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 2zwz_1_B DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP TGELGKVPMD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE YHVNYPGDLP GYKWEFTRGI GLSFGYNRNE GPEHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QKERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA V 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.133 176.300 -0.278 0.000 0.893 7 R CA 0.000 55.981 56.100 -0.198 0.000 0.921 7 R CB 0.000 30.257 30.300 -0.071 0.000 0.687 8 Y N 1.694 121.995 120.300 0.001 0.000 2.299 8 Y HA 0.381 4.931 4.550 0.001 0.000 0.326 8 Y C 1.038 176.920 175.900 -0.029 0.000 1.164 8 Y CA 0.003 58.097 58.100 -0.010 0.000 1.234 8 Y CB 1.078 39.559 38.460 0.034 0.000 1.219 8 Y HN 0.130 nan 8.280 nan 0.000 0.497 9 K N 3.895 124.340 120.400 0.074 0.000 2.123 9 K HA 0.323 4.643 4.320 0.001 0.000 0.248 9 K C -2.481 174.060 176.600 -0.099 0.000 0.969 9 K CA -2.042 54.237 56.287 -0.014 0.000 0.882 9 K CB 0.895 33.367 32.500 -0.046 0.000 1.080 9 K HN 0.323 nan 8.250 nan 0.000 0.441 10 P HA 0.009 nan 4.420 nan 0.000 0.226 10 P C -1.623 175.308 177.300 -0.615 0.000 1.783 10 P CA 0.081 62.889 63.100 -0.485 0.000 0.980 10 P CB -0.696 30.601 31.700 -0.672 0.000 1.967 11 D N -2.184 117.929 120.400 -0.478 0.000 2.753 11 D HA 0.176 4.816 4.640 0.001 0.000 0.224 11 D C 0.511 176.577 176.300 -0.391 0.000 1.213 11 D CA -0.926 52.755 54.000 -0.532 0.000 0.833 11 D CB 0.233 40.857 40.800 -0.294 0.000 1.607 11 D HN -0.075 nan 8.370 nan 0.000 0.463 12 W N 0.586 121.825 121.300 -0.102 0.000 2.325 12 W HA -0.116 4.544 4.660 0.001 0.000 0.299 12 W C 2.093 178.579 176.519 -0.056 0.000 1.215 12 W CA 0.925 58.226 57.345 -0.073 0.000 1.244 12 W CB -0.074 29.364 29.460 -0.038 0.000 1.140 12 W HN 0.633 nan 8.180 nan 0.000 0.523 13 E N 0.247 120.532 120.200 0.140 0.000 2.072 13 E HA -0.236 4.114 4.350 0.001 0.000 0.191 13 E C 2.345 178.972 176.600 0.045 0.000 0.985 13 E CA 1.588 58.036 56.400 0.080 0.000 0.801 13 E CB -0.264 29.465 29.700 0.048 0.000 0.750 13 E HN 0.127 nan 8.360 nan 0.000 0.452 14 S N -0.050 115.659 115.700 0.015 0.000 2.357 14 S HA -0.059 4.412 4.470 0.001 0.000 0.221 14 S C 2.028 176.677 174.600 0.082 0.000 1.031 14 S CA 0.608 58.828 58.200 0.033 0.000 0.982 14 S CB -0.229 62.976 63.200 0.008 0.000 0.853 14 S HN 0.307 nan 8.310 nan 0.000 0.458 15 L N 1.472 122.696 121.223 0.000 0.000 2.191 15 L HA -0.052 4.289 4.340 0.001 0.000 0.212 15 L C 2.716 179.467 176.870 -0.198 0.000 1.103 15 L CA 1.518 56.267 54.840 -0.151 0.000 0.769 15 L CB -0.482 41.405 42.059 -0.287 0.000 0.908 15 L HN 0.405 nan 8.230 nan 0.000 0.438 16 R N 0.819 121.313 120.500 -0.009 0.000 2.193 16 R HA -0.189 4.151 4.340 0.001 0.000 0.229 16 R C 1.773 178.103 176.300 0.049 0.000 1.110 16 R CA 1.279 57.422 56.100 0.071 0.000 0.988 16 R CB -0.187 30.150 30.300 0.062 0.000 0.871 16 R HN 0.407 nan 8.270 nan 0.000 0.458 17 E N -0.155 120.088 120.200 0.071 0.000 2.333 17 E HA -0.176 4.174 4.350 0.001 0.000 0.198 17 E C 0.033 176.687 176.600 0.090 0.000 1.007 17 E CA 0.425 56.879 56.400 0.090 0.000 0.845 17 E CB -0.146 29.637 29.700 0.138 0.000 0.766 17 E HN 0.400 nan 8.360 nan 0.000 0.507 18 H N 1.377 120.394 119.070 -0.089 0.000 2.652 18 H HA 0.110 4.666 4.556 0.001 0.000 0.298 18 H C -0.396 174.796 175.328 -0.226 0.000 1.076 18 H CA 0.178 56.026 56.048 -0.334 0.000 1.360 18 H CB 0.487 29.560 29.762 -1.148 0.000 1.421 18 H HN -0.040 nan 8.280 nan 0.000 0.464 19 T N 1.083 115.298 114.554 -0.565 0.000 2.938 19 T HA 0.213 4.563 4.350 0.001 0.000 0.285 19 T C 0.284 174.733 174.700 -0.418 0.000 1.028 19 T CA -0.950 60.945 62.100 -0.341 0.000 1.005 19 T CB 1.591 70.338 68.868 -0.201 0.000 1.157 19 T HN 0.367 nan 8.240 nan 0.000 0.550 20 V N 3.861 123.670 119.914 -0.174 0.000 2.681 20 V HA 0.195 4.316 4.120 0.001 0.000 0.306 20 V C -1.866 174.093 176.094 -0.224 0.000 1.077 20 V CA -1.112 61.110 62.300 -0.131 0.000 1.224 20 V CB -0.096 31.740 31.823 0.021 0.000 0.879 20 V HN 0.828 nan 8.190 nan 0.000 0.494 21 P HA 0.159 nan 4.420 nan 0.000 0.274 21 P C 0.399 177.545 177.300 -0.256 0.000 1.231 21 P CA -0.352 62.584 63.100 -0.274 0.000 0.790 21 P CB 0.769 32.326 31.700 -0.237 0.000 0.951 22 K N 1.265 121.608 120.400 -0.095 0.000 2.074 22 K HA -0.146 4.174 4.320 0.001 0.000 0.209 22 K C 2.007 178.619 176.600 0.020 0.000 1.048 22 K CA 2.057 58.336 56.287 -0.014 0.000 0.926 22 K CB -0.374 32.162 32.500 0.060 0.000 0.713 22 K HN 0.701 nan 8.250 nan 0.000 0.444 23 W N 0.121 121.469 121.300 0.080 0.000 2.363 23 W HA -0.212 4.448 4.660 0.001 0.000 0.296 23 W C 1.628 178.194 176.519 0.080 0.000 1.212 23 W CA 0.386 57.780 57.345 0.082 0.000 1.260 23 W CB -1.101 28.412 29.460 0.090 0.000 1.131 23 W HN -0.039 nan 8.180 nan 0.000 0.530 24 F N 2.620 121.918 119.950 -1.087 0.000 2.163 24 F HA -0.148 4.380 4.527 0.001 0.000 0.297 24 F C 2.486 178.007 175.800 -0.466 0.000 1.094 24 F CA 2.340 59.653 58.000 -1.145 0.000 1.290 24 F CB -0.737 37.331 39.000 -1.552 0.000 1.017 24 F HN -0.232 nan 8.300 nan 0.000 0.483 25 D N 0.486 120.782 120.400 -0.173 0.000 2.123 25 D HA -0.195 4.446 4.640 0.001 0.000 0.196 25 D C 1.893 178.143 176.300 -0.084 0.000 0.992 25 D CA 1.394 55.337 54.000 -0.094 0.000 0.833 25 D CB -0.013 40.777 40.800 -0.017 0.000 0.954 25 D HN 0.351 nan 8.370 nan 0.000 0.455 26 K N 0.125 120.518 120.400 -0.013 0.000 2.228 26 K HA 0.084 4.404 4.320 0.001 0.000 0.202 26 K C 2.136 178.814 176.600 0.130 0.000 1.051 26 K CA 0.614 56.944 56.287 0.071 0.000 0.960 26 K CB 0.113 32.682 32.500 0.116 0.000 0.743 26 K HN 0.025 nan 8.250 nan 0.000 0.458 27 A N 1.901 124.786 122.820 0.109 0.000 1.902 27 A HA -0.227 4.093 4.320 0.001 0.000 0.217 27 A C 0.969 178.709 177.584 0.260 0.000 1.181 27 A CA 1.718 53.898 52.037 0.239 0.000 0.623 27 A CB -0.091 19.099 19.000 0.317 0.000 0.818 27 A HN 0.194 nan 8.150 nan 0.000 0.443 28 K N -3.519 116.906 120.400 0.042 0.000 3.517 28 K HA -0.254 4.066 4.320 0.001 0.000 0.320 28 K C 0.131 176.795 176.600 0.106 0.000 0.769 28 K CA 2.151 58.443 56.287 0.007 0.000 1.397 28 K CB -1.892 30.606 32.500 -0.003 0.000 1.376 28 K HN 0.735 nan 8.250 nan 0.000 0.456 29 F N 0.058 120.013 119.950 0.007 0.000 2.562 29 F HA 0.546 5.073 4.527 0.001 0.000 0.319 29 F C 0.186 175.809 175.800 -0.295 0.000 1.154 29 F CA -0.204 57.737 58.000 -0.098 0.000 0.931 29 F CB 2.061 41.040 39.000 -0.035 0.000 1.198 29 F HN 0.068 nan 8.300 nan 0.000 0.444 30 G N 5.712 113.985 108.800 -0.878 0.000 2.658 30 G HA2 0.630 4.590 3.960 0.001 0.000 0.292 30 G HA3 0.630 4.590 3.960 0.001 0.000 0.292 30 G C -1.990 172.256 174.900 -1.090 0.000 1.320 30 G CA -0.793 43.366 45.100 -1.568 0.000 0.933 30 G HN 0.435 nan 8.290 nan 0.000 0.476 31 I N 0.851 120.882 120.570 -0.897 0.000 2.378 31 I HA 0.403 4.574 4.170 0.001 0.000 0.291 31 I C -0.992 174.893 176.117 -0.387 0.000 0.992 31 I CA -1.037 59.867 61.300 -0.659 0.000 1.154 31 I CB 1.376 38.795 38.000 -0.968 0.000 1.315 31 I HN 0.203 nan 8.210 nan 0.000 0.448 32 F N 7.004 126.744 119.950 -0.351 0.000 2.385 32 F HA 0.538 5.066 4.527 0.001 0.000 0.336 32 F C 0.163 175.858 175.800 -0.174 0.000 1.100 32 F CA -1.359 56.513 58.000 -0.214 0.000 1.116 32 F CB 1.105 40.032 39.000 -0.123 0.000 1.166 32 F HN 0.186 nan 8.300 nan 0.000 0.511 33 I N 5.197 125.852 120.570 0.142 0.000 2.448 33 I HA 0.148 4.318 4.170 0.001 0.000 0.281 33 I C -1.207 174.936 176.117 0.043 0.000 1.027 33 I CA -0.624 60.696 61.300 0.034 0.000 1.111 33 I CB 1.241 39.279 38.000 0.064 0.000 1.236 33 I HN 0.387 nan 8.210 nan 0.000 0.452 34 H N 5.076 124.078 119.070 -0.113 0.000 2.690 34 H HA 0.364 4.921 4.556 0.001 0.000 0.289 34 H C -1.369 174.118 175.328 0.265 0.000 1.089 34 H CA -0.232 55.787 56.048 -0.049 0.000 1.299 34 H CB 0.671 30.331 29.762 -0.170 0.000 1.405 34 H HN 0.511 nan 8.280 nan 0.000 0.463 35 W N 3.297 124.639 121.300 0.071 0.000 3.097 35 W HA 0.586 5.247 4.660 0.001 0.000 0.335 35 W C -0.559 175.731 176.519 -0.381 0.000 1.114 35 W CA -0.581 56.718 57.345 -0.076 0.000 1.231 35 W CB 1.661 31.213 29.460 0.153 0.000 1.388 35 W HN 0.728 nan 8.180 nan 0.000 0.485 36 G N 3.321 111.389 108.800 -1.221 0.000 2.427 36 G HA2 0.180 4.141 3.960 0.001 0.000 0.306 36 G HA3 0.180 4.141 3.960 0.001 0.000 0.306 36 G C 0.263 173.883 174.900 -2.133 0.000 1.280 36 G CA -0.169 44.019 45.100 -1.520 0.000 0.837 36 G HN 1.057 nan 8.290 nan 0.000 0.482 37 I N -1.047 118.557 120.570 -1.609 0.000 2.614 37 I HA -0.043 4.127 4.170 0.001 0.000 0.258 37 I C 2.148 177.743 176.117 -0.869 0.000 1.189 37 I CA 1.644 62.182 61.300 -1.270 0.000 1.462 37 I CB -0.426 36.978 38.000 -0.993 0.000 1.092 37 I HN 0.548 nan 8.210 nan 0.000 0.442 38 Y N 0.710 120.748 120.300 -0.436 0.000 2.509 38 Y HA 0.140 4.691 4.550 0.001 0.000 0.293 38 Y C 2.330 178.014 175.900 -0.360 0.000 1.133 38 Y CA 0.537 58.457 58.100 -0.300 0.000 1.283 38 Y CB -1.390 37.080 38.460 0.016 0.000 1.001 38 Y HN 0.065 nan 8.280 nan 0.000 0.555 39 S N 0.182 115.558 115.700 -0.541 0.000 2.474 39 S HA -0.099 4.372 4.470 0.001 0.000 0.235 39 S C 1.981 176.520 174.600 -0.103 0.000 0.997 39 S CA 1.006 59.111 58.200 -0.158 0.000 0.949 39 S CB -0.454 62.660 63.200 -0.144 0.000 0.766 39 S HN 0.383 nan 8.310 nan 0.000 0.517 40 V N 3.057 122.749 119.914 -0.369 0.000 2.239 40 V HA -0.075 4.046 4.120 0.001 0.000 0.242 40 V C -0.317 175.610 176.094 -0.279 0.000 1.038 40 V CA 1.478 63.630 62.300 -0.248 0.000 1.002 40 V CB -1.655 30.010 31.823 -0.263 0.000 0.641 40 V HN 0.343 nan 8.190 nan 0.000 0.449 41 P HA -0.070 nan 4.420 nan 0.000 0.218 41 P C 1.195 178.475 177.300 -0.033 0.000 1.149 41 P CA 1.675 64.515 63.100 -0.434 0.000 0.817 41 P CB -0.321 30.684 31.700 -1.159 0.000 0.785 42 G N 0.118 108.870 108.800 -0.081 0.000 2.395 42 G HA2 -0.213 3.747 3.960 0.001 0.000 0.292 42 G HA3 -0.213 3.747 3.960 0.001 0.000 0.292 42 G C -0.722 174.127 174.900 -0.084 0.000 0.953 42 G CA 0.246 45.316 45.100 -0.051 0.000 1.207 42 G HN 0.457 nan 8.290 nan 0.000 0.503 43 W N 0.184 121.423 121.300 -0.102 0.000 3.097 43 W HA 0.673 5.334 4.660 0.001 0.000 0.335 43 W C -0.365 176.131 176.519 -0.039 0.000 1.114 43 W CA -0.057 57.206 57.345 -0.137 0.000 1.231 43 W CB 1.541 30.859 29.460 -0.238 0.000 1.388 43 W HN 0.858 nan 8.180 nan 0.000 0.485 44 A N 2.064 124.397 122.820 -0.811 0.000 2.610 44 A HA 0.684 5.005 4.320 0.001 0.000 0.291 44 A C -0.674 176.151 177.584 -1.264 0.000 1.086 44 A CA -0.659 50.898 52.037 -0.801 0.000 0.677 44 A CB 1.177 19.966 19.000 -0.352 0.000 1.278 44 A HN 0.639 nan 8.150 nan 0.000 0.414 45 T N 0.862 114.871 114.554 -0.908 0.000 2.727 45 T HA 0.544 4.895 4.350 0.001 0.000 0.298 45 T C -2.354 172.020 174.700 -0.543 0.000 0.942 45 T CA -1.631 60.053 62.100 -0.694 0.000 0.997 45 T CB 0.724 69.345 68.868 -0.411 0.000 0.917 45 T HN 0.384 nan 8.240 nan 0.000 0.487 46 P HA 0.099 nan 4.420 nan 0.000 0.238 46 P C 0.837 177.932 177.300 -0.343 0.000 1.729 46 P CA -0.207 62.580 63.100 -0.521 0.000 1.055 46 P CB -0.313 30.851 31.700 -0.892 0.000 1.980 47 T N -0.266 114.095 114.554 -0.322 0.000 2.759 47 T HA 0.060 4.411 4.350 0.001 0.000 0.269 47 T C 1.151 175.773 174.700 -0.131 0.000 1.042 47 T CA 1.652 63.617 62.100 -0.225 0.000 1.140 47 T CB -0.251 68.445 68.868 -0.287 0.000 0.864 47 T HN 0.578 nan 8.240 nan 0.000 0.455 48 G N -0.057 108.665 108.800 -0.129 0.000 2.352 48 G HA2 0.305 4.266 3.960 0.001 0.000 0.283 48 G HA3 0.305 4.266 3.960 0.001 0.000 0.283 48 G C -2.121 172.770 174.900 -0.016 0.000 1.308 48 G CA -1.057 44.026 45.100 -0.029 0.000 0.892 48 G HN 0.228 nan 8.290 nan 0.000 0.504 49 E N -0.357 119.865 120.200 0.038 0.000 2.266 49 E HA 0.478 4.829 4.350 0.001 0.000 0.277 49 E C -0.133 176.482 176.600 0.026 0.000 1.018 49 E CA -0.765 55.613 56.400 -0.037 0.000 0.840 49 E CB 2.347 32.159 29.700 0.187 0.000 1.082 49 E HN 0.504 nan 8.360 nan 0.000 0.395 50 L N 2.487 123.582 121.223 -0.213 0.000 2.559 50 L HA 0.172 4.513 4.340 0.001 0.000 0.274 50 L C 1.061 177.918 176.870 -0.020 0.000 1.205 50 L CA 1.797 56.418 54.840 -0.366 0.000 0.907 50 L CB -0.160 41.666 42.059 -0.388 0.000 1.153 50 L HN 0.827 nan 8.230 nan 0.000 0.490 51 G N 3.261 111.982 108.800 -0.131 0.000 2.278 51 G HA2 -0.220 3.740 3.960 0.001 0.000 0.210 51 G HA3 -0.220 3.740 3.960 0.001 0.000 0.210 51 G C 1.036 175.895 174.900 -0.069 0.000 1.000 51 G CA 0.277 45.369 45.100 -0.014 0.000 0.635 51 G HN 0.583 nan 8.290 nan 0.000 0.495 52 K N -0.198 120.177 120.400 -0.041 0.000 2.367 52 K HA 0.354 4.675 4.320 0.001 0.000 0.198 52 K C 0.890 177.481 176.600 -0.016 0.000 1.132 52 K CA 0.433 56.682 56.287 -0.065 0.000 0.941 52 K CB 0.993 33.463 32.500 -0.051 0.000 1.052 52 K HN 0.250 nan 8.250 nan 0.000 0.507 53 V N 6.176 126.112 119.914 0.037 0.000 2.521 53 V HA 0.060 4.181 4.120 0.001 0.000 0.286 53 V C -2.084 174.043 176.094 0.055 0.000 1.034 53 V CA -1.416 60.936 62.300 0.086 0.000 1.045 53 V CB 0.431 32.404 31.823 0.250 0.000 0.974 53 V HN 0.175 nan 8.190 nan 0.000 0.480 54 P HA 0.031 nan 4.420 nan 0.000 0.264 54 P C 0.566 177.912 177.300 0.076 0.000 1.183 54 P CA -0.082 63.043 63.100 0.043 0.000 0.763 54 P CB 0.578 32.307 31.700 0.048 0.000 0.807 55 M N 1.268 120.901 119.600 0.055 0.000 2.557 55 M HA -0.046 4.435 4.480 0.001 0.000 0.259 55 M C 0.710 177.158 176.300 0.247 0.000 1.086 55 M CA 1.151 56.499 55.300 0.080 0.000 1.096 55 M CB -1.006 31.608 32.600 0.023 0.000 1.424 55 M HN 0.314 nan 8.290 nan 0.000 0.488 56 D N 0.062 120.625 120.400 0.271 0.000 2.355 56 D HA 0.127 4.768 4.640 0.001 0.000 0.218 56 D C 1.576 178.106 176.300 0.384 0.000 1.004 56 D CA 0.552 54.810 54.000 0.431 0.000 0.880 56 D CB 0.462 41.450 40.800 0.315 0.000 0.911 56 D HN 0.333 nan 8.370 nan 0.000 0.528 57 A N -0.281 122.699 122.820 0.266 0.000 2.141 57 A HA 0.029 4.349 4.320 0.001 0.000 0.201 57 A C 1.813 179.498 177.584 0.168 0.000 1.344 57 A CA -0.359 51.816 52.037 0.231 0.000 0.971 57 A CB -0.668 18.385 19.000 0.089 0.000 1.035 57 A HN 0.252 nan 8.150 nan 0.000 0.480 58 W N 1.023 122.230 121.300 -0.154 0.000 2.290 58 W HA -0.306 4.355 4.660 0.001 0.000 0.323 58 W C 1.255 177.430 176.519 -0.573 0.000 1.260 58 W CA 2.301 59.378 57.345 -0.446 0.000 1.266 58 W CB -0.743 28.301 29.460 -0.693 0.000 1.149 58 W HN 0.367 nan 8.180 nan 0.000 0.482 59 F N -0.782 119.071 119.950 -0.162 0.000 2.451 59 F HA -0.113 4.415 4.527 0.001 0.000 0.299 59 F C 2.011 177.508 175.800 -0.506 0.000 1.101 59 F CA 1.035 58.784 58.000 -0.418 0.000 1.436 59 F CB -1.015 37.712 39.000 -0.456 0.000 1.074 59 F HN -0.239 nan 8.300 nan 0.000 0.553 60 F N -0.533 119.351 119.950 -0.111 0.000 2.664 60 F HA 0.066 4.593 4.527 0.001 0.000 0.296 60 F C 0.791 176.509 175.800 -0.137 0.000 1.125 60 F CA 0.561 58.500 58.000 -0.101 0.000 1.444 60 F CB -0.042 38.904 39.000 -0.090 0.000 1.114 60 F HN -0.094 nan 8.300 nan 0.000 0.576 61 Q N 0.159 119.890 119.800 -0.115 0.000 3.007 61 Q HA 0.110 4.451 4.340 0.001 0.000 0.321 61 Q C -0.820 174.880 176.000 -0.501 0.000 0.784 61 Q CA -0.350 55.328 55.803 -0.209 0.000 0.990 61 Q CB 0.383 29.028 28.738 -0.154 0.000 1.493 61 Q HN -0.035 nan 8.270 nan 0.000 0.382 62 N N 2.993 121.356 118.700 -0.561 0.000 2.438 62 N HA 0.047 4.788 4.740 0.001 0.000 0.267 62 N C -1.530 173.553 175.510 -0.712 0.000 1.222 62 N CA -1.208 51.302 53.050 -0.900 0.000 0.930 62 N CB 1.064 39.201 38.487 -0.584 0.000 1.083 62 N HN 0.224 nan 8.380 nan 0.000 0.476 63 P HA -0.042 nan 4.420 nan 0.000 0.236 63 P C -0.277 176.940 177.300 -0.139 0.000 1.177 63 P CA 0.613 63.400 63.100 -0.522 0.000 0.773 63 P CB 0.137 31.522 31.700 -0.524 0.000 0.878 64 Y N 1.009 121.133 120.300 -0.293 0.000 2.624 64 Y HA 0.304 4.854 4.550 0.001 0.000 0.354 64 Y C 1.955 177.896 175.900 0.068 0.000 1.051 64 Y CA -1.450 56.657 58.100 0.011 0.000 1.377 64 Y CB -0.484 38.089 38.460 0.188 0.000 1.168 64 Y HN -0.020 nan 8.280 nan 0.000 0.525 65 A N 3.174 126.080 122.820 0.142 0.000 2.019 65 A HA -0.154 4.167 4.320 0.001 0.000 0.219 65 A C 2.006 179.697 177.584 0.178 0.000 1.164 65 A CA 1.345 53.467 52.037 0.142 0.000 0.644 65 A CB -0.283 18.745 19.000 0.047 0.000 0.805 65 A HN 0.712 nan 8.150 nan 0.000 0.449 66 E N -1.347 118.848 120.200 -0.008 0.000 2.472 66 E HA -0.198 4.153 4.350 0.001 0.000 0.200 66 E C 0.683 177.218 176.600 -0.109 0.000 1.046 66 E CA 0.555 56.588 56.400 -0.611 0.000 0.871 66 E CB -0.418 28.542 29.700 -1.234 0.000 0.806 66 E HN 0.794 nan 8.360 nan 0.000 0.533 67 W N 0.459 121.853 121.300 0.156 0.000 3.330 67 W HA 0.228 4.888 4.660 0.001 0.000 0.348 67 W C 1.437 178.104 176.519 0.247 0.000 1.205 67 W CA -0.864 56.718 57.345 0.395 0.000 1.841 67 W CB -0.560 29.150 29.460 0.418 0.000 1.084 67 W HN 0.104 nan 8.180 nan 0.000 0.665 68 Y N 1.445 121.900 120.300 0.258 0.000 2.102 68 Y HA -0.396 4.154 4.550 0.001 0.000 0.280 68 Y C 2.520 178.421 175.900 0.002 0.000 1.178 68 Y CA 2.672 60.888 58.100 0.193 0.000 1.146 68 Y CB -0.209 38.416 38.460 0.276 0.000 0.968 68 Y HN 0.104 nan 8.280 nan 0.000 0.504 69 E N -0.224 119.958 120.200 -0.031 0.000 2.051 69 E HA -0.311 4.040 4.350 0.001 0.000 0.192 69 E C 2.037 178.345 176.600 -0.486 0.000 0.991 69 E CA 1.485 57.591 56.400 -0.490 0.000 0.799 69 E CB -0.388 28.697 29.700 -1.024 0.000 0.748 69 E HN 0.572 nan 8.360 nan 0.000 0.449 70 N N -0.201 118.062 118.700 -0.729 0.000 2.069 70 N HA -0.143 4.598 4.740 0.001 0.000 0.191 70 N C 1.801 177.128 175.510 -0.306 0.000 1.031 70 N CA 1.935 54.521 53.050 -0.773 0.000 0.852 70 N CB -0.113 37.897 38.487 -0.796 0.000 1.018 70 N HN -0.014 nan 8.380 nan 0.000 0.423 71 S N -0.120 115.499 115.700 -0.136 0.000 2.368 71 S HA -0.100 4.371 4.470 0.001 0.000 0.225 71 S C 1.697 176.234 174.600 -0.105 0.000 1.030 71 S CA 0.825 58.975 58.200 -0.084 0.000 0.999 71 S CB -0.439 62.742 63.200 -0.032 0.000 0.844 71 S HN 0.371 nan 8.310 nan 0.000 0.459 72 L N 1.994 123.105 121.223 -0.187 0.000 2.131 72 L HA 0.023 4.363 4.340 0.001 0.000 0.210 72 L C 2.049 178.928 176.870 0.014 0.000 1.092 72 L CA 1.653 56.417 54.840 -0.127 0.000 0.759 72 L CB -0.412 41.506 42.059 -0.235 0.000 0.903 72 L HN 0.106 nan 8.230 nan 0.000 0.435 73 R N -0.638 119.802 120.500 -0.100 0.000 2.237 73 R HA 0.074 4.414 4.340 0.001 0.000 0.219 73 R C 0.349 176.598 176.300 -0.084 0.000 1.080 73 R CA 0.423 56.466 56.100 -0.096 0.000 0.995 73 R CB -0.252 29.922 30.300 -0.211 0.000 0.875 73 R HN 0.332 nan 8.270 nan 0.000 0.462 74 I N 2.342 122.864 120.570 -0.079 0.000 2.269 74 I HA 0.056 4.227 4.170 0.001 0.000 0.293 74 I C 0.013 176.087 176.117 -0.073 0.000 1.106 74 I CA -0.273 60.981 61.300 -0.077 0.000 1.248 74 I CB 0.693 38.639 38.000 -0.090 0.000 1.444 74 I HN -0.086 nan 8.210 nan 0.000 0.497 75 K N 5.689 125.943 120.400 -0.243 0.000 2.527 75 K HA -0.042 4.279 4.320 0.001 0.000 0.278 75 K C 0.166 176.477 176.600 -0.482 0.000 0.981 75 K CA 0.503 56.364 56.287 -0.710 0.000 1.009 75 K CB 0.198 32.224 32.500 -0.790 0.000 0.895 75 K HN 0.514 nan 8.250 nan 0.000 0.493 76 E N 0.196 120.057 120.200 -0.566 0.000 2.273 76 E HA -0.226 4.125 4.350 0.001 0.000 0.177 76 E C -0.916 175.728 176.600 0.074 0.000 1.511 76 E CA 0.524 56.882 56.400 -0.070 0.000 0.675 76 E CB -1.314 28.284 29.700 -0.169 0.000 1.094 76 E HN 0.593 nan 8.360 nan 0.000 0.348 77 S N -1.038 114.779 115.700 0.195 0.000 2.634 77 S HA 0.623 5.093 4.470 0.001 0.000 0.296 77 S C -2.235 172.504 174.600 0.231 0.000 1.104 77 S CA -1.807 56.509 58.200 0.193 0.000 0.920 77 S CB 2.412 65.708 63.200 0.160 0.000 1.111 77 S HN -0.189 nan 8.310 nan 0.000 0.493 78 P HA -0.042 nan 4.420 nan 0.000 0.218 78 P C 1.266 178.717 177.300 0.253 0.000 1.148 78 P CA 1.362 64.638 63.100 0.293 0.000 0.822 78 P CB -0.222 31.699 31.700 0.367 0.000 0.784 79 T N -2.062 112.645 114.554 0.256 0.000 2.746 79 T HA -0.180 4.170 4.350 0.001 0.000 0.267 79 T C 1.376 176.072 174.700 -0.007 0.000 1.039 79 T CA 1.057 63.187 62.100 0.051 0.000 1.142 79 T CB -0.924 67.895 68.868 -0.082 0.000 0.866 79 T HN 0.205 nan 8.240 nan 0.000 0.444 80 W N 2.303 123.570 121.300 -0.056 0.000 2.335 80 W HA -0.123 4.537 4.660 0.001 0.000 0.311 80 W C 2.209 178.738 176.519 0.017 0.000 1.213 80 W CA 1.249 58.582 57.345 -0.021 0.000 1.274 80 W CB -0.142 29.313 29.460 -0.009 0.000 1.148 80 W HN 0.242 nan 8.180 nan 0.000 0.498 81 E N -1.026 119.298 120.200 0.206 0.000 2.051 81 E HA -0.303 4.047 4.350 0.001 0.000 0.192 81 E C 1.926 178.423 176.600 -0.172 0.000 0.991 81 E CA 1.743 58.158 56.400 0.026 0.000 0.799 81 E CB -1.085 28.719 29.700 0.172 0.000 0.748 81 E HN 0.451 nan 8.360 nan 0.000 0.449 82 Y N 1.194 121.286 120.300 -0.347 0.000 2.165 82 Y HA -0.285 4.265 4.550 0.001 0.000 0.286 82 Y C 2.394 178.074 175.900 -0.367 0.000 1.155 82 Y CA 2.272 60.048 58.100 -0.539 0.000 1.164 82 Y CB -0.499 37.219 38.460 -1.237 0.000 0.978 82 Y HN 0.138 nan 8.280 nan 0.000 0.513 83 H N -0.884 117.967 119.070 -0.366 0.000 2.357 83 H HA -0.114 4.443 4.556 0.001 0.000 0.301 83 H C 2.134 177.250 175.328 -0.354 0.000 1.082 83 H CA 2.212 58.130 56.048 -0.217 0.000 1.342 83 H CB -0.371 29.369 29.762 -0.036 0.000 1.389 83 H HN 0.229 nan 8.280 nan 0.000 0.511 84 V N 0.591 120.222 119.914 -0.471 0.000 2.427 84 V HA -0.200 3.921 4.120 0.001 0.000 0.248 84 V C 2.135 177.966 176.094 -0.438 0.000 1.051 84 V CA 2.080 64.061 62.300 -0.532 0.000 1.048 84 V CB -0.298 31.009 31.823 -0.861 0.000 0.666 84 V HN 0.410 nan 8.190 nan 0.000 0.456 85 K N -0.601 119.531 120.400 -0.447 0.000 2.167 85 K HA -0.064 4.257 4.320 0.001 0.000 0.203 85 K C 2.082 178.383 176.600 -0.498 0.000 1.052 85 K CA 1.628 57.682 56.287 -0.389 0.000 0.956 85 K CB -0.137 32.171 32.500 -0.319 0.000 0.735 85 K HN 0.482 nan 8.250 nan 0.000 0.451 86 T N -0.768 113.344 114.554 -0.737 0.000 2.983 86 T HA 0.011 4.362 4.350 0.001 0.000 0.250 86 T C 1.193 175.305 174.700 -0.979 0.000 1.037 86 T CA 0.847 62.386 62.100 -0.934 0.000 1.142 86 T CB -0.058 67.969 68.868 -1.402 0.000 0.876 86 T HN 0.172 nan 8.240 nan 0.000 0.455 87 Y N 0.906 120.768 120.300 -0.731 0.000 2.483 87 Y HA 0.488 5.039 4.550 0.001 0.000 0.258 87 Y C 1.441 177.024 175.900 -0.529 0.000 1.083 87 Y CA 0.029 57.628 58.100 -0.834 0.000 1.283 87 Y CB 0.631 38.128 38.460 -1.604 0.000 1.178 87 Y HN 0.389 nan 8.280 nan 0.000 0.515 88 G N 0.815 109.411 108.800 -0.339 0.000 2.662 88 G HA2 -0.200 3.761 3.960 0.001 0.000 0.686 88 G HA3 -0.200 3.761 3.960 0.001 0.000 0.686 88 G C 0.060 174.928 174.900 -0.053 0.000 1.271 88 G CA -0.266 44.741 45.100 -0.156 0.000 0.816 88 G HN 0.207 nan 8.290 nan 0.000 0.608 89 E N -0.335 119.852 120.200 -0.022 0.000 2.216 89 E HA -0.081 4.269 4.350 0.001 0.000 0.192 89 E C 1.689 178.362 176.600 0.122 0.000 0.988 89 E CA 0.758 57.190 56.400 0.054 0.000 0.834 89 E CB 0.096 29.829 29.700 0.056 0.000 0.772 89 E HN 0.341 nan 8.360 nan 0.000 0.479 90 N N -0.019 118.743 118.700 0.104 0.000 2.484 90 N HA -0.018 4.723 4.740 0.001 0.000 0.245 90 N C -1.388 174.191 175.510 0.116 0.000 1.184 90 N CA 0.005 53.105 53.050 0.085 0.000 0.884 90 N CB -0.296 38.218 38.487 0.044 0.000 1.182 90 N HN -0.016 nan 8.380 nan 0.000 0.493 91 F N 0.871 120.838 119.950 0.028 0.000 2.552 91 F HA 0.333 4.861 4.527 0.001 0.000 0.369 91 F C -0.429 175.413 175.800 0.071 0.000 1.112 91 F CA -1.071 56.931 58.000 0.003 0.000 1.129 91 F CB 0.523 39.491 39.000 -0.053 0.000 1.360 91 F HN -0.066 nan 8.300 nan 0.000 0.473 92 E N 3.082 123.295 120.200 0.022 0.000 2.415 92 E HA -0.089 4.262 4.350 0.001 0.000 0.262 92 E C 0.478 177.138 176.600 0.100 0.000 1.038 92 E CA 0.117 56.559 56.400 0.070 0.000 0.921 92 E CB 0.360 30.044 29.700 -0.028 0.000 0.950 92 E HN 0.690 nan 8.360 nan 0.000 0.438 93 Y N 2.090 122.450 120.300 0.100 0.000 2.165 93 Y HA -0.266 4.285 4.550 0.001 0.000 0.286 93 Y C 1.406 177.425 175.900 0.197 0.000 1.155 93 Y CA 2.110 60.346 58.100 0.225 0.000 1.164 93 Y CB 0.049 38.684 38.460 0.291 0.000 0.978 93 Y HN 0.565 nan 8.280 nan 0.000 0.513 94 E N 0.535 120.795 120.200 0.100 0.000 2.160 94 E HA -0.229 4.121 4.350 0.001 0.000 0.195 94 E C 2.042 178.612 176.600 -0.050 0.000 0.991 94 E CA 1.461 57.916 56.400 0.091 0.000 0.810 94 E CB -0.327 29.394 29.700 0.036 0.000 0.742 94 E HN 0.453 nan 8.360 nan 0.000 0.466 95 K N -0.023 120.224 120.400 -0.256 0.000 2.218 95 K HA -0.155 4.165 4.320 0.001 0.000 0.205 95 K C 1.409 177.821 176.600 -0.312 0.000 1.046 95 K CA 0.998 57.038 56.287 -0.412 0.000 0.933 95 K CB -0.232 31.709 32.500 -0.932 0.000 0.728 95 K HN 0.172 nan 8.250 nan 0.000 0.454 96 F N 0.478 120.322 119.950 -0.177 0.000 2.333 96 F HA -0.142 4.385 4.527 0.001 0.000 0.300 96 F C 2.336 177.958 175.800 -0.297 0.000 1.083 96 F CA 0.500 58.361 58.000 -0.232 0.000 1.395 96 F CB -0.131 38.600 39.000 -0.447 0.000 1.056 96 F HN 0.137 nan 8.300 nan 0.000 0.529 97 A N -0.095 122.614 122.820 -0.185 0.000 1.978 97 A HA -0.199 4.121 4.320 0.001 0.000 0.220 97 A C 1.852 179.368 177.584 -0.113 0.000 1.170 97 A CA 2.010 53.849 52.037 -0.331 0.000 0.636 97 A CB -0.545 18.312 19.000 -0.237 0.000 0.810 97 A HN 0.269 nan 8.150 nan 0.000 0.448 98 D N -0.381 119.988 120.400 -0.051 0.000 2.289 98 D HA 0.032 4.673 4.640 0.001 0.000 0.207 98 D C 1.642 177.945 176.300 0.005 0.000 0.966 98 D CA 0.612 54.598 54.000 -0.024 0.000 0.868 98 D CB -0.016 40.760 40.800 -0.040 0.000 0.943 98 D HN 0.464 nan 8.370 nan 0.000 0.514 99 L N -0.122 121.131 121.223 0.051 0.000 2.529 99 L HA 0.079 4.420 4.340 0.001 0.000 0.223 99 L C 0.687 177.641 176.870 0.140 0.000 1.113 99 L CA -0.156 54.753 54.840 0.115 0.000 0.861 99 L CB 0.036 42.223 42.059 0.214 0.000 1.012 99 L HN -0.109 nan 8.230 nan 0.000 0.461 100 F N 2.219 122.087 119.950 -0.136 0.000 2.619 100 F HA 0.099 4.627 4.527 0.001 0.000 0.350 100 F C 1.419 177.110 175.800 -0.183 0.000 1.259 100 F CA -0.748 57.117 58.000 -0.227 0.000 1.204 100 F CB -0.137 38.600 39.000 -0.438 0.000 1.556 100 F HN -0.062 nan 8.300 nan 0.000 0.650 101 T N 1.424 115.899 114.554 -0.132 0.000 3.044 101 T HA 0.314 4.664 4.350 0.001 0.000 0.250 101 T C 1.401 175.964 174.700 -0.229 0.000 1.081 101 T CA 0.316 62.298 62.100 -0.197 0.000 1.040 101 T CB -0.277 68.560 68.868 -0.052 0.000 0.962 101 T HN 1.025 nan 8.240 nan 0.000 0.506 102 A N 1.617 124.317 122.820 -0.200 0.000 2.748 102 A HA -0.283 4.037 4.320 0.001 0.000 0.297 102 A C 1.344 178.988 177.584 0.099 0.000 1.508 102 A CA 1.575 53.597 52.037 -0.024 0.000 0.799 102 A CB -2.529 16.275 19.000 -0.326 0.000 1.011 102 A HN 0.734 nan 8.150 nan 0.000 0.500 103 E N 0.208 120.456 120.200 0.080 0.000 2.187 103 E HA -0.189 4.161 4.350 0.001 0.000 0.199 103 E C 1.421 178.085 176.600 0.107 0.000 1.004 103 E CA 2.210 58.657 56.400 0.078 0.000 0.813 103 E CB -0.125 29.616 29.700 0.069 0.000 0.736 103 E HN 0.761 nan 8.360 nan 0.000 0.468 104 K N -0.925 119.566 120.400 0.151 0.000 2.455 104 K HA 0.076 4.397 4.320 0.001 0.000 0.206 104 K C -0.838 175.863 176.600 0.168 0.000 1.027 104 K CA -0.556 55.811 56.287 0.133 0.000 1.113 104 K CB 0.127 32.697 32.500 0.117 0.000 0.850 104 K HN 0.136 nan 8.250 nan 0.000 0.503 105 W N 2.407 123.683 121.300 -0.041 0.000 2.216 105 W HA 0.037 4.697 4.660 0.001 0.000 0.326 105 W C -0.306 176.070 176.519 -0.238 0.000 1.319 105 W CA 0.119 57.356 57.345 -0.179 0.000 1.213 105 W CB 0.558 29.936 29.460 -0.136 0.000 1.171 105 W HN -0.005 nan 8.180 nan 0.000 0.557 106 D N 8.298 128.191 120.400 -0.844 0.000 2.330 106 D HA 0.204 4.845 4.640 0.001 0.000 0.249 106 D C -1.478 174.107 176.300 -1.191 0.000 1.306 106 D CA -1.998 51.527 54.000 -0.793 0.000 0.956 106 D CB 1.713 42.287 40.800 -0.378 0.000 1.261 106 D HN 0.090 nan 8.370 nan 0.000 0.544 107 P HA -0.204 nan 4.420 nan 0.000 0.217 107 P C 1.183 178.166 177.300 -0.528 0.000 1.148 107 P CA 1.173 63.549 63.100 -1.207 0.000 0.828 107 P CB 0.576 31.587 31.700 -1.147 0.000 0.783 108 Q N -0.113 119.436 119.800 -0.419 0.000 2.119 108 Q HA -0.136 4.205 4.340 0.001 0.000 0.201 108 Q C 2.290 178.166 176.000 -0.207 0.000 0.972 108 Q CA 1.116 56.774 55.803 -0.242 0.000 0.847 108 Q CB -0.311 28.309 28.738 -0.196 0.000 0.903 108 Q HN 0.455 nan 8.270 nan 0.000 0.433 109 E N -0.122 119.941 120.200 -0.228 0.000 2.077 109 E HA -0.200 4.150 4.350 0.001 0.000 0.193 109 E C 1.665 178.182 176.600 -0.137 0.000 0.989 109 E CA 0.915 57.225 56.400 -0.149 0.000 0.800 109 E CB -0.085 29.548 29.700 -0.112 0.000 0.746 109 E HN 0.408 nan 8.360 nan 0.000 0.452 110 W N 0.837 121.844 121.300 -0.488 0.000 2.335 110 W HA -0.121 4.540 4.660 0.001 0.000 0.311 110 W C 2.575 178.385 176.519 -1.183 0.000 1.213 110 W CA 1.210 58.060 57.345 -0.826 0.000 1.274 110 W CB -1.022 28.139 29.460 -0.499 0.000 1.148 110 W HN 0.085 nan 8.180 nan 0.000 0.498 111 A N -0.384 122.245 122.820 -0.318 0.000 1.898 111 A HA -0.238 4.082 4.320 0.001 0.000 0.216 111 A C 1.744 179.232 177.584 -0.159 0.000 1.181 111 A CA 2.176 54.118 52.037 -0.158 0.000 0.620 111 A CB -1.109 17.884 19.000 -0.012 0.000 0.819 111 A HN 0.317 nan 8.150 nan 0.000 0.442 112 D N -0.630 119.672 120.400 -0.164 0.000 2.104 112 D HA -0.176 4.465 4.640 0.001 0.000 0.194 112 D C 1.800 178.033 176.300 -0.111 0.000 0.994 112 D CA 1.468 55.405 54.000 -0.105 0.000 0.830 112 D CB -0.172 40.572 40.800 -0.094 0.000 0.959 112 D HN 0.236 nan 8.370 nan 0.000 0.452 113 L N -0.103 120.988 121.223 -0.220 0.000 1.989 113 L HA -0.119 4.222 4.340 0.001 0.000 0.211 113 L C 2.049 178.911 176.870 -0.014 0.000 1.071 113 L CA 1.791 56.527 54.840 -0.172 0.000 0.749 113 L CB -1.117 40.764 42.059 -0.297 0.000 0.890 113 L HN 0.234 nan 8.230 nan 0.000 0.431 114 F N -0.282 119.663 119.950 -0.009 0.000 2.216 114 F HA -0.200 4.327 4.527 0.001 0.000 0.300 114 F C 2.576 178.367 175.800 -0.016 0.000 1.085 114 F CA 1.086 59.063 58.000 -0.039 0.000 1.326 114 F CB -0.451 38.511 39.000 -0.064 0.000 1.027 114 F HN 0.141 nan 8.300 nan 0.000 0.497 115 K N 1.380 121.879 120.400 0.165 0.000 2.097 115 K HA -0.154 4.166 4.320 0.001 0.000 0.205 115 K C 1.904 178.571 176.600 0.112 0.000 1.050 115 K CA 1.161 57.513 56.287 0.109 0.000 0.938 115 K CB -0.052 32.485 32.500 0.062 0.000 0.718 115 K HN 0.151 nan 8.250 nan 0.000 0.442 116 K N -0.046 120.411 120.400 0.094 0.000 2.147 116 K HA -0.074 4.246 4.320 0.001 0.000 0.205 116 K C 1.870 178.562 176.600 0.154 0.000 1.049 116 K CA 1.097 57.441 56.287 0.096 0.000 0.936 116 K CB -0.036 32.499 32.500 0.058 0.000 0.722 116 K HN 0.193 nan 8.250 nan 0.000 0.446 117 A N 0.164 123.108 122.820 0.206 0.000 2.209 117 A HA 0.079 4.399 4.320 0.001 0.000 0.212 117 A C 1.460 179.314 177.584 0.450 0.000 1.158 117 A CA 1.172 53.389 52.037 0.299 0.000 0.742 117 A CB -0.369 18.834 19.000 0.338 0.000 0.790 117 A HN 0.448 nan 8.150 nan 0.000 0.472 118 G N -2.403 106.617 108.800 0.368 0.000 2.175 118 G HA2 0.109 4.070 3.960 0.001 0.000 0.244 118 G HA3 0.109 4.070 3.960 0.001 0.000 0.244 118 G C 0.387 175.600 174.900 0.521 0.000 0.982 118 G CA 0.250 45.644 45.100 0.490 0.000 0.641 118 G HN 1.572 nan 8.290 nan 0.000 0.527 119 A N -0.073 122.800 122.820 0.089 0.000 2.388 119 A HA 0.684 5.004 4.320 0.001 0.000 0.257 119 A C 1.210 178.730 177.584 -0.106 0.000 1.095 119 A CA 0.429 52.191 52.037 -0.457 0.000 0.791 119 A CB 0.474 18.964 19.000 -0.849 0.000 1.029 119 A HN 0.144 nan 8.150 nan 0.000 0.489 120 K N 0.440 120.811 120.400 -0.048 0.000 2.358 120 K HA 0.170 4.490 4.320 0.001 0.000 0.200 120 K C -0.836 175.915 176.600 0.252 0.000 1.030 120 K CA 0.549 56.920 56.287 0.140 0.000 1.097 120 K CB 0.050 32.710 32.500 0.266 0.000 0.862 120 K HN 0.806 nan 8.250 nan 0.000 0.534 121 Y N -3.466 116.834 120.300 0.000 0.000 2.624 121 Y HA 0.607 5.158 4.550 0.001 0.000 0.334 121 Y C -1.009 174.882 175.900 -0.015 0.000 1.155 121 Y CA -1.512 56.626 58.100 0.063 0.000 1.046 121 Y CB 1.141 39.735 38.460 0.224 0.000 1.316 121 Y HN -0.325 nan 8.280 nan 0.000 0.457 122 V N 3.836 123.846 119.914 0.161 0.000 2.638 122 V HA 0.517 4.637 4.120 0.001 0.000 0.306 122 V C -0.659 175.476 176.094 0.069 0.000 1.052 122 V CA -0.761 61.559 62.300 0.034 0.000 0.885 122 V CB 1.842 33.778 31.823 0.188 0.000 0.999 122 V HN 0.746 nan 8.190 nan 0.000 0.424 123 I N 7.127 127.707 120.570 0.016 0.000 2.521 123 I HA 0.365 4.535 4.170 0.001 0.000 0.277 123 I C -2.570 173.660 176.117 0.189 0.000 1.054 123 I CA -1.563 59.767 61.300 0.050 0.000 1.117 123 I CB 2.526 40.581 38.000 0.092 0.000 1.217 123 I HN 0.428 nan 8.210 nan 0.000 0.469 124 P HA 0.183 nan 4.420 nan 0.000 0.282 124 P C -0.311 177.096 177.300 0.177 0.000 1.259 124 P CA -0.319 62.913 63.100 0.220 0.000 0.826 124 P CB 1.131 33.060 31.700 0.381 0.000 1.064 125 T N -1.909 112.670 114.554 0.042 0.000 2.743 125 T HA 0.128 4.479 4.350 0.001 0.000 0.290 125 T C 1.430 176.294 174.700 0.274 0.000 0.908 125 T CA -0.060 62.043 62.100 0.006 0.000 1.092 125 T CB -0.830 67.832 68.868 -0.343 0.000 0.882 125 T HN 0.531 nan 8.240 nan 0.000 0.531 126 T N -0.113 114.669 114.554 0.381 0.000 3.023 126 T HA 0.091 4.442 4.350 0.001 0.000 0.266 126 T C 0.556 175.608 174.700 0.586 0.000 1.093 126 T CA 0.276 62.647 62.100 0.451 0.000 1.129 126 T CB -0.063 68.973 68.868 0.280 0.000 0.899 126 T HN 0.683 nan 8.240 nan 0.000 0.491 127 K N 0.408 121.077 120.400 0.448 0.000 2.635 127 K HA 0.168 4.488 4.320 0.001 0.000 0.266 127 K C -1.472 175.226 176.600 0.164 0.000 1.033 127 K CA -0.654 55.803 56.287 0.283 0.000 0.919 127 K CB 1.280 33.880 32.500 0.167 0.000 1.289 127 K HN 0.307 nan 8.250 nan 0.000 0.463 128 H N 1.839 120.966 119.070 0.096 0.000 2.645 128 H HA 0.221 4.778 4.556 0.001 0.000 0.308 128 H C 0.826 176.025 175.328 -0.215 0.000 1.495 128 H CA 0.069 56.068 56.048 -0.082 0.000 1.518 128 H CB 0.971 30.623 29.762 -0.183 0.000 1.752 128 H HN 0.676 nan 8.280 nan 0.000 0.797 129 H N 0.183 118.889 119.070 -0.607 0.000 2.457 129 H HA -0.138 4.419 4.556 0.001 0.000 0.297 129 H C 1.288 176.010 175.328 -1.010 0.000 1.092 129 H CA 1.419 56.797 56.048 -1.117 0.000 1.309 129 H CB -0.428 28.072 29.762 -2.103 0.000 1.382 129 H HN 0.567 nan 8.280 nan 0.000 0.535 130 D N -0.536 119.717 120.400 -0.244 0.000 2.378 130 D HA 0.020 4.660 4.640 0.001 0.000 0.227 130 D C 1.743 178.326 176.300 0.472 0.000 1.012 130 D CA 0.783 54.973 54.000 0.317 0.000 0.905 130 D CB -0.562 40.657 40.800 0.698 0.000 0.895 130 D HN 0.411 nan 8.370 nan 0.000 0.532 131 G N -0.194 108.793 108.800 0.312 0.000 2.189 131 G HA2 -0.334 3.626 3.960 0.001 0.000 0.267 131 G HA3 -0.334 3.626 3.960 0.001 0.000 0.267 131 G C 0.030 175.259 174.900 0.548 0.000 0.975 131 G CA 0.223 45.588 45.100 0.442 0.000 0.644 131 G HN 0.463 nan 8.290 nan 0.000 0.537 132 F N 2.267 122.418 119.950 0.335 0.000 2.506 132 F HA 0.517 5.045 4.527 0.001 0.000 0.371 132 F C 0.920 176.709 175.800 -0.018 0.000 1.078 132 F CA -0.631 57.303 58.000 -0.110 0.000 1.195 132 F CB 0.356 39.112 39.000 -0.406 0.000 1.099 132 F HN 0.186 nan 8.300 nan 0.000 0.548 133 C N 7.673 126.541 119.300 -0.720 0.000 2.330 133 C HA 0.310 4.770 4.460 0.001 0.000 0.344 133 C C 0.981 175.645 174.990 -0.544 0.000 1.273 133 C CA -0.790 57.939 59.018 -0.480 0.000 1.879 133 C CB 0.543 27.841 27.740 -0.738 0.000 2.376 133 C HN 0.814 nan 8.230 nan 0.000 0.534 134 L N 2.668 123.923 121.223 0.053 0.000 2.653 134 L HA 0.240 4.580 4.340 0.001 0.000 0.232 134 L C 0.102 177.150 176.870 0.295 0.000 1.169 134 L CA 0.411 55.325 54.840 0.124 0.000 0.951 134 L CB -0.755 41.442 42.059 0.230 0.000 1.181 134 L HN 0.896 nan 8.230 nan 0.000 0.460 135 W N -3.207 118.090 121.300 -0.005 0.000 3.029 135 W HA 0.691 5.351 4.660 0.001 0.000 0.339 135 W C 0.650 177.198 176.519 0.048 0.000 1.198 135 W CA -1.542 55.854 57.345 0.085 0.000 1.148 135 W CB 0.655 30.260 29.460 0.242 0.000 1.451 135 W HN -0.168 nan 8.180 nan 0.000 0.564 136 G N 2.008 110.895 108.800 0.145 0.000 3.090 136 G HA2 0.246 4.206 3.960 0.001 0.000 0.259 136 G HA3 0.246 4.206 3.960 0.001 0.000 0.259 136 G C 0.061 174.845 174.900 -0.194 0.000 0.797 136 G CA 0.044 45.107 45.100 -0.061 0.000 2.032 136 G HN 0.614 nan 8.290 nan 0.000 0.614 137 T N -0.057 114.092 114.554 -0.676 0.000 2.932 137 T HA 0.116 4.466 4.350 0.001 0.000 0.312 137 T C 1.610 176.117 174.700 -0.322 0.000 1.071 137 T CA -0.003 61.762 62.100 -0.558 0.000 1.128 137 T CB 0.468 68.799 68.868 -0.895 0.000 0.984 137 T HN 0.580 nan 8.240 nan 0.000 0.549 138 K N 3.260 123.417 120.400 -0.404 0.000 2.410 138 K HA 0.067 4.388 4.320 0.001 0.000 0.200 138 K C 0.233 176.536 176.600 -0.495 0.000 1.023 138 K CA 0.311 56.324 56.287 -0.456 0.000 1.149 138 K CB 0.099 32.317 32.500 -0.470 0.000 0.859 138 K HN 0.746 nan 8.250 nan 0.000 0.514 139 Y N 0.504 120.861 120.300 0.094 0.000 2.458 139 Y HA 0.181 4.732 4.550 0.001 0.000 0.256 139 Y C 0.554 176.625 175.900 0.286 0.000 1.159 139 Y CA -0.425 57.813 58.100 0.230 0.000 1.261 139 Y CB 1.398 40.057 38.460 0.332 0.000 1.119 139 Y HN 0.036 nan 8.280 nan 0.000 0.524 140 T N -0.980 113.711 114.554 0.228 0.000 2.942 140 T HA 0.161 4.511 4.350 0.001 0.000 0.327 140 T C -0.523 174.205 174.700 0.047 0.000 1.360 140 T CA -0.588 61.618 62.100 0.177 0.000 1.055 140 T CB 1.249 70.294 68.868 0.295 0.000 1.261 140 T HN -0.069 nan 8.240 nan 0.000 0.485 141 D N 1.583 122.028 120.400 0.075 0.000 2.348 141 D HA 0.121 4.762 4.640 0.001 0.000 0.211 141 D C 0.370 176.744 176.300 0.124 0.000 0.998 141 D CA 0.303 54.337 54.000 0.056 0.000 0.873 141 D CB 0.082 40.920 40.800 0.063 0.000 0.925 141 D HN 0.396 nan 8.370 nan 0.000 0.524 142 F N 2.996 122.928 119.950 -0.030 0.000 2.661 142 F HA 0.167 4.694 4.527 0.001 0.000 0.356 142 F C 0.086 175.716 175.800 -0.283 0.000 1.244 142 F CA -0.773 57.238 58.000 0.019 0.000 1.290 142 F CB -0.964 38.103 39.000 0.112 0.000 1.677 142 F HN -0.144 nan 8.300 nan 0.000 0.649 143 N N -1.483 116.928 118.700 -0.482 0.000 2.647 143 N HA 0.232 4.973 4.740 0.001 0.000 0.266 143 N C 0.329 175.483 175.510 -0.593 0.000 1.373 143 N CA -0.230 52.297 53.050 -0.872 0.000 0.807 143 N CB 0.863 39.013 38.487 -0.563 0.000 1.513 143 N HN -0.081 nan 8.380 nan 0.000 0.505 144 S N -0.833 114.550 115.700 -0.527 0.000 2.447 144 S HA -0.092 4.378 4.470 0.001 0.000 0.233 144 S C 1.373 175.909 174.600 -0.107 0.000 1.006 144 S CA 0.921 59.040 58.200 -0.135 0.000 0.957 144 S CB -0.577 62.543 63.200 -0.134 0.000 0.773 144 S HN 0.361 nan 8.310 nan 0.000 0.507 145 V N 1.716 121.561 119.914 -0.115 0.000 2.407 145 V HA -0.009 4.111 4.120 0.001 0.000 0.245 145 V C 2.645 178.709 176.094 -0.050 0.000 1.041 145 V CA 1.471 63.733 62.300 -0.063 0.000 1.040 145 V CB -0.419 31.376 31.823 -0.046 0.000 0.671 145 V HN 0.422 nan 8.190 nan 0.000 0.455 146 K N -0.486 119.881 120.400 -0.056 0.000 2.262 146 K HA 0.125 4.445 4.320 0.001 0.000 0.200 146 K C 0.993 177.600 176.600 0.012 0.000 1.049 146 K CA 0.434 56.710 56.287 -0.019 0.000 0.979 146 K CB 0.163 32.656 32.500 -0.011 0.000 0.773 146 K HN 0.287 nan 8.250 nan 0.000 0.474 147 R N -0.937 119.583 120.500 0.035 0.000 2.943 147 R HA 0.332 4.672 4.340 0.001 0.000 0.246 147 R C 1.179 177.492 176.300 0.022 0.000 1.201 147 R CA -0.032 56.112 56.100 0.073 0.000 1.056 147 R CB -0.118 30.299 30.300 0.195 0.000 1.243 147 R HN 0.180 nan 8.270 nan 0.000 0.498 148 G N 1.852 110.641 108.800 -0.018 0.000 2.860 148 G HA2 -0.349 3.611 3.960 0.001 0.000 0.347 148 G HA3 -0.349 3.611 3.960 0.001 0.000 0.347 148 G C -1.318 173.462 174.900 -0.200 0.000 1.146 148 G CA 1.222 46.255 45.100 -0.113 0.000 1.064 148 G HN 0.502 nan 8.290 nan 0.000 0.857 149 P HA 0.104 nan 4.420 nan 0.000 0.223 149 P C 0.505 177.705 177.300 -0.167 0.000 1.151 149 P CA 1.338 64.233 63.100 -0.342 0.000 0.787 149 P CB 0.102 31.461 31.700 -0.568 0.000 0.788 150 K N -0.721 119.609 120.400 -0.117 0.000 3.148 150 K HA -0.195 4.125 4.320 0.001 0.000 0.267 150 K C 0.045 176.618 176.600 -0.044 0.000 0.996 150 K CA 0.842 57.093 56.287 -0.060 0.000 0.737 150 K CB -1.874 30.602 32.500 -0.041 0.000 1.308 150 K HN 0.421 nan 8.250 nan 0.000 0.470 151 R N 0.347 120.811 120.500 -0.059 0.000 2.629 151 R HA 0.144 4.484 4.340 0.001 0.000 0.266 151 R C -1.634 174.670 176.300 0.007 0.000 1.051 151 R CA -0.712 55.383 56.100 -0.009 0.000 0.895 151 R CB 1.235 31.538 30.300 0.005 0.000 1.246 151 R HN 0.010 nan 8.270 nan 0.000 0.459 152 D N 4.791 125.242 120.400 0.085 0.000 2.435 152 D HA 0.110 4.751 4.640 0.001 0.000 0.230 152 D C 1.041 177.438 176.300 0.163 0.000 1.215 152 D CA -0.040 54.048 54.000 0.146 0.000 0.947 152 D CB 0.550 41.475 40.800 0.209 0.000 1.048 152 D HN 0.534 nan 8.370 nan 0.000 0.512 153 L N 2.729 124.005 121.223 0.088 0.000 2.056 153 L HA -0.150 4.190 4.340 0.001 0.000 0.207 153 L C 2.393 179.410 176.870 0.245 0.000 1.078 153 L CA 0.545 55.421 54.840 0.060 0.000 0.749 153 L CB -0.357 41.602 42.059 -0.166 0.000 0.901 153 L HN 0.276 nan 8.230 nan 0.000 0.433 154 V N 0.461 120.491 119.914 0.192 0.000 2.295 154 V HA -0.215 3.906 4.120 0.001 0.000 0.246 154 V C 2.653 178.638 176.094 -0.181 0.000 1.049 154 V CA 2.132 64.488 62.300 0.094 0.000 1.024 154 V CB -1.353 30.444 31.823 -0.045 0.000 0.648 154 V HN 0.563 nan 8.190 nan 0.000 0.447 155 G N -0.532 108.149 108.800 -0.199 0.000 2.418 155 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 155 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 155 G C 1.241 176.128 174.900 -0.021 0.000 1.158 155 G CA 0.990 46.028 45.100 -0.102 0.000 0.771 155 G HN 0.497 nan 8.290 nan 0.000 0.545 156 D N -0.060 120.403 120.400 0.105 0.000 2.144 156 D HA -0.063 4.577 4.640 0.001 0.000 0.200 156 D C 2.344 178.673 176.300 0.048 0.000 0.978 156 D CA 0.422 54.484 54.000 0.103 0.000 0.833 156 D CB -0.202 40.741 40.800 0.238 0.000 0.961 156 D HN 0.256 nan 8.370 nan 0.000 0.470 157 L N 0.596 121.940 121.223 0.201 0.000 2.109 157 L HA 0.059 4.399 4.340 0.001 0.000 0.207 157 L C 2.044 178.835 176.870 -0.132 0.000 1.086 157 L CA 1.337 56.293 54.840 0.194 0.000 0.760 157 L CB -0.629 41.768 42.059 0.562 0.000 0.910 157 L HN -0.049 nan 8.230 nan 0.000 0.437 158 A N -0.188 122.282 122.820 -0.583 0.000 1.865 158 A HA -0.294 4.026 4.320 0.001 0.000 0.217 158 A C 2.457 179.761 177.584 -0.467 0.000 1.191 158 A CA 2.146 53.445 52.037 -1.229 0.000 0.623 158 A CB -0.722 17.461 19.000 -1.363 0.000 0.826 158 A HN 0.504 nan 8.150 nan 0.000 0.444 159 K N -0.373 119.876 120.400 -0.252 0.000 2.032 159 K HA -0.155 4.165 4.320 0.001 0.000 0.209 159 K C 2.156 178.695 176.600 -0.102 0.000 1.048 159 K CA 1.499 57.711 56.287 -0.126 0.000 0.927 159 K CB -0.369 32.086 32.500 -0.075 0.000 0.712 159 K HN 0.370 nan 8.250 nan 0.000 0.441 160 A N 0.639 123.396 122.820 -0.105 0.000 1.898 160 A HA -0.087 4.234 4.320 0.001 0.000 0.216 160 A C 2.270 179.841 177.584 -0.022 0.000 1.181 160 A CA 1.532 53.519 52.037 -0.083 0.000 0.620 160 A CB -0.614 18.309 19.000 -0.130 0.000 0.819 160 A HN 0.189 nan 8.150 nan 0.000 0.442 161 V N -0.068 119.863 119.914 0.028 0.000 2.295 161 V HA -0.280 3.841 4.120 0.001 0.000 0.246 161 V C 2.670 178.807 176.094 0.072 0.000 1.049 161 V CA 2.391 64.766 62.300 0.125 0.000 1.024 161 V CB -0.770 31.221 31.823 0.281 0.000 0.648 161 V HN 0.532 nan 8.190 nan 0.000 0.447 162 R N -0.370 120.138 120.500 0.015 0.000 2.115 162 R HA -0.133 4.207 4.340 0.001 0.000 0.230 162 R C 2.249 178.545 176.300 -0.006 0.000 1.111 162 R CA 1.361 57.464 56.100 0.006 0.000 0.976 162 R CB -0.210 30.078 30.300 -0.019 0.000 0.870 162 R HN 0.598 nan 8.270 nan 0.000 0.445 163 E N 0.054 120.242 120.200 -0.020 0.000 2.204 163 E HA -0.096 4.254 4.350 0.001 0.000 0.194 163 E C 1.528 178.119 176.600 -0.015 0.000 0.989 163 E CA 0.926 57.312 56.400 -0.023 0.000 0.824 163 E CB 0.098 29.775 29.700 -0.038 0.000 0.756 163 E HN 0.340 nan 8.360 nan 0.000 0.477 164 A N 0.035 122.854 122.820 -0.002 0.000 2.238 164 A HA 0.232 4.552 4.320 0.001 0.000 0.208 164 A C 1.690 179.282 177.584 0.014 0.000 1.177 164 A CA 0.804 52.844 52.037 0.006 0.000 0.804 164 A CB -0.283 18.730 19.000 0.021 0.000 0.823 164 A HN 0.321 nan 8.150 nan 0.000 0.482 165 G N -1.511 107.297 108.800 0.013 0.000 2.141 165 G HA2 -0.191 3.769 3.960 0.001 0.000 0.242 165 G HA3 -0.191 3.769 3.960 0.001 0.000 0.242 165 G C 0.052 174.964 174.900 0.019 0.000 0.982 165 G CA 0.328 45.433 45.100 0.008 0.000 0.662 165 G HN 0.419 nan 8.290 nan 0.000 0.527 166 L N -0.088 121.165 121.223 0.050 0.000 2.387 166 L HA 0.673 5.014 4.340 0.001 0.000 0.266 166 L C 1.057 177.970 176.870 0.072 0.000 1.059 166 L CA -1.334 53.552 54.840 0.077 0.000 0.801 166 L CB 0.711 42.847 42.059 0.129 0.000 1.223 166 L HN -0.032 nan 8.230 nan 0.000 0.456 167 R N 0.691 121.226 120.500 0.058 0.000 2.560 167 R HA 0.370 4.710 4.340 0.001 0.000 0.270 167 R C -1.072 175.384 176.300 0.261 0.000 1.074 167 R CA -0.284 55.807 56.100 -0.016 0.000 1.140 167 R CB 0.913 30.987 30.300 -0.377 0.000 1.073 167 R HN 0.356 nan 8.270 nan 0.000 0.527 168 F N -0.056 119.956 119.950 0.104 0.000 2.536 168 F HA 0.547 5.074 4.527 0.001 0.000 0.322 168 F C -0.210 175.746 175.800 0.260 0.000 1.144 168 F CA -0.412 57.703 58.000 0.192 0.000 0.924 168 F CB 1.751 40.843 39.000 0.153 0.000 1.181 168 F HN 0.562 nan 8.300 nan 0.000 0.438 169 G N 3.275 111.911 108.800 -0.273 0.000 2.788 169 G HA2 0.676 4.636 3.960 0.001 0.000 0.293 169 G HA3 0.676 4.636 3.960 0.001 0.000 0.293 169 G C -1.693 172.959 174.900 -0.414 0.000 1.305 169 G CA -0.632 44.413 45.100 -0.092 0.000 1.005 169 G HN 1.111 nan 8.290 nan 0.000 0.496 170 V N -2.341 117.556 119.914 -0.028 0.000 2.841 170 V HA 0.743 4.864 4.120 0.001 0.000 0.310 170 V C -1.311 174.966 176.094 0.306 0.000 1.090 170 V CA -1.281 61.045 62.300 0.044 0.000 0.930 170 V CB 1.288 33.136 31.823 0.042 0.000 1.014 170 V HN 0.874 nan 8.190 nan 0.000 0.425 171 Y N 4.604 125.039 120.300 0.224 0.000 2.342 171 Y HA 0.767 5.317 4.550 0.001 0.000 0.334 171 Y C -1.388 174.691 175.900 0.298 0.000 1.067 171 Y CA -0.849 57.448 58.100 0.328 0.000 1.128 171 Y CB 1.842 40.430 38.460 0.213 0.000 1.200 171 Y HN 0.878 nan 8.280 nan 0.000 0.464 172 Y N 4.307 124.423 120.300 -0.307 0.000 2.396 172 Y HA 0.303 4.854 4.550 0.001 0.000 0.332 172 Y C -0.777 174.902 175.900 -0.368 0.000 1.034 172 Y CA -0.871 57.151 58.100 -0.130 0.000 1.057 172 Y CB 1.866 40.355 38.460 0.047 0.000 1.220 172 Y HN 0.616 nan 8.280 nan 0.000 0.440 173 S N 4.199 119.510 115.700 -0.649 0.000 3.072 173 S HA 0.224 4.694 4.470 0.001 0.000 0.306 173 S C 1.111 175.501 174.600 -0.351 0.000 1.207 173 S CA 0.480 58.427 58.200 -0.421 0.000 1.008 173 S CB -0.539 62.502 63.200 -0.265 0.000 1.390 173 S HN 1.051 nan 8.310 nan 0.000 0.523 174 G N 3.328 112.098 108.800 -0.050 0.000 2.408 174 G HA2 0.002 3.963 3.960 0.001 0.000 0.215 174 G HA3 0.002 3.963 3.960 0.001 0.000 0.215 174 G C 1.279 176.133 174.900 -0.076 0.000 1.156 174 G CA 0.482 45.598 45.100 0.027 0.000 0.793 174 G HN 0.730 nan 8.290 nan 0.000 0.535 175 G N -0.365 108.392 108.800 -0.071 0.000 2.511 175 G HA2 0.300 4.261 3.960 0.001 0.000 0.217 175 G HA3 0.300 4.261 3.960 0.001 0.000 0.217 175 G C 0.417 175.198 174.900 -0.198 0.000 1.133 175 G CA 0.086 45.127 45.100 -0.097 0.000 0.792 175 G HN 0.358 nan 8.290 nan 0.000 0.539 176 L N 0.065 121.125 121.223 -0.273 0.000 2.431 176 L HA 0.516 4.857 4.340 0.001 0.000 0.266 176 L C -1.789 174.829 176.870 -0.421 0.000 0.978 176 L CA -0.892 53.694 54.840 -0.423 0.000 0.822 176 L CB 2.873 44.520 42.059 -0.686 0.000 1.310 176 L HN -0.148 nan 8.230 nan 0.000 0.409 177 D N 1.679 121.833 120.400 -0.411 0.000 2.470 177 D HA 0.152 4.792 4.640 0.001 0.000 0.233 177 D C -0.161 176.167 176.300 0.047 0.000 1.372 177 D CA -0.349 53.546 54.000 -0.174 0.000 0.994 177 D CB 1.153 41.980 40.800 0.045 0.000 1.377 177 D HN 0.364 nan 8.370 nan 0.000 0.586 178 W N 2.831 124.174 121.300 0.071 0.000 2.961 178 W HA 0.076 4.736 4.660 0.001 0.000 0.240 178 W C 1.577 178.118 176.519 0.037 0.000 1.305 178 W CA -0.199 57.155 57.345 0.016 0.000 1.465 178 W CB -0.248 29.189 29.460 -0.038 0.000 1.135 178 W HN 0.328 nan 8.180 nan 0.000 0.688 179 R N -0.403 120.264 120.500 0.278 0.000 2.276 179 R HA -0.011 4.330 4.340 0.001 0.000 0.203 179 R C 0.749 176.934 176.300 -0.192 0.000 1.017 179 R CA 0.646 56.751 56.100 0.008 0.000 1.010 179 R CB -0.690 29.568 30.300 -0.070 0.000 0.900 179 R HN 0.191 nan 8.270 nan 0.000 0.469 180 F N -0.173 119.763 119.950 -0.022 0.000 2.661 180 F HA 0.144 4.671 4.527 0.001 0.000 0.306 180 F C 0.991 176.758 175.800 -0.055 0.000 1.094 180 F CA -0.252 57.708 58.000 -0.067 0.000 1.254 180 F CB 0.401 39.311 39.000 -0.150 0.000 1.040 180 F HN -0.195 nan 8.300 nan 0.000 0.562 181 T N -4.128 110.503 114.554 0.129 0.000 2.887 181 T HA 0.520 4.870 4.350 0.001 0.000 0.292 181 T C 0.671 175.378 174.700 0.011 0.000 1.087 181 T CA 0.109 62.245 62.100 0.061 0.000 1.009 181 T CB 2.063 70.966 68.868 0.058 0.000 1.203 181 T HN -0.010 nan 8.240 nan 0.000 0.518 182 T N -3.002 111.537 114.554 -0.025 0.000 2.964 182 T HA 0.312 4.663 4.350 0.001 0.000 0.250 182 T C 0.319 174.966 174.700 -0.088 0.000 0.982 182 T CA -0.063 62.008 62.100 -0.049 0.000 0.959 182 T CB -0.041 68.808 68.868 -0.031 0.000 1.141 182 T HN 0.594 nan 8.240 nan 0.000 0.494 183 E N 4.021 124.168 120.200 -0.088 0.000 2.283 183 E HA 0.452 4.803 4.350 0.001 0.000 0.278 183 E C -2.486 173.995 176.600 -0.199 0.000 1.027 183 E CA -2.477 53.856 56.400 -0.112 0.000 0.843 183 E CB 1.082 30.745 29.700 -0.062 0.000 1.062 183 E HN 0.236 nan 8.360 nan 0.000 0.401 184 P HA 0.165 nan 4.420 nan 0.000 0.276 184 P C -0.479 176.628 177.300 -0.322 0.000 1.252 184 P CA -0.452 62.441 63.100 -0.345 0.000 0.802 184 P CB 0.736 32.246 31.700 -0.317 0.000 1.035 185 I N 2.755 123.103 120.570 -0.369 0.000 2.396 185 I HA 0.174 4.345 4.170 0.001 0.000 0.289 185 I C 1.779 177.514 176.117 -0.636 0.000 1.056 185 I CA 0.203 61.217 61.300 -0.477 0.000 1.365 185 I CB 0.237 37.935 38.000 -0.504 0.000 1.407 185 I HN 0.469 nan 8.210 nan 0.000 0.509 186 R N 4.179 124.341 120.500 -0.563 0.000 2.257 186 R HA 0.200 4.540 4.340 0.001 0.000 0.195 186 R C -0.546 175.297 176.300 -0.762 0.000 0.921 186 R CA 0.335 55.979 56.100 -0.760 0.000 1.069 186 R CB 0.662 30.629 30.300 -0.555 0.000 1.115 186 R HN 0.457 nan 8.270 nan 0.000 0.571 187 Y N -0.825 119.405 120.300 -0.117 0.000 2.545 187 Y HA 0.278 4.829 4.550 0.001 0.000 0.348 187 Y C -1.859 174.058 175.900 0.028 0.000 1.002 187 Y CA -2.672 55.509 58.100 0.136 0.000 1.039 187 Y CB 1.767 40.319 38.460 0.153 0.000 1.271 187 Y HN -0.177 nan 8.280 nan 0.000 0.467 188 P HA -0.211 nan 4.420 nan 0.000 0.217 188 P C 0.706 178.083 177.300 0.127 0.000 1.151 188 P CA 1.812 65.078 63.100 0.276 0.000 0.849 188 P CB 0.392 32.240 31.700 0.247 0.000 0.787 189 E N -0.613 119.680 120.200 0.156 0.000 2.118 189 E HA -0.183 4.168 4.350 0.001 0.000 0.195 189 E C 1.680 178.332 176.600 0.087 0.000 0.992 189 E CA 1.191 57.672 56.400 0.133 0.000 0.804 189 E CB -0.997 28.799 29.700 0.160 0.000 0.741 189 E HN 0.311 nan 8.360 nan 0.000 0.458 190 D N 0.172 120.561 120.400 -0.018 0.000 2.190 190 D HA -0.160 4.480 4.640 0.001 0.000 0.200 190 D C 1.735 177.747 176.300 -0.479 0.000 0.992 190 D CA 0.708 54.475 54.000 -0.388 0.000 0.854 190 D CB -0.170 40.437 40.800 -0.322 0.000 0.936 190 D HN 0.228 nan 8.370 nan 0.000 0.462 191 L N 0.901 121.993 121.223 -0.217 0.000 2.265 191 L HA -0.148 4.193 4.340 0.001 0.000 0.215 191 L C 2.354 179.168 176.870 -0.094 0.000 1.117 191 L CA 1.040 55.801 54.840 -0.132 0.000 0.782 191 L CB -0.392 41.655 42.059 -0.020 0.000 0.914 191 L HN 0.077 nan 8.230 nan 0.000 0.441 192 S N -0.606 115.068 115.700 -0.045 0.000 2.489 192 S HA -0.143 4.327 4.470 0.001 0.000 0.228 192 S C 1.506 176.175 174.600 0.116 0.000 0.995 192 S CA 0.775 59.012 58.200 0.062 0.000 0.934 192 S CB -0.163 63.119 63.200 0.137 0.000 0.771 192 S HN 0.676 nan 8.310 nan 0.000 0.522 193 Y N -0.933 119.362 120.300 -0.008 0.000 2.435 193 Y HA 0.559 5.109 4.550 0.001 0.000 0.270 193 Y C 0.439 176.325 175.900 -0.024 0.000 1.093 193 Y CA -1.069 57.022 58.100 -0.015 0.000 1.226 193 Y CB 0.245 38.700 38.460 -0.009 0.000 1.289 193 Y HN 0.096 nan 8.280 nan 0.000 0.529 194 I N 4.663 124.964 120.570 -0.448 0.000 2.224 194 I HA 0.333 4.504 4.170 0.001 0.000 0.293 194 I C -0.474 175.546 176.117 -0.161 0.000 1.155 194 I CA -0.039 61.093 61.300 -0.280 0.000 1.297 194 I CB -0.216 37.554 38.000 -0.384 0.000 1.487 194 I HN 0.183 nan 8.210 nan 0.000 0.564 195 R N 4.485 124.916 120.500 -0.116 0.000 2.764 195 R HA 0.391 4.732 4.340 0.001 0.000 0.270 195 R C -2.118 174.079 176.300 -0.172 0.000 1.014 195 R CA -1.763 54.244 56.100 -0.154 0.000 0.904 195 R CB 0.646 30.858 30.300 -0.146 0.000 1.236 195 R HN -0.051 nan 8.270 nan 0.000 0.466 196 P HA -0.147 nan 4.420 nan 0.000 0.215 196 P C -0.107 177.105 177.300 -0.148 0.000 1.157 196 P CA 1.362 64.257 63.100 -0.343 0.000 0.874 196 P CB 0.265 31.309 31.700 -1.094 0.000 0.790 197 N N -3.778 114.832 118.700 -0.150 0.000 2.961 197 N HA -0.129 4.612 4.740 0.001 0.000 0.223 197 N C 0.188 175.624 175.510 -0.124 0.000 0.866 197 N CA 1.890 54.881 53.050 -0.099 0.000 1.030 197 N CB -2.279 36.176 38.487 -0.053 0.000 1.037 197 N HN 0.385 nan 8.380 nan 0.000 0.608 198 T N -2.733 111.779 114.554 -0.070 0.000 2.899 198 T HA 0.461 4.811 4.350 0.001 0.000 0.284 198 T C 1.282 175.918 174.700 -0.107 0.000 1.004 198 T CA -0.442 61.624 62.100 -0.058 0.000 1.043 198 T CB 0.835 69.760 68.868 0.094 0.000 1.013 198 T HN 0.094 nan 8.240 nan 0.000 0.518 199 Y N -0.090 120.246 120.300 0.059 0.000 2.242 199 Y HA -0.010 4.541 4.550 0.001 0.000 0.291 199 Y C 2.798 178.724 175.900 0.043 0.000 1.137 199 Y CA 1.505 59.628 58.100 0.039 0.000 1.181 199 Y CB -0.273 38.203 38.460 0.026 0.000 0.989 199 Y HN 0.880 nan 8.280 nan 0.000 0.527 200 E N -0.236 120.097 120.200 0.222 0.000 2.070 200 E HA -0.337 4.014 4.350 0.001 0.000 0.197 200 E C 1.985 178.665 176.600 0.134 0.000 1.004 200 E CA 1.749 58.259 56.400 0.184 0.000 0.805 200 E CB -0.460 29.369 29.700 0.216 0.000 0.744 200 E HN 0.584 nan 8.360 nan 0.000 0.451 201 Y N 0.541 120.809 120.300 -0.054 0.000 2.242 201 Y HA -0.104 4.447 4.550 0.001 0.000 0.291 201 Y C 2.057 177.873 175.900 -0.141 0.000 1.137 201 Y CA 1.462 59.402 58.100 -0.265 0.000 1.181 201 Y CB -0.549 37.570 38.460 -0.568 0.000 0.989 201 Y HN 0.157 nan 8.280 nan 0.000 0.527 202 A N 0.054 122.758 122.820 -0.193 0.000 1.940 202 A HA -0.199 4.122 4.320 0.001 0.000 0.219 202 A C 1.943 179.460 177.584 -0.111 0.000 1.176 202 A CA 2.069 53.983 52.037 -0.205 0.000 0.631 202 A CB -0.772 18.209 19.000 -0.032 0.000 0.814 202 A HN 0.511 nan 8.150 nan 0.000 0.446 203 D N -1.807 118.582 120.400 -0.018 0.000 2.097 203 D HA -0.126 4.514 4.640 0.001 0.000 0.197 203 D C 1.708 178.022 176.300 0.024 0.000 0.984 203 D CA 1.481 55.508 54.000 0.046 0.000 0.826 203 D CB -0.501 40.335 40.800 0.061 0.000 0.973 203 D HN 0.570 nan 8.370 nan 0.000 0.460 204 Y N 1.841 122.030 120.300 -0.185 0.000 2.097 204 Y HA -0.232 4.319 4.550 0.001 0.000 0.282 204 Y C 2.253 178.024 175.900 -0.215 0.000 1.152 204 Y CA 1.915 59.898 58.100 -0.194 0.000 1.136 204 Y CB -0.578 37.819 38.460 -0.106 0.000 0.975 204 Y HN -0.051 nan 8.280 nan 0.000 0.498 205 A N -0.438 122.099 122.820 -0.472 0.000 1.883 205 A HA -0.269 4.052 4.320 0.001 0.000 0.217 205 A C 2.215 179.764 177.584 -0.058 0.000 1.186 205 A CA 1.845 53.611 52.037 -0.451 0.000 0.624 205 A CB -1.709 16.724 19.000 -0.944 0.000 0.822 205 A HN 0.746 nan 8.150 nan 0.000 0.444 206 Y N 0.868 121.182 120.300 0.022 0.000 2.145 206 Y HA -0.205 4.345 4.550 0.001 0.000 0.286 206 Y C 2.243 178.098 175.900 -0.074 0.000 1.145 206 Y CA 2.311 60.497 58.100 0.144 0.000 1.148 206 Y CB -0.240 38.275 38.460 0.093 0.000 0.981 206 Y HN 0.254 nan 8.280 nan 0.000 0.507 207 K N -0.094 120.182 120.400 -0.207 0.000 2.057 207 K HA -0.221 4.100 4.320 0.001 0.000 0.207 207 K C 2.111 178.534 176.600 -0.295 0.000 1.049 207 K CA 1.905 57.934 56.287 -0.431 0.000 0.931 207 K CB -0.268 31.756 32.500 -0.794 0.000 0.714 207 K HN 0.543 nan 8.250 nan 0.000 0.440 208 Q N 0.402 120.051 119.800 -0.251 0.000 2.119 208 Q HA -0.094 4.247 4.340 0.001 0.000 0.201 208 Q C 2.233 178.154 176.000 -0.132 0.000 0.972 208 Q CA 1.097 56.912 55.803 0.021 0.000 0.847 208 Q CB 0.003 28.765 28.738 0.040 0.000 0.903 208 Q HN 0.109 nan 8.270 nan 0.000 0.433 209 V N 0.839 120.550 119.914 -0.339 0.000 2.427 209 V HA -0.246 3.875 4.120 0.001 0.000 0.248 209 V C 2.272 178.233 176.094 -0.222 0.000 1.051 209 V CA 1.230 63.350 62.300 -0.300 0.000 1.048 209 V CB -0.400 31.321 31.823 -0.170 0.000 0.666 209 V HN 0.409 nan 8.190 nan 0.000 0.456 210 M N -0.363 119.056 119.600 -0.302 0.000 2.108 210 M HA -0.201 4.279 4.480 0.001 0.000 0.261 210 M C 2.205 178.452 176.300 -0.088 0.000 1.066 210 M CA 1.735 56.860 55.300 -0.291 0.000 1.107 210 M CB -1.054 31.210 32.600 -0.560 0.000 1.356 210 M HN 0.495 nan 8.290 nan 0.000 0.406 211 E N 0.347 120.537 120.200 -0.016 0.000 2.110 211 E HA -0.159 4.192 4.350 0.001 0.000 0.193 211 E C 2.127 178.711 176.600 -0.026 0.000 0.988 211 E CA 0.830 57.288 56.400 0.098 0.000 0.804 211 E CB 0.067 29.987 29.700 0.367 0.000 0.745 211 E HN 0.457 nan 8.360 nan 0.000 0.458 212 L N 0.118 121.278 121.223 -0.106 0.000 2.056 212 L HA -0.164 4.177 4.340 0.001 0.000 0.207 212 L C 2.517 179.383 176.870 -0.006 0.000 1.078 212 L CA 0.651 55.413 54.840 -0.131 0.000 0.749 212 L CB -0.348 41.583 42.059 -0.213 0.000 0.901 212 L HN 0.101 nan 8.230 nan 0.000 0.433 213 V N -0.107 119.810 119.914 0.005 0.000 2.295 213 V HA -0.304 3.817 4.120 0.001 0.000 0.246 213 V C 2.096 178.251 176.094 0.100 0.000 1.049 213 V CA 2.006 64.368 62.300 0.104 0.000 1.024 213 V CB -0.499 31.416 31.823 0.153 0.000 0.648 213 V HN 0.434 nan 8.190 nan 0.000 0.447 214 D N -0.165 120.276 120.400 0.068 0.000 2.144 214 D HA -0.068 4.573 4.640 0.001 0.000 0.200 214 D C 2.053 178.298 176.300 -0.092 0.000 0.978 214 D CA 1.148 55.171 54.000 0.039 0.000 0.833 214 D CB -0.083 40.755 40.800 0.062 0.000 0.961 214 D HN 0.361 nan 8.370 nan 0.000 0.470 215 L N -1.353 119.705 121.223 -0.276 0.000 2.249 215 L HA -0.014 4.326 4.340 0.001 0.000 0.207 215 L C 1.350 177.804 176.870 -0.693 0.000 1.090 215 L CA 0.724 55.202 54.840 -0.604 0.000 0.802 215 L CB -0.019 41.387 42.059 -1.088 0.000 0.947 215 L HN 0.059 nan 8.230 nan 0.000 0.453 216 Y N -2.472 117.866 120.300 0.062 0.000 2.448 216 Y HA 0.273 4.824 4.550 0.001 0.000 0.257 216 Y C 0.410 176.390 175.900 0.133 0.000 1.089 216 Y CA -1.010 57.147 58.100 0.095 0.000 1.245 216 Y CB 0.674 39.232 38.460 0.162 0.000 1.282 216 Y HN -0.206 nan 8.280 nan 0.000 0.529 217 L N 2.419 123.767 121.223 0.208 0.000 3.965 217 L HA -0.196 4.145 4.340 0.001 0.000 0.499 217 L C -2.761 174.318 176.870 0.350 0.000 1.194 217 L CA -0.558 54.418 54.840 0.226 0.000 0.707 217 L CB -1.133 40.954 42.059 0.046 0.000 1.414 217 L HN -0.029 nan 8.230 nan 0.000 0.802 218 P HA 0.106 nan 4.420 nan 0.000 0.270 218 P C 0.486 178.167 177.300 0.635 0.000 1.223 218 P CA -0.096 63.300 63.100 0.494 0.000 0.785 218 P CB 0.506 32.411 31.700 0.342 0.000 0.923 219 D N -0.561 120.165 120.400 0.543 0.000 2.289 219 D HA 0.041 4.681 4.640 0.001 0.000 0.207 219 D C 0.182 176.865 176.300 0.638 0.000 0.966 219 D CA 1.110 55.462 54.000 0.587 0.000 0.868 219 D CB 0.326 41.300 40.800 0.290 0.000 0.943 219 D HN 0.075 nan 8.370 nan 0.000 0.514 220 V N 1.257 121.479 119.914 0.513 0.000 2.808 220 V HA 0.300 4.420 4.120 0.001 0.000 0.308 220 V C -0.454 175.846 176.094 0.344 0.000 1.099 220 V CA -0.738 61.840 62.300 0.463 0.000 0.920 220 V CB 3.003 35.137 31.823 0.519 0.000 1.014 220 V HN -0.104 nan 8.190 nan 0.000 0.425 221 L N 3.317 124.705 121.223 0.275 0.000 2.301 221 L HA 0.404 4.744 4.340 0.001 0.000 0.278 221 L C -1.150 175.938 176.870 0.364 0.000 1.022 221 L CA -0.066 54.922 54.840 0.246 0.000 0.854 221 L CB 1.152 43.274 42.059 0.105 0.000 1.226 221 L HN 0.755 nan 8.230 nan 0.000 0.429 222 W N 4.795 126.185 121.300 0.149 0.000 2.253 222 W HA 0.247 4.908 4.660 0.001 0.000 0.348 222 W C 0.513 176.886 176.519 -0.242 0.000 0.920 222 W CA -0.295 57.087 57.345 0.061 0.000 1.518 222 W CB 0.797 30.414 29.460 0.260 0.000 1.446 222 W HN 0.438 nan 8.180 nan 0.000 0.361 223 N N 2.750 121.113 118.700 -0.563 0.000 2.483 223 N HA 0.143 4.883 4.740 0.001 0.000 0.269 223 N C -1.047 174.137 175.510 -0.543 0.000 1.209 223 N CA 0.415 53.002 53.050 -0.771 0.000 0.969 223 N CB 0.928 38.375 38.487 -1.733 0.000 1.173 223 N HN 0.257 nan 8.380 nan 0.000 0.475 224 D N 1.378 121.568 120.400 -0.351 0.000 2.645 224 D HA 0.357 4.997 4.640 0.001 0.000 0.228 224 D C -0.304 175.971 176.300 -0.042 0.000 1.148 224 D CA -0.161 53.781 54.000 -0.097 0.000 0.860 224 D CB 0.825 41.709 40.800 0.140 0.000 1.548 224 D HN 0.504 nan 8.370 nan 0.000 0.460 225 M N 1.002 120.622 119.600 0.032 0.000 2.653 225 M HA -0.113 4.368 4.480 0.001 0.000 0.203 225 M C 0.565 176.870 176.300 0.007 0.000 0.502 225 M CA 1.159 56.476 55.300 0.028 0.000 0.601 225 M CB -2.518 30.071 32.600 -0.018 0.000 2.228 225 M HN 0.879 nan 8.290 nan 0.000 0.711 226 G N -0.364 108.440 108.800 0.007 0.000 2.846 226 G HA2 -0.198 3.762 3.960 0.001 0.000 0.660 226 G HA3 -0.198 3.762 3.960 0.001 0.000 0.660 226 G C -0.678 174.347 174.900 0.207 0.000 1.464 226 G CA -0.111 45.044 45.100 0.091 0.000 0.891 226 G HN 0.703 nan 8.290 nan 0.000 0.552 227 W N 1.103 122.453 121.300 0.083 0.000 2.570 227 W HA 0.553 5.213 4.660 0.001 0.000 0.337 227 W C -2.043 174.549 176.519 0.121 0.000 1.067 227 W CA -1.973 55.460 57.345 0.146 0.000 1.229 227 W CB 1.931 31.544 29.460 0.256 0.000 1.355 227 W HN 0.505 nan 8.180 nan 0.000 0.555 228 P HA -0.108 nan 4.420 nan 0.000 0.261 228 P C 0.499 177.838 177.300 0.065 0.000 1.183 228 P CA 0.799 63.828 63.100 -0.119 0.000 0.761 228 P CB 0.643 32.203 31.700 -0.233 0.000 0.785 229 E N 3.407 123.645 120.200 0.062 0.000 2.130 229 E HA -0.230 4.121 4.350 0.001 0.000 0.196 229 E C 1.292 177.949 176.600 0.096 0.000 0.998 229 E CA 1.728 58.184 56.400 0.093 0.000 0.806 229 E CB -0.237 29.489 29.700 0.044 0.000 0.738 229 E HN 0.377 nan 8.360 nan 0.000 0.459 230 K N -1.554 118.859 120.400 0.023 0.000 2.283 230 K HA 0.005 4.326 4.320 0.001 0.000 0.202 230 K C 1.694 178.370 176.600 0.127 0.000 1.048 230 K CA 0.963 57.265 56.287 0.026 0.000 0.948 230 K CB 0.081 32.472 32.500 -0.180 0.000 0.742 230 K HN 0.180 nan 8.250 nan 0.000 0.458 231 G N 0.437 109.353 108.800 0.193 0.000 3.126 231 G HA2 -0.044 3.917 3.960 0.001 0.000 0.224 231 G HA3 -0.044 3.917 3.960 0.001 0.000 0.224 231 G C 0.901 176.084 174.900 0.470 0.000 1.142 231 G CA -0.245 45.066 45.100 0.352 0.000 0.759 231 G HN 0.095 nan 8.290 nan 0.000 0.550 232 K N 0.604 121.252 120.400 0.415 0.000 2.113 232 K HA -0.099 4.222 4.320 0.001 0.000 0.208 232 K C 2.117 178.835 176.600 0.196 0.000 1.047 232 K CA 1.125 57.590 56.287 0.297 0.000 0.928 232 K CB 0.058 32.711 32.500 0.255 0.000 0.716 232 K HN 0.118 nan 8.250 nan 0.000 0.446 233 E N 1.019 121.330 120.200 0.184 0.000 2.204 233 E HA -0.166 4.185 4.350 0.001 0.000 0.195 233 E C 1.429 178.077 176.600 0.080 0.000 0.990 233 E CA 1.007 57.494 56.400 0.145 0.000 0.821 233 E CB -0.137 29.644 29.700 0.135 0.000 0.750 233 E HN 0.317 nan 8.360 nan 0.000 0.477 234 D N 0.654 121.088 120.400 0.056 0.000 2.178 234 D HA -0.131 4.509 4.640 0.001 0.000 0.201 234 D C 2.103 178.343 176.300 -0.099 0.000 0.980 234 D CA 0.488 54.489 54.000 0.002 0.000 0.842 234 D CB -0.287 40.452 40.800 -0.102 0.000 0.948 234 D HN 0.223 nan 8.370 nan 0.000 0.472 235 L N 0.601 121.612 121.223 -0.353 0.000 2.131 235 L HA -0.166 4.175 4.340 0.001 0.000 0.210 235 L C 2.312 178.632 176.870 -0.917 0.000 1.092 235 L CA 1.056 55.357 54.840 -0.898 0.000 0.759 235 L CB -0.389 40.965 42.059 -1.174 0.000 0.903 235 L HN 0.008 nan 8.230 nan 0.000 0.435 236 K N -0.269 119.652 120.400 -0.798 0.000 2.074 236 K HA -0.217 4.104 4.320 0.001 0.000 0.209 236 K C 2.063 178.184 176.600 -0.799 0.000 1.048 236 K CA 1.875 57.484 56.287 -1.130 0.000 0.926 236 K CB -0.334 31.313 32.500 -1.422 0.000 0.713 236 K HN 0.276 nan 8.250 nan 0.000 0.444 237 Y N 0.730 120.828 120.300 -0.337 0.000 2.243 237 Y HA -0.085 4.465 4.550 0.001 0.000 0.293 237 Y C 2.264 178.118 175.900 -0.077 0.000 1.124 237 Y CA 0.518 58.523 58.100 -0.159 0.000 1.159 237 Y CB -0.411 37.981 38.460 -0.113 0.000 1.008 237 Y HN -0.014 nan 8.280 nan 0.000 0.527 238 L N -0.791 120.426 121.223 -0.011 0.000 2.017 238 L HA -0.226 4.114 4.340 0.001 0.000 0.208 238 L C 2.151 179.026 176.870 0.008 0.000 1.073 238 L CA 1.610 56.418 54.840 -0.054 0.000 0.745 238 L CB -0.448 41.469 42.059 -0.237 0.000 0.894 238 L HN 0.224 nan 8.230 nan 0.000 0.432 239 F N -0.389 119.350 119.950 -0.352 0.000 2.134 239 F HA -0.257 4.271 4.527 0.001 0.000 0.299 239 F C 2.642 178.198 175.800 -0.407 0.000 1.097 239 F CA 0.383 58.059 58.000 -0.540 0.000 1.264 239 F CB -0.424 38.241 39.000 -0.558 0.000 1.001 239 F HN 0.266 nan 8.300 nan 0.000 0.479 240 A N -0.313 122.502 122.820 -0.010 0.000 1.902 240 A HA -0.277 4.044 4.320 0.001 0.000 0.217 240 A C 1.884 179.563 177.584 0.158 0.000 1.181 240 A CA 1.439 53.523 52.037 0.079 0.000 0.623 240 A CB -1.393 17.628 19.000 0.036 0.000 0.818 240 A HN 0.533 nan 8.150 nan 0.000 0.443 241 Y N -1.220 119.107 120.300 0.045 0.000 2.181 241 Y HA -0.290 4.261 4.550 0.001 0.000 0.288 241 Y C 2.225 178.187 175.900 0.103 0.000 1.146 241 Y CA 2.114 60.260 58.100 0.077 0.000 1.164 241 Y CB -0.577 37.923 38.460 0.067 0.000 0.982 241 Y HN 0.463 nan 8.280 nan 0.000 0.515 242 Y N -0.975 119.340 120.300 0.026 0.000 2.133 242 Y HA -0.323 4.228 4.550 0.001 0.000 0.287 242 Y C 1.955 177.819 175.900 -0.059 0.000 1.134 242 Y CA 1.806 59.855 58.100 -0.085 0.000 1.133 242 Y CB -0.689 37.648 38.460 -0.204 0.000 0.987 242 Y HN 0.116 nan 8.280 nan 0.000 0.502 243 Y N 0.735 120.881 120.300 -0.258 0.000 2.293 243 Y HA -0.207 4.344 4.550 0.001 0.000 0.291 243 Y C 2.239 178.115 175.900 -0.039 0.000 1.137 243 Y CA 1.092 58.950 58.100 -0.403 0.000 1.202 243 Y CB -0.958 37.049 38.460 -0.755 0.000 0.990 243 Y HN 0.279 nan 8.280 nan 0.000 0.537 244 N N 0.148 118.969 118.700 0.201 0.000 2.309 244 N HA -0.106 4.635 4.740 0.001 0.000 0.182 244 N C 1.484 177.015 175.510 0.035 0.000 1.018 244 N CA 1.060 54.205 53.050 0.159 0.000 0.876 244 N CB -0.127 38.427 38.487 0.111 0.000 0.972 244 N HN 0.389 nan 8.380 nan 0.000 0.434 245 K N -1.073 119.298 120.400 -0.048 0.000 2.262 245 K HA -0.000 4.320 4.320 0.001 0.000 0.200 245 K C 0.052 176.680 176.600 0.047 0.000 1.049 245 K CA 0.538 56.791 56.287 -0.057 0.000 0.979 245 K CB 0.252 32.667 32.500 -0.142 0.000 0.773 245 K HN 0.100 nan 8.250 nan 0.000 0.474 246 H N -0.348 118.653 119.070 -0.115 0.000 2.699 246 H HA 0.212 4.769 4.556 0.001 0.000 0.256 246 H C -2.669 172.615 175.328 -0.073 0.000 1.376 246 H CA -2.502 53.483 56.048 -0.104 0.000 1.549 246 H CB 1.038 30.698 29.762 -0.170 0.000 1.686 246 H HN -0.155 nan 8.280 nan 0.000 0.550 247 P HA -0.125 nan 4.420 nan 0.000 0.218 247 P C 0.793 178.136 177.300 0.071 0.000 1.148 247 P CA 1.155 64.338 63.100 0.139 0.000 0.822 247 P CB 0.477 32.293 31.700 0.193 0.000 0.784 248 E N -0.443 119.745 120.200 -0.021 0.000 2.494 248 E HA 0.105 4.455 4.350 0.001 0.000 0.193 248 E C 1.255 177.808 176.600 -0.078 0.000 1.074 248 E CA 0.053 56.485 56.400 0.054 0.000 0.867 248 E CB -0.231 29.616 29.700 0.244 0.000 0.924 248 E HN 0.208 nan 8.360 nan 0.000 0.502 249 G N 1.513 109.955 108.800 -0.596 0.000 2.634 249 G HA2 0.259 4.219 3.960 0.001 0.000 0.255 249 G HA3 0.259 4.219 3.960 0.001 0.000 0.255 249 G C -0.023 174.998 174.900 0.202 0.000 1.205 249 G CA -0.060 44.824 45.100 -0.360 0.000 0.884 249 G HN 0.166 nan 8.290 nan 0.000 0.549 250 S N -2.146 113.806 115.700 0.421 0.000 2.570 250 S HA 0.700 5.171 4.470 0.001 0.000 0.270 250 S C -0.804 173.946 174.600 0.250 0.000 1.149 250 S CA -0.260 58.138 58.200 0.331 0.000 0.837 250 S CB 1.641 64.895 63.200 0.090 0.000 1.124 250 S HN 1.828 nan 8.310 nan 0.000 0.465 251 V N 0.168 120.094 119.914 0.019 0.000 2.789 251 V HA 0.764 4.884 4.120 0.001 0.000 0.311 251 V C -0.194 175.621 176.094 -0.464 0.000 1.073 251 V CA -0.926 61.293 62.300 -0.136 0.000 0.921 251 V CB 1.388 32.858 31.823 -0.589 0.000 1.009 251 V HN 1.152 nan 8.190 nan 0.000 0.426 252 N N 2.719 121.081 118.700 -0.564 0.000 2.385 252 N HA 0.230 4.970 4.740 0.001 0.000 0.291 252 N C 0.088 175.344 175.510 -0.424 0.000 1.298 252 N CA 0.360 52.715 53.050 -1.159 0.000 0.955 252 N CB 0.072 37.745 38.487 -1.356 0.000 1.096 252 N HN 0.905 nan 8.380 nan 0.000 0.543 253 D N -2.523 117.570 120.400 -0.513 0.000 2.696 253 D HA 0.146 4.787 4.640 0.001 0.000 0.269 253 D C -0.172 175.964 176.300 -0.273 0.000 1.319 253 D CA -0.264 53.553 54.000 -0.305 0.000 0.826 253 D CB -0.265 40.125 40.800 -0.684 0.000 1.086 253 D HN 0.477 nan 8.370 nan 0.000 0.481 254 R N 0.013 120.264 120.500 -0.415 0.000 2.696 254 R HA 0.240 4.580 4.340 0.001 0.000 0.355 254 R C -0.112 176.010 176.300 -0.296 0.000 1.138 254 R CA -0.261 55.617 56.100 -0.371 0.000 1.059 254 R CB 0.019 30.027 30.300 -0.487 0.000 1.380 254 R HN 0.163 nan 8.270 nan 0.000 0.578 255 W N -0.499 120.805 121.300 0.007 0.000 2.907 255 W HA 0.267 4.927 4.660 0.001 0.000 0.271 255 W C 1.348 177.926 176.519 0.099 0.000 1.253 255 W CA 0.370 57.780 57.345 0.108 0.000 1.501 255 W CB 0.410 29.927 29.460 0.094 0.000 1.047 255 W HN 0.264 nan 8.180 nan 0.000 0.610 256 G N 1.356 110.294 108.800 0.230 0.000 2.198 256 G HA2 -0.131 3.830 3.960 0.001 0.000 0.257 256 G HA3 -0.131 3.830 3.960 0.001 0.000 0.257 256 G C -0.150 174.792 174.900 0.070 0.000 1.042 256 G CA 0.254 45.429 45.100 0.125 0.000 0.791 256 G HN 0.505 nan 8.290 nan 0.000 0.502 257 V N -4.743 115.186 119.914 0.025 0.000 3.155 257 V HA 0.877 4.998 4.120 0.001 0.000 0.313 257 V C -0.721 175.154 176.094 -0.365 0.000 1.162 257 V CA -1.369 60.770 62.300 -0.269 0.000 1.048 257 V CB 1.213 32.769 31.823 -0.444 0.000 1.092 257 V HN -0.060 nan 8.190 nan 0.000 0.447 258 P HA -0.060 nan 4.420 nan 0.000 0.218 258 P C 0.150 177.309 177.300 -0.234 0.000 1.148 258 P CA 1.532 64.321 63.100 -0.519 0.000 0.822 258 P CB -0.134 31.092 31.700 -0.790 0.000 0.784 259 H N -0.558 118.339 119.070 -0.287 0.000 2.481 259 H HA 0.395 4.951 4.556 0.001 0.000 0.339 259 H C -0.538 174.823 175.328 0.055 0.000 1.131 259 H CA -0.432 55.568 56.048 -0.080 0.000 1.301 259 H CB 0.420 30.322 29.762 0.234 0.000 1.476 259 H HN 0.039 nan 8.280 nan 0.000 0.529 260 W N 3.459 124.242 121.300 -0.861 0.000 3.173 260 W HA 0.202 4.862 4.660 0.001 0.000 0.313 260 W C -1.319 174.806 176.519 -0.657 0.000 1.228 260 W CA -0.576 56.393 57.345 -0.627 0.000 1.185 260 W CB 0.569 29.820 29.460 -0.349 0.000 1.390 260 W HN 0.449 nan 8.180 nan 0.000 0.568 261 D N 0.969 121.289 120.400 -0.133 0.000 2.380 261 D HA 0.132 4.773 4.640 0.001 0.000 0.212 261 D C 0.094 176.637 176.300 0.405 0.000 1.021 261 D CA 1.190 55.194 54.000 0.006 0.000 0.884 261 D CB 0.952 41.794 40.800 0.070 0.000 1.001 261 D HN 0.233 nan 8.370 nan 0.000 0.506 262 F N -0.598 119.568 119.950 0.361 0.000 2.641 262 F HA 0.530 5.058 4.527 0.001 0.000 0.308 262 F C -0.462 175.386 175.800 0.080 0.000 1.105 262 F CA -1.338 56.858 58.000 0.327 0.000 0.964 262 F CB 1.280 40.381 39.000 0.169 0.000 1.294 262 F HN -0.515 nan 8.300 nan 0.000 0.442 263 K N 0.588 121.065 120.400 0.127 0.000 2.148 263 K HA 0.778 5.098 4.320 0.001 0.000 0.239 263 K C -0.612 176.150 176.600 0.270 0.000 1.018 263 K CA -0.677 55.497 56.287 -0.189 0.000 0.923 263 K CB 1.764 33.999 32.500 -0.441 0.000 1.117 263 K HN 0.913 nan 8.250 nan 0.000 0.477 264 T N -2.642 112.005 114.554 0.156 0.000 2.883 264 T HA 0.749 5.100 4.350 0.001 0.000 0.301 264 T C -1.295 173.612 174.700 0.345 0.000 1.158 264 T CA -1.066 61.251 62.100 0.361 0.000 1.007 264 T CB 1.885 70.906 68.868 0.254 0.000 1.186 264 T HN 0.603 nan 8.240 nan 0.000 0.499 265 A N 1.067 124.199 122.820 0.520 0.000 2.486 265 A HA 0.804 5.124 4.320 0.001 0.000 0.300 265 A C -0.980 176.962 177.584 0.597 0.000 1.048 265 A CA -0.784 51.563 52.037 0.516 0.000 0.696 265 A CB 1.761 21.087 19.000 0.544 0.000 1.278 265 A HN 0.984 nan 8.150 nan 0.000 0.405 266 E N 1.714 122.223 120.200 0.516 0.000 2.216 266 E HA 0.575 4.925 4.350 0.001 0.000 0.260 266 E C -0.701 176.224 176.600 0.541 0.000 0.880 266 E CA -0.446 56.229 56.400 0.458 0.000 0.765 266 E CB 0.674 30.682 29.700 0.513 0.000 1.174 266 E HN 0.646 nan 8.360 nan 0.000 0.417 267 Y N 1.076 121.582 120.300 0.343 0.000 2.854 267 Y HA -0.494 4.057 4.550 0.001 0.000 0.466 267 Y C 1.667 177.761 175.900 0.323 0.000 1.170 267 Y CA 1.790 60.061 58.100 0.285 0.000 2.593 267 Y CB -0.985 37.574 38.460 0.164 0.000 1.203 267 Y HN 0.748 nan 8.280 nan 0.000 0.629 268 H N -0.476 118.870 119.070 0.461 0.000 2.495 268 H HA 0.085 4.641 4.556 0.001 0.000 0.287 268 H C 0.379 175.867 175.328 0.267 0.000 1.033 268 H CA 1.159 57.367 56.048 0.266 0.000 1.307 268 H CB -0.469 29.380 29.762 0.145 0.000 1.401 268 H HN 0.078 nan 8.280 nan 0.000 0.555 269 V N 3.641 123.779 119.914 0.373 0.000 2.450 269 V HA -0.083 4.037 4.120 0.001 0.000 0.281 269 V C 0.710 176.961 176.094 0.262 0.000 1.019 269 V CA 0.069 62.523 62.300 0.258 0.000 1.062 269 V CB 0.027 31.967 31.823 0.195 0.000 0.979 269 V HN 0.580 nan 8.190 nan 0.000 0.477 270 N N 2.318 121.120 118.700 0.171 0.000 2.782 270 N HA -0.247 4.494 4.740 0.001 0.000 0.251 270 N C -0.274 175.263 175.510 0.045 0.000 1.101 270 N CA 0.738 53.842 53.050 0.090 0.000 0.764 270 N CB -1.242 37.285 38.487 0.066 0.000 1.122 270 N HN 0.792 nan 8.380 nan 0.000 0.561 271 Y N 3.125 123.438 120.300 0.022 0.000 2.496 271 Y HA 0.199 4.750 4.550 0.001 0.000 0.334 271 Y C -1.393 174.378 175.900 -0.215 0.000 1.080 271 Y CA -1.142 56.906 58.100 -0.086 0.000 1.355 271 Y CB 0.640 39.087 38.460 -0.022 0.000 1.193 271 Y HN 0.059 nan 8.280 nan 0.000 0.523 272 P HA 0.147 nan 4.420 nan 0.000 0.275 272 P C 0.228 177.396 177.300 -0.221 0.000 1.227 272 P CA -0.154 62.635 63.100 -0.518 0.000 0.781 272 P CB 1.617 32.801 31.700 -0.861 0.000 0.906 273 G N 0.944 109.694 108.800 -0.084 0.000 2.838 273 G HA2 0.022 3.982 3.960 0.001 0.000 0.210 273 G HA3 0.022 3.982 3.960 0.001 0.000 0.210 273 G C 0.269 175.158 174.900 -0.019 0.000 1.153 273 G CA 0.285 45.389 45.100 0.008 0.000 0.778 273 G HN 0.569 nan 8.290 nan 0.000 0.539 274 D N -1.450 118.904 120.400 -0.077 0.000 2.825 274 D HA 0.269 4.909 4.640 0.001 0.000 0.327 274 D C -0.374 175.871 176.300 -0.092 0.000 1.277 274 D CA -0.781 53.188 54.000 -0.051 0.000 0.950 274 D CB 0.516 41.292 40.800 -0.041 0.000 1.438 274 D HN -0.149 nan 8.370 nan 0.000 0.526 275 L N 2.026 123.217 121.223 -0.053 0.000 2.615 275 L HA 0.125 4.465 4.340 0.001 0.000 0.271 275 L C -1.247 175.530 176.870 -0.156 0.000 1.183 275 L CA -0.704 54.099 54.840 -0.061 0.000 0.933 275 L CB 0.152 42.193 42.059 -0.030 0.000 1.199 275 L HN 0.340 nan 8.230 nan 0.000 0.487 276 P HA 0.049 nan 4.420 nan 0.000 0.222 276 P C 0.994 178.013 177.300 -0.468 0.000 1.157 276 P CA 0.834 63.625 63.100 -0.515 0.000 0.816 276 P CB 0.439 31.527 31.700 -1.020 0.000 0.813 277 G N -1.846 106.753 108.800 -0.335 0.000 2.159 277 G HA2 -0.172 3.788 3.960 0.001 0.000 0.227 277 G HA3 -0.172 3.788 3.960 0.001 0.000 0.227 277 G C -0.172 174.756 174.900 0.045 0.000 0.986 277 G CA 0.049 45.089 45.100 -0.100 0.000 0.651 277 G HN 0.475 nan 8.290 nan 0.000 0.523 278 Y N -2.250 118.170 120.300 0.200 0.000 2.638 278 Y HA 0.835 5.386 4.550 0.001 0.000 0.335 278 Y C -0.255 175.866 175.900 0.368 0.000 1.155 278 Y CA -2.104 56.168 58.100 0.288 0.000 1.046 278 Y CB 0.494 39.199 38.460 0.408 0.000 1.303 278 Y HN 0.128 nan 8.280 nan 0.000 0.460 279 K N 2.686 123.439 120.400 0.589 0.000 2.270 279 K HA 0.405 4.726 4.320 0.001 0.000 0.276 279 K C -1.036 176.013 176.600 0.747 0.000 1.023 279 K CA -0.254 56.343 56.287 0.516 0.000 0.955 279 K CB 0.375 33.123 32.500 0.413 0.000 0.975 279 K HN 0.799 nan 8.250 nan 0.000 0.471 280 W N 1.789 123.296 121.300 0.346 0.000 3.003 280 W HA 0.584 5.245 4.660 0.001 0.000 0.362 280 W C -1.431 175.285 176.519 0.329 0.000 1.213 280 W CA -0.819 56.750 57.345 0.374 0.000 1.157 280 W CB 0.624 30.244 29.460 0.267 0.000 1.493 280 W HN 0.644 nan 8.180 nan 0.000 0.589 281 E N 1.012 121.482 120.200 0.449 0.000 2.304 281 E HA 0.403 4.753 4.350 0.001 0.000 0.277 281 E C -2.324 174.560 176.600 0.473 0.000 0.898 281 E CA -0.616 55.915 56.400 0.218 0.000 0.764 281 E CB 2.691 32.633 29.700 0.404 0.000 1.216 281 E HN 0.280 nan 8.360 nan 0.000 0.419 282 F N 3.146 123.158 119.950 0.103 0.000 2.408 282 F HA 0.536 5.063 4.527 0.001 0.000 0.344 282 F C -0.495 175.449 175.800 0.240 0.000 1.112 282 F CA -0.057 58.122 58.000 0.299 0.000 1.096 282 F CB 1.779 40.947 39.000 0.281 0.000 1.129 282 F HN 0.316 nan 8.300 nan 0.000 0.486 283 T N 6.562 120.899 114.554 -0.362 0.000 2.909 283 T HA 0.818 5.168 4.350 0.001 0.000 0.299 283 T C -1.270 173.025 174.700 -0.675 0.000 1.073 283 T CA -0.620 61.278 62.100 -0.336 0.000 0.999 283 T CB 1.089 70.070 68.868 0.187 0.000 1.098 283 T HN 0.970 nan 8.240 nan 0.000 0.477 284 R N 1.146 121.304 120.500 -0.570 0.000 2.765 284 R HA 0.632 4.973 4.340 0.001 0.000 0.277 284 R C -0.375 175.499 176.300 -0.710 0.000 1.028 284 R CA -1.233 54.312 56.100 -0.925 0.000 0.860 284 R CB 0.203 29.687 30.300 -1.360 0.000 1.270 284 R HN 0.794 nan 8.270 nan 0.000 0.484 285 G N 0.464 108.735 108.800 -0.881 0.000 2.507 285 G HA2 0.369 4.330 3.960 0.001 0.000 0.271 285 G HA3 0.369 4.330 3.960 0.001 0.000 0.271 285 G C 0.685 175.413 174.900 -0.288 0.000 1.189 285 G CA -1.024 43.723 45.100 -0.588 0.000 0.859 285 G HN 0.567 nan 8.290 nan 0.000 0.542 286 I N 0.852 121.307 120.570 -0.192 0.000 2.361 286 I HA -0.056 4.115 4.170 0.001 0.000 0.251 286 I C 2.108 178.184 176.117 -0.069 0.000 1.133 286 I CA 1.399 62.634 61.300 -0.109 0.000 1.413 286 I CB -0.178 37.778 38.000 -0.074 0.000 1.073 286 I HN 0.551 nan 8.210 nan 0.000 0.424 287 G N -0.255 108.502 108.800 -0.073 0.000 2.945 287 G HA2 0.414 4.375 3.960 0.001 0.000 0.156 287 G HA3 0.414 4.375 3.960 0.001 0.000 0.156 287 G C 0.441 175.353 174.900 0.020 0.000 1.375 287 G CA -0.463 44.627 45.100 -0.017 0.000 1.039 287 G HN 0.097 nan 8.290 nan 0.000 0.586 288 L N 0.082 121.296 121.223 -0.015 0.000 2.640 288 L HA 0.314 4.654 4.340 0.001 0.000 0.230 288 L C 1.102 177.950 176.870 -0.036 0.000 1.123 288 L CA 0.151 54.978 54.840 -0.022 0.000 0.900 288 L CB 0.603 42.607 42.059 -0.092 0.000 1.146 288 L HN 0.327 nan 8.230 nan 0.000 0.484 289 S N -1.660 113.961 115.700 -0.133 0.000 2.677 289 S HA 0.536 5.006 4.470 0.001 0.000 0.304 289 S C 0.212 174.537 174.600 -0.459 0.000 1.108 289 S CA -0.519 57.584 58.200 -0.161 0.000 0.944 289 S CB 1.268 64.408 63.200 -0.101 0.000 1.127 289 S HN 0.056 nan 8.310 nan 0.000 0.511 290 F N 1.243 120.953 119.950 -0.401 0.000 2.419 290 F HA 0.364 4.891 4.527 0.001 0.000 0.283 290 F C 1.811 177.454 175.800 -0.261 0.000 1.044 290 F CA 0.375 58.050 58.000 -0.541 0.000 1.376 290 F CB -0.649 37.629 39.000 -1.204 0.000 1.131 290 F HN 0.670 nan 8.300 nan 0.000 0.585 291 G N -0.894 107.928 108.800 0.037 0.000 2.503 291 G HA2 0.111 4.071 3.960 0.001 0.000 0.257 291 G HA3 0.111 4.071 3.960 0.001 0.000 0.257 291 G C -1.165 173.849 174.900 0.189 0.000 1.214 291 G CA -0.326 44.903 45.100 0.216 0.000 0.839 291 G HN 0.125 nan 8.290 nan 0.000 0.559 292 Y N 1.677 122.053 120.300 0.126 0.000 2.810 292 Y HA 0.069 4.620 4.550 0.001 0.000 0.332 292 Y C 0.090 176.014 175.900 0.041 0.000 1.243 292 Y CA -0.186 57.954 58.100 0.066 0.000 1.537 292 Y CB 0.469 38.986 38.460 0.094 0.000 1.265 292 Y HN 0.463 nan 8.280 nan 0.000 0.572 293 N N 5.574 123.969 118.700 -0.508 0.000 2.540 293 N HA 0.185 4.926 4.740 0.001 0.000 0.275 293 N C 0.471 175.525 175.510 -0.759 0.000 1.053 293 N CA -0.761 51.918 53.050 -0.619 0.000 0.876 293 N CB 0.764 39.023 38.487 -0.379 0.000 1.284 293 N HN 0.785 nan 8.380 nan 0.000 0.518 294 R N 2.349 122.303 120.500 -0.911 0.000 2.241 294 R HA -0.007 4.334 4.340 0.001 0.000 0.224 294 R C -0.179 175.997 176.300 -0.207 0.000 1.101 294 R CA 0.823 56.673 56.100 -0.418 0.000 0.995 294 R CB -0.121 30.088 30.300 -0.153 0.000 0.870 294 R HN 0.309 nan 8.270 nan 0.000 0.463 295 N N 1.147 119.645 118.700 -0.337 0.000 2.463 295 N HA -0.001 4.739 4.740 0.001 0.000 0.181 295 N C -0.349 175.015 175.510 -0.243 0.000 1.078 295 N CA 0.459 53.321 53.050 -0.313 0.000 0.902 295 N CB 0.225 38.367 38.487 -0.575 0.000 0.970 295 N HN 0.459 nan 8.380 nan 0.000 0.451 296 E N -0.105 119.966 120.200 -0.216 0.000 2.283 296 E HA 0.419 4.770 4.350 0.001 0.000 0.278 296 E C 0.428 177.117 176.600 0.149 0.000 1.027 296 E CA -0.428 55.938 56.400 -0.056 0.000 0.843 296 E CB 1.266 30.904 29.700 -0.102 0.000 1.062 296 E HN 0.135 nan 8.360 nan 0.000 0.401 297 G N 2.123 111.140 108.800 0.361 0.000 2.887 297 G HA2 0.257 4.218 3.960 0.001 0.000 0.277 297 G HA3 0.257 4.218 3.960 0.001 0.000 0.277 297 G C -1.868 173.061 174.900 0.048 0.000 1.346 297 G CA -1.014 44.156 45.100 0.117 0.000 1.058 297 G HN 0.319 nan 8.290 nan 0.000 0.535 298 P HA -0.023 nan 4.420 nan 0.000 0.226 298 P C 0.775 178.021 177.300 -0.089 0.000 1.153 298 P CA 0.947 64.027 63.100 -0.032 0.000 0.777 298 P CB 0.299 31.982 31.700 -0.028 0.000 0.794 299 E N -0.690 119.393 120.200 -0.195 0.000 2.265 299 E HA -0.172 4.179 4.350 0.001 0.000 0.196 299 E C 1.669 178.067 176.600 -0.337 0.000 0.996 299 E CA 1.097 57.317 56.400 -0.301 0.000 0.832 299 E CB -1.048 28.371 29.700 -0.469 0.000 0.756 299 E HN 0.530 nan 8.360 nan 0.000 0.491 300 H N -0.947 118.100 119.070 -0.038 0.000 2.575 300 H HA 0.303 4.859 4.556 0.001 0.000 0.267 300 H C 0.486 175.795 175.328 -0.032 0.000 0.966 300 H CA 0.286 56.309 56.048 -0.042 0.000 1.165 300 H CB 0.160 29.882 29.762 -0.067 0.000 1.433 300 H HN 0.193 nan 8.280 nan 0.000 0.544 301 M N 0.660 120.289 119.600 0.048 0.000 2.654 301 M HA 0.325 4.805 4.480 0.001 0.000 0.310 301 M C -0.165 176.127 176.300 -0.013 0.000 1.211 301 M CA -0.804 54.507 55.300 0.018 0.000 0.947 301 M CB 2.317 34.919 32.600 0.005 0.000 1.647 301 M HN -0.144 nan 8.290 nan 0.000 0.481 302 L N 1.218 122.424 121.223 -0.028 0.000 2.371 302 L HA 0.270 4.610 4.340 0.001 0.000 0.272 302 L C 0.544 177.369 176.870 -0.076 0.000 1.124 302 L CA -0.396 54.411 54.840 -0.055 0.000 0.816 302 L CB 1.222 43.239 42.059 -0.071 0.000 1.129 302 L HN 0.846 nan 8.230 nan 0.000 0.448 303 S N 1.415 117.055 115.700 -0.099 0.000 2.645 303 S HA 0.204 4.674 4.470 0.001 0.000 0.266 303 S C 1.147 175.652 174.600 -0.159 0.000 1.258 303 S CA -0.982 57.151 58.200 -0.111 0.000 0.990 303 S CB 1.548 64.679 63.200 -0.114 0.000 0.967 303 S HN 0.330 nan 8.310 nan 0.000 0.556 304 V N 1.449 121.275 119.914 -0.147 0.000 2.324 304 V HA -0.192 3.929 4.120 0.001 0.000 0.250 304 V C 2.614 178.517 176.094 -0.318 0.000 1.060 304 V CA 2.421 64.613 62.300 -0.179 0.000 1.042 304 V CB -1.368 30.390 31.823 -0.108 0.000 0.650 304 V HN 0.863 nan 8.190 nan 0.000 0.450 305 E N 0.003 119.986 120.200 -0.362 0.000 2.058 305 E HA -0.244 4.107 4.350 0.001 0.000 0.194 305 E C 2.309 178.335 176.600 -0.957 0.000 0.997 305 E CA 1.446 57.453 56.400 -0.655 0.000 0.801 305 E CB -0.327 29.060 29.700 -0.523 0.000 0.746 305 E HN 0.677 nan 8.360 nan 0.000 0.450 306 Q N -0.117 119.344 119.800 -0.564 0.000 2.170 306 Q HA -0.082 4.259 4.340 0.001 0.000 0.203 306 Q C 2.230 178.035 176.000 -0.324 0.000 0.976 306 Q CA 0.806 56.376 55.803 -0.389 0.000 0.858 306 Q CB -0.089 28.544 28.738 -0.175 0.000 0.907 306 Q HN 0.301 nan 8.270 nan 0.000 0.433 307 L N -0.201 120.826 121.223 -0.325 0.000 2.056 307 L HA -0.173 4.167 4.340 0.001 0.000 0.207 307 L C 2.320 178.947 176.870 -0.405 0.000 1.078 307 L CA 0.764 55.430 54.840 -0.290 0.000 0.749 307 L CB -0.433 41.470 42.059 -0.261 0.000 0.901 307 L HN 0.115 nan 8.230 nan 0.000 0.433 308 V N -0.647 118.918 119.914 -0.581 0.000 2.255 308 V HA -0.353 3.767 4.120 0.001 0.000 0.247 308 V C 2.199 177.942 176.094 -0.586 0.000 1.051 308 V CA 1.974 63.767 62.300 -0.845 0.000 1.018 308 V CB -0.780 30.314 31.823 -1.216 0.000 0.641 308 V HN 0.367 nan 8.190 nan 0.000 0.445 309 Y N 0.264 120.290 120.300 -0.456 0.000 2.207 309 Y HA -0.260 4.290 4.550 0.001 0.000 0.287 309 Y C 2.846 178.593 175.900 -0.255 0.000 1.156 309 Y CA 1.190 59.093 58.100 -0.329 0.000 1.182 309 Y CB -0.645 37.676 38.460 -0.231 0.000 0.979 309 Y HN 0.255 nan 8.280 nan 0.000 0.521 310 T N 0.728 115.231 114.554 -0.084 0.000 2.701 310 T HA -0.192 4.158 4.350 0.001 0.000 0.263 310 T C 1.868 176.519 174.700 -0.081 0.000 1.040 310 T CA 1.245 63.306 62.100 -0.064 0.000 1.147 310 T CB -0.599 68.257 68.868 -0.021 0.000 0.865 310 T HN 0.145 nan 8.240 nan 0.000 0.426 311 L N 1.552 122.666 121.223 -0.182 0.000 1.990 311 L HA -0.097 4.243 4.340 0.001 0.000 0.213 311 L C 2.462 179.225 176.870 -0.179 0.000 1.072 311 L CA 1.681 56.391 54.840 -0.217 0.000 0.755 311 L CB -0.930 40.904 42.059 -0.375 0.000 0.889 311 L HN 0.096 nan 8.230 nan 0.000 0.432 312 V N -0.166 119.618 119.914 -0.217 0.000 2.287 312 V HA -0.332 3.788 4.120 0.001 0.000 0.248 312 V C 2.352 178.399 176.094 -0.078 0.000 1.053 312 V CA 2.047 64.258 62.300 -0.148 0.000 1.027 312 V CB -0.872 30.847 31.823 -0.173 0.000 0.646 312 V HN 0.583 nan 8.190 nan 0.000 0.447 313 D N -0.117 120.250 120.400 -0.055 0.000 2.092 313 D HA -0.169 4.472 4.640 0.001 0.000 0.193 313 D C 2.044 178.387 176.300 0.072 0.000 0.994 313 D CA 1.669 55.677 54.000 0.014 0.000 0.828 313 D CB -0.100 40.721 40.800 0.035 0.000 0.963 313 D HN 0.179 nan 8.370 nan 0.000 0.450 314 V N -0.131 119.810 119.914 0.046 0.000 2.255 314 V HA -0.254 3.867 4.120 0.001 0.000 0.247 314 V C 2.588 178.615 176.094 -0.112 0.000 1.051 314 V CA 1.566 63.847 62.300 -0.030 0.000 1.018 314 V CB -0.550 31.206 31.823 -0.113 0.000 0.641 314 V HN 0.188 nan 8.190 nan 0.000 0.445 315 V N 0.996 120.846 119.914 -0.106 0.000 2.407 315 V HA -0.226 3.895 4.120 0.001 0.000 0.248 315 V C 2.681 178.771 176.094 -0.006 0.000 1.055 315 V CA 2.199 64.443 62.300 -0.094 0.000 1.049 315 V CB -0.808 30.960 31.823 -0.092 0.000 0.662 315 V HN 0.791 nan 8.190 nan 0.000 0.455 316 S N -0.020 115.701 115.700 0.035 0.000 2.423 316 S HA -0.174 4.297 4.470 0.001 0.000 0.231 316 S C 1.685 176.368 174.600 0.138 0.000 1.014 316 S CA 1.097 59.357 58.200 0.100 0.000 0.965 316 S CB -0.387 62.867 63.200 0.089 0.000 0.785 316 S HN 0.652 nan 8.310 nan 0.000 0.495 317 K N 0.711 121.204 120.400 0.156 0.000 2.417 317 K HA 0.310 4.631 4.320 0.001 0.000 0.196 317 K C 1.139 177.939 176.600 0.333 0.000 1.023 317 K CA 0.331 56.765 56.287 0.245 0.000 1.122 317 K CB -0.021 32.687 32.500 0.346 0.000 0.850 317 K HN 0.541 nan 8.250 nan 0.000 0.521 318 G N 0.828 109.717 108.800 0.148 0.000 2.179 318 G HA2 -0.245 3.715 3.960 0.001 0.000 0.260 318 G HA3 -0.245 3.715 3.960 0.001 0.000 0.260 318 G C 0.396 175.168 174.900 -0.213 0.000 0.977 318 G CA -0.080 45.060 45.100 0.066 0.000 0.641 318 G HN 0.509 nan 8.290 nan 0.000 0.533 319 G N -0.788 107.650 108.800 -0.604 0.000 2.537 319 G HA2 0.582 4.542 3.960 0.001 0.000 0.297 319 G HA3 0.582 4.542 3.960 0.001 0.000 0.297 319 G C -0.446 174.058 174.900 -0.661 0.000 1.310 319 G CA -0.426 43.907 45.100 -1.279 0.000 1.027 319 G HN 0.289 nan 8.290 nan 0.000 0.505 320 N N -1.471 116.879 118.700 -0.584 0.000 2.292 320 N HA 0.490 5.230 4.740 0.001 0.000 0.303 320 N C -1.198 174.203 175.510 -0.183 0.000 1.140 320 N CA -0.628 52.230 53.050 -0.320 0.000 0.788 320 N CB 2.182 40.436 38.487 -0.388 0.000 1.361 320 N HN 0.370 nan 8.380 nan 0.000 0.489 321 L N 1.681 122.885 121.223 -0.031 0.000 2.275 321 L HA 0.549 4.889 4.340 0.001 0.000 0.288 321 L C -1.167 175.754 176.870 0.084 0.000 1.046 321 L CA -0.559 54.333 54.840 0.087 0.000 0.805 321 L CB 0.682 42.797 42.059 0.092 0.000 1.193 321 L HN 0.437 nan 8.230 nan 0.000 0.426 322 L N 6.372 127.601 121.223 0.011 0.000 2.371 322 L HA 0.460 4.801 4.340 0.001 0.000 0.262 322 L C -1.028 175.793 176.870 -0.082 0.000 1.054 322 L CA -0.349 54.411 54.840 -0.134 0.000 0.924 322 L CB 0.767 42.691 42.059 -0.224 0.000 1.295 322 L HN 0.687 nan 8.230 nan 0.000 0.441 323 L N 4.046 125.272 121.223 0.004 0.000 2.360 323 L HA 0.362 4.703 4.340 0.001 0.000 0.276 323 L C 0.047 176.908 176.870 -0.014 0.000 1.121 323 L CA 0.386 55.234 54.840 0.014 0.000 0.845 323 L CB 0.668 42.823 42.059 0.160 0.000 1.143 323 L HN 0.725 nan 8.230 nan 0.000 0.452 324 N N 3.240 121.925 118.700 -0.025 0.000 2.479 324 N HA 0.494 5.234 4.740 0.001 0.000 0.285 324 N C -1.392 174.050 175.510 -0.112 0.000 1.075 324 N CA -0.446 52.598 53.050 -0.010 0.000 0.967 324 N CB 1.206 39.674 38.487 -0.031 0.000 1.137 324 N HN 0.411 nan 8.380 nan 0.000 0.472 325 V N 1.605 121.449 119.914 -0.117 0.000 2.495 325 V HA 0.660 4.780 4.120 0.001 0.000 0.298 325 V C 0.422 176.450 176.094 -0.111 0.000 1.031 325 V CA -0.777 61.434 62.300 -0.147 0.000 0.871 325 V CB 1.633 33.310 31.823 -0.244 0.000 0.988 325 V HN 0.837 nan 8.190 nan 0.000 0.432 326 G N 5.611 114.373 108.800 -0.063 0.000 2.955 326 G HA2 0.619 4.580 3.960 0.001 0.000 0.336 326 G HA3 0.619 4.580 3.960 0.001 0.000 0.336 326 G C -2.933 171.976 174.900 0.014 0.000 1.264 326 G CA -1.349 43.777 45.100 0.044 0.000 1.096 326 G HN 0.497 nan 8.290 nan 0.000 0.486 327 P HA 0.182 nan 4.420 nan 0.000 0.272 327 P C 0.215 177.525 177.300 0.017 0.000 1.240 327 P CA -0.226 62.769 63.100 -0.175 0.000 0.791 327 P CB 1.148 32.548 31.700 -0.499 0.000 0.978 328 K N 0.209 120.572 120.400 -0.062 0.000 2.102 328 K HA 0.298 4.618 4.320 0.001 0.000 0.244 328 K C 1.893 178.740 176.600 0.412 0.000 1.021 328 K CA -0.174 56.089 56.287 -0.041 0.000 0.913 328 K CB -0.052 32.331 32.500 -0.194 0.000 1.062 328 K HN 0.500 nan 8.250 nan 0.000 0.485 329 G N 1.120 110.118 108.800 0.331 0.000 2.450 329 G HA2 -0.264 3.696 3.960 0.001 0.000 0.220 329 G HA3 -0.264 3.696 3.960 0.001 0.000 0.220 329 G C 0.827 176.032 174.900 0.508 0.000 1.130 329 G CA 1.277 46.628 45.100 0.419 0.000 0.760 329 G HN 0.821 nan 8.290 nan 0.000 0.557 330 D N -0.952 119.661 120.400 0.354 0.000 2.349 330 D HA 0.246 4.886 4.640 0.001 0.000 0.224 330 D C 1.677 178.203 176.300 0.378 0.000 1.029 330 D CA 0.595 54.769 54.000 0.290 0.000 0.879 330 D CB -0.521 40.393 40.800 0.190 0.000 0.906 330 D HN 0.480 nan 8.370 nan 0.000 0.528 331 G N -0.092 109.044 108.800 0.559 0.000 2.141 331 G HA2 -0.248 3.713 3.960 0.001 0.000 0.242 331 G HA3 -0.248 3.713 3.960 0.001 0.000 0.242 331 G C 0.397 175.589 174.900 0.487 0.000 0.982 331 G CA 0.481 45.908 45.100 0.545 0.000 0.662 331 G HN 0.801 nan 8.290 nan 0.000 0.527 332 T N -1.170 113.570 114.554 0.310 0.000 2.928 332 T HA 0.737 5.087 4.350 0.001 0.000 0.284 332 T C 0.317 175.076 174.700 0.098 0.000 1.008 332 T CA -0.861 61.381 62.100 0.236 0.000 1.057 332 T CB 2.311 71.252 68.868 0.121 0.000 1.018 332 T HN 0.424 nan 8.240 nan 0.000 0.493 333 I N 3.151 123.742 120.570 0.035 0.000 2.304 333 I HA 0.296 4.466 4.170 0.001 0.000 0.291 333 I C -2.141 173.925 176.117 -0.084 0.000 1.018 333 I CA -2.625 58.608 61.300 -0.110 0.000 1.260 333 I CB 1.292 39.173 38.000 -0.198 0.000 1.390 333 I HN 0.469 nan 8.210 nan 0.000 0.475 334 P HA -0.038 nan 4.420 nan 0.000 0.261 334 P C 0.120 177.409 177.300 -0.018 0.000 1.173 334 P CA 0.056 63.114 63.100 -0.070 0.000 0.760 334 P CB 0.491 32.161 31.700 -0.050 0.000 0.783 335 D N 2.123 122.524 120.400 0.001 0.000 2.170 335 D HA -0.185 4.456 4.640 0.001 0.000 0.193 335 D C 1.847 178.155 176.300 0.012 0.000 1.004 335 D CA 1.422 55.427 54.000 0.009 0.000 0.860 335 D CB -0.296 40.514 40.800 0.017 0.000 0.931 335 D HN 0.387 nan 8.370 nan 0.000 0.448 336 L N 0.282 121.519 121.223 0.023 0.000 2.079 336 L HA -0.233 4.107 4.340 0.001 0.000 0.210 336 L C 2.513 179.388 176.870 0.009 0.000 1.081 336 L CA 1.294 56.146 54.840 0.021 0.000 0.752 336 L CB -0.336 41.745 42.059 0.037 0.000 0.896 336 L HN 0.098 nan 8.230 nan 0.000 0.433 337 Q N -0.457 119.346 119.800 0.005 0.000 2.096 337 Q HA -0.197 4.144 4.340 0.001 0.000 0.197 337 Q C 2.174 178.172 176.000 -0.004 0.000 0.964 337 Q CA 0.987 56.785 55.803 -0.008 0.000 0.838 337 Q CB -0.035 28.689 28.738 -0.023 0.000 0.906 337 Q HN 0.349 nan 8.270 nan 0.000 0.444 338 K N 1.314 121.711 120.400 -0.006 0.000 2.097 338 K HA -0.206 4.115 4.320 0.001 0.000 0.206 338 K C 1.654 178.263 176.600 0.015 0.000 1.049 338 K CA 1.356 57.644 56.287 0.003 0.000 0.933 338 K CB 0.169 32.665 32.500 -0.007 0.000 0.717 338 K HN 0.158 nan 8.250 nan 0.000 0.442 339 E N -0.172 120.033 120.200 0.009 0.000 2.072 339 E HA -0.139 4.211 4.350 0.001 0.000 0.191 339 E C 2.119 178.724 176.600 0.009 0.000 0.985 339 E CA 1.087 57.493 56.400 0.010 0.000 0.801 339 E CB 0.121 29.824 29.700 0.006 0.000 0.750 339 E HN 0.232 nan 8.360 nan 0.000 0.452 340 R N 0.333 120.833 120.500 -0.001 0.000 2.075 340 R HA -0.079 4.261 4.340 0.001 0.000 0.232 340 R C 2.439 178.743 176.300 0.006 0.000 1.126 340 R CA 0.883 56.974 56.100 -0.014 0.000 0.963 340 R CB -0.297 29.985 30.300 -0.030 0.000 0.858 340 R HN 0.157 nan 8.270 nan 0.000 0.435 341 L N 0.582 121.826 121.223 0.035 0.000 2.012 341 L HA -0.233 4.107 4.340 0.001 0.000 0.210 341 L C 2.347 179.276 176.870 0.099 0.000 1.073 341 L CA 1.382 56.276 54.840 0.090 0.000 0.748 341 L CB -0.420 41.710 42.059 0.118 0.000 0.891 341 L HN 0.231 nan 8.230 nan 0.000 0.431 342 L N -0.849 120.416 121.223 0.071 0.000 2.056 342 L HA -0.130 4.211 4.340 0.001 0.000 0.207 342 L C 2.678 179.591 176.870 0.072 0.000 1.078 342 L CA 1.293 56.176 54.840 0.071 0.000 0.749 342 L CB -1.140 40.948 42.059 0.048 0.000 0.901 342 L HN 0.318 nan 8.230 nan 0.000 0.433 343 G N 0.353 109.183 108.800 0.050 0.000 2.459 343 G HA2 -0.313 3.648 3.960 0.001 0.000 0.217 343 G HA3 -0.313 3.648 3.960 0.001 0.000 0.217 343 G C 1.554 176.503 174.900 0.082 0.000 1.183 343 G CA 0.951 46.081 45.100 0.050 0.000 0.776 343 G HN 0.232 nan 8.290 nan 0.000 0.552 344 L N 1.708 122.958 121.223 0.045 0.000 2.083 344 L HA 0.148 4.489 4.340 0.001 0.000 0.209 344 L C 2.778 179.737 176.870 0.148 0.000 1.083 344 L CA 2.300 57.165 54.840 0.041 0.000 0.752 344 L CB -1.036 40.961 42.059 -0.103 0.000 0.899 344 L HN 0.173 nan 8.230 nan 0.000 0.433 345 G N -1.193 107.700 108.800 0.155 0.000 2.440 345 G HA2 -0.287 3.674 3.960 0.001 0.000 0.218 345 G HA3 -0.287 3.674 3.960 0.001 0.000 0.218 345 G C 1.475 176.474 174.900 0.166 0.000 1.154 345 G CA 0.845 46.059 45.100 0.190 0.000 0.767 345 G HN 0.498 nan 8.290 nan 0.000 0.552 346 E N -0.748 119.538 120.200 0.142 0.000 2.038 346 E HA -0.174 4.176 4.350 0.001 0.000 0.195 346 E C 1.992 178.676 176.600 0.140 0.000 1.000 346 E CA 1.134 57.603 56.400 0.116 0.000 0.803 346 E CB -0.278 29.486 29.700 0.107 0.000 0.750 346 E HN 0.615 nan 8.360 nan 0.000 0.448 347 W N 1.072 122.410 121.300 0.063 0.000 2.338 347 W HA -0.196 4.465 4.660 0.001 0.000 0.304 347 W C 1.678 178.291 176.519 0.157 0.000 1.212 347 W CA 1.425 58.851 57.345 0.136 0.000 1.264 347 W CB -0.210 29.282 29.460 0.054 0.000 1.142 347 W HN 0.024 nan 8.180 nan 0.000 0.512 348 L N 0.265 121.606 121.223 0.197 0.000 2.201 348 L HA -0.159 4.181 4.340 0.001 0.000 0.212 348 L C 2.775 179.648 176.870 0.004 0.000 1.105 348 L CA 1.338 56.209 54.840 0.052 0.000 0.775 348 L CB -0.770 41.419 42.059 0.216 0.000 0.913 348 L HN -0.019 nan 8.230 nan 0.000 0.440 349 R N 0.352 120.861 120.500 0.015 0.000 2.115 349 R HA -0.152 4.189 4.340 0.001 0.000 0.226 349 R C 2.072 178.294 176.300 -0.130 0.000 1.100 349 R CA 1.250 57.344 56.100 -0.009 0.000 0.980 349 R CB 0.163 30.466 30.300 0.005 0.000 0.875 349 R HN 0.282 nan 8.270 nan 0.000 0.445 350 K N -1.245 118.983 120.400 -0.286 0.000 2.099 350 K HA -0.046 4.275 4.320 0.001 0.000 0.203 350 K C 1.099 177.325 176.600 -0.623 0.000 1.047 350 K CA 1.106 57.077 56.287 -0.527 0.000 0.963 350 K CB 0.128 32.150 32.500 -0.797 0.000 0.759 350 K HN 0.156 nan 8.250 nan 0.000 0.451 351 Y N -0.083 119.872 120.300 -0.576 0.000 2.485 351 Y HA 0.241 4.791 4.550 0.001 0.000 0.260 351 Y C 1.878 177.398 175.900 -0.634 0.000 1.173 351 Y CA -0.273 57.378 58.100 -0.749 0.000 1.252 351 Y CB -0.020 37.535 38.460 -1.508 0.000 1.123 351 Y HN 0.096 nan 8.280 nan 0.000 0.524 352 G N 0.440 109.098 108.800 -0.236 0.000 2.503 352 G HA2 -0.393 3.568 3.960 0.001 0.000 0.221 352 G HA3 -0.393 3.568 3.960 0.001 0.000 0.221 352 G C 1.365 176.256 174.900 -0.014 0.000 1.131 352 G CA 1.621 46.680 45.100 -0.068 0.000 0.756 352 G HN 0.400 nan 8.290 nan 0.000 0.572 353 D N 0.528 120.941 120.400 0.023 0.000 2.263 353 D HA 0.092 4.732 4.640 0.001 0.000 0.208 353 D C 2.348 178.397 176.300 -0.418 0.000 0.971 353 D CA 1.105 55.108 54.000 0.005 0.000 0.867 353 D CB -0.248 40.666 40.800 0.190 0.000 0.929 353 D HN 0.283 nan 8.370 nan 0.000 0.492 354 A N -0.637 121.696 122.820 -0.811 0.000 2.275 354 A HA 0.212 4.532 4.320 0.001 0.000 0.212 354 A C 1.501 178.682 177.584 -0.673 0.000 1.201 354 A CA -0.009 51.128 52.037 -1.501 0.000 0.843 354 A CB 0.028 18.145 19.000 -1.471 0.000 0.873 354 A HN 0.230 nan 8.150 nan 0.000 0.492 355 I N -2.330 117.999 120.570 -0.403 0.000 3.674 355 I HA 0.146 4.317 4.170 0.001 0.000 0.248 355 I C 0.234 176.255 176.117 -0.160 0.000 1.134 355 I CA 0.034 61.172 61.300 -0.270 0.000 1.519 355 I CB -1.298 36.490 38.000 -0.353 0.000 1.598 355 I HN 0.249 nan 8.210 nan 0.000 0.442 356 Y N 2.096 122.380 120.300 -0.027 0.000 2.712 356 Y HA 0.280 4.831 4.550 0.001 0.000 0.333 356 Y C 1.687 177.599 175.900 0.019 0.000 1.225 356 Y CA 1.004 59.113 58.100 0.016 0.000 1.499 356 Y CB -0.120 38.363 38.460 0.039 0.000 1.288 356 Y HN 0.533 nan 8.280 nan 0.000 0.575 357 G N 1.173 110.095 108.800 0.202 0.000 2.196 357 G HA2 -0.336 3.624 3.960 0.001 0.000 0.268 357 G HA3 -0.336 3.624 3.960 0.001 0.000 0.268 357 G C 0.277 175.251 174.900 0.124 0.000 0.975 357 G CA 0.477 45.664 45.100 0.145 0.000 0.648 357 G HN 0.937 nan 8.290 nan 0.000 0.538 358 T N -2.026 112.590 114.554 0.105 0.000 2.824 358 T HA 0.742 5.093 4.350 0.001 0.000 0.277 358 T C 0.335 175.100 174.700 0.108 0.000 0.975 358 T CA 0.379 62.556 62.100 0.128 0.000 0.966 358 T CB 2.057 71.001 68.868 0.128 0.000 1.054 358 T HN 0.527 nan 8.240 nan 0.000 0.533 359 S N -0.360 115.420 115.700 0.134 0.000 2.671 359 S HA 0.672 5.143 4.470 0.001 0.000 0.299 359 S C 0.085 174.777 174.600 0.153 0.000 1.116 359 S CA -0.728 57.544 58.200 0.121 0.000 0.912 359 S CB 1.568 64.839 63.200 0.119 0.000 1.130 359 S HN 1.036 nan 8.310 nan 0.000 0.501 360 V N 0.024 120.024 119.914 0.144 0.000 3.003 360 V HA 0.578 4.698 4.120 0.001 0.000 0.305 360 V C -0.136 176.106 176.094 0.247 0.000 1.078 360 V CA -0.368 62.041 62.300 0.183 0.000 1.083 360 V CB 0.447 32.350 31.823 0.134 0.000 1.039 360 V HN 0.895 nan 8.190 nan 0.000 0.481 361 W N 1.161 122.486 121.300 0.042 0.000 2.639 361 W HA 0.487 5.148 4.660 0.001 0.000 0.465 361 W C 1.572 178.066 176.519 -0.043 0.000 1.742 361 W CA -0.417 56.919 57.345 -0.015 0.000 1.798 361 W CB 1.045 30.478 29.460 -0.045 0.000 1.950 361 W HN 0.722 nan 8.180 nan 0.000 0.713 362 E N 0.739 120.443 120.200 -0.826 0.000 2.153 362 E HA -0.126 4.225 4.350 0.001 0.000 0.194 362 E C 0.220 176.548 176.600 -0.454 0.000 0.988 362 E CA 1.129 57.115 56.400 -0.690 0.000 0.811 362 E CB -0.018 29.080 29.700 -1.003 0.000 0.746 362 E HN 0.346 nan 8.360 nan 0.000 0.466 363 R N -0.372 119.865 120.500 -0.438 0.000 2.771 363 R HA 0.370 4.710 4.340 0.001 0.000 0.274 363 R C 0.988 177.401 176.300 0.189 0.000 0.987 363 R CA -0.307 55.714 56.100 -0.133 0.000 0.908 363 R CB 0.709 30.899 30.300 -0.183 0.000 1.213 363 R HN 0.032 nan 8.270 nan 0.000 0.468 364 C N -1.435 118.003 119.300 0.230 0.000 2.512 364 C HA 0.467 4.928 4.460 0.001 0.000 0.276 364 C C 0.476 175.700 174.990 0.390 0.000 1.368 364 C CA -0.175 59.033 59.018 0.315 0.000 1.755 364 C CB -0.905 26.933 27.740 0.164 0.000 2.008 364 C HN 0.639 nan 8.230 nan 0.000 0.511 365 C N 0.670 120.191 119.300 0.369 0.000 3.090 365 C HA 0.937 5.398 4.460 0.001 0.000 0.305 365 C C 0.277 175.436 174.990 0.282 0.000 1.292 365 C CA 0.282 59.422 59.018 0.203 0.000 1.482 365 C CB 0.994 28.779 27.740 0.074 0.000 1.897 365 C HN 0.900 nan 8.230 nan 0.000 0.469 366 A N 1.239 124.082 122.820 0.039 0.000 2.524 366 A HA 1.029 5.350 4.320 0.001 0.000 0.303 366 A C -1.727 175.804 177.584 -0.089 0.000 1.195 366 A CA -0.587 51.480 52.037 0.050 0.000 0.651 366 A CB 1.498 20.601 19.000 0.172 0.000 1.323 366 A HN 1.101 nan 8.150 nan 0.000 0.479 367 K N -0.830 119.532 120.400 -0.063 0.000 2.587 367 K HA 0.619 4.939 4.320 0.001 0.000 0.276 367 K C -0.563 176.019 176.600 -0.029 0.000 0.956 367 K CA -0.076 56.163 56.287 -0.080 0.000 0.857 367 K CB 1.236 33.706 32.500 -0.050 0.000 1.431 367 K HN 1.048 nan 8.250 nan 0.000 0.420 368 T N -1.677 112.875 114.554 -0.004 0.000 2.816 368 T HA 0.132 4.482 4.350 0.001 0.000 0.282 368 T C 1.011 175.736 174.700 0.042 0.000 0.993 368 T CA -0.358 61.776 62.100 0.056 0.000 0.994 368 T CB 1.142 70.080 68.868 0.117 0.000 1.025 368 T HN 0.764 nan 8.240 nan 0.000 0.529 369 E N 0.500 120.732 120.200 0.053 0.000 2.209 369 E HA -0.166 4.185 4.350 0.001 0.000 0.196 369 E C 1.184 177.802 176.600 0.031 0.000 0.993 369 E CA 1.365 57.788 56.400 0.040 0.000 0.819 369 E CB -0.024 29.703 29.700 0.044 0.000 0.745 369 E HN 0.799 nan 8.360 nan 0.000 0.477 370 D N -1.912 118.509 120.400 0.035 0.000 2.358 370 D HA 0.051 4.692 4.640 0.001 0.000 0.224 370 D C 1.042 177.351 176.300 0.015 0.000 1.123 370 D CA 0.609 54.624 54.000 0.025 0.000 0.833 370 D CB 0.849 41.666 40.800 0.028 0.000 0.946 370 D HN 0.254 nan 8.370 nan 0.000 0.505 371 G N 0.654 109.460 108.800 0.010 0.000 2.175 371 G HA2 -0.256 3.705 3.960 0.001 0.000 0.244 371 G HA3 -0.256 3.705 3.960 0.001 0.000 0.244 371 G C 0.407 175.295 174.900 -0.021 0.000 0.982 371 G CA 0.180 45.276 45.100 -0.007 0.000 0.641 371 G HN 0.389 nan 8.290 nan 0.000 0.527 372 T N 2.540 117.092 114.554 -0.004 0.000 2.814 372 T HA 0.445 4.796 4.350 0.001 0.000 0.297 372 T C 0.282 174.937 174.700 -0.075 0.000 0.956 372 T CA -0.092 61.997 62.100 -0.019 0.000 1.123 372 T CB 1.314 70.227 68.868 0.074 0.000 0.902 372 T HN 0.265 nan 8.240 nan 0.000 0.528 373 E N 2.626 122.737 120.200 -0.148 0.000 2.366 373 E HA 0.367 4.717 4.350 0.001 0.000 0.266 373 E C -0.122 176.294 176.600 -0.306 0.000 1.051 373 E CA -0.106 56.171 56.400 -0.205 0.000 0.884 373 E CB 1.291 30.865 29.700 -0.211 0.000 1.006 373 E HN 0.510 nan 8.360 nan 0.000 0.417 374 I N 2.286 122.619 120.570 -0.395 0.000 2.689 374 I HA 0.379 4.549 4.170 0.001 0.000 0.299 374 I C -0.052 175.686 176.117 -0.631 0.000 1.059 374 I CA -0.909 60.007 61.300 -0.639 0.000 1.055 374 I CB 1.657 39.116 38.000 -0.901 0.000 1.243 374 I HN 0.064 nan 8.210 nan 0.000 0.425 375 R N 4.117 124.217 120.500 -0.667 0.000 2.744 375 R HA 0.651 4.991 4.340 0.001 0.000 0.279 375 R C -1.581 174.383 176.300 -0.561 0.000 0.977 375 R CA -0.880 54.934 56.100 -0.476 0.000 0.906 375 R CB 2.000 32.172 30.300 -0.214 0.000 1.197 375 R HN 0.367 nan 8.270 nan 0.000 0.463 376 F N -0.225 119.740 119.950 0.025 0.000 2.546 376 F HA 0.605 5.132 4.527 0.001 0.000 0.320 376 F C 0.870 176.726 175.800 0.093 0.000 1.076 376 F CA -0.631 57.390 58.000 0.035 0.000 0.928 376 F CB 2.286 41.364 39.000 0.130 0.000 1.189 376 F HN 0.490 nan 8.300 nan 0.000 0.465 377 T N -0.554 114.175 114.554 0.291 0.000 2.865 377 T HA 0.774 5.125 4.350 0.001 0.000 0.294 377 T C -1.138 173.731 174.700 0.281 0.000 1.119 377 T CA -1.052 61.213 62.100 0.274 0.000 1.007 377 T CB 2.639 71.632 68.868 0.209 0.000 1.225 377 T HN 0.855 nan 8.240 nan 0.000 0.515 378 R N -0.239 120.426 120.500 0.274 0.000 2.740 378 R HA 0.662 5.002 4.340 0.001 0.000 0.273 378 R C -1.782 174.655 176.300 0.228 0.000 0.998 378 R CA -0.878 55.319 56.100 0.162 0.000 0.900 378 R CB 1.729 32.114 30.300 0.141 0.000 1.223 378 R HN 0.744 nan 8.270 nan 0.000 0.466 379 K N 3.253 123.739 120.400 0.143 0.000 2.740 379 K HA 0.272 4.593 4.320 0.001 0.000 0.246 379 K C -0.551 176.087 176.600 0.064 0.000 1.021 379 K CA -0.553 55.837 56.287 0.171 0.000 1.021 379 K CB 0.938 33.631 32.500 0.321 0.000 1.233 379 K HN 0.872 nan 8.250 nan 0.000 0.497 380 C N 1.029 120.368 119.300 0.065 0.000 1.976 380 C HA -0.350 4.111 4.460 0.001 0.000 0.111 380 C C 1.847 176.843 174.990 0.011 0.000 0.830 380 C CA 1.789 60.832 59.018 0.042 0.000 0.873 380 C CB -1.446 26.318 27.740 0.040 0.000 3.215 380 C HN 1.058 nan 8.230 nan 0.000 1.057 381 N N 1.603 120.294 118.700 -0.015 0.000 2.422 381 N HA 0.118 4.858 4.740 0.001 0.000 0.181 381 N C 0.200 175.635 175.510 -0.125 0.000 1.080 381 N CA 0.430 53.456 53.050 -0.040 0.000 0.893 381 N CB -0.157 38.318 38.487 -0.021 0.000 0.973 381 N HN 0.692 nan 8.380 nan 0.000 0.456 382 R N 0.719 121.108 120.500 -0.186 0.000 2.308 382 R HA 0.413 4.753 4.340 0.001 0.000 0.305 382 R C -0.499 175.448 176.300 -0.588 0.000 1.053 382 R CA -0.307 55.557 56.100 -0.392 0.000 0.957 382 R CB 1.186 31.218 30.300 -0.447 0.000 1.022 382 R HN 0.146 nan 8.270 nan 0.000 0.461 383 I N 3.738 123.905 120.570 -0.672 0.000 2.389 383 I HA 0.290 4.460 4.170 0.001 0.000 0.288 383 I C -0.626 175.096 176.117 -0.658 0.000 0.999 383 I CA -0.654 60.221 61.300 -0.709 0.000 1.129 383 I CB 1.098 38.587 38.000 -0.851 0.000 1.288 383 I HN 0.383 nan 8.210 nan 0.000 0.444 384 F N 5.483 125.341 119.950 -0.152 0.000 2.408 384 F HA 0.433 4.960 4.527 0.001 0.000 0.344 384 F C 0.168 175.915 175.800 -0.088 0.000 1.112 384 F CA -0.873 57.064 58.000 -0.105 0.000 1.096 384 F CB 1.455 40.380 39.000 -0.125 0.000 1.129 384 F HN 0.037 nan 8.300 nan 0.000 0.486 385 V N 5.679 125.636 119.914 0.072 0.000 2.313 385 V HA 0.353 4.473 4.120 0.001 0.000 0.278 385 V C -0.053 176.006 176.094 -0.058 0.000 1.017 385 V CA -0.580 61.675 62.300 -0.075 0.000 0.823 385 V CB 0.989 32.801 31.823 -0.018 0.000 1.010 385 V HN 0.553 nan 8.190 nan 0.000 0.443 386 I N 5.569 126.010 120.570 -0.214 0.000 2.354 386 I HA 0.426 4.597 4.170 0.001 0.000 0.286 386 I C -0.574 175.438 176.117 -0.175 0.000 1.007 386 I CA -0.268 60.971 61.300 -0.101 0.000 1.167 386 I CB 1.071 39.010 38.000 -0.102 0.000 1.320 386 I HN 0.356 nan 8.210 nan 0.000 0.458 387 F N 5.879 125.719 119.950 -0.184 0.000 2.412 387 F HA 0.293 4.821 4.527 0.001 0.000 0.348 387 F C 0.653 176.309 175.800 -0.239 0.000 1.102 387 F CA -0.579 57.303 58.000 -0.196 0.000 1.196 387 F CB 0.747 39.672 39.000 -0.126 0.000 1.144 387 F HN 0.253 nan 8.300 nan 0.000 0.541 388 L N 4.173 125.272 121.223 -0.208 0.000 2.423 388 L HA 0.497 4.837 4.340 0.001 0.000 0.249 388 L C 0.562 177.116 176.870 -0.527 0.000 1.276 388 L CA -0.204 54.271 54.840 -0.608 0.000 1.199 388 L CB -1.194 40.341 42.059 -0.874 0.000 1.407 388 L HN 0.900 nan 8.230 nan 0.000 0.410 389 G N 1.617 110.358 108.800 -0.098 0.000 2.359 389 G HA2 0.100 4.060 3.960 0.001 0.000 0.303 389 G HA3 0.100 4.060 3.960 0.001 0.000 0.303 389 G C -1.343 173.589 174.900 0.052 0.000 1.293 389 G CA -0.954 44.176 45.100 0.049 0.000 0.964 389 G HN 0.128 nan 8.290 nan 0.000 0.531 390 I N 1.689 122.280 120.570 0.036 0.000 2.411 390 I HA 0.343 4.514 4.170 0.001 0.000 0.284 390 I C -2.155 173.942 176.117 -0.034 0.000 1.012 390 I CA -1.793 59.498 61.300 -0.015 0.000 1.119 390 I CB 2.113 40.124 38.000 0.019 0.000 1.261 390 I HN 0.220 nan 8.210 nan 0.000 0.448 391 P HA 0.099 nan 4.420 nan 0.000 0.269 391 P C 0.923 178.198 177.300 -0.040 0.000 1.215 391 P CA -0.222 62.843 63.100 -0.057 0.000 0.780 391 P CB 0.637 32.282 31.700 -0.093 0.000 0.898 392 T N -1.449 113.095 114.554 -0.017 0.000 2.809 392 T HA 0.087 4.437 4.350 0.001 0.000 0.260 392 T C 1.092 175.785 174.700 -0.013 0.000 1.039 392 T CA 0.593 62.688 62.100 -0.010 0.000 1.141 392 T CB -0.870 67.997 68.868 -0.000 0.000 0.869 392 T HN 0.487 nan 8.240 nan 0.000 0.437 393 G N 0.547 109.341 108.800 -0.010 0.000 2.448 393 G HA2 0.409 4.369 3.960 0.001 0.000 0.285 393 G HA3 0.409 4.369 3.960 0.001 0.000 0.285 393 G C 0.285 175.177 174.900 -0.014 0.000 1.176 393 G CA -0.627 44.469 45.100 -0.006 0.000 0.852 393 G HN 0.432 nan 8.290 nan 0.000 0.530 394 E N 0.023 120.218 120.200 -0.009 0.000 2.274 394 E HA -0.054 4.297 4.350 0.001 0.000 0.194 394 E C 0.922 177.525 176.600 0.005 0.000 0.996 394 E CA 0.480 56.874 56.400 -0.010 0.000 0.840 394 E CB 0.250 29.947 29.700 -0.006 0.000 0.772 394 E HN 0.369 nan 8.360 nan 0.000 0.491 395 K N 1.704 122.113 120.400 0.015 0.000 2.248 395 K HA 0.302 4.622 4.320 0.001 0.000 0.281 395 K C -0.973 175.652 176.600 0.042 0.000 1.054 395 K CA -0.140 56.166 56.287 0.032 0.000 0.903 395 K CB 0.567 33.087 32.500 0.033 0.000 1.077 395 K HN -0.070 nan 8.250 nan 0.000 0.474 396 I N 4.493 125.102 120.570 0.065 0.000 2.436 396 I HA 0.215 4.386 4.170 0.001 0.000 0.289 396 I C -0.819 175.375 176.117 0.128 0.000 1.010 396 I CA -1.124 60.235 61.300 0.099 0.000 1.098 396 I CB 2.143 40.212 38.000 0.115 0.000 1.266 396 I HN 0.240 nan 8.210 nan 0.000 0.434 397 V N 7.539 127.526 119.914 0.121 0.000 2.326 397 V HA 0.407 4.528 4.120 0.001 0.000 0.281 397 V C 0.107 176.272 176.094 0.118 0.000 1.015 397 V CA -0.429 61.938 62.300 0.112 0.000 0.823 397 V CB 1.366 33.237 31.823 0.080 0.000 1.009 397 V HN 0.468 nan 8.190 nan 0.000 0.436 398 I N 4.272 124.919 120.570 0.129 0.000 2.325 398 I HA 0.305 4.476 4.170 0.001 0.000 0.291 398 I C 0.666 176.839 176.117 0.092 0.000 1.019 398 I CA -0.291 61.072 61.300 0.104 0.000 1.302 398 I CB 0.904 38.971 38.000 0.113 0.000 1.401 398 I HN 0.581 nan 8.210 nan 0.000 0.485 399 E N 5.537 125.779 120.200 0.070 0.000 2.360 399 E HA 0.042 4.392 4.350 0.001 0.000 0.269 399 E C -0.618 176.024 176.600 0.070 0.000 1.022 399 E CA -0.217 56.220 56.400 0.062 0.000 0.887 399 E CB 0.399 30.125 29.700 0.043 0.000 0.990 399 E HN 0.507 nan 8.360 nan 0.000 0.426 400 D N 1.136 121.572 120.400 0.060 0.000 2.723 400 D HA -0.203 4.438 4.640 0.001 0.000 0.236 400 D C -0.986 175.354 176.300 0.068 0.000 1.138 400 D CA 0.805 54.837 54.000 0.053 0.000 0.676 400 D CB -1.116 39.709 40.800 0.040 0.000 1.069 400 D HN 0.134 nan 8.370 nan 0.000 0.430 401 L N -0.047 121.229 121.223 0.089 0.000 2.455 401 L HA 0.513 4.854 4.340 0.001 0.000 0.264 401 L C -1.168 175.770 176.870 0.113 0.000 0.968 401 L CA -0.395 54.511 54.840 0.110 0.000 0.827 401 L CB 1.971 44.134 42.059 0.173 0.000 1.317 401 L HN 0.031 nan 8.230 nan 0.000 0.407 402 N N 4.517 123.281 118.700 0.107 0.000 2.225 402 N HA 0.707 5.447 4.740 0.001 0.000 0.298 402 N C -1.702 173.894 175.510 0.143 0.000 1.076 402 N CA -0.750 52.373 53.050 0.122 0.000 0.792 402 N CB 2.303 40.842 38.487 0.086 0.000 1.498 402 N HN 0.429 nan 8.380 nan 0.000 0.474 403 L N 1.030 122.362 121.223 0.181 0.000 2.346 403 L HA 0.434 4.775 4.340 0.001 0.000 0.274 403 L C 0.485 177.473 176.870 0.196 0.000 1.007 403 L CA -0.465 54.476 54.840 0.168 0.000 0.818 403 L CB 2.003 44.115 42.059 0.087 0.000 1.284 403 L HN 0.630 nan 8.230 nan 0.000 0.424 404 S N -0.185 115.603 115.700 0.147 0.000 2.562 404 S HA 0.294 4.764 4.470 0.001 0.000 0.246 404 S C 0.767 175.442 174.600 0.124 0.000 1.056 404 S CA 0.090 58.369 58.200 0.131 0.000 1.042 404 S CB 0.848 64.102 63.200 0.091 0.000 0.822 404 S HN 0.676 nan 8.310 nan 0.000 0.465 405 A N 1.651 124.554 122.820 0.139 0.000 1.911 405 A HA 0.595 4.915 4.320 0.001 0.000 0.212 405 A C 2.032 179.718 177.584 0.170 0.000 1.189 405 A CA 0.862 52.953 52.037 0.089 0.000 0.639 405 A CB -1.136 17.841 19.000 -0.038 0.000 0.839 405 A HN 1.579 nan 8.150 nan 0.000 0.449 406 G N -1.833 107.203 108.800 0.394 0.000 2.205 406 G HA2 -0.185 3.775 3.960 0.001 0.000 0.261 406 G HA3 -0.185 3.775 3.960 0.001 0.000 0.261 406 G C 0.522 175.657 174.900 0.393 0.000 0.980 406 G CA 1.307 46.628 45.100 0.368 0.000 0.632 406 G HN 1.756 nan 8.290 nan 0.000 0.533 407 T N -0.998 113.716 114.554 0.266 0.000 3.109 407 T HA 0.568 4.918 4.350 0.001 0.000 0.311 407 T C -1.266 173.393 174.700 -0.069 0.000 1.011 407 T CA 0.118 62.314 62.100 0.159 0.000 1.026 407 T CB 1.870 70.790 68.868 0.087 0.000 1.047 407 T HN 0.876 nan 8.240 nan 0.000 0.448 408 V N 6.533 126.386 119.914 -0.102 0.000 2.447 408 V HA 0.582 4.702 4.120 0.001 0.000 0.292 408 V C 0.106 176.189 176.094 -0.018 0.000 1.021 408 V CA -0.845 61.330 62.300 -0.210 0.000 0.850 408 V CB 1.576 33.105 31.823 -0.490 0.000 1.005 408 V HN 0.848 nan 8.190 nan 0.000 0.426 409 R N 1.984 122.492 120.500 0.014 0.000 2.674 409 R HA 0.509 4.850 4.340 0.001 0.000 0.266 409 R C -0.351 176.038 176.300 0.148 0.000 1.016 409 R CA -0.878 55.271 56.100 0.082 0.000 1.062 409 R CB 1.462 31.801 30.300 0.065 0.000 1.142 409 R HN 0.758 nan 8.270 nan 0.000 0.517 410 H N 2.626 121.741 119.070 0.074 0.000 2.652 410 H HA 0.008 4.564 4.556 0.001 0.000 0.298 410 H C 0.387 175.800 175.328 0.142 0.000 1.076 410 H CA -0.173 55.942 56.048 0.111 0.000 1.360 410 H CB 0.615 30.419 29.762 0.070 0.000 1.421 410 H HN 0.636 nan 8.280 nan 0.000 0.464 411 F N 5.136 124.967 119.950 -0.200 0.000 2.043 411 F HA -0.312 4.216 4.527 0.001 0.000 0.297 411 F C 1.595 177.341 175.800 -0.090 0.000 1.118 411 F CA 1.758 59.708 58.000 -0.084 0.000 1.202 411 F CB -0.144 38.864 39.000 0.014 0.000 0.965 411 F HN 0.560 nan 8.300 nan 0.000 0.482 412 L N -0.298 120.779 121.223 -0.243 0.000 2.017 412 L HA -0.214 4.126 4.340 0.001 0.000 0.208 412 L C 2.519 179.306 176.870 -0.139 0.000 1.073 412 L CA 2.080 56.769 54.840 -0.252 0.000 0.745 412 L CB -1.175 40.869 42.059 -0.025 0.000 0.894 412 L HN 0.413 nan 8.230 nan 0.000 0.432 413 T N -4.426 110.200 114.554 0.120 0.000 3.067 413 T HA 0.158 4.508 4.350 0.001 0.000 0.257 413 T C 1.535 176.253 174.700 0.031 0.000 1.105 413 T CA 0.575 62.730 62.100 0.091 0.000 1.104 413 T CB 0.475 69.430 68.868 0.145 0.000 0.925 413 T HN 0.479 nan 8.240 nan 0.000 0.498 414 G N 1.593 110.411 108.800 0.029 0.000 2.184 414 G HA2 -0.266 3.694 3.960 0.001 0.000 0.264 414 G HA3 -0.266 3.694 3.960 0.001 0.000 0.264 414 G C -0.162 174.768 174.900 0.050 0.000 0.975 414 G CA 0.165 45.268 45.100 0.004 0.000 0.642 414 G HN 0.669 nan 8.290 nan 0.000 0.536 415 E N 0.804 121.055 120.200 0.084 0.000 2.328 415 E HA 0.268 4.618 4.350 0.001 0.000 0.265 415 E C 0.877 177.524 176.600 0.079 0.000 1.057 415 E CA -0.496 55.940 56.400 0.060 0.000 0.916 415 E CB 0.546 30.261 29.700 0.025 0.000 0.993 415 E HN 0.403 nan 8.360 nan 0.000 0.446 416 R N 3.381 123.919 120.500 0.062 0.000 2.523 416 R HA -0.014 4.326 4.340 0.001 0.000 0.281 416 R C -0.552 175.802 176.300 0.089 0.000 0.969 416 R CA 0.473 56.618 56.100 0.076 0.000 1.093 416 R CB 0.203 30.543 30.300 0.065 0.000 0.917 416 R HN 0.440 nan 8.270 nan 0.000 0.408 417 L N 2.178 123.473 121.223 0.120 0.000 2.319 417 L HA 0.376 4.717 4.340 0.001 0.000 0.267 417 L C 0.036 177.036 176.870 0.217 0.000 1.011 417 L CA -0.916 54.007 54.840 0.139 0.000 0.818 417 L CB 1.960 44.100 42.059 0.135 0.000 1.316 417 L HN 0.573 nan 8.230 nan 0.000 0.432 418 S N 1.720 117.529 115.700 0.182 0.000 2.489 418 S HA 0.632 5.102 4.470 0.001 0.000 0.277 418 S C -0.764 174.000 174.600 0.273 0.000 1.230 418 S CA -0.418 57.889 58.200 0.177 0.000 1.053 418 S CB -0.069 63.182 63.200 0.084 0.000 0.955 418 S HN 0.415 nan 8.310 nan 0.000 0.488 419 F N 2.260 122.234 119.950 0.041 0.000 2.686 419 F HA 0.855 5.383 4.527 0.001 0.000 0.311 419 F C -1.307 174.518 175.800 0.041 0.000 1.128 419 F CA -1.141 56.888 58.000 0.048 0.000 0.946 419 F CB 1.118 40.154 39.000 0.060 0.000 1.336 419 F HN 0.678 nan 8.300 nan 0.000 0.457 420 K N 1.024 121.371 120.400 -0.089 0.000 2.578 420 K HA 0.442 4.763 4.320 0.001 0.000 0.269 420 K C -2.136 174.497 176.600 0.056 0.000 0.941 420 K CA -0.968 55.214 56.287 -0.176 0.000 0.847 420 K CB 1.632 34.047 32.500 -0.141 0.000 1.397 420 K HN 0.597 nan 8.250 nan 0.000 0.422 421 N N 1.664 120.395 118.700 0.052 0.000 2.411 421 N HA 0.162 4.903 4.740 0.001 0.000 0.259 421 N C -0.941 174.599 175.510 0.051 0.000 1.103 421 N CA -0.343 52.762 53.050 0.092 0.000 0.954 421 N CB 1.560 40.103 38.487 0.093 0.000 1.085 421 N HN 0.360 nan 8.380 nan 0.000 0.485 422 V N 2.308 122.257 119.914 0.058 0.000 2.239 422 V HA 0.436 4.557 4.120 0.001 0.000 0.267 422 V C 1.085 177.203 176.094 0.040 0.000 1.056 422 V CA -0.094 62.230 62.300 0.040 0.000 0.830 422 V CB 0.024 31.872 31.823 0.041 0.000 1.090 422 V HN 0.992 nan 8.190 nan 0.000 0.459 423 G N 5.184 114.003 108.800 0.032 0.000 2.514 423 G HA2 -0.295 3.666 3.960 0.001 0.000 0.265 423 G HA3 -0.295 3.666 3.960 0.001 0.000 0.265 423 G C 0.718 175.640 174.900 0.035 0.000 1.150 423 G CA 0.431 45.548 45.100 0.029 0.000 0.959 423 G HN 0.885 nan 8.290 nan 0.000 0.556 424 K N 1.023 121.443 120.400 0.034 0.000 2.458 424 K HA 0.322 4.642 4.320 0.001 0.000 0.194 424 K C 0.522 177.153 176.600 0.051 0.000 1.024 424 K CA 0.548 56.857 56.287 0.036 0.000 1.108 424 K CB 0.060 32.576 32.500 0.027 0.000 0.846 424 K HN 0.351 nan 8.250 nan 0.000 0.518 425 N N 0.548 119.284 118.700 0.060 0.000 2.619 425 N HA 0.462 5.203 4.740 0.001 0.000 0.294 425 N C -1.873 173.698 175.510 0.101 0.000 1.279 425 N CA -0.825 52.271 53.050 0.077 0.000 0.867 425 N CB 1.457 39.986 38.487 0.069 0.000 1.329 425 N HN 0.093 nan 8.380 nan 0.000 0.557 426 L N -0.080 121.217 121.223 0.123 0.000 2.381 426 L HA 0.505 4.845 4.340 0.001 0.000 0.274 426 L C -1.125 175.844 176.870 0.165 0.000 0.988 426 L CA -0.246 54.693 54.840 0.165 0.000 0.824 426 L CB 1.518 43.687 42.059 0.185 0.000 1.263 426 L HN 0.496 nan 8.230 nan 0.000 0.410 427 E N 5.803 126.109 120.200 0.177 0.000 2.176 427 E HA 0.617 4.967 4.350 0.001 0.000 0.267 427 E C -1.213 175.509 176.600 0.203 0.000 0.893 427 E CA -0.444 56.050 56.400 0.156 0.000 0.761 427 E CB 2.173 31.937 29.700 0.106 0.000 1.133 427 E HN 0.523 nan 8.360 nan 0.000 0.409 428 I N 1.455 122.136 120.570 0.184 0.000 2.730 428 I HA 0.331 4.502 4.170 0.001 0.000 0.298 428 I C -0.444 175.748 176.117 0.125 0.000 1.089 428 I CA -0.777 60.639 61.300 0.193 0.000 1.041 428 I CB 2.569 40.685 38.000 0.193 0.000 1.235 428 I HN 0.336 nan 8.210 nan 0.000 0.423 429 T N 4.405 119.025 114.554 0.110 0.000 2.786 429 T HA 0.461 4.812 4.350 0.001 0.000 0.283 429 T C -0.463 174.267 174.700 0.050 0.000 0.992 429 T CA -0.422 61.717 62.100 0.065 0.000 0.954 429 T CB 1.568 70.468 68.868 0.054 0.000 0.934 429 T HN 0.207 nan 8.240 nan 0.000 0.440 430 V N 6.648 126.572 119.914 0.018 0.000 2.326 430 V HA 0.321 4.442 4.120 0.001 0.000 0.281 430 V C -2.332 173.742 176.094 -0.033 0.000 1.015 430 V CA -2.352 59.944 62.300 -0.007 0.000 0.823 430 V CB 1.079 32.884 31.823 -0.030 0.000 1.009 430 V HN 0.664 nan 8.190 nan 0.000 0.436 431 P HA 0.028 nan 4.420 nan 0.000 0.262 431 P C 0.733 177.992 177.300 -0.067 0.000 1.182 431 P CA 0.014 63.083 63.100 -0.052 0.000 0.761 431 P CB 0.710 32.373 31.700 -0.061 0.000 0.795 432 K N 5.268 125.641 120.400 -0.044 0.000 2.173 432 K HA -0.238 4.082 4.320 0.001 0.000 0.207 432 K C 1.654 178.226 176.600 -0.046 0.000 1.046 432 K CA 1.995 58.259 56.287 -0.038 0.000 0.929 432 K CB -0.259 32.227 32.500 -0.023 0.000 0.720 432 K HN 0.441 nan 8.250 nan 0.000 0.453 433 K N -0.003 120.363 120.400 -0.056 0.000 2.057 433 K HA -0.150 4.171 4.320 0.001 0.000 0.207 433 K C 1.994 178.539 176.600 -0.091 0.000 1.049 433 K CA 1.701 57.953 56.287 -0.059 0.000 0.931 433 K CB -0.503 31.962 32.500 -0.058 0.000 0.714 433 K HN 0.107 nan 8.250 nan 0.000 0.440 434 L N 1.102 122.221 121.223 -0.173 0.000 2.027 434 L HA -0.098 4.242 4.340 0.001 0.000 0.206 434 L C 2.617 179.399 176.870 -0.147 0.000 1.074 434 L CA 0.963 55.590 54.840 -0.355 0.000 0.745 434 L CB -0.589 41.042 42.059 -0.713 0.000 0.898 434 L HN 0.143 nan 8.230 nan 0.000 0.433 435 L N -0.235 120.942 121.223 -0.076 0.000 2.187 435 L HA -0.227 4.114 4.340 0.001 0.000 0.213 435 L C 2.276 179.170 176.870 0.041 0.000 1.100 435 L CA 1.125 55.970 54.840 0.008 0.000 0.765 435 L CB -0.355 41.688 42.059 -0.027 0.000 0.904 435 L HN 0.278 nan 8.230 nan 0.000 0.437 436 E N -1.315 118.895 120.200 0.018 0.000 2.371 436 E HA -0.134 4.217 4.350 0.001 0.000 0.194 436 E C 2.115 178.750 176.600 0.060 0.000 1.012 436 E CA 0.733 57.153 56.400 0.033 0.000 0.860 436 E CB 0.223 29.931 29.700 0.012 0.000 0.811 436 E HN 0.188 nan 8.360 nan 0.000 0.502 437 T N 0.141 114.739 114.554 0.072 0.000 2.857 437 T HA -0.080 4.271 4.350 0.001 0.000 0.266 437 T C 0.445 175.248 174.700 0.172 0.000 1.048 437 T CA 0.450 62.613 62.100 0.104 0.000 1.139 437 T CB -0.121 68.811 68.868 0.106 0.000 0.874 437 T HN 0.029 nan 8.240 nan 0.000 0.455 438 D N 0.963 121.510 120.400 0.244 0.000 2.400 438 D HA 0.092 4.732 4.640 0.001 0.000 0.238 438 D C 0.909 177.372 176.300 0.271 0.000 1.157 438 D CA 0.110 54.304 54.000 0.323 0.000 0.889 438 D CB 1.527 42.511 40.800 0.306 0.000 1.199 438 D HN 0.211 nan 8.370 nan 0.000 0.436 439 S N 0.866 116.796 115.700 0.383 0.000 2.357 439 S HA 0.095 4.565 4.470 0.001 0.000 0.209 439 S C 1.653 176.406 174.600 0.254 0.000 1.023 439 S CA 0.255 58.642 58.200 0.311 0.000 0.933 439 S CB 0.119 63.551 63.200 0.387 0.000 0.897 439 S HN 0.482 nan 8.310 nan 0.000 0.529 440 I N 0.743 121.494 120.570 0.302 0.000 4.312 440 I HA 0.183 4.353 4.170 0.001 0.000 0.324 440 I C -0.249 175.965 176.117 0.161 0.000 1.298 440 I CA 0.187 61.585 61.300 0.163 0.000 1.231 440 I CB 1.161 39.167 38.000 0.010 0.000 1.152 440 I HN 0.350 nan 8.210 nan 0.000 0.421 441 T N -0.118 114.520 114.554 0.140 0.000 2.886 441 T HA 0.543 4.893 4.350 0.001 0.000 0.292 441 T C -0.815 173.876 174.700 -0.015 0.000 1.012 441 T CA -0.661 61.472 62.100 0.056 0.000 0.982 441 T CB 2.428 71.308 68.868 0.021 0.000 1.018 441 T HN -0.035 nan 8.240 nan 0.000 0.451 442 L N 3.624 124.855 121.223 0.013 0.000 2.319 442 L HA 0.720 5.061 4.340 0.001 0.000 0.280 442 L C -1.009 175.895 176.870 0.057 0.000 1.099 442 L CA -0.194 54.618 54.840 -0.045 0.000 0.828 442 L CB 0.579 42.411 42.059 -0.379 0.000 1.150 442 L HN 0.640 nan 8.230 nan 0.000 0.442 443 V N 6.620 126.561 119.914 0.045 0.000 2.531 443 V HA 0.518 4.638 4.120 0.001 0.000 0.301 443 V C 0.011 176.181 176.094 0.127 0.000 1.034 443 V CA -0.558 61.795 62.300 0.087 0.000 0.865 443 V CB 1.600 33.389 31.823 -0.056 0.000 0.995 443 V HN 0.742 nan 8.190 nan 0.000 0.424 444 L N 3.263 124.607 121.223 0.202 0.000 2.319 444 L HA 0.733 5.074 4.340 0.001 0.000 0.267 444 L C -0.344 176.627 176.870 0.168 0.000 1.011 444 L CA -0.632 54.319 54.840 0.185 0.000 0.818 444 L CB 2.344 44.523 42.059 0.199 0.000 1.316 444 L HN 0.646 nan 8.230 nan 0.000 0.432 445 E N 0.994 121.266 120.200 0.120 0.000 2.218 445 E HA 0.646 4.997 4.350 0.001 0.000 0.263 445 E C -1.496 175.035 176.600 -0.115 0.000 0.879 445 E CA -0.610 55.794 56.400 0.007 0.000 0.762 445 E CB 2.086 31.867 29.700 0.134 0.000 1.166 445 E HN 0.693 nan 8.360 nan 0.000 0.415 446 A N 3.366 126.043 122.820 -0.237 0.000 2.312 446 A HA 0.735 5.055 4.320 0.001 0.000 0.328 446 A C -0.718 176.718 177.584 -0.246 0.000 1.158 446 A CA -0.474 51.407 52.037 -0.260 0.000 0.821 446 A CB 1.213 20.022 19.000 -0.318 0.000 1.170 446 A HN 0.407 nan 8.150 nan 0.000 0.490 447 V N 0.000 119.814 119.914 -0.166 0.000 2.409 447 V HA 0.000 4.121 4.120 0.001 0.000 0.244 447 V CA 0.000 62.231 62.300 -0.115 0.000 1.235 447 V CB 0.000 31.780 31.823 -0.072 0.000 1.184 447 V HN 0.000 nan 8.190 nan 0.000 0.556