 0.051 0.000 2.281 337 A HA 0.099 4.393 4.320 -0.043 0.000 0.231 337 A C 0.348 177.968 177.584 0.060 0.000 1.317 337 A CA -0.127 51.934 52.037 0.040 0.000 0.959 337 A CB -0.513 18.499 19.000 0.021 0.000 0.900 337 A HN 0.285 nan 8.150 nan 0.000 0.497 338 K N -2.247 118.208 120.400 0.092 0.000 10.479 338 K HA -0.243 4.051 4.320 -0.043 0.000 0.489 338 K C 0.781 177.534 176.600 0.254 0.000 0.452 338 K CA 1.956 58.321 56.287 0.130 0.000 1.755 338 K CB -1.873 30.677 32.500 0.084 0.000 0.798 338 K HN 1.428 nan 8.250 nan 0.000 1.199 339 G N -0.577 108.321 108.800 0.164 0.000 2.488 339 G HA2 0.338 4.272 3.960 -0.043 0.000 0.301 339 G HA3 0.338 4.272 3.960 -0.043 0.000 0.301 339 G C -0.030 174.803 174.900 -0.111 0.000 1.339 339 G CA 0.503 45.657 45.100 0.090 0.000 0.803 339 G HN 0.280 nan 8.290 nan 0.000 0.482 340 D N -0.249 119.973 120.400 -0.296 0.000 2.103 340 D HA -0.139 4.475 4.640 -0.043 0.000 0.190 340 D C 0.963 177.138 176.300 -0.207 0.000 0.997 340 D CA 1.996 55.829 54.000 -0.278 0.000 0.833 340 D CB -0.016 40.553 40.800 -0.385 0.000 0.961 340 D HN 0.689 nan 8.370 nan 0.000 0.447 341 N N -0.445 118.150 118.700 -0.174 0.000 2.681 341 N HA -0.242 4.472 4.740 -0.043 0.000 0.265 341 N C -0.002 175.323 175.510 -0.308 0.000 1.157 341 N CA 1.273 54.230 53.050 -0.155 0.000 0.674 341 N CB -1.406 37.024 38.487 -0.094 0.000 0.887 341 N HN 0.638 nan 8.380 nan 0.000 0.557 342 E N -2.930 116.959 120.200 -0.518 0.000 3.904 342 E HA -0.325 3.999 4.350 -0.043 0.000 0.316 342 E C -0.695 175.232 176.600 -1.120 0.000 0.643 342 E CA 1.799 57.642 56.400 -0.929 0.000 1.129 342 E CB -1.727 27.716 29.700 -0.428 0.000 1.635 342 E HN 0.275 nan 8.360 nan 0.000 0.424 343 V N 2.844 122.348 119.914 -0.684 0.000 2.180 343 V HA 0.017 4.112 4.120 -0.043 0.000 0.238 343 V C -0.142 175.700 176.094 -0.421 0.000 1.337 343 V CA 0.652 62.688 62.300 -0.441 0.000 1.338 343 V CB -1.400 30.277 31.823 -0.243 0.000 1.431 343 V HN 0.181 nan 8.190 nan 0.000 0.498 344 Y N 1.675 121.856 120.300 -0.198 0.000 2.570 344 Y HA 0.247 4.771 4.550 -0.043 0.000 0.336 344 Y C 0.777 176.665 175.900 -0.020 0.000 1.284 344 Y CA -0.962 57.005 58.100 -0.221 0.000 1.761 344 Y CB -0.171 37.954 38.460 -0.559 0.000 1.724 344 Y HN 0.286 nan 8.280 nan 0.000 0.455 345 V N 4.151 124.097 119.914 0.053 0.000 2.324 345 V HA 0.001 4.095 4.120 -0.043 0.000 0.244 345 V C 0.413 176.545 176.094 0.063 0.000 1.144 345 V CA -0.796 61.496 62.300 -0.013 0.000 1.158 345 V CB -1.009 30.726 31.823 -0.147 0.000 1.254 345 V HN 0.479 nan 8.190 nan 0.000 0.492 346 V N 3.958 123.961 119.914 0.149 0.000 2.450 346 V HA 0.202 4.296 4.120 -0.043 0.000 0.281 346 V C -1.878 174.240 176.094 0.040 0.000 1.019 346 V CA -1.791 60.617 62.300 0.181 0.000 1.062 346 V CB -0.184 31.805 31.823 0.278 0.000 0.979 346 V HN 0.491 nan 8.190 nan 0.000 0.477 347 P HA 0.097 nan 4.420 nan 0.000 0.221 347 P C 0.114 177.461 177.300 0.079 0.000 1.287 347 P CA 1.046 64.204 63.100 0.096 0.000 1.317 347 P CB -0.176 31.617 31.700 0.156 0.000 1.721 348 A N 2.310 125.090 122.820 -0.068 0.000 2.690 348 A HA 0.353 4.648 4.320 -0.043 0.000 0.342 348 A C 0.669 178.137 177.584 -0.194 0.000 1.410 348 A CA -0.436 51.517 52.037 -0.141 0.000 0.958 348 A CB -0.507 18.371 19.000 -0.205 0.000 1.153 348 A HN 0.283 nan 8.150 nan 0.000 0.497 349 F N 1.471 121.240 119.950 -0.302 0.000 2.123 349 F HA 0.033 4.543 4.527 -0.029 0.000 0.289 349 F C 1.479 177.167 175.800 -0.188 0.000 1.099 349 F CA 1.677 59.531 58.000 -0.244 0.000 1.234 349 F CB 0.402 39.338 39.000 -0.107 0.000 1.034 349 F HN 0.466 nan 8.300 nan 0.000 0.479 350 T N -0.541 113.961 114.554 -0.088 0.000 3.038 350 T HA 0.635 4.959 4.350 -0.043 0.000 0.344 350 T C -0.180 174.158 174.700 -0.602 0.000 1.054 350 T CA -0.366 61.599 62.100 -0.225 0.000 1.092 350 T CB 0.672 69.481 68.868 -0.099 0.000 1.031 350 T HN 0.646 nan 8.240 nan 0.000 0.482 351 G N 1.547 110.093 108.800 -0.422 0.000 2.746 351 G HA2 0.000 3.935 3.960 -0.043 0.000 0.685 351 G HA3 0.000 3.935 3.960 -0.043 0.000 0.685 351 G C -0.292 174.333 174.900 -0.459 0.000 1.350 351 G CA -0.349 44.493 45.100 -0.431 0.000 0.837 351 G HN 0.654 nan 8.290 nan 0.000 0.564 352 L N 1.281 122.356 121.223 -0.246 0.000 2.347 352 L HA 0.672 4.986 4.340 -0.043 0.000 0.196 352 L C 2.093 178.928 176.870 -0.058 0.000 1.072 352 L CA 2.764 57.525 54.840 -0.132 0.000 0.817 352 L CB -0.772 41.281 42.059 -0.009 0.000 1.029 352 L HN 2.533 nan 8.230 nan 0.000 0.478 353 G N -1.605 107.212 108.800 0.029 0.000 2.384 353 G HA2 0.407 4.341 3.960 -0.043 0.000 0.204 353 G HA3 0.407 4.341 3.960 -0.043 0.000 0.204 353 G C -0.029 174.756 174.900 -0.192 0.000 1.237 353 G CA -0.584 44.581 45.100 0.110 0.000 1.060 353 G HN 1.117 nan 8.290 nan 0.000 0.514 354 A N -1.594 121.027 122.820 -0.332 0.000 6.226 354 A HA 0.087 4.381 4.320 -0.043 0.000 0.254 354 A C -1.298 175.610 177.584 -1.126 0.000 2.160 354 A CA 1.740 53.447 52.037 -0.550 0.000 0.705 354 A CB -1.513 17.283 19.000 -0.341 0.000 1.036 354 A HN 1.330 nan 8.150 nan 0.000 0.366 355 P HA 0.132 nan 4.420 nan 0.000 0.245 355 P C 0.505 177.066 177.300 -1.232 0.000 1.212 355 P CA 1.480 63.855 63.100 -1.209 0.000 0.774 355 P CB -0.133 30.932 31.700 -1.059 0.000 0.999 356 Y N -3.988 115.904 120.300 -0.678 0.000 2.507 356 Y HA 0.065 4.589 4.550 -0.042 0.000 0.263 356 Y C 1.418 177.220 175.900 -0.163 0.000 1.093 356 Y CA -0.499 57.402 58.100 -0.332 0.000 1.285 356 Y CB -0.718 37.638 38.460 -0.173 0.000 1.115 356 Y HN -0.096 nan 8.280 nan 0.000 0.533 357 W N -0.254 121.100 121.300 0.091 0.000 1.710 357 W HA -0.426 4.204 4.660 -0.051 0.000 0.299 357 W C -0.024 176.497 176.519 0.003 0.000 1.849 357 W CA 1.204 58.570 57.345 0.036 0.000 2.198 357 W CB -1.449 28.013 29.460 0.004 0.000 0.948 357 W HN -0.049 nan 8.180 nan 0.000 0.450 358 D N -0.764 119.797 120.400 0.269 0.000 3.585 358 D HA -0.104 4.511 4.640 -0.043 0.000 0.251 358 D C 0.073 176.405 176.300 0.054 0.000 1.065 358 D CA 0.968 55.038 54.000 0.117 0.000 1.048 358 D CB -1.177 39.658 40.800 0.059 0.000 0.952 358 D HN 0.265 nan 8.370 nan 0.000 0.421 359 S N 0.765 116.497 115.700 0.054 0.000 2.786 359 S HA -0.075 4.370 4.470 -0.043 0.000 0.223 359 S C 1.601 176.186 174.600 -0.025 0.000 0.956 359 S CA 0.450 58.649 58.200 -0.001 0.000 0.961 359 S CB 0.316 63.507 63.200 -0.016 0.000 0.784 359 S HN 0.636 nan 8.310 nan 0.000 0.519 360 E N -0.041 120.146 120.200 -0.021 0.000 2.641 360 E HA 0.208 4.532 4.350 -0.043 0.000 0.201 360 E C 0.203 176.784 176.600 -0.033 0.000 0.921 360 E CA -0.010 56.375 56.400 -0.025 0.000 1.551 360 E CB -0.440 29.255 29.700 -0.009 0.000 1.640 360 E HN 0.205 nan 8.360 nan 0.000 0.906 361 A N 2.530 125.329 122.820 -0.035 0.000 2.396 361 A HA 0.452 4.746 4.320 -0.043 0.000 0.279 361 A C 0.126 177.654 177.584 -0.094 0.000 1.165 361 A CA -0.153 51.855 52.037 -0.048 0.000 0.824 361 A CB -0.156 18.829 19.000 -0.025 0.000 1.100 361 A HN 0.218 nan 8.150 nan 0.000 0.516 362 R N 3.218 123.662 120.500 -0.093 0.000 2.393 362 R HA 0.549 4.864 4.340 -0.043 0.000 0.315 362 R C 0.151 176.357 176.300 -0.156 0.000 0.952 362 R CA 0.581 56.611 56.100 -0.117 0.000 0.842 362 R CB 0.922 31.182 30.300 -0.066 0.000 1.163 362 R HN 1.938 nan 8.270 nan 0.000 0.450 363 G N 1.807 110.470 108.800 -0.228 0.000 2.767 363 G HA2 0.182 4.117 3.960 -0.043 0.000 0.686 363 G HA3 0.182 4.117 3.960 -0.043 0.000 0.686 363 G C -0.911 173.777 174.900 -0.353 0.000 1.213 363 G CA -0.371 44.546 45.100 -0.306 0.000 0.803 363 G HN 1.033 nan 8.290 nan 0.000 0.603 364 A N 1.914 124.450 122.820 -0.473 0.000 2.667 364 A HA 0.755 5.049 4.320 -0.043 0.000 0.291 364 A C 0.709 177.822 177.584 -0.785 0.000 1.123 364 A CA 0.538 52.087 52.037 -0.813 0.000 0.832 364 A CB 0.841 19.336 19.000 -0.841 0.000 1.396 364 A HN 1.831 nan 8.150 nan 0.000 0.401 365 V N 2.274 121.811 119.914 -0.628 0.000 2.231 365 V HA 0.080 4.174 4.120 -0.043 0.000 0.240 365 V C 1.415 177.363 176.094 -0.243 0.000 1.039 365 V CA 1.947 64.030 62.300 -0.363 0.000 0.998 365 V CB -1.406 30.315 31.823 -0.170 0.000 0.639 365 V HN 0.963 nan 8.190 nan 0.000 0.451 366 F N -0.948 118.946 119.950 -0.093 0.000 2.174 366 F HA -0.178 4.323 4.527 -0.043 0.000 0.316 366 F C 1.307 177.033 175.800 -0.124 0.000 0.129 366 F CA 0.433 58.376 58.000 -0.095 0.000 0.907 366 F CB -1.561 37.389 39.000 -0.082 0.000 4.109 366 F HN 0.539 nan 8.300 nan 0.000 0.156 367 G N 0.854 109.696 108.800 0.071 0.000 2.395 367 G HA2 -0.223 3.712 3.960 -0.043 0.000 0.300 367 G HA3 -0.223 3.712 3.960 -0.043 0.000 0.300 367 G C -0.375 174.502 174.900 -0.038 0.000 0.998 367 G CA 0.062 45.116 45.100 -0.077 0.000 1.046 367 G HN 0.542 nan 8.290 nan 0.000 0.513 368 L N 1.421 122.638 121.223 -0.009 0.000 2.652 368 L HA 0.255 4.569 4.340 -0.043 0.000 0.284 368 L C 0.717 177.576 176.870 -0.020 0.000 1.204 368 L CA 1.134 55.975 54.840 0.002 0.000 1.105 368 L CB -1.337 40.727 42.059 0.009 0.000 1.393 368 L HN 0.276 nan 8.230 nan 0.000 0.452 369 T N 1.186 115.731 114.554 -0.015 0.000 2.952 369 T HA 0.229 4.554 4.350 -0.043 0.000 0.305 369 T C 0.995 175.689 174.700 -0.009 0.000 1.064 369 T CA -0.725 61.360 62.100 -0.025 0.000 1.008 369 T CB 2.494 71.331 68.868 -0.050 0.000 1.078 369 T HN 0.328 nan 8.240 nan 0.000 0.459 370 R N 2.311 122.803 120.500 -0.014 0.000 2.276 370 R HA -0.065 4.249 4.340 -0.043 0.000 0.243 370 R C 2.210 178.501 176.300 -0.015 0.000 1.161 370 R CA 2.058 58.150 56.100 -0.014 0.000 1.007 370 R CB -0.948 29.340 30.300 -0.019 0.000 0.867 370 R HN 0.844 nan 8.270 nan 0.000 0.472 371 G N -0.764 108.026 108.800 -0.016 0.000 2.462 371 G HA2 -0.253 3.681 3.960 -0.043 0.000 0.220 371 G HA3 -0.253 3.681 3.960 -0.043 0.000 0.220 371 G C 0.471 175.369 174.900 -0.003 0.000 1.121 371 G CA 1.110 46.200 45.100 -0.016 0.000 0.758 371 G HN 0.525 nan 8.290 nan 0.000 0.559 372 T N 1.258 115.830 114.554 0.030 0.000 3.738 372 T HA 0.332 4.657 4.350 -0.043 0.000 0.231 372 T C 1.064 175.730 174.700 -0.057 0.000 0.967 372 T CA 0.449 62.599 62.100 0.083 0.000 1.227 372 T CB -0.388 68.627 68.868 0.245 0.000 1.136 372 T HN 0.341 nan 8.240 nan 0.000 0.807 373 T N 0.535 115.033 114.554 -0.093 0.000 3.753 373 T HA 0.288 4.613 4.350 -0.043 0.000 0.299 373 T C 1.561 176.114 174.700 -0.246 0.000 1.202 373 T CA -0.374 61.640 62.100 -0.143 0.000 0.945 373 T CB 0.455 69.267 68.868 -0.094 0.000 2.279 373 T HN 0.473 nan 8.240 nan 0.000 0.509 374 K N 0.708 120.991 120.400 -0.195 0.000 1.991 374 K HA 0.076 4.371 4.320 -0.043 0.000 0.208 374 K C 1.807 178.290 176.600 -0.195 0.000 1.038 374 K CA 0.759 56.913 56.287 -0.222 0.000 0.943 374 K CB -0.246 32.161 32.500 -0.154 0.000 0.736 374 K HN 0.334 nan 8.250 nan 0.000 0.440 375 E N 1.272 121.403 120.200 -0.114 0.000 2.494 375 E HA -0.066 4.259 4.350 -0.043 0.000 0.193 375 E C 0.695 177.279 176.600 -0.027 0.000 1.074 375 E CA 0.526 56.887 56.400 -0.066 0.000 0.867 375 E CB 0.061 29.733 29.700 -0.047 0.000 0.924 375 E HN 0.424 nan 8.360 nan 0.000 0.502 376 D N 0.300 120.684 120.400 -0.028 0.000 2.077 376 D HA -0.087 4.527 4.640 -0.043 0.000 0.196 376 D C 1.460 177.868 176.300 0.179 0.000 0.986 376 D CA 0.825 54.858 54.000 0.055 0.000 0.829 376 D CB -0.110 40.729 40.800 0.065 0.000 0.983 376 D HN 0.130 nan 8.370 nan 0.000 0.453 377 F N 0.062 119.971 119.950 -0.067 0.000 2.141 377 F HA -0.308 4.193 4.527 -0.042 0.000 0.300 377 F C 2.270 178.044 175.800 -0.044 0.000 1.079 377 F CA 0.219 58.185 58.000 -0.057 0.000 1.264 377 F CB -0.263 38.692 39.000 -0.076 0.000 1.011 377 F HN -0.036 nan 8.300 nan 0.000 0.487 378 V N 0.274 120.275 119.914 0.145 0.000 2.217 378 V HA -0.396 3.698 4.120 -0.043 0.000 0.248 378 V C 2.275 178.382 176.094 0.022 0.000 1.050 378 V CA 2.335 64.673 62.300 0.063 0.000 1.007 378 V CB -0.774 31.066 31.823 0.028 0.000 0.639 378 V HN 0.278 nan 8.190 nan 0.000 0.452 379 R N -0.116 120.379 120.500 -0.008 0.000 2.249 379 R HA -0.143 4.171 4.340 -0.043 0.000 0.230 379 R C 2.238 178.477 176.300 -0.101 0.000 1.121 379 R CA 1.139 57.204 56.100 -0.059 0.000 0.997 379 R CB -0.450 29.804 30.300 -0.076 0.000 0.867 379 R HN 0.576 nan 8.270 nan 0.000 0.465 380 A N -0.314 122.462 122.820 -0.074 0.000 1.892 380 A HA -0.234 4.060 4.320 -0.043 0.000 0.218 380 A C 2.191 179.722 177.584 -0.087 0.000 1.188 380 A CA 2.258 54.231 52.037 -0.107 0.000 0.631 380 A CB -1.161 17.775 19.000 -0.107 0.000 0.822 380 A HN 0.454 nan 8.150 nan 0.000 0.447 381 T N -0.772 113.761 114.554 -0.034 0.000 2.746 381 T HA -0.120 4.204 4.350 -0.043 0.000 0.267 381 T C 1.836 176.518 174.700 -0.030 0.000 1.039 381 T CA 1.465 63.567 62.100 0.003 0.000 1.142 381 T CB -0.476 68.426 68.868 0.057 0.000 0.866 381 T HN 0.405 nan 8.240 nan 0.000 0.444 382 L N 0.576 121.761 121.223 -0.064 0.000 1.990 382 L HA -0.194 4.120 4.340 -0.043 0.000 0.213 382 L C 2.820 179.598 176.870 -0.153 0.000 1.072 382 L CA 1.798 56.578 54.840 -0.099 0.000 0.755 382 L CB -0.452 41.545 42.059 -0.104 0.000 0.889 382 L HN 0.335 nan 8.230 nan 0.000 0.432 383 Q N -0.047 119.601 119.800 -0.254 0.000 2.016 383 Q HA -0.188 4.126 4.340 -0.043 0.000 0.200 383 Q C 2.346 178.175 176.000 -0.284 0.000 0.978 383 Q CA 1.657 57.197 55.803 -0.438 0.000 0.833 383 Q CB -0.664 27.688 28.738 -0.643 0.000 0.895 383 Q HN 0.702 nan 8.270 nan 0.000 0.427 384 A N 1.110 123.859 122.820 -0.119 0.000 1.869 384 A HA -0.205 4.090 4.320 -0.043 0.000 0.218 384 A C 2.524 180.218 177.584 0.183 0.000 1.203 384 A CA 2.218 54.320 52.037 0.109 0.000 0.638 384 A CB -1.114 17.961 19.000 0.126 0.000 0.831 384 A HN 0.206 nan 8.150 nan 0.000 0.450 385 V N -0.206 119.766 119.914 0.098 0.000 2.252 385 V HA -0.322 3.772 4.120 -0.043 0.000 0.249 385 V C 3.083 179.262 176.094 0.141 0.000 1.056 385 V CA 2.357 64.719 62.300 0.103 0.000 1.022 385 V CB -1.420 30.433 31.823 0.051 0.000 0.641 385 V HN 0.686 nan 8.190 nan 0.000 0.445 386 A N -1.393 121.499 122.820 0.121 0.000 1.883 386 A HA -0.258 4.037 4.320 -0.043 0.000 0.217 386 A C 2.104 179.894 177.584 0.344 0.000 1.186 386 A CA 2.102 54.257 52.037 0.198 0.000 0.624 386 A CB -0.896 18.217 19.000 0.187 0.000 0.822 386 A HN 0.643 nan 8.150 nan 0.000 0.444 387 Y N -0.231 120.159 120.300 0.149 0.000 2.274 387 Y HA -0.243 4.280 4.550 -0.045 0.000 0.290 387 Y C 2.823 178.743 175.900 0.033 0.000 1.145 387 Y CA 1.184 59.415 58.100 0.219 0.000 1.203 387 Y CB -0.157 38.587 38.460 0.473 0.000 0.984 387 Y HN 0.436 nan 8.280 nan 0.000 0.533 388 Q N -0.475 119.425 119.800 0.167 0.000 2.124 388 Q HA -0.166 4.149 4.340 -0.043 0.000 0.202 388 Q C 2.367 178.320 176.000 -0.078 0.000 0.977 388 Q CA 1.696 57.464 55.803 -0.059 0.000 0.850 388 Q CB -0.133 28.613 28.738 0.014 0.000 0.901 388 Q HN 0.338 nan 8.270 nan 0.000 0.429 389 S N 0.626 116.345 115.700 0.031 0.000 2.368 389 S HA -0.120 4.324 4.470 -0.043 0.000 0.224 389 S C 1.747 176.335 174.600 -0.021 0.000 1.029 389 S CA 1.030 59.246 58.200 0.027 0.000 0.988 389 S CB -0.071 63.210 63.200 0.134 0.000 0.838 389 S HN 0.136 nan 8.310 nan 0.000 0.462 390 K N 1.676 122.066 120.400 -0.016 0.000 2.103 390 K HA -0.096 4.199 4.320 -0.043 0.000 0.207 390 K C 1.720 178.250 176.600 -0.117 0.000 1.048 390 K CA 1.144 57.396 56.287 -0.059 0.000 0.930 390 K CB -0.549 31.901 32.500 -0.083 0.000 0.716 390 K HN 0.160 nan 8.250 nan 0.000 0.444 391 D N -0.576 119.675 120.400 -0.247 0.000 2.106 391 D HA -0.154 4.460 4.640 -0.043 0.000 0.191 391 D C 1.708 177.891 176.300 -0.195 0.000 0.997 391 D CA 1.900 55.694 54.000 -0.342 0.000 0.834 391 D CB -0.073 40.398 40.800 -0.547 0.000 0.956 391 D HN 0.081 nan 8.370 nan 0.000 0.448 392 V N -1.029 118.785 119.914 -0.166 0.000 2.548 392 V HA -0.105 3.990 4.120 -0.043 0.000 0.249 392 V C 2.458 178.510 176.094 -0.069 0.000 1.055 392 V CA 0.627 62.857 62.300 -0.117 0.000 1.065 392 V CB -0.506 31.257 31.823 -0.100 0.000 0.681 392 V HN 0.084 nan 8.190 nan 0.000 0.462 393 I N 1.913 122.449 120.570 -0.056 0.000 2.099 393 I HA -0.228 3.917 4.170 -0.043 0.000 0.239 393 I C 2.424 178.520 176.117 -0.035 0.000 1.066 393 I CA 2.450 63.729 61.300 -0.034 0.000 1.324 393 I CB -1.476 36.509 38.000 -0.024 0.000 1.037 393 I HN 0.358 nan 8.210 nan 0.000 0.401 394 D N 0.561 120.937 120.400 -0.040 0.000 2.116 394 D HA -0.199 4.416 4.640 -0.043 0.000 0.193 394 D C 2.163 178.449 176.300 -0.023 0.000 0.998 394 D CA 2.492 56.468 54.000 -0.041 0.000 0.836 394 D CB -0.113 40.665 40.800 -0.037 0.000 0.951 394 D HN 0.450 nan 8.370 nan 0.000 0.449 395 T N -1.337 113.207 114.554 -0.016 0.000 2.867 395 T HA -0.192 4.132 4.350 -0.043 0.000 0.268 395 T C 1.905 176.595 174.700 -0.017 0.000 1.057 395 T CA 0.808 62.899 62.100 -0.014 0.000 1.136 395 T CB -0.323 68.521 68.868 -0.040 0.000 0.874 395 T HN 0.126 nan 8.240 nan 0.000 0.466 396 M N 1.030 120.617 119.600 -0.021 0.000 2.065 396 M HA -0.097 4.358 4.480 -0.043 0.000 0.259 396 M C 2.541 178.838 176.300 -0.005 0.000 1.069 396 M CA 1.921 57.215 55.300 -0.010 0.000 1.110 396 M CB -0.256 32.338 32.600 -0.009 0.000 1.328 396 M HN 0.213 nan 8.290 nan 0.000 0.405 397 K N 0.037 120.431 120.400 -0.010 0.000 2.152 397 K HA -0.178 4.116 4.320 -0.043 0.000 0.206 397 K C 1.678 178.275 176.600 -0.005 0.000 1.048 397 K CA 1.245 57.527 56.287 -0.008 0.000 0.933 397 K CB 0.047 32.538 32.500 -0.015 0.000 0.721 397 K HN 0.245 nan 8.250 nan 0.000 0.447 398 K N 0.903 121.299 120.400 -0.006 0.000 2.281 398 K HA -0.172 4.122 4.320 -0.043 0.000 0.203 398 K C 1.579 178.181 176.600 0.004 0.000 1.046 398 K CA 1.323 57.609 56.287 -0.001 0.000 0.938 398 K CB -0.085 32.417 32.500 0.003 0.000 0.737 398 K HN 0.485 nan 8.250 nan 0.000 0.458 399 D N -0.447 119.956 120.400 0.005 0.000 2.995 399 D HA 0.043 4.658 4.640 -0.043 0.000 0.289 399 D C 1.501 177.807 176.300 0.010 0.000 1.116 399 D CA 0.316 54.321 54.000 0.009 0.000 0.994 399 D CB 0.428 41.234 40.800 0.011 0.000 1.209 399 D HN -0.088 nan 8.370 nan 0.000 0.458 400 S N -0.172 115.534 115.700 0.011 0.000 2.370 400 S HA 0.007 4.451 4.470 -0.043 0.000 0.226 400 S C 1.792 176.399 174.600 0.012 0.000 1.033 400 S CA 1.769 59.977 58.200 0.014 0.000 1.011 400 S CB -0.308 62.901 63.200 0.016 0.000 0.852 400 S HN 0.678 nan 8.310 nan 0.000 0.457 401 G N 0.599 109.404 108.800 0.008 0.000 2.199 401 G HA2 -0.260 3.674 3.960 -0.043 0.000 0.254 401 G HA3 -0.260 3.674 3.960 -0.043 0.000 0.254 401 G C 0.118 175.022 174.900 0.007 0.000 0.982 401 G CA 0.177 45.281 45.100 0.007 0.000 0.632 401 G HN 0.506 nan 8.290 nan 0.000 0.529 402 I N 2.643 123.219 120.570 0.010 0.000 2.363 402 I HA 0.273 4.418 4.170 -0.043 0.000 0.292 402 I C -0.194 175.927 176.117 0.007 0.000 1.075 402 I CA -0.731 60.576 61.300 0.011 0.000 1.333 402 I CB 0.615 38.624 38.000 0.016 0.000 1.415 402 I HN -0.045 nan 8.210 nan 0.000 0.502 403 D N 7.226 127.629 120.400 0.005 0.000 2.372 403 D HA 0.308 4.923 4.640 -0.043 0.000 0.243 403 D C 0.141 176.443 176.300 0.004 0.000 1.121 403 D CA 0.125 54.126 54.000 0.002 0.000 0.898 403 D CB 1.336 42.137 40.800 0.001 0.000 1.202 403 D HN 0.312 nan 8.370 nan 0.000 0.428 404 I N 3.092 123.663 120.570 0.002 0.000 2.315 404 I HA 0.195 4.339 4.170 -0.043 0.000 0.291 404 I C -1.714 174.408 176.117 0.008 0.000 1.006 404 I CA -1.496 59.807 61.300 0.005 0.000 1.265 404 I CB 1.236 39.238 38.000 0.003 0.000 1.387 404 I HN 0.068 nan 8.210 nan 0.000 0.475 405 P HA 0.206 nan 4.420 nan 0.000 0.343 405 P C -0.760 176.552 177.300 0.021 0.000 1.358 405 P CA -0.401 62.708 63.100 0.015 0.000 0.802 405 P CB 0.269 31.978 31.700 0.015 0.000 1.886 406 L N -0.173 121.066 121.223 0.025 0.000 2.505 406 L HA 0.200 4.515 4.340 -0.043 0.000 0.279 406 L C 0.470 177.356 176.870 0.027 0.000 1.211 406 L CA 0.211 55.072 54.840 0.035 0.000 1.059 406 L CB -2.311 39.771 42.059 0.039 0.000 1.340 406 L HN 0.074 nan 8.230 nan 0.000 0.447 407 L N -0.500 120.737 121.223 0.024 0.000 2.464 407 L HA 0.542 4.856 4.340 -0.043 0.000 0.264 407 L C 0.311 177.184 176.870 0.004 0.000 1.199 407 L CA -0.671 54.172 54.840 0.006 0.000 0.818 407 L CB 0.282 42.339 42.059 -0.002 0.000 1.102 407 L HN 0.240 nan 8.230 nan 0.000 0.473 408 K N 1.953 122.341 120.400 -0.021 0.000 2.172 408 K HA 0.600 4.895 4.320 -0.043 0.000 0.276 408 K C -0.722 175.841 176.600 -0.062 0.000 1.013 408 K CA -0.349 55.921 56.287 -0.029 0.000 0.913 408 K CB 1.741 34.214 32.500 -0.046 0.000 1.055 408 K HN 0.617 nan 8.250 nan 0.000 0.461 409 V N -0.520 119.365 119.914 -0.049 0.000 2.876 409 V HA 0.796 4.890 4.120 -0.043 0.000 0.312 409 V C -1.075 174.983 176.094 -0.059 0.000 1.085 409 V CA -0.863 61.367 62.300 -0.117 0.000 0.945 409 V CB 2.079 33.840 31.823 -0.102 0.000 1.017 409 V HN 0.905 nan 8.190 nan 0.000 0.428 410 D N 1.035 121.377 120.400 -0.097 0.000 2.692 410 D HA 0.742 5.357 4.640 -0.043 0.000 0.290 410 D C -0.260 176.040 176.300 0.000 0.000 1.281 410 D CA 0.154 54.143 54.000 -0.019 0.000 0.804 410 D CB 1.487 42.266 40.800 -0.035 0.000 1.331 410 D HN 1.963 nan 8.370 nan 0.000 0.432 411 G N -1.977 106.851 108.800 0.046 0.000 2.316 411 G HA2 0.428 4.362 3.960 -0.043 0.000 0.468 411 G HA3 0.428 4.362 3.960 -0.043 0.000 0.468 411 G C 0.530 175.490 174.900 0.100 0.000 1.523 411 G CA 0.176 45.319 45.100 0.072 0.000 0.972 411 G HN 0.856 nan 8.290 nan 0.000 0.667 412 G N 0.104 108.959 108.800 0.092 0.000 2.421 412 G HA2 0.233 4.167 3.960 -0.043 0.000 0.216 412 G HA3 0.233 4.167 3.960 -0.043 0.000 0.216 412 G C 2.001 176.963 174.900 0.102 0.000 1.171 412 G CA 2.577 47.731 45.100 0.090 0.000 0.775 412 G HN 1.896 nan 8.290 nan 0.000 0.543 413 A N 0.760 123.653 122.820 0.122 0.000 2.016 413 A HA 0.499 4.793 4.320 -0.043 0.000 0.217 413 A C 2.626 180.294 177.584 0.140 0.000 1.162 413 A CA 1.591 53.700 52.037 0.120 0.000 0.662 413 A CB -0.421 18.655 19.000 0.127 0.000 0.812 413 A HN 0.733 nan 8.150 nan 0.000 0.450 414 A N 0.104 123.056 122.820 0.221 0.000 2.172 414 A HA -0.061 4.233 4.320 -0.043 0.000 0.216 414 A C 1.827 179.529 177.584 0.197 0.000 1.154 414 A CA 1.261 53.489 52.037 0.318 0.000 0.701 414 A CB -0.437 18.817 19.000 0.422 0.000 0.789 414 A HN 0.531 nan 8.150 nan 0.000 0.465 415 K N 0.150 120.632 120.400 0.137 0.000 2.360 415 K HA -0.156 4.138 4.320 -0.043 0.000 0.201 415 K C 0.448 177.107 176.600 0.099 0.000 1.046 415 K CA 0.694 57.048 56.287 0.112 0.000 0.940 415 K CB -0.292 32.262 32.500 0.089 0.000 0.748 415 K HN 0.502 nan 8.250 nan 0.000 0.465 416 N N 2.068 120.812 118.700 0.074 0.000 2.400 416 N HA -0.044 4.671 4.740 -0.043 0.000 0.267 416 N C -0.402 175.136 175.510 0.047 0.000 1.208 416 N CA 0.201 53.280 53.050 0.048 0.000 0.951 416 N CB 0.675 39.168 38.487 0.010 0.000 1.227 416 N HN -0.008 nan 8.380 nan 0.000 0.488 417 D N 2.229 122.685 120.400 0.094 0.000 2.172 417 D HA -0.228 4.386 4.640 -0.043 0.000 0.196 417 D C 1.654 177.922 176.300 -0.053 0.000 0.999 417 D CA 0.978 55.060 54.000 0.138 0.000 0.856 417 D CB -0.012 40.954 40.800 0.278 0.000 0.934 417 D HN 0.473 nan 8.370 nan 0.000 0.453 418 L N 0.156 121.372 121.223 -0.013 0.000 2.127 418 L HA -0.096 4.219 4.340 -0.043 0.000 0.211 418 L C 1.853 178.678 176.870 -0.075 0.000 1.089 418 L CA 1.193 56.012 54.840 -0.035 0.000 0.757 418 L CB -0.469 41.613 42.059 0.038 0.000 0.899 418 L HN 0.063 nan 8.230 nan 0.000 0.434 419 L N -1.354 119.808 121.223 -0.100 0.000 2.127 419 L HA -0.226 4.089 4.340 -0.043 0.000 0.211 419 L C 2.260 179.032 176.870 -0.164 0.000 1.089 419 L CA 1.774 56.518 54.840 -0.161 0.000 0.757 419 L CB -0.425 41.447 42.059 -0.313 0.000 0.899 419 L HN 0.290 nan 8.230 nan 0.000 0.434 420 M N -1.263 118.206 119.600 -0.218 0.000 2.132 420 M HA -0.183 4.271 4.480 -0.043 0.000 0.263 420 M C 2.181 178.319 176.300 -0.270 0.000 1.065 420 M CA 1.612 56.776 55.300 -0.227 0.000 1.122 420 M CB -0.617 31.722 32.600 -0.434 0.000 1.365 420 M HN 0.283 nan 8.290 nan 0.000 0.411 421 Q N -1.332 118.227 119.800 -0.402 0.000 2.020 421 Q HA -0.119 4.195 4.340 -0.043 0.000 0.202 421 Q C 1.534 177.492 176.000 -0.070 0.000 0.982 421 Q CA 1.358 57.013 55.803 -0.247 0.000 0.838 421 Q CB -0.345 28.260 28.738 -0.222 0.000 0.899 421 Q HN 0.437 nan 8.270 nan 0.000 0.423 422 F N 0.735 120.656 119.950 -0.048 0.000 2.716 422 F HA -0.038 4.463 4.527 -0.043 0.000 0.301 422 F C 1.961 177.845 175.800 0.140 0.000 1.210 422 F CA 0.136 58.174 58.000 0.064 0.000 1.422 422 F CB 0.262 39.301 39.000 0.066 0.000 1.073 422 F HN 0.153 nan 8.300 nan 0.000 0.525 423 Q N -0.692 119.242 119.800 0.224 0.000 2.618 423 Q HA 0.141 4.455 4.340 -0.043 0.000 0.209 423 Q C 2.193 178.248 176.000 0.092 0.000 0.797 423 Q CA 0.717 56.631 55.803 0.185 0.000 0.888 423 Q CB -0.134 28.698 28.738 0.157 0.000 1.244 423 Q HN 0.179 nan 8.270 nan 0.000 0.626 424 A N 2.400 125.256 122.820 0.059 0.000 2.131 424 A HA -0.219 4.076 4.320 -0.043 0.000 0.220 424 A C 1.587 179.177 177.584 0.011 0.000 1.158 424 A CA 1.619 53.678 52.037 0.035 0.000 0.665 424 A CB -0.804 18.220 19.000 0.040 0.000 0.795 424 A HN 0.790 nan 8.150 nan 0.000 0.460 425 D N 0.586 120.988 120.400 0.003 0.000 2.137 425 D HA -0.273 4.341 4.640 -0.043 0.000 0.189 425 D C 1.887 178.173 176.300 -0.023 0.000 0.998 425 D CA 1.786 55.773 54.000 -0.023 0.000 0.839 425 D CB -0.781 39.989 40.800 -0.049 0.000 0.962 425 D HN 0.524 nan 8.370 nan 0.000 0.446 426 I N 0.215 120.766 120.570 -0.031 0.000 2.493 426 I HA -0.175 3.969 4.170 -0.043 0.000 0.254 426 I C 2.240 178.320 176.117 -0.062 0.000 1.160 426 I CA 0.616 61.882 61.300 -0.056 0.000 1.445 426 I CB 0.010 37.952 38.000 -0.095 0.000 1.086 426 I HN -0.002 nan 8.210 nan 0.000 0.433 427 L N 0.370 121.566 121.223 -0.045 0.000 2.395 427 L HA -0.024 4.290 4.340 -0.043 0.000 0.218 427 L C 0.226 177.081 176.870 -0.024 0.000 1.130 427 L CA 0.412 55.229 54.840 -0.038 0.000 0.826 427 L CB -0.540 41.507 42.059 -0.020 0.000 0.941 427 L HN 0.264 nan 8.230 nan 0.000 0.451 428 D N 0.936 121.326 120.400 -0.017 0.000 2.705 428 D HA -0.191 4.424 4.640 -0.043 0.000 0.240 428 D C -0.319 175.982 176.300 0.002 0.000 1.137 428 D CA 0.760 54.755 54.000 -0.009 0.000 0.677 428 D CB -0.652 40.139 40.800 -0.015 0.000 1.049 428 D HN 0.195 nan 8.370 nan 0.000 0.427 429 I N -0.244 120.333 120.570 0.013 0.000 3.244 429 I HA 0.266 4.411 4.170 -0.043 0.000 0.314 429 I C -1.131 175.011 176.117 0.042 0.000 1.342 429 I CA -0.577 60.737 61.300 0.023 0.000 0.925 429 I CB 2.123 40.134 38.000 0.019 0.000 1.321 429 I HN -0.210 nan 8.210 nan 0.000 0.500 430 D N 0.934 121.365 120.400 0.053 0.000 2.437 430 D HA 0.760 5.374 4.640 -0.043 0.000 0.259 430 D C -1.175 175.177 176.300 0.087 0.000 1.118 430 D CA -0.050 54.000 54.000 0.083 0.000 1.017 430 D CB 1.603 42.453 40.800 0.084 0.000 1.120 430 D HN 0.268 nan 8.370 nan 0.000 0.541 431 V N 0.022 120.013 119.914 0.128 0.000 3.049 431 V HA 0.452 4.546 4.120 -0.043 0.000 0.309 431 V C -1.300 174.888 176.094 0.155 0.000 1.148 431 V CA -0.927 61.447 62.300 0.123 0.000 0.990 431 V CB 1.950 33.852 31.823 0.132 0.000 1.039 431 V HN 0.587 nan 8.190 nan 0.000 0.430 432 Q N 2.521 122.389 119.800 0.113 0.000 2.294 432 Q HA 0.571 4.886 4.340 -0.043 0.000 0.264 432 Q C -0.743 175.311 176.000 0.091 0.000 0.992 432 Q CA -0.917 54.950 55.803 0.106 0.000 0.747 432 Q CB 1.914 30.690 28.738 0.065 0.000 1.262 432 Q HN 0.815 nan 8.270 nan 0.000 0.452 433 R N 1.240 121.813 120.500 0.123 0.000 2.316 433 R HA 0.599 4.914 4.340 -0.043 0.000 0.314 433 R C -0.303 176.036 176.300 0.064 0.000 1.069 433 R CA -0.172 55.988 56.100 0.100 0.000 0.959 433 R CB 0.567 30.957 30.300 0.149 0.000 0.987 433 R HN 0.603 nan 8.270 nan 0.000 0.446 434 A N 3.384 126.226 122.820 0.037 0.000 2.511 434 A HA 0.296 4.591 4.320 -0.043 0.000 0.242 434 A C 0.763 178.370 177.584 0.039 0.000 1.069 434 A CA 0.072 52.126 52.037 0.027 0.000 0.763 434 A CB 0.109 19.110 19.000 0.002 0.000 1.001 434 A HN 0.960 nan 8.150 nan 0.000 0.498 435 A N 3.583 126.428 122.820 0.042 0.000 3.092 435 A HA 0.382 4.676 4.320 -0.043 0.000 0.278 435 A C 0.502 178.121 177.584 0.058 0.000 1.956 435 A CA 0.321 52.386 52.037 0.048 0.000 1.501 435 A CB -1.057 17.969 19.000 0.044 0.000 0.977 435 A HN 0.886 nan 8.150 nan 0.000 0.607 436 N N 1.455 120.192 118.700 0.061 0.000 4.430 436 N HA 0.030 4.744 4.740 -0.043 0.000 0.181 436 N C 0.295 175.849 175.510 0.074 0.000 1.061 436 N CA -0.527 52.572 53.050 0.082 0.000 1.089 436 N CB 0.229 38.775 38.487 0.098 0.000 1.586 436 N HN 0.141 nan 8.380 nan 0.000 0.881 437 L N 1.665 122.936 121.223 0.081 0.000 2.079 437 L HA -0.033 4.281 4.340 -0.043 0.000 0.210 437 L C 0.458 177.372 176.870 0.074 0.000 1.081 437 L CA 1.259 56.145 54.840 0.076 0.000 0.752 437 L CB -0.050 42.051 42.059 0.069 0.000 0.896 437 L HN 0.532 nan 8.230 nan 0.000 0.433 438 E N -1.181 119.078 120.200 0.099 0.000 4.044 438 E HA 0.115 4.440 4.350 -0.043 0.000 0.216 438 E C 0.654 177.234 176.600 -0.034 0.000 1.104 438 E CA -0.114 56.319 56.400 0.054 0.000 1.383 438 E CB 0.610 30.368 29.700 0.096 0.000 1.195 438 E HN 0.108 nan 8.360 nan 0.000 0.442 439 T N -0.217 114.301 114.554 -0.061 0.000 2.848 439 T HA -0.203 4.121 4.350 -0.043 0.000 0.269 439 T C 1.938 176.450 174.700 -0.312 0.000 1.081 439 T CA 1.743 63.742 62.100 -0.167 0.000 1.125 439 T CB -0.160 68.631 68.868 -0.129 0.000 0.848 439 T HN 0.269 nan 8.240 nan 0.000 0.503 440 T N 2.068 116.466 114.554 -0.260 0.000 2.665 440 T HA -0.168 4.157 4.350 -0.043 0.000 0.268 440 T C 2.421 176.874 174.700 -0.412 0.000 1.035 440 T CA 1.345 63.259 62.100 -0.310 0.000 1.151 440 T CB -0.641 68.107 68.868 -0.200 0.000 0.862 440 T HN 0.541 nan 8.240 nan 0.000 0.438 441 A N 1.095 123.665 122.820 -0.418 0.000 1.940 441 A HA -0.018 4.276 4.320 -0.043 0.000 0.219 441 A C 2.318 179.496 177.584 -0.677 0.000 1.176 441 A CA 1.230 52.967 52.037 -0.500 0.000 0.631 441 A CB -0.859 17.827 19.000 -0.523 0.000 0.814 441 A HN 0.507 nan 8.150 nan 0.000 0.446 442 L N -0.823 119.896 121.223 -0.841 0.000 2.131 442 L HA -0.130 4.184 4.340 -0.043 0.000 0.210 442 L C 2.792 178.967 176.870 -1.159 0.000 1.092 442 L CA 0.849 55.078 54.840 -1.020 0.000 0.759 442 L CB -0.897 40.601 42.059 -0.935 0.000 0.903 442 L HN 0.517 nan 8.230 nan 0.000 0.435 443 G N -0.003 108.225 108.800 -0.953 0.000 2.587 443 G HA2 -0.330 3.604 3.960 -0.043 0.000 0.217 443 G HA3 -0.330 3.604 3.960 -0.043 0.000 0.217 443 G C 1.734 176.183 174.900 -0.751 0.000 1.240 443 G CA 0.972 45.390 45.100 -1.137 0.000 0.794 443 G HN 0.462 nan 8.290 nan 0.000 0.580 444 A N 0.958 123.482 122.820 -0.494 0.000 1.940 444 A HA 0.209 4.503 4.320 -0.043 0.000 0.219 444 A C 2.826 180.302 177.584 -0.180 0.000 1.176 444 A CA 2.451 54.408 52.037 -0.133 0.000 0.631 444 A CB -0.833 18.091 19.000 -0.127 0.000 0.814 444 A HN 0.980 nan 8.150 nan 0.000 0.446 445 A N -1.066 121.559 122.820 -0.325 0.000 1.908 445 A HA -0.149 4.145 4.320 -0.043 0.000 0.218 445 A C 2.040 179.492 177.584 -0.220 0.000 1.181 445 A CA 1.688 53.557 52.037 -0.279 0.000 0.627 445 A CB -0.864 17.918 19.000 -0.363 0.000 0.818 445 A HN 0.557 nan 8.150 nan 0.000 0.445 446 Y N -0.081 119.966 120.300 -0.422 0.000 2.315 446 Y HA -0.100 4.431 4.550 -0.031 0.000 0.288 446 Y C 1.931 177.553 175.900 -0.463 0.000 1.154 446 Y CA 0.335 58.032 58.100 -0.673 0.000 1.229 446 Y CB -0.925 37.159 38.460 -0.626 0.000 0.980 446 Y HN 0.222 nan 8.280 nan 0.000 0.540 447 L N -0.758 120.417 121.223 -0.080 0.000 2.700 447 L HA -0.114 4.200 4.340 -0.043 0.000 0.240 447 L C 2.080 178.910 176.870 -0.066 0.000 1.162 447 L CA 0.591 55.392 54.840 -0.065 0.000 0.874 447 L CB -0.490 41.545 42.059 -0.040 0.000 1.001 447 L HN 0.160 nan 8.230 nan 0.000 0.447 448 A N -0.518 122.253 122.820 -0.082 0.000 1.973 448 A HA 0.167 4.462 4.320 -0.043 0.000 0.210 448 A C 2.275 179.882 177.584 0.038 0.000 1.200 448 A CA 0.776 52.794 52.037 -0.033 0.000 0.707 448 A CB -0.448 18.523 19.000 -0.048 0.000 0.862 448 A HN 0.351 nan 8.150 nan 0.000 0.461 449 G N -0.344 108.494 108.800 0.064 0.000 2.484 449 G HA2 0.114 4.049 3.960 -0.043 0.000 0.218 449 G HA3 0.114 4.049 3.960 -0.043 0.000 0.218 449 G C 0.599 175.684 174.900 0.308 0.000 1.130 449 G CA 0.342 45.648 45.100 0.344 0.000 0.784 449 G HN 0.313 nan 8.290 nan 0.000 0.543 450 L N 1.214 122.521 121.223 0.140 0.000 2.803 450 L HA 0.539 4.853 4.340 -0.043 0.000 0.241 450 L C 1.252 178.178 176.870 0.094 0.000 1.404 450 L CA 0.530 55.433 54.840 0.105 0.000 1.211 450 L CB -0.328 41.744 42.059 0.021 0.000 1.585 450 L HN 0.248 nan 8.230 nan 0.000 0.430 451 A N -1.189 121.709 122.820 0.130 0.000 1.592 451 A HA 0.088 4.382 4.320 -0.043 0.000 0.195 451 A C 0.868 178.522 177.584 0.118 0.000 1.632 451 A CA 0.349 52.448 52.037 0.104 0.000 1.481 451 A CB -0.065 18.989 19.000 0.091 0.000 1.388 451 A HN -0.056 nan 8.150 nan 0.000 0.540 452 V N 2.035 122.044 119.914 0.158 0.000 3.513 452 V HA 0.408 4.502 4.120 -0.043 0.000 0.311 452 V C 1.262 177.444 176.094 0.147 0.000 1.218 452 V CA 1.441 63.832 62.300 0.152 0.000 1.266 452 V CB -1.199 30.739 31.823 0.191 0.000 1.074 452 V HN 1.843 nan 8.190 nan 0.000 0.421 453 G N 0.206 109.091 108.800 0.141 0.000 2.258 453 G HA2 -0.371 3.563 3.960 -0.043 0.000 0.274 453 G HA3 -0.371 3.563 3.960 -0.043 0.000 0.274 453 G C 0.446 175.415 174.900 0.115 0.000 1.021 453 G CA 0.832 45.994 45.100 0.105 0.000 0.798 453 G HN 0.590 nan 8.290 nan 0.000 0.507 454 F N -0.567 119.432 119.950 0.081 0.000 2.149 454 F HA 0.342 4.847 4.527 -0.037 0.000 0.294 454 F C 1.394 177.179 175.800 -0.025 0.000 1.095 454 F CA 0.723 58.748 58.000 0.041 0.000 1.276 454 F CB 0.187 39.287 39.000 0.166 0.000 1.023 454 F HN 0.299 nan 8.300 nan 0.000 0.480 455 W N 1.380 122.824 121.300 0.239 0.000 2.475 455 W HA 0.205 4.845 4.660 -0.034 0.000 0.317 455 W C 0.761 177.298 176.519 0.030 0.000 1.046 455 W CA -0.863 56.537 57.345 0.091 0.000 1.215 455 W CB 1.645 31.104 29.460 -0.001 0.000 1.335 455 W HN -0.119 nan 8.180 nan 0.000 0.471 456 K N 1.545 122.051 120.400 0.178 0.000 1.965 456 K HA -0.138 4.156 4.320 -0.043 0.000 0.214 456 K C 0.313 176.973 176.600 0.101 0.000 1.046 456 K CA 1.574 57.921 56.287 0.100 0.000 0.944 456 K CB -0.085 32.442 32.500 0.046 0.000 0.726 456 K HN 0.281 nan 8.250 nan 0.000 0.441 457 D N -3.530 116.928 120.400 0.098 0.000 2.710 457 D HA 0.189 4.803 4.640 -0.043 0.000 0.276 457 D C 0.320 176.614 176.300 -0.009 0.000 1.267 457 D CA -0.504 53.512 54.000 0.026 0.000 0.772 457 D CB 0.548 41.347 40.800 -0.002 0.000 1.299 457 D HN -0.080 nan 8.370 nan 0.000 0.421 458 L N 0.055 121.196 121.223 -0.136 0.000 2.129 458 L HA -0.096 4.219 4.340 -0.043 0.000 0.212 458 L C 0.115 176.943 176.870 -0.069 0.000 1.087 458 L CA 1.248 55.949 54.840 -0.232 0.000 0.757 458 L CB -0.460 41.235 42.059 -0.606 0.000 0.896 458 L HN 0.362 nan 8.230 nan 0.000 0.434 459 D N 0.224 120.603 120.400 -0.035 0.000 2.455 459 D HA 0.065 4.680 4.640 -0.043 0.000 0.234 459 D C 0.890 177.215 176.300 0.040 0.000 1.224 459 D CA 0.370 54.380 54.000 0.017 0.000 0.999 459 D CB 0.565 41.372 40.800 0.011 0.000 1.072 459 D HN 0.293 nan 8.370 nan 0.000 0.514 460 E N 0.596 120.834 120.200 0.064 0.000 2.597 460 E HA -0.056 4.268 4.350 -0.043 0.000 0.256 460 E C 1.099 177.751 176.600 0.085 0.000 1.120 460 E CA -0.228 56.214 56.400 0.070 0.000 1.824 460 E CB -0.083 29.668 29.700 0.085 0.000 3.035 460 E HN 0.054 nan 8.360 nan 0.000 1.045 461 L N 2.201 123.492 121.223 0.114 0.000 2.265 461 L HA -0.044 4.270 4.340 -0.043 0.000 0.215 461 L C 1.962 178.901 176.870 0.115 0.000 1.117 461 L CA 1.533 56.453 54.840 0.133 0.000 0.782 461 L CB -0.989 41.175 42.059 0.174 0.000 0.914 461 L HN 0.183 nan 8.230 nan 0.000 0.441 462 K N -0.233 120.230 120.400 0.105 0.000 2.173 462 K HA -0.171 4.124 4.320 -0.043 0.000 0.207 462 K C 2.083 178.725 176.600 0.070 0.000 1.046 462 K CA 1.607 57.947 56.287 0.088 0.000 0.929 462 K CB -0.126 32.422 32.500 0.079 0.000 0.720 462 K HN 0.218 nan 8.250 nan 0.000 0.453 463 S N -0.053 115.685 115.700 0.064 0.000 2.481 463 S HA 0.038 4.483 4.470 -0.043 0.000 0.231 463 S C 0.556 175.189 174.600 0.054 0.000 0.996 463 S CA 0.693 58.924 58.200 0.051 0.000 0.942 463 S CB 0.155 63.381 63.200 0.043 0.000 0.768 463 S HN 0.156 nan 8.310 nan 0.000 0.520 464 M N 1.655 121.295 119.600 0.067 0.000 2.043 464 M HA 0.651 5.106 4.480 -0.043 0.000 0.322 464 M C -0.432 175.912 176.300 0.074 0.000 0.962 464 M CA -0.460 54.882 55.300 0.069 0.000 0.927 464 M CB 0.519 33.168 32.600 0.082 0.000 1.466 464 M HN 0.074 nan 8.290 nan 0.000 0.412 465 A N 3.177 126.032 122.820 0.059 0.000 2.601 465 A HA 0.809 5.104 4.320 -0.043 0.000 0.291 465 A C -1.491 176.118 177.584 0.042 0.000 1.075 465 A CA -0.596 51.474 52.037 0.054 0.000 0.671 465 A CB 1.814 20.844 19.000 0.050 0.000 1.277 465 A HN 0.576 nan 8.150 nan 0.000 0.417 466 E N -0.135 120.088 120.200 0.038 0.000 2.302 466 E HA 0.578 4.902 4.350 -0.043 0.000 0.263 466 E C -0.893 175.723 176.600 0.027 0.000 0.897 466 E CA -0.055 56.364 56.400 0.030 0.000 0.809 466 E CB 1.466 31.184 29.700 0.031 0.000 1.270 466 E HN 0.522 nan 8.360 nan 0.000 0.410 467 E N 1.922 122.135 120.200 0.022 0.000 2.603 467 E HA 0.243 4.568 4.350 -0.043 0.000 0.211 467 E C 0.456 177.064 176.600 0.014 0.000 0.995 467 E CA 0.003 56.416 56.400 0.021 0.000 0.990 467 E CB 1.262 30.975 29.700 0.022 0.000 1.036 467 E HN 0.465 nan 8.360 nan 0.000 0.475 468 G N 1.139 109.942 108.800 0.005 0.000 3.401 468 G HA2 -0.009 3.925 3.960 -0.043 0.000 0.251 468 G HA3 -0.009 3.925 3.960 -0.043 0.000 0.251 468 G C 0.237 175.119 174.900 -0.030 0.000 0.960 468 G CA -0.087 45.007 45.100 -0.011 0.000 1.900 468 G HN -0.041 nan 8.290 nan 0.000 0.645 469 Q N 0.773 120.560 119.800 -0.022 0.000 2.409 469 Q HA 0.233 4.547 4.340 -0.043 0.000 0.345 469 Q C 0.079 176.063 176.000 -0.027 0.000 0.847 469 Q CA 0.037 55.812 55.803 -0.047 0.000 1.092 469 Q CB 0.776 29.523 28.738 0.015 0.000 1.377 469 Q HN 0.547 nan 8.270 nan 0.000 0.399 470 M N 0.110 119.677 119.600 -0.055 0.000 2.537 470 M HA 0.513 4.968 4.480 -0.043 0.000 0.324 470 M C -0.489 175.768 176.300 -0.071 0.000 1.187 470 M CA -0.608 54.717 55.300 0.042 0.000 0.993 470 M CB 1.241 33.873 32.600 0.054 0.000 1.666 470 M HN -0.029 nan 8.290 nan 0.000 0.461 471 F N 0.317 120.287 119.950 0.032 0.000 2.408 471 F HA 0.305 4.806 4.527 -0.044 0.000 0.344 471 F C 0.664 176.475 175.800 0.018 0.000 1.112 471 F CA -0.574 57.442 58.000 0.027 0.000 1.096 471 F CB 1.274 40.295 39.000 0.034 0.000 1.129 471 F HN 0.444 nan 8.300 nan 0.000 0.486 472 T N 5.089 119.723 114.554 0.132 0.000 2.867 472 T HA 0.116 4.440 4.350 -0.043 0.000 0.297 472 T C -2.140 172.612 174.700 0.087 0.000 0.989 472 T CA -0.746 61.402 62.100 0.080 0.000 1.159 472 T CB 0.089 68.983 68.868 0.043 0.000 0.928 472 T HN 0.179 nan 8.240 nan 0.000 0.538 473 P HA 0.184 nan 4.420 nan 0.000 0.268 473 P C -0.072 177.244 177.300 0.027 0.000 1.204 473 P CA -0.005 63.121 63.100 0.042 0.000 0.768 473 P CB 0.519 32.237 31.700 0.031 0.000 0.842 474 E N 1.713 121.921 120.200 0.013 0.000 2.204 474 E HA 0.209 4.533 4.350 -0.043 0.000 0.276 474 E C 1.023 177.620 176.600 -0.004 0.000 0.974 474 E CA -0.526 55.875 56.400 0.002 0.000 0.815 474 E CB 1.409 31.101 29.700 -0.014 0.000 1.119 474 E HN 0.442 nan 8.360 nan 0.000 0.393 475 M N 2.994 122.593 119.600 -0.002 0.000 2.065 475 M HA -0.018 4.436 4.480 -0.043 0.000 0.259 475 M C -1.209 175.088 176.300 -0.006 0.000 1.069 475 M CA 1.207 56.506 55.300 -0.002 0.000 1.110 475 M CB -0.408 32.192 32.600 0.001 0.000 1.328 475 M HN 0.271 nan 8.290 nan 0.000 0.405 476 P HA 0.087 nan 4.420 nan 0.000 0.264 476 P C -0.889 176.400 177.300 -0.017 0.000 1.236 476 P CA 0.688 63.781 63.100 -0.011 0.000 0.811 476 P CB 0.676 32.368 31.700 -0.014 0.000 0.840 477 A N 3.403 126.218 122.820 -0.008 0.000 2.509 477 A HA -0.006 4.288 4.320 -0.043 0.000 0.169 477 A C 0.527 178.111 177.584 -0.000 0.000 1.956 477 A CA -0.246 51.786 52.037 -0.008 0.000 1.166 477 A CB -0.462 18.528 19.000 -0.016 0.000 1.180 477 A HN 0.438 nan 8.150 nan 0.000 0.406 478 E N 1.375 121.575 120.200 0.001 0.000 1.954 478 E HA 0.124 4.449 4.350 -0.043 0.000 0.272 478 E C 0.651 177.256 176.600 0.008 0.000 1.170 478 E CA 1.000 57.401 56.400 0.002 0.000 1.101 478 E CB -0.316 29.385 29.700 0.002 0.000 1.076 478 E HN 0.819 nan 8.360 nan 0.000 0.449 479 E N 1.057 121.263 120.200 0.010 0.000 1.292 479 E HA -0.178 4.146 4.350 -0.043 0.000 0.214 479 E C 1.223 177.839 176.600 0.028 0.000 1.047 479 E CA 0.184 56.597 56.400 0.021 0.000 1.073 479 E CB -0.632 29.086 29.700 0.031 0.000 4.695 479 E HN 0.233 nan 8.360 nan 0.000 0.688 480 R N 1.285 121.801 120.500 0.027 0.000 2.445 480 R HA -0.362 3.953 4.340 -0.043 0.000 0.174 480 R C 0.920 177.259 176.300 0.065 0.000 0.832 480 R CA 2.740 58.861 56.100 0.035 0.000 0.288 480 R CB -2.164 28.131 30.300 -0.008 0.000 0.642 480 R HN 0.170 nan 8.270 nan 0.000 0.242 481 D N 0.471 120.889 120.400 0.030 0.000 2.357 481 D HA -0.149 4.465 4.640 -0.043 0.000 0.216 481 D C 1.481 177.894 176.300 0.188 0.000 0.973 481 D CA 1.108 55.162 54.000 0.090 0.000 0.912 481 D CB -0.664 40.127 40.800 -0.016 0.000 0.900 481 D HN 0.564 nan 8.370 nan 0.000 0.501 482 N N 0.266 119.045 118.700 0.132 0.000 2.094 482 N HA -0.178 4.536 4.740 -0.043 0.000 0.191 482 N C 1.796 177.401 175.510 0.158 0.000 1.023 482 N CA 0.701 53.826 53.050 0.125 0.000 0.857 482 N CB -0.026 38.518 38.487 0.094 0.000 1.013 482 N HN 0.201 nan 8.380 nan 0.000 0.426 483 L N -0.510 120.838 121.223 0.209 0.000 2.162 483 L HA -0.103 4.212 4.340 -0.043 0.000 0.205 483 L C 2.285 179.283 176.870 0.214 0.000 1.086 483 L CA 0.500 55.506 54.840 0.276 0.000 0.778 483 L CB -0.636 41.665 42.059 0.404 0.000 0.928 483 L HN 0.236 nan 8.230 nan 0.000 0.446 484 Y N 1.695 122.042 120.300 0.079 0.000 2.173 484 Y HA -0.366 4.158 4.550 -0.044 0.000 0.282 484 Y C 2.295 178.236 175.900 0.069 0.000 1.192 484 Y CA 1.968 60.124 58.100 0.094 0.000 1.176 484 Y CB -0.237 38.290 38.460 0.112 0.000 0.969 484 Y HN 0.242 nan 8.280 nan 0.000 0.519 485 E N -0.590 119.669 120.200 0.098 0.000 2.219 485 E HA -0.221 4.104 4.350 -0.043 0.000 0.198 485 E C 2.371 178.914 176.600 -0.094 0.000 0.998 485 E CA 0.853 57.251 56.400 -0.004 0.000 0.818 485 E CB -0.569 29.168 29.700 0.063 0.000 0.741 485 E HN 0.688 nan 8.360 nan 0.000 0.477 486 G N 0.135 108.875 108.800 -0.100 0.000 2.479 486 G HA2 -0.233 3.702 3.960 -0.043 0.000 0.220 486 G HA3 -0.233 3.702 3.960 -0.043 0.000 0.220 486 G C 0.867 175.596 174.900 -0.284 0.000 1.115 486 G CA 0.292 45.341 45.100 -0.085 0.000 0.757 486 G HN 0.350 nan 8.290 nan 0.000 0.560 487 W N 0.741 121.867 121.300 -0.290 0.000 2.678 487 W HA 0.165 4.801 4.660 -0.041 0.000 0.256 487 W C 2.064 178.403 176.519 -0.299 0.000 1.280 487 W CA 0.554 57.699 57.345 -0.332 0.000 1.345 487 W CB 0.411 29.594 29.460 -0.462 0.000 1.118 487 W HN 0.213 nan 8.180 nan 0.000 0.629 488 K N 0.612 120.965 120.400 -0.079 0.000 2.981 488 K HA 0.241 4.535 4.320 -0.043 0.000 0.213 488 K C -0.251 176.284 176.600 -0.109 0.000 1.154 488 K CA -0.251 55.975 56.287 -0.103 0.000 1.111 488 K CB 0.215 32.662 32.500 -0.089 0.000 0.975 488 K HN 0.044 nan 8.250 nan 0.000 0.462 489 Q N -0.183 119.534 119.800 -0.139 0.000 2.594 489 Q HA 0.333 4.647 4.340 -0.043 0.000 0.278 489 Q C -0.965 174.885 176.000 -0.249 0.000 0.961 489 Q CA 0.264 55.972 55.803 -0.158 0.000 0.844 489 Q CB 1.680 30.347 28.738 -0.119 0.000 1.475 489 Q HN 0.376 nan 8.270 nan 0.000 0.389 490 A N 0.659 123.311 122.820 -0.279 0.000 2.910 490 A HA -0.185 4.109 4.320 -0.043 0.000 0.267 490 A C -0.315 176.813 177.584 -0.760 0.000 1.310 490 A CA 1.402 53.174 52.037 -0.441 0.000 0.934 490 A CB -1.947 16.775 19.000 -0.464 0.000 1.057 490 A HN 1.088 nan 8.150 nan 0.000 0.742 491 V N -1.598 118.015 119.914 -0.502 0.000 2.488 491 V HA 0.821 4.916 4.120 -0.043 0.000 0.293 491 V C -0.122 175.851 176.094 -0.200 0.000 1.027 491 V CA 0.794 62.849 62.300 -0.408 0.000 0.862 491 V CB 0.924 32.596 31.823 -0.251 0.000 1.008 491 V HN 2.207 nan 8.190 nan 0.000 0.428 492 A N 0.000 122.767 122.820 -0.088 0.000 2.254 492 A HA 0.000 4.294 4.320 -0.043 0.000 0.244 492 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 492 A CB 0.000 18.941 19.000 -0.098 0.000 0.831 492 A HN 0.000 nan 8.150 nan 0.000 0.486