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 1lv8_1_D DATA FIRST_RESID 3 DATA SEQUENCE NGYTYEDYQD TAKWLLSHTE QRPQVAVICG SGLGGLVNKL TQAQTFDYSE DATA SEQUENCE IPNFPESTVP GHAGRLVFGI LNGRACVMMQ GRFHMYEGYP FWKVTFPVRV DATA SEQUENCE FRLLGVETLV VTNAAGGLNP NFEVGDIMLI RDHINLPGFS GQNPLRGPNE DATA SEQUENCE ERFGVRFPAM SDAYDRDMRQ KAHSTWKQMG EQRELQEGTY VMLGGPNFET DATA SEQUENCE VAECRLLRNL GADAVGMSTV PEVIVARHCG LRVFGFSLIT NKVIMDXXXX DATA SEQUENCE XXXXXXXXXX XXXQAAQKLE QFVSLLMASI PV 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 174.581 175.510 -1.549 0.000 1.280 3 N CA 0.000 52.570 53.050 -0.800 0.000 0.885 3 N CB 0.000 38.317 38.487 -0.283 0.000 1.341 4 G N -1.351 106.567 108.800 -1.469 0.000 4.251 4 G HA2 0.150 4.110 3.960 0.000 0.000 0.147 4 G HA3 0.150 4.110 3.960 0.000 0.000 0.147 4 G C -1.125 173.280 174.900 -0.826 0.000 1.014 4 G CA -0.068 44.159 45.100 -1.456 0.000 0.831 4 G HN 0.288 nan 8.290 nan 0.000 0.539 5 Y N 2.591 122.625 120.300 -0.443 0.000 2.352 5 Y HA 0.576 5.126 4.550 0.000 0.000 0.326 5 Y C 1.022 176.872 175.900 -0.083 0.000 1.166 5 Y CA -0.331 57.624 58.100 -0.242 0.000 1.182 5 Y CB 1.564 39.817 38.460 -0.345 0.000 1.216 5 Y HN 0.097 nan 8.280 nan 0.000 0.474 6 T N -1.577 113.065 114.554 0.146 0.000 2.912 6 T HA 0.115 4.465 4.350 0.000 0.000 0.280 6 T C 0.703 175.622 174.700 0.366 0.000 0.989 6 T CA -0.582 61.649 62.100 0.219 0.000 0.995 6 T CB 0.720 69.671 68.868 0.137 0.000 1.077 6 T HN 0.640 nan 8.240 nan 0.000 0.531 7 Y N 0.924 121.413 120.300 0.315 0.000 2.151 7 Y HA -0.171 4.379 4.550 0.000 0.000 0.284 7 Y C 2.419 178.484 175.900 0.275 0.000 1.166 7 Y CA 1.999 60.315 58.100 0.360 0.000 1.163 7 Y CB -0.453 38.060 38.460 0.087 0.000 0.974 7 Y HN 0.837 nan 8.280 nan 0.000 0.511 8 E N -0.509 119.789 120.200 0.165 0.000 2.265 8 E HA -0.208 4.142 4.350 0.000 0.000 0.196 8 E C 1.643 178.258 176.600 0.025 0.000 0.996 8 E CA 1.025 57.459 56.400 0.056 0.000 0.832 8 E CB -0.082 29.673 29.700 0.091 0.000 0.756 8 E HN 0.575 nan 8.360 nan 0.000 0.491 9 D N -0.044 120.380 120.400 0.039 0.000 2.097 9 D HA -0.145 4.495 4.640 0.000 0.000 0.197 9 D C 1.712 178.016 176.300 0.007 0.000 0.984 9 D CA 1.093 55.095 54.000 0.003 0.000 0.826 9 D CB -0.327 40.461 40.800 -0.020 0.000 0.973 9 D HN 0.252 nan 8.370 nan 0.000 0.460 10 Y N 1.589 121.905 120.300 0.028 0.000 2.165 10 Y HA -0.158 4.392 4.550 0.000 0.000 0.286 10 Y C 2.682 178.503 175.900 -0.131 0.000 1.155 10 Y CA 1.108 59.149 58.100 -0.099 0.000 1.164 10 Y CB -0.461 37.958 38.460 -0.069 0.000 0.978 10 Y HN 0.037 nan 8.280 nan 0.000 0.513 11 Q N -0.080 119.686 119.800 -0.056 0.000 2.016 11 Q HA -0.193 4.147 4.340 0.000 0.000 0.200 11 Q C 1.797 177.811 176.000 0.024 0.000 0.978 11 Q CA 1.525 57.282 55.803 -0.077 0.000 0.833 11 Q CB -0.208 28.447 28.738 -0.139 0.000 0.895 11 Q HN 0.447 nan 8.270 nan 0.000 0.427 12 D N -0.081 120.342 120.400 0.039 0.000 2.133 12 D HA -0.147 4.493 4.640 0.000 0.000 0.195 12 D C 1.845 178.215 176.300 0.116 0.000 0.997 12 D CA 1.563 55.608 54.000 0.075 0.000 0.840 12 D CB -0.339 40.497 40.800 0.060 0.000 0.947 12 D HN 0.204 nan 8.370 nan 0.000 0.452 13 T N 0.465 115.090 114.554 0.118 0.000 2.821 13 T HA -0.056 4.294 4.350 0.000 0.000 0.267 13 T C 1.980 176.795 174.700 0.192 0.000 1.046 13 T CA 1.301 63.496 62.100 0.157 0.000 1.139 13 T CB -0.172 68.841 68.868 0.242 0.000 0.871 13 T HN 0.210 nan 8.240 nan 0.000 0.454 14 A N 2.060 124.966 122.820 0.143 0.000 1.873 14 A HA -0.106 4.214 4.320 0.000 0.000 0.215 14 A C 2.264 179.933 177.584 0.141 0.000 1.186 14 A CA 1.205 53.328 52.037 0.145 0.000 0.616 14 A CB -0.282 18.777 19.000 0.098 0.000 0.823 14 A HN 0.225 nan 8.150 nan 0.000 0.442 15 K N -1.093 119.380 120.400 0.121 0.000 2.103 15 K HA -0.207 4.113 4.320 0.000 0.000 0.207 15 K C 1.638 178.310 176.600 0.121 0.000 1.048 15 K CA 1.373 57.721 56.287 0.103 0.000 0.930 15 K CB -0.785 31.769 32.500 0.089 0.000 0.716 15 K HN 0.780 nan 8.250 nan 0.000 0.444 16 W N 1.753 123.024 121.300 -0.048 0.000 2.354 16 W HA -0.145 4.515 4.660 0.000 0.000 0.315 16 W C 1.830 178.212 176.519 -0.228 0.000 1.206 16 W CA 1.363 58.618 57.345 -0.149 0.000 1.290 16 W CB -0.293 29.032 29.460 -0.226 0.000 1.152 16 W HN -0.049 nan 8.180 nan 0.000 0.489 17 L N 0.133 121.464 121.223 0.181 0.000 2.083 17 L HA -0.245 4.095 4.340 0.000 0.000 0.209 17 L C 2.502 179.290 176.870 -0.138 0.000 1.083 17 L CA 1.090 55.903 54.840 -0.045 0.000 0.752 17 L CB -0.933 41.236 42.059 0.182 0.000 0.899 17 L HN 0.086 nan 8.230 nan 0.000 0.433 18 L N -0.543 120.670 121.223 -0.017 0.000 2.046 18 L HA -0.199 4.141 4.340 0.000 0.000 0.208 18 L C 2.785 179.616 176.870 -0.066 0.000 1.077 18 L CA 1.666 56.493 54.840 -0.022 0.000 0.747 18 L CB -0.513 41.565 42.059 0.031 0.000 0.896 18 L HN 0.417 nan 8.230 nan 0.000 0.432 19 S N -2.177 113.482 115.700 -0.068 0.000 2.489 19 S HA -0.130 4.340 4.470 0.000 0.000 0.228 19 S C 1.573 176.084 174.600 -0.147 0.000 0.995 19 S CA 0.420 58.572 58.200 -0.080 0.000 0.934 19 S CB -0.372 62.798 63.200 -0.049 0.000 0.771 19 S HN 0.439 nan 8.310 nan 0.000 0.522 20 H N 0.852 119.651 119.070 -0.451 0.000 2.539 20 H HA 0.444 5.000 4.556 0.000 0.000 0.267 20 H C 0.234 175.460 175.328 -0.169 0.000 0.982 20 H CA 0.597 56.379 56.048 -0.444 0.000 1.146 20 H CB 0.399 29.597 29.762 -0.940 0.000 1.382 20 H HN 0.437 nan 8.280 nan 0.000 0.577 21 T N -0.287 114.198 114.554 -0.115 0.000 3.159 21 T HA 0.092 4.442 4.350 0.000 0.000 0.343 21 T C 0.222 174.846 174.700 -0.127 0.000 1.364 21 T CA -0.734 61.295 62.100 -0.119 0.000 1.102 21 T CB 1.161 69.891 68.868 -0.230 0.000 1.263 21 T HN 0.256 nan 8.240 nan 0.000 0.477 22 E N 3.098 123.247 120.200 -0.084 0.000 2.435 22 E HA 0.062 4.412 4.350 0.000 0.000 0.195 22 E C 0.393 176.979 176.600 -0.024 0.000 1.029 22 E CA 0.161 56.531 56.400 -0.050 0.000 0.865 22 E CB -0.042 29.636 29.700 -0.037 0.000 0.833 22 E HN 0.726 nan 8.360 nan 0.000 0.510 23 Q N 1.023 120.805 119.800 -0.030 0.000 2.395 23 Q HA 0.161 4.501 4.340 0.000 0.000 0.271 23 Q C -0.082 175.974 176.000 0.092 0.000 1.026 23 Q CA 0.385 56.215 55.803 0.045 0.000 0.900 23 Q CB 0.669 29.469 28.738 0.103 0.000 1.266 23 Q HN -0.019 nan 8.270 nan 0.000 0.430 24 R N 2.739 123.312 120.500 0.122 0.000 2.629 24 R HA 0.293 4.633 4.340 0.000 0.000 0.275 24 R C -2.525 173.853 176.300 0.131 0.000 1.719 24 R CA -1.689 54.490 56.100 0.131 0.000 1.472 24 R CB 0.783 31.131 30.300 0.080 0.000 1.237 24 R HN 0.556 nan 8.270 nan 0.000 0.589 25 P HA 0.055 nan 4.420 nan 0.000 0.267 25 P C -0.013 177.310 177.300 0.038 0.000 1.200 25 P CA -0.062 63.087 63.100 0.081 0.000 0.772 25 P CB 1.283 32.997 31.700 0.022 0.000 0.855 26 Q N 0.875 120.680 119.800 0.008 0.000 2.378 26 Q HA 0.151 4.491 4.340 0.000 0.000 0.229 26 Q C 0.389 176.378 176.000 -0.018 0.000 0.882 26 Q CA 0.430 56.238 55.803 0.008 0.000 0.936 26 Q CB 0.265 29.014 28.738 0.018 0.000 1.092 26 Q HN 0.495 nan 8.270 nan 0.000 0.535 27 V N -2.570 117.310 119.914 -0.058 0.000 2.962 27 V HA 1.015 5.135 4.120 0.000 0.000 0.313 27 V C -1.101 174.863 176.094 -0.218 0.000 1.099 27 V CA -1.045 61.199 62.300 -0.094 0.000 0.971 27 V CB 1.723 33.518 31.823 -0.047 0.000 1.028 27 V HN -0.041 nan 8.190 nan 0.000 0.430 28 A N 2.787 125.436 122.820 -0.286 0.000 2.374 28 A HA 0.941 5.261 4.320 0.000 0.000 0.317 28 A C -0.910 176.473 177.584 -0.334 0.000 1.094 28 A CA -0.730 51.009 52.037 -0.497 0.000 0.765 28 A CB 2.029 20.482 19.000 -0.911 0.000 1.268 28 A HN 1.571 nan 8.150 nan 0.000 0.438 29 V N 2.795 122.524 119.914 -0.308 0.000 2.531 29 V HA 0.392 4.512 4.120 0.000 0.000 0.301 29 V C -0.553 175.464 176.094 -0.128 0.000 1.034 29 V CA -0.167 62.014 62.300 -0.199 0.000 0.865 29 V CB 1.524 33.252 31.823 -0.158 0.000 0.995 29 V HN 0.742 nan 8.190 nan 0.000 0.424 30 I N 3.899 124.418 120.570 -0.084 0.000 2.306 30 I HA 0.312 4.482 4.170 0.000 0.000 0.288 30 I C -0.066 176.027 176.117 -0.039 0.000 1.036 30 I CA -0.168 61.113 61.300 -0.033 0.000 1.221 30 I CB 0.988 38.973 38.000 -0.025 0.000 1.385 30 I HN 0.566 nan 8.210 nan 0.000 0.472 31 C N 5.371 124.659 119.300 -0.020 0.000 2.585 31 C HA 0.481 4.941 4.460 0.000 0.000 0.406 31 C C 1.405 176.404 174.990 0.014 0.000 1.312 31 C CA -0.531 58.484 59.018 -0.005 0.000 1.924 31 C CB -0.019 27.721 27.740 0.001 0.000 2.578 31 C HN 0.919 nan 8.230 nan 0.000 0.580 32 G N 1.607 110.425 108.800 0.031 0.000 2.508 32 G HA2 0.381 4.341 3.960 0.000 0.000 0.278 32 G HA3 0.381 4.341 3.960 0.000 0.000 0.278 32 G C 0.012 174.969 174.900 0.095 0.000 1.389 32 G CA -0.244 44.895 45.100 0.066 0.000 1.050 32 G HN 0.805 nan 8.290 nan 0.000 0.522 33 S N -1.037 114.743 115.700 0.134 0.000 2.537 33 S HA 0.399 4.869 4.470 0.000 0.000 0.286 33 S C 1.570 176.231 174.600 0.102 0.000 1.299 33 S CA 1.127 59.410 58.200 0.138 0.000 1.067 33 S CB -0.068 63.227 63.200 0.158 0.000 0.864 33 S HN 2.137 nan 8.310 nan 0.000 0.494 34 G N 3.905 112.759 108.800 0.090 0.000 2.245 34 G HA2 -0.195 3.765 3.960 0.000 0.000 0.264 34 G HA3 -0.195 3.765 3.960 0.000 0.000 0.264 34 G C 0.506 175.437 174.900 0.051 0.000 0.985 34 G CA 0.354 45.495 45.100 0.068 0.000 0.625 34 G HN 0.657 nan 8.290 nan 0.000 0.536 35 L N 1.779 123.033 121.223 0.051 0.000 2.629 35 L HA 0.275 4.615 4.340 0.000 0.000 0.230 35 L C 2.634 179.518 176.870 0.023 0.000 1.151 35 L CA 1.382 56.242 54.840 0.035 0.000 0.924 35 L CB -0.973 41.107 42.059 0.034 0.000 1.137 35 L HN 0.322 nan 8.230 nan 0.000 0.457 36 G N 0.523 109.339 108.800 0.026 0.000 2.475 36 G HA2 -0.255 3.705 3.960 0.000 0.000 0.220 36 G HA3 -0.255 3.705 3.960 0.000 0.000 0.220 36 G C 1.510 176.410 174.900 0.000 0.000 1.125 36 G CA 0.746 45.853 45.100 0.012 0.000 0.755 36 G HN 0.482 nan 8.290 nan 0.000 0.565 37 G N 0.295 109.097 108.800 0.004 0.000 2.586 37 G HA2 -0.089 3.871 3.960 0.000 0.000 0.215 37 G HA3 -0.089 3.871 3.960 0.000 0.000 0.215 37 G C 1.522 176.419 174.900 -0.005 0.000 1.128 37 G CA 0.223 45.322 45.100 -0.001 0.000 0.774 37 G HN 0.450 nan 8.290 nan 0.000 0.543 38 L N 0.349 121.568 121.223 -0.006 0.000 2.362 38 L HA -0.025 4.315 4.340 0.000 0.000 0.219 38 L C 2.681 179.541 176.870 -0.017 0.000 1.134 38 L CA 0.255 55.088 54.840 -0.012 0.000 0.807 38 L CB 0.019 42.068 42.059 -0.017 0.000 0.927 38 L HN 0.148 nan 8.230 nan 0.000 0.447 39 V N -0.330 119.574 119.914 -0.017 0.000 2.307 39 V HA -0.194 3.926 4.120 0.000 0.000 0.245 39 V C 1.084 177.169 176.094 -0.015 0.000 1.045 39 V CA 1.006 63.295 62.300 -0.019 0.000 1.024 39 V CB -0.717 31.094 31.823 -0.021 0.000 0.651 39 V HN 0.498 nan 8.190 nan 0.000 0.449 40 N N 0.828 119.520 118.700 -0.014 0.000 2.415 40 N HA 0.141 4.881 4.740 0.000 0.000 0.248 40 N C 0.328 175.832 175.510 -0.009 0.000 1.271 40 N CA 0.069 53.112 53.050 -0.012 0.000 0.913 40 N CB 0.109 38.589 38.487 -0.011 0.000 1.129 40 N HN 0.353 nan 8.380 nan 0.000 0.444 41 K N -1.326 119.069 120.400 -0.008 0.000 3.218 41 K HA -0.199 4.121 4.320 0.000 0.000 0.276 41 K C -1.190 175.406 176.600 -0.006 0.000 1.173 41 K CA 0.224 56.508 56.287 -0.006 0.000 0.812 41 K CB -1.340 31.157 32.500 -0.005 0.000 1.275 41 K HN 0.402 nan 8.250 nan 0.000 0.504 42 L N 0.159 121.379 121.223 -0.005 0.000 2.455 42 L HA 0.507 4.847 4.340 0.000 0.000 0.264 42 L C -0.110 176.761 176.870 0.001 0.000 0.968 42 L CA 0.037 54.875 54.840 -0.003 0.000 0.827 42 L CB 2.082 44.137 42.059 -0.006 0.000 1.317 42 L HN 0.214 nan 8.230 nan 0.000 0.407 43 T N 0.126 114.683 114.554 0.006 0.000 2.950 43 T HA 0.504 4.854 4.350 0.000 0.000 0.288 43 T C 0.048 174.755 174.700 0.012 0.000 1.035 43 T CA -0.210 61.894 62.100 0.006 0.000 1.028 43 T CB 1.531 70.402 68.868 0.004 0.000 1.109 43 T HN 0.693 nan 8.240 nan 0.000 0.514 44 Q N -0.847 118.957 119.800 0.006 0.000 2.480 44 Q HA -0.205 4.135 4.340 0.000 0.000 0.265 44 Q C 0.397 176.406 176.000 0.015 0.000 1.072 44 Q CA 0.383 56.190 55.803 0.007 0.000 1.018 44 Q CB -2.105 26.641 28.738 0.013 0.000 1.433 44 Q HN 1.110 nan 8.270 nan 0.000 0.513 45 A N 1.003 123.830 122.820 0.012 0.000 2.540 45 A HA 0.184 4.504 4.320 0.000 0.000 0.239 45 A C 0.210 177.790 177.584 -0.007 0.000 1.061 45 A CA 0.652 52.702 52.037 0.020 0.000 0.758 45 A CB 0.415 19.418 19.000 0.005 0.000 0.991 45 A HN 0.350 nan 8.150 nan 0.000 0.502 46 Q N 0.884 120.689 119.800 0.009 0.000 2.337 46 Q HA 0.526 4.866 4.340 0.000 0.000 0.270 46 Q C -0.859 175.055 176.000 -0.144 0.000 1.043 46 Q CA -0.353 55.384 55.803 -0.110 0.000 0.794 46 Q CB 2.006 30.678 28.738 -0.109 0.000 1.281 46 Q HN 0.778 nan 8.270 nan 0.000 0.446 47 T N 2.565 116.927 114.554 -0.320 0.000 2.885 47 T HA 0.742 5.092 4.350 0.000 0.000 0.285 47 T C -1.610 172.770 174.700 -0.533 0.000 1.019 47 T CA -0.264 61.682 62.100 -0.256 0.000 1.010 47 T CB 0.485 69.282 68.868 -0.118 0.000 1.022 47 T HN 0.386 nan 8.240 nan 0.000 0.466 48 F N 2.207 122.251 119.950 0.157 0.000 2.557 48 F HA 0.368 4.895 4.527 0.000 0.000 0.316 48 F C 0.126 175.974 175.800 0.080 0.000 1.141 48 F CA -1.203 56.900 58.000 0.171 0.000 0.922 48 F CB 1.612 40.780 39.000 0.279 0.000 1.194 48 F HN 0.406 nan 8.300 nan 0.000 0.443 49 D N 2.518 123.056 120.400 0.230 0.000 2.389 49 D HA 0.012 4.652 4.640 0.000 0.000 0.247 49 D C 0.986 177.383 176.300 0.162 0.000 1.128 49 D CA 0.170 54.231 54.000 0.102 0.000 0.884 49 D CB 0.806 41.659 40.800 0.090 0.000 1.194 49 D HN 0.405 nan 8.370 nan 0.000 0.441 50 Y N 1.524 121.865 120.300 0.069 0.000 2.102 50 Y HA -0.297 4.253 4.550 0.000 0.000 0.280 50 Y C 2.677 178.605 175.900 0.046 0.000 1.178 50 Y CA 1.381 59.511 58.100 0.049 0.000 1.146 50 Y CB -1.314 37.350 38.460 0.341 0.000 0.968 50 Y HN 0.412 nan 8.280 nan 0.000 0.504 51 S N 0.281 116.142 115.700 0.268 0.000 2.420 51 S HA -0.245 4.225 4.470 0.000 0.000 0.237 51 S C 1.507 176.136 174.600 0.048 0.000 1.023 51 S CA 1.521 59.812 58.200 0.151 0.000 0.991 51 S CB -0.682 62.599 63.200 0.135 0.000 0.792 51 S HN 0.790 nan 8.310 nan 0.000 0.488 52 E N 0.620 120.832 120.200 0.019 0.000 2.447 52 E HA 0.222 4.572 4.350 0.000 0.000 0.195 52 E C 0.249 176.627 176.600 -0.370 0.000 1.028 52 E CA -0.206 56.159 56.400 -0.058 0.000 0.876 52 E CB -0.245 29.513 29.700 0.096 0.000 0.885 52 E HN 0.555 nan 8.360 nan 0.000 0.500 53 I N 3.306 123.609 120.570 -0.444 0.000 2.396 53 I HA 0.187 4.357 4.170 0.000 0.000 0.289 53 I C -2.157 173.649 176.117 -0.518 0.000 1.056 53 I CA -2.495 58.302 61.300 -0.839 0.000 1.365 53 I CB 0.550 38.136 38.000 -0.690 0.000 1.407 53 I HN -0.192 nan 8.210 nan 0.000 0.509 54 P HA -0.038 nan 4.420 nan 0.000 0.264 54 P C 0.082 177.314 177.300 -0.114 0.000 1.179 54 P CA 0.459 63.361 63.100 -0.330 0.000 0.763 54 P CB 0.234 31.730 31.700 -0.341 0.000 0.806 55 N N -1.016 117.610 118.700 -0.123 0.000 2.895 55 N HA -0.236 4.504 4.740 0.000 0.000 0.237 55 N C -0.021 175.240 175.510 -0.414 0.000 0.934 55 N CA 1.055 53.968 53.050 -0.229 0.000 0.984 55 N CB -1.817 36.459 38.487 -0.351 0.000 1.089 55 N HN 0.346 nan 8.380 nan 0.000 0.604 56 F N 2.205 121.965 119.950 -0.318 0.000 2.518 56 F HA 0.227 4.754 4.527 0.000 0.000 0.359 56 F C -1.388 174.252 175.800 -0.267 0.000 1.118 56 F CA -1.239 56.618 58.000 -0.239 0.000 1.287 56 F CB 0.367 39.333 39.000 -0.055 0.000 1.132 56 F HN -0.133 nan 8.300 nan 0.000 0.587 57 P HA 0.131 nan 4.420 nan 0.000 0.272 57 P C -1.380 175.797 177.300 -0.204 0.000 1.230 57 P CA -0.232 62.556 63.100 -0.520 0.000 0.788 57 P CB 0.565 31.451 31.700 -1.356 0.000 0.949 58 E N 0.237 120.443 120.200 0.010 0.000 2.199 58 E HA 0.325 4.675 4.350 0.000 0.000 0.269 58 E C -0.440 176.422 176.600 0.436 0.000 0.899 58 E CA -0.705 55.867 56.400 0.287 0.000 0.772 58 E CB 1.289 31.105 29.700 0.193 0.000 1.155 58 E HN 0.325 nan 8.360 nan 0.000 0.408 59 S N 1.080 117.151 115.700 0.618 0.000 2.559 59 S HA -0.061 4.409 4.470 0.000 0.000 0.282 59 S C 1.410 176.235 174.600 0.376 0.000 1.336 59 S CA 0.254 58.810 58.200 0.592 0.000 1.037 59 S CB 0.700 64.184 63.200 0.474 0.000 0.853 59 S HN 0.775 nan 8.310 nan 0.000 0.523 60 T N -1.183 113.577 114.554 0.343 0.000 2.904 60 T HA 0.033 4.383 4.350 0.000 0.000 0.243 60 T C 0.707 175.487 174.700 0.134 0.000 1.024 60 T CA 0.159 62.359 62.100 0.166 0.000 1.158 60 T CB -0.681 68.240 68.868 0.089 0.000 0.867 60 T HN 0.343 nan 8.240 nan 0.000 0.429 61 V N 4.653 124.648 119.914 0.136 0.000 2.621 61 V HA 0.121 4.241 4.120 0.000 0.000 0.300 61 V C -2.251 173.913 176.094 0.117 0.000 1.031 61 V CA -1.088 61.237 62.300 0.041 0.000 1.210 61 V CB -0.801 30.941 31.823 -0.135 0.000 0.864 61 V HN 0.413 nan 8.190 nan 0.000 0.477 62 P HA 0.283 nan 4.420 nan 0.000 0.267 62 P C 1.023 178.453 177.300 0.217 0.000 1.205 62 P CA 1.261 64.437 63.100 0.126 0.000 0.765 62 P CB 0.823 32.571 31.700 0.080 0.000 0.828 63 G N 2.270 111.177 108.800 0.178 0.000 2.184 63 G HA2 -0.274 3.686 3.960 0.000 0.000 0.264 63 G HA3 -0.274 3.686 3.960 0.000 0.000 0.264 63 G C 0.284 175.268 174.900 0.141 0.000 0.975 63 G CA 0.059 45.250 45.100 0.151 0.000 0.642 63 G HN 0.649 nan 8.290 nan 0.000 0.536 64 H N 0.188 119.297 119.070 0.064 0.000 2.507 64 H HA 0.677 5.233 4.556 0.000 0.000 0.271 64 H C 1.668 177.040 175.328 0.074 0.000 1.224 64 H CA 0.540 56.629 56.048 0.068 0.000 1.000 64 H CB 0.023 29.840 29.762 0.092 0.000 1.663 64 H HN 0.628 nan 8.280 nan 0.000 0.548 65 A N 0.911 123.799 122.820 0.114 0.000 2.816 65 A HA 0.022 4.342 4.320 0.000 0.000 0.346 65 A C 1.222 178.841 177.584 0.060 0.000 0.763 65 A CA 1.476 53.558 52.037 0.075 0.000 1.372 65 A CB -1.106 17.896 19.000 0.003 0.000 0.674 65 A HN 0.937 nan 8.150 nan 0.000 0.477 66 G N -2.135 106.583 108.800 -0.136 0.000 2.380 66 G HA2 0.557 4.517 3.960 0.000 0.000 0.250 66 G HA3 0.557 4.517 3.960 0.000 0.000 0.250 66 G C -0.816 173.447 174.900 -1.062 0.000 1.578 66 G CA 0.016 44.797 45.100 -0.532 0.000 0.974 66 G HN 1.543 nan 8.290 nan 0.000 0.680 67 R N 1.098 120.870 120.500 -1.213 0.000 2.707 67 R HA 0.802 5.142 4.340 0.000 0.000 0.272 67 R C -1.807 174.325 176.300 -0.280 0.000 1.011 67 R CA -1.174 54.535 56.100 -0.653 0.000 0.893 67 R CB 2.096 32.255 30.300 -0.235 0.000 1.233 67 R HN 0.642 nan 8.270 nan 0.000 0.464 68 L N 1.982 123.285 121.223 0.133 0.000 2.272 68 L HA 0.437 4.777 4.340 0.000 0.000 0.289 68 L C -1.171 175.857 176.870 0.263 0.000 1.032 68 L CA -0.569 54.461 54.840 0.318 0.000 0.810 68 L CB 1.952 44.262 42.059 0.418 0.000 1.205 68 L HN 0.549 nan 8.230 nan 0.000 0.422 69 V N 5.949 125.938 119.914 0.125 0.000 2.350 69 V HA 0.405 4.525 4.120 0.000 0.000 0.285 69 V C -0.235 175.909 176.094 0.083 0.000 1.014 69 V CA -0.526 61.847 62.300 0.122 0.000 0.831 69 V CB 0.821 32.664 31.823 0.034 0.000 1.000 69 V HN 0.460 nan 8.190 nan 0.000 0.433 70 F N 2.774 122.771 119.950 0.078 0.000 2.377 70 F HA 0.888 5.415 4.527 0.000 0.000 0.328 70 F C 1.033 176.844 175.800 0.019 0.000 1.094 70 F CA 0.525 58.563 58.000 0.064 0.000 1.093 70 F CB 1.827 40.900 39.000 0.122 0.000 1.214 70 F HN 0.722 nan 8.300 nan 0.000 0.518 71 G N 1.358 110.274 108.800 0.193 0.000 2.336 71 G HA2 0.348 4.308 3.960 0.000 0.000 0.286 71 G HA3 0.348 4.308 3.960 0.000 0.000 0.286 71 G C -2.233 172.702 174.900 0.059 0.000 1.269 71 G CA -0.967 44.195 45.100 0.103 0.000 0.873 71 G HN 0.289 nan 8.290 nan 0.000 0.494 72 I N 1.329 121.920 120.570 0.035 0.000 2.378 72 I HA 0.555 4.725 4.170 0.000 0.000 0.291 72 I C -0.363 175.759 176.117 0.008 0.000 0.992 72 I CA -0.818 60.494 61.300 0.021 0.000 1.154 72 I CB 1.147 39.159 38.000 0.020 0.000 1.315 72 I HN 0.487 nan 8.210 nan 0.000 0.448 73 L N 6.642 127.866 121.223 0.002 0.000 2.376 73 L HA 0.390 4.730 4.340 0.000 0.000 0.275 73 L C 0.160 177.031 176.870 0.001 0.000 0.987 73 L CA -0.411 54.427 54.840 -0.004 0.000 0.828 73 L CB 1.140 43.190 42.059 -0.016 0.000 1.249 73 L HN 0.797 nan 8.230 nan 0.000 0.409 74 N N 4.003 122.705 118.700 0.003 0.000 2.699 74 N HA -0.200 4.540 4.740 0.000 0.000 0.256 74 N C 0.711 176.226 175.510 0.008 0.000 0.993 74 N CA 1.319 54.372 53.050 0.006 0.000 0.759 74 N CB -0.726 37.766 38.487 0.008 0.000 0.906 74 N HN 1.132 nan 8.380 nan 0.000 0.541 75 G N -0.048 108.757 108.800 0.008 0.000 2.338 75 G HA2 -0.288 3.672 3.960 0.000 0.000 0.296 75 G HA3 -0.288 3.672 3.960 0.000 0.000 0.296 75 G C -0.126 174.781 174.900 0.012 0.000 1.040 75 G CA 0.706 45.812 45.100 0.010 0.000 1.004 75 G HN 0.761 nan 8.290 nan 0.000 0.509 76 R N -0.593 119.914 120.500 0.012 0.000 2.535 76 R HA 0.673 5.013 4.340 0.000 0.000 0.274 76 R C -0.068 176.239 176.300 0.012 0.000 1.090 76 R CA 0.055 56.163 56.100 0.013 0.000 0.930 76 R CB 0.969 31.276 30.300 0.012 0.000 1.223 76 R HN 1.044 nan 8.270 nan 0.000 0.441 77 A N 3.488 126.319 122.820 0.020 0.000 2.395 77 A HA 0.484 4.804 4.320 0.000 0.000 0.286 77 A C 0.049 177.636 177.584 0.006 0.000 1.193 77 A CA 0.074 52.130 52.037 0.031 0.000 0.852 77 A CB -0.935 18.096 19.000 0.052 0.000 1.118 77 A HN 0.928 nan 8.150 nan 0.000 0.524 78 C N 0.610 119.900 119.300 -0.017 0.000 3.285 78 C HA 0.857 5.317 4.460 0.000 0.000 0.320 78 C C -0.394 174.476 174.990 -0.200 0.000 1.411 78 C CA -0.812 58.144 59.018 -0.105 0.000 1.429 78 C CB 1.044 28.712 27.740 -0.120 0.000 1.812 78 C HN 1.054 nan 8.230 nan 0.000 0.454 79 V N 1.906 121.579 119.914 -0.402 0.000 2.531 79 V HA 0.710 4.830 4.120 0.000 0.000 0.301 79 V C -0.718 175.069 176.094 -0.512 0.000 1.034 79 V CA -0.353 61.547 62.300 -0.667 0.000 0.865 79 V CB 1.571 32.718 31.823 -1.126 0.000 0.995 79 V HN 0.953 nan 8.190 nan 0.000 0.424 80 M N 6.924 126.335 119.600 -0.316 0.000 2.456 80 M HA 0.576 5.056 4.480 0.000 0.000 0.324 80 M C -0.726 175.556 176.300 -0.029 0.000 1.124 80 M CA -0.487 54.710 55.300 -0.173 0.000 0.959 80 M CB 2.410 34.948 32.600 -0.104 0.000 1.692 80 M HN 0.454 nan 8.290 nan 0.000 0.444 81 M N 2.462 122.091 119.600 0.048 0.000 2.080 81 M HA 0.257 4.737 4.480 0.000 0.000 0.350 81 M C -0.487 175.876 176.300 0.106 0.000 1.173 81 M CA -0.206 55.214 55.300 0.200 0.000 1.052 81 M CB 1.184 33.921 32.600 0.228 0.000 1.577 81 M HN 0.569 nan 8.290 nan 0.000 0.455 82 Q N 3.257 123.099 119.800 0.071 0.000 2.398 82 Q HA 0.542 4.882 4.340 0.000 0.000 0.251 82 Q C -0.368 175.621 176.000 -0.019 0.000 0.999 82 Q CA -0.187 55.613 55.803 -0.005 0.000 0.874 82 Q CB 1.054 29.759 28.738 -0.055 0.000 1.215 82 Q HN 0.932 nan 8.270 nan 0.000 0.470 83 G N 3.198 112.015 108.800 0.030 0.000 3.225 83 G HA2 -0.149 3.811 3.960 0.000 0.000 0.686 83 G HA3 -0.149 3.811 3.960 0.000 0.000 0.686 83 G C -0.958 173.918 174.900 -0.041 0.000 1.105 83 G CA -0.342 44.786 45.100 0.048 0.000 0.831 83 G HN 0.823 nan 8.290 nan 0.000 0.578 84 R N 0.248 120.643 120.500 -0.176 0.000 3.029 84 R HA 0.932 5.272 4.340 0.000 0.000 0.239 84 R C -1.082 174.811 176.300 -0.678 0.000 1.351 84 R CA -1.141 54.627 56.100 -0.553 0.000 1.052 84 R CB 1.055 31.120 30.300 -0.391 0.000 1.354 84 R HN 0.423 nan 8.270 nan 0.000 0.499 85 F N 0.416 120.086 119.950 -0.466 0.000 2.482 85 F HA 0.489 5.016 4.527 0.000 0.000 0.331 85 F C 0.125 175.531 175.800 -0.658 0.000 1.115 85 F CA -0.687 56.928 58.000 -0.640 0.000 0.955 85 F CB 1.570 40.009 39.000 -0.934 0.000 1.136 85 F HN 0.307 nan 8.300 nan 0.000 0.452 86 H N 3.435 122.465 119.070 -0.068 0.000 2.679 86 H HA 0.283 4.839 4.556 0.000 0.000 0.367 86 H C 0.943 176.197 175.328 -0.123 0.000 1.162 86 H CA -0.708 55.216 56.048 -0.207 0.000 1.181 86 H CB 2.612 31.875 29.762 -0.832 0.000 1.693 86 H HN 0.777 nan 8.280 nan 0.000 0.538 87 M N 2.151 121.798 119.600 0.079 0.000 2.159 87 M HA -0.196 4.284 4.480 0.000 0.000 0.263 87 M C 1.498 177.790 176.300 -0.014 0.000 1.063 87 M CA 1.763 57.054 55.300 -0.015 0.000 1.110 87 M CB -0.225 32.343 32.600 -0.053 0.000 1.374 87 M HN 0.662 nan 8.290 nan 0.000 0.411 88 Y N -0.176 120.214 120.300 0.150 0.000 2.574 88 Y HA 0.041 4.591 4.550 0.000 0.000 0.294 88 Y C 1.404 177.339 175.900 0.057 0.000 1.142 88 Y CA 1.000 59.147 58.100 0.078 0.000 1.314 88 Y CB -1.385 37.120 38.460 0.075 0.000 0.991 88 Y HN 0.391 nan 8.280 nan 0.000 0.555 89 E N 0.172 120.336 120.200 -0.060 0.000 2.435 89 E HA 0.167 4.517 4.350 0.000 0.000 0.195 89 E C 1.586 178.063 176.600 -0.205 0.000 1.029 89 E CA 0.580 56.965 56.400 -0.026 0.000 0.865 89 E CB -0.114 29.636 29.700 0.083 0.000 0.833 89 E HN 0.750 nan 8.360 nan 0.000 0.510 90 G N 0.344 109.034 108.800 -0.183 0.000 2.211 90 G HA2 -0.223 3.737 3.960 0.000 0.000 0.201 90 G HA3 -0.223 3.737 3.960 0.000 0.000 0.201 90 G C -0.276 174.429 174.900 -0.326 0.000 0.997 90 G CA -0.461 44.483 45.100 -0.259 0.000 0.652 90 G HN 0.173 nan 8.290 nan 0.000 0.500 91 Y N 2.512 122.666 120.300 -0.244 0.000 2.319 91 Y HA 0.501 5.051 4.550 0.000 0.000 0.328 91 Y C -1.353 174.285 175.900 -0.436 0.000 1.133 91 Y CA -1.871 56.014 58.100 -0.358 0.000 1.265 91 Y CB 0.821 39.077 38.460 -0.341 0.000 1.218 91 Y HN 0.024 nan 8.280 nan 0.000 0.508 92 P HA 0.085 nan 4.420 nan 0.000 0.276 92 P C 0.129 177.165 177.300 -0.439 0.000 1.244 92 P CA -0.311 62.478 63.100 -0.518 0.000 0.801 92 P CB 0.875 32.194 31.700 -0.635 0.000 1.006 93 F N 0.221 120.071 119.950 -0.167 0.000 2.269 93 F HA -0.115 4.412 4.527 0.000 0.000 0.301 93 F C 2.330 178.102 175.800 -0.046 0.000 1.082 93 F CA 0.758 58.702 58.000 -0.093 0.000 1.360 93 F CB -1.408 37.587 39.000 -0.008 0.000 1.041 93 F HN 0.502 nan 8.300 nan 0.000 0.512 94 W N 0.522 121.931 121.300 0.181 0.000 2.468 94 W HA -0.072 4.588 4.660 0.000 0.000 0.262 94 W C 1.362 178.010 176.519 0.215 0.000 1.241 94 W CA 0.713 58.161 57.345 0.172 0.000 1.232 94 W CB -1.038 28.503 29.460 0.134 0.000 1.124 94 W HN 0.114 nan 8.180 nan 0.000 0.597 95 K N 0.751 120.978 120.400 -0.288 0.000 2.141 95 K HA -0.012 4.308 4.320 0.000 0.000 0.202 95 K C 2.208 178.662 176.600 -0.243 0.000 1.045 95 K CA 0.817 56.928 56.287 -0.294 0.000 0.971 95 K CB -0.266 31.834 32.500 -0.666 0.000 0.795 95 K HN -0.081 nan 8.250 nan 0.000 0.459 96 V N 1.924 121.711 119.914 -0.212 0.000 2.324 96 V HA -0.250 3.870 4.120 0.000 0.000 0.250 96 V C 2.277 178.341 176.094 -0.050 0.000 1.060 96 V CA 2.479 64.705 62.300 -0.124 0.000 1.042 96 V CB -0.799 31.045 31.823 0.035 0.000 0.650 96 V HN 0.546 nan 8.190 nan 0.000 0.450 97 T N -3.349 111.192 114.554 -0.022 0.000 3.144 97 T HA 0.029 4.379 4.350 0.000 0.000 0.249 97 T C 1.462 176.089 174.700 -0.122 0.000 1.089 97 T CA 0.093 62.144 62.100 -0.082 0.000 0.989 97 T CB -0.420 68.401 68.868 -0.077 0.000 0.992 97 T HN 0.349 nan 8.240 nan 0.000 0.540 98 F N 3.673 123.485 119.950 -0.229 0.000 2.126 98 F HA 0.088 4.615 4.527 0.000 0.000 0.299 98 F C -1.116 174.384 175.800 -0.499 0.000 1.096 98 F CA 0.644 58.460 58.000 -0.306 0.000 1.255 98 F CB -0.998 37.716 39.000 -0.478 0.000 0.997 98 F HN 0.194 nan 8.300 nan 0.000 0.479 99 P HA -0.156 nan 4.420 nan 0.000 0.218 99 P C 2.099 178.562 177.300 -1.394 0.000 1.148 99 P CA 1.646 64.111 63.100 -1.058 0.000 0.822 99 P CB -0.078 31.174 31.700 -0.748 0.000 0.784 100 V N 0.237 119.638 119.914 -0.855 0.000 2.252 100 V HA -0.286 3.834 4.120 0.000 0.000 0.249 100 V C 2.425 178.205 176.094 -0.524 0.000 1.056 100 V CA 1.997 63.952 62.300 -0.575 0.000 1.022 100 V CB -1.015 30.634 31.823 -0.290 0.000 0.641 100 V HN 0.091 nan 8.190 nan 0.000 0.445 101 R N -0.653 119.470 120.500 -0.627 0.000 2.148 101 R HA -0.082 4.258 4.340 0.000 0.000 0.227 101 R C 2.177 178.205 176.300 -0.453 0.000 1.103 101 R CA 1.052 56.734 56.100 -0.697 0.000 0.983 101 R CB -0.463 29.011 30.300 -1.375 0.000 0.874 101 R HN 0.407 nan 8.270 nan 0.000 0.451 102 V N 0.673 120.240 119.914 -0.577 0.000 2.343 102 V HA -0.237 3.883 4.120 0.000 0.000 0.247 102 V C 1.915 177.982 176.094 -0.045 0.000 1.051 102 V CA 1.638 63.739 62.300 -0.331 0.000 1.036 102 V CB -0.498 31.075 31.823 -0.417 0.000 0.654 102 V HN 0.133 nan 8.190 nan 0.000 0.451 103 F N 0.989 120.892 119.950 -0.078 0.000 2.095 103 F HA -0.179 4.348 4.527 0.000 0.000 0.298 103 F C 2.585 178.379 175.800 -0.011 0.000 1.104 103 F CA 1.876 59.857 58.000 -0.032 0.000 1.232 103 F CB -1.262 37.698 39.000 -0.066 0.000 0.987 103 F HN 0.155 nan 8.300 nan 0.000 0.475 104 R N 0.911 121.500 120.500 0.149 0.000 2.091 104 R HA -0.149 4.191 4.340 0.000 0.000 0.238 104 R C 1.963 178.342 176.300 0.131 0.000 1.136 104 R CA 1.539 57.709 56.100 0.117 0.000 0.959 104 R CB -0.851 29.500 30.300 0.086 0.000 0.856 104 R HN 0.351 nan 8.270 nan 0.000 0.437 105 L N 0.495 121.796 121.223 0.130 0.000 2.362 105 L HA -0.067 4.273 4.340 0.000 0.000 0.219 105 L C 2.013 178.958 176.870 0.124 0.000 1.134 105 L CA 0.701 55.613 54.840 0.120 0.000 0.807 105 L CB -0.219 41.895 42.059 0.091 0.000 0.927 105 L HN 0.324 nan 8.230 nan 0.000 0.447 106 L N -0.897 120.424 121.223 0.163 0.000 2.418 106 L HA 0.066 4.406 4.340 0.000 0.000 0.218 106 L C 1.592 178.548 176.870 0.142 0.000 1.125 106 L CA 0.870 55.819 54.840 0.183 0.000 0.835 106 L CB -0.227 41.995 42.059 0.271 0.000 0.953 106 L HN 0.480 nan 8.230 nan 0.000 0.454 107 G N -0.785 108.088 108.800 0.120 0.000 2.229 107 G HA2 -0.213 3.747 3.960 0.000 0.000 0.189 107 G HA3 -0.213 3.747 3.960 0.000 0.000 0.189 107 G C 0.264 175.209 174.900 0.075 0.000 1.000 107 G CA -0.171 44.983 45.100 0.089 0.000 0.663 107 G HN 0.001 nan 8.290 nan 0.000 0.493 108 V N 1.253 121.215 119.914 0.081 0.000 2.788 108 V HA 0.199 4.319 4.120 0.000 0.000 0.307 108 V C 1.318 177.439 176.094 0.044 0.000 1.069 108 V CA 1.592 63.915 62.300 0.039 0.000 1.173 108 V CB 1.219 33.045 31.823 0.005 0.000 0.925 108 V HN 0.517 nan 8.190 nan 0.000 0.492 109 E N 1.254 121.470 120.200 0.027 0.000 2.514 109 E HA 0.161 4.511 4.350 0.000 0.000 0.215 109 E C -0.070 176.548 176.600 0.030 0.000 0.946 109 E CA 0.120 56.538 56.400 0.031 0.000 1.038 109 E CB 1.067 30.785 29.700 0.030 0.000 1.069 109 E HN 0.719 nan 8.360 nan 0.000 0.503 110 T N 1.531 116.098 114.554 0.022 0.000 2.921 110 T HA 0.404 4.754 4.350 0.000 0.000 0.297 110 T C -1.425 173.261 174.700 -0.024 0.000 1.013 110 T CA -0.595 61.526 62.100 0.036 0.000 0.990 110 T CB 2.015 70.941 68.868 0.097 0.000 1.023 110 T HN -0.062 nan 8.240 nan 0.000 0.447 111 L N 4.569 125.766 121.223 -0.042 0.000 2.305 111 L HA 0.759 5.099 4.340 0.000 0.000 0.284 111 L C -1.107 175.613 176.870 -0.249 0.000 1.013 111 L CA -0.503 54.272 54.840 -0.108 0.000 0.819 111 L CB 1.214 43.245 42.059 -0.047 0.000 1.227 111 L HN 0.452 nan 8.230 nan 0.000 0.417 112 V N 5.955 125.661 119.914 -0.346 0.000 2.370 112 V HA 0.530 4.650 4.120 0.000 0.000 0.283 112 V C -0.189 175.722 176.094 -0.305 0.000 1.023 112 V CA -0.643 61.319 62.300 -0.563 0.000 0.857 112 V CB 1.489 32.954 31.823 -0.597 0.000 0.985 112 V HN 0.634 nan 8.190 nan 0.000 0.443 113 V N 1.940 121.696 119.914 -0.264 0.000 2.459 113 V HA 0.832 4.952 4.120 0.000 0.000 0.295 113 V C -0.125 175.901 176.094 -0.113 0.000 1.029 113 V CA -0.083 62.126 62.300 -0.150 0.000 0.874 113 V CB 1.597 33.350 31.823 -0.116 0.000 0.985 113 V HN 0.754 nan 8.190 nan 0.000 0.438 114 T N 5.733 120.248 114.554 -0.065 0.000 2.893 114 T HA 0.655 5.005 4.350 0.000 0.000 0.291 114 T C -0.652 174.034 174.700 -0.022 0.000 1.028 114 T CA -0.583 61.514 62.100 -0.004 0.000 0.995 114 T CB 1.369 70.253 68.868 0.026 0.000 1.051 114 T HN 1.177 nan 8.240 nan 0.000 0.470 115 N N -0.198 118.499 118.700 -0.005 0.000 2.961 115 N HA 0.586 5.326 4.740 0.000 0.000 0.245 115 N C -1.703 173.848 175.510 0.068 0.000 1.404 115 N CA -1.065 52.000 53.050 0.025 0.000 0.880 115 N CB 1.600 40.064 38.487 -0.038 0.000 1.461 115 N HN 0.652 nan 8.380 nan 0.000 0.510 116 A N 0.169 123.059 122.820 0.117 0.000 2.312 116 A HA 0.894 5.214 4.320 0.000 0.000 0.326 116 A C -0.493 177.184 177.584 0.155 0.000 1.172 116 A CA -0.186 51.924 52.037 0.121 0.000 0.821 116 A CB 1.041 20.117 19.000 0.128 0.000 1.166 116 A HN 1.000 nan 8.150 nan 0.000 0.493 117 A N 0.928 123.831 122.820 0.139 0.000 2.569 117 A HA 0.858 5.178 4.320 0.000 0.000 0.290 117 A C 0.069 177.700 177.584 0.078 0.000 1.136 117 A CA -0.148 51.980 52.037 0.151 0.000 0.710 117 A CB 1.105 20.264 19.000 0.265 0.000 1.303 117 A HN 1.856 nan 8.150 nan 0.000 0.413 118 G N -0.420 108.385 108.800 0.009 0.000 2.348 118 G HA2 0.535 4.495 3.960 0.000 0.000 0.312 118 G HA3 0.535 4.495 3.960 0.000 0.000 0.312 118 G C 0.246 175.177 174.900 0.052 0.000 1.126 118 G CA 0.139 45.227 45.100 -0.020 0.000 0.865 118 G HN 1.245 nan 8.290 nan 0.000 0.474 119 G N 0.715 109.577 108.800 0.102 0.000 2.355 119 G HA2 0.420 4.380 3.960 0.000 0.000 0.276 119 G HA3 0.420 4.380 3.960 0.000 0.000 0.276 119 G C 0.565 175.507 174.900 0.070 0.000 1.198 119 G CA -0.473 44.743 45.100 0.194 0.000 0.876 119 G HN 0.427 nan 8.290 nan 0.000 0.478 120 L N 2.063 123.301 121.223 0.025 0.000 2.537 120 L HA 0.190 4.530 4.340 0.000 0.000 0.224 120 L C 1.033 177.803 176.870 -0.166 0.000 1.065 120 L CA 0.323 55.127 54.840 -0.061 0.000 0.860 120 L CB -0.429 41.596 42.059 -0.056 0.000 1.086 120 L HN 0.475 nan 8.230 nan 0.000 0.482 121 N N 2.722 121.204 118.700 -0.364 0.000 2.405 121 N HA 0.044 4.784 4.740 0.000 0.000 0.260 121 N C -1.551 173.645 175.510 -0.524 0.000 1.152 121 N CA -1.256 51.389 53.050 -0.675 0.000 0.948 121 N CB 1.741 39.247 38.487 -1.635 0.000 1.111 121 N HN 0.005 nan 8.380 nan 0.000 0.485 122 P HA -0.178 nan 4.420 nan 0.000 0.217 122 P C 0.501 177.736 177.300 -0.109 0.000 1.148 122 P CA 1.289 64.300 63.100 -0.148 0.000 0.834 122 P CB 0.406 32.044 31.700 -0.103 0.000 0.783 123 N N -0.977 117.625 118.700 -0.164 0.000 2.453 123 N HA -0.040 4.700 4.740 0.000 0.000 0.183 123 N C 0.595 176.209 175.510 0.175 0.000 1.041 123 N CA 0.605 53.647 53.050 -0.014 0.000 0.900 123 N CB -0.422 38.064 38.487 -0.003 0.000 0.961 123 N HN 0.153 nan 8.380 nan 0.000 0.443 124 F N 1.742 121.696 119.950 0.007 0.000 2.418 124 F HA 0.251 4.778 4.527 0.000 0.000 0.341 124 F C 1.139 176.948 175.800 0.015 0.000 1.120 124 F CA -0.659 57.347 58.000 0.010 0.000 1.232 124 F CB 0.403 39.409 39.000 0.010 0.000 1.175 124 F HN -0.215 nan 8.300 nan 0.000 0.569 125 E N 0.649 120.980 120.200 0.219 0.000 2.312 125 E HA 0.353 4.703 4.350 0.000 0.000 0.267 125 E C -1.016 175.640 176.600 0.094 0.000 0.894 125 E CA -0.965 55.511 56.400 0.127 0.000 0.773 125 E CB 2.971 32.727 29.700 0.094 0.000 1.241 125 E HN 0.178 nan 8.360 nan 0.000 0.432 126 V N 1.187 121.148 119.914 0.079 0.000 2.694 126 V HA 0.173 4.293 4.120 0.000 0.000 0.306 126 V C 1.433 177.557 176.094 0.051 0.000 1.054 126 V CA 1.911 64.250 62.300 0.065 0.000 1.161 126 V CB 0.407 32.267 31.823 0.061 0.000 0.916 126 V HN 1.078 nan 8.190 nan 0.000 0.490 127 G N 3.124 111.950 108.800 0.042 0.000 2.213 127 G HA2 -0.186 3.774 3.960 0.000 0.000 0.236 127 G HA3 -0.186 3.774 3.960 0.000 0.000 0.236 127 G C 0.057 174.970 174.900 0.021 0.000 0.991 127 G CA 0.070 45.192 45.100 0.037 0.000 0.629 127 G HN 0.659 nan 8.290 nan 0.000 0.517 128 D N 0.418 120.811 120.400 -0.012 0.000 2.382 128 D HA 0.423 5.063 4.640 0.000 0.000 0.240 128 D C 0.765 176.983 176.300 -0.136 0.000 1.146 128 D CA 0.446 54.392 54.000 -0.090 0.000 0.897 128 D CB 0.738 41.434 40.800 -0.174 0.000 1.197 128 D HN 0.317 nan 8.370 nan 0.000 0.432 129 I N 2.234 122.676 120.570 -0.214 0.000 2.382 129 I HA 0.216 4.386 4.170 0.000 0.000 0.286 129 I C 0.060 176.021 176.117 -0.260 0.000 1.002 129 I CA -0.427 60.763 61.300 -0.183 0.000 1.135 129 I CB 1.637 39.523 38.000 -0.189 0.000 1.288 129 I HN 0.109 nan 8.210 nan 0.000 0.448 130 M N 7.664 127.152 119.600 -0.186 0.000 2.066 130 M HA 0.337 4.817 4.480 0.000 0.000 0.340 130 M C -1.063 175.210 176.300 -0.045 0.000 1.053 130 M CA -1.013 54.151 55.300 -0.226 0.000 0.983 130 M CB 1.384 33.774 32.600 -0.350 0.000 1.520 130 M HN 0.497 nan 8.290 nan 0.000 0.428 131 L N 7.012 128.217 121.223 -0.030 0.000 2.477 131 L HA 0.256 4.596 4.340 0.000 0.000 0.272 131 L C -0.717 176.005 176.870 -0.246 0.000 1.157 131 L CA 0.526 55.286 54.840 -0.133 0.000 0.889 131 L CB 0.164 42.144 42.059 -0.132 0.000 1.158 131 L HN 0.616 nan 8.230 nan 0.000 0.473 132 I N 6.585 126.911 120.570 -0.406 0.000 2.505 132 I HA 0.076 4.246 4.170 0.000 0.000 0.287 132 I C 1.306 177.083 176.117 -0.566 0.000 1.104 132 I CA 0.214 61.213 61.300 -0.501 0.000 1.387 132 I CB 0.318 37.892 38.000 -0.710 0.000 1.404 132 I HN 0.792 nan 8.210 nan 0.000 0.528 133 R N 3.180 123.463 120.500 -0.361 0.000 2.206 133 R HA 0.088 4.428 4.340 0.000 0.000 0.198 133 R C -0.120 176.087 176.300 -0.155 0.000 0.986 133 R CA 0.603 56.589 56.100 -0.190 0.000 1.029 133 R CB 0.467 30.737 30.300 -0.051 0.000 0.966 133 R HN 0.733 nan 8.270 nan 0.000 0.487 134 D N -1.442 118.801 120.400 -0.261 0.000 2.725 134 D HA 0.139 4.779 4.640 0.000 0.000 0.292 134 D C -1.613 174.675 176.300 -0.019 0.000 1.288 134 D CA -0.492 53.480 54.000 -0.047 0.000 0.784 134 D CB 1.105 41.917 40.800 0.019 0.000 1.308 134 D HN 0.258 nan 8.370 nan 0.000 0.429 135 H N -0.865 118.324 119.070 0.199 0.000 2.985 135 H HA 0.695 5.251 4.556 0.000 0.000 0.360 135 H C -0.981 174.407 175.328 0.100 0.000 1.221 135 H CA -1.027 55.123 56.048 0.171 0.000 1.121 135 H CB 1.337 31.273 29.762 0.290 0.000 1.854 135 H HN 0.264 nan 8.280 nan 0.000 0.551 136 I N 1.786 122.543 120.570 0.310 0.000 2.447 136 I HA 0.139 4.309 4.170 0.000 0.000 0.287 136 I C -0.281 175.790 176.117 -0.077 0.000 1.023 136 I CA -0.445 60.928 61.300 0.122 0.000 1.083 136 I CB 1.767 39.778 38.000 0.018 0.000 1.245 136 I HN 0.620 nan 8.210 nan 0.000 0.434 137 N N 6.925 125.498 118.700 -0.211 0.000 2.767 137 N HA 0.274 5.014 4.740 0.000 0.000 0.238 137 N C 0.978 176.113 175.510 -0.625 0.000 1.083 137 N CA -0.325 52.505 53.050 -0.367 0.000 0.964 137 N CB 0.700 39.020 38.487 -0.278 0.000 1.252 137 N HN 0.658 nan 8.380 nan 0.000 0.512 138 L N 3.000 123.934 121.223 -0.481 0.000 2.046 138 L HA -0.078 4.262 4.340 0.000 0.000 0.208 138 L C -0.677 176.075 176.870 -0.197 0.000 1.077 138 L CA 1.321 55.896 54.840 -0.442 0.000 0.747 138 L CB -1.451 40.499 42.059 -0.182 0.000 0.896 138 L HN 0.440 nan 8.230 nan 0.000 0.432 139 P HA -0.130 nan 4.420 nan 0.000 0.216 139 P C 1.612 178.980 177.300 0.114 0.000 1.150 139 P CA 1.661 64.819 63.100 0.098 0.000 0.837 139 P CB -0.199 31.656 31.700 0.259 0.000 0.786 140 G N -1.073 107.742 108.800 0.026 0.000 2.450 140 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 140 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 140 G C 1.150 176.192 174.900 0.236 0.000 1.130 140 G CA 0.417 45.569 45.100 0.088 0.000 0.760 140 G HN 0.123 nan 8.290 nan 0.000 0.557 141 F N 2.052 122.048 119.950 0.078 0.000 2.216 141 F HA -0.043 4.484 4.527 0.000 0.000 0.300 141 F C 2.929 178.768 175.800 0.064 0.000 1.085 141 F CA 0.943 58.982 58.000 0.066 0.000 1.326 141 F CB -0.731 38.302 39.000 0.055 0.000 1.027 141 F HN 0.288 nan 8.300 nan 0.000 0.497 142 S N -1.321 114.534 115.700 0.258 0.000 2.575 142 S HA 0.419 4.889 4.470 0.000 0.000 0.215 142 S C 1.668 176.352 174.600 0.140 0.000 0.966 142 S CA 0.429 58.728 58.200 0.166 0.000 0.911 142 S CB 0.110 63.388 63.200 0.130 0.000 0.780 142 S HN 0.546 nan 8.310 nan 0.000 0.514 143 G N 0.571 109.468 108.800 0.162 0.000 2.195 143 G HA2 -0.184 3.776 3.960 0.000 0.000 0.224 143 G HA3 -0.184 3.776 3.960 0.000 0.000 0.224 143 G C -0.141 174.852 174.900 0.155 0.000 0.990 143 G CA -0.341 44.844 45.100 0.142 0.000 0.639 143 G HN 0.466 nan 8.290 nan 0.000 0.514 144 Q N 0.707 120.616 119.800 0.182 0.000 2.324 144 Q HA 0.427 4.767 4.340 0.000 0.000 0.257 144 Q C -0.112 176.119 176.000 0.385 0.000 1.080 144 Q CA 0.411 56.361 55.803 0.245 0.000 0.907 144 Q CB 0.641 29.509 28.738 0.216 0.000 1.274 144 Q HN 0.646 nan 8.270 nan 0.000 0.434 145 N N 2.760 121.682 118.700 0.369 0.000 2.493 145 N HA 0.205 4.945 4.740 0.000 0.000 0.279 145 N C -2.177 173.492 175.510 0.265 0.000 1.082 145 N CA -1.186 52.021 53.050 0.262 0.000 0.963 145 N CB 1.743 40.314 38.487 0.140 0.000 1.627 145 N HN 0.053 nan 8.380 nan 0.000 0.499 146 P HA -0.108 nan 4.420 nan 0.000 0.226 146 P C 0.564 177.924 177.300 0.100 0.000 1.146 146 P CA 1.003 64.223 63.100 0.200 0.000 0.773 146 P CB 0.323 32.059 31.700 0.061 0.000 0.772 147 L N -1.618 119.617 121.223 0.019 0.000 2.607 147 L HA 0.204 4.544 4.340 0.000 0.000 0.228 147 L C 1.574 178.434 176.870 -0.016 0.000 1.123 147 L CA -0.463 54.334 54.840 -0.072 0.000 0.890 147 L CB -0.262 41.695 42.059 -0.170 0.000 1.103 147 L HN -0.122 nan 8.230 nan 0.000 0.468 148 R N 1.397 121.930 120.500 0.054 0.000 2.585 148 R HA 0.347 4.687 4.340 0.000 0.000 0.275 148 R C 0.223 176.537 176.300 0.022 0.000 1.018 148 R CA 1.065 57.197 56.100 0.054 0.000 1.072 148 R CB 0.262 30.620 30.300 0.097 0.000 0.953 148 R HN 0.229 nan 8.270 nan 0.000 0.419 149 G N 4.080 112.881 108.800 0.000 0.000 2.423 149 G HA2 -0.128 3.832 3.960 0.000 0.000 0.684 149 G HA3 -0.128 3.832 3.960 0.000 0.000 0.684 149 G C -2.719 172.165 174.900 -0.027 0.000 1.309 149 G CA -0.840 44.247 45.100 -0.021 0.000 0.950 149 G HN 0.602 nan 8.290 nan 0.000 0.587 150 P HA 0.203 nan 4.420 nan 0.000 0.266 150 P C -0.096 177.193 177.300 -0.019 0.000 1.195 150 P CA -0.117 62.968 63.100 -0.026 0.000 0.768 150 P CB 0.541 32.229 31.700 -0.019 0.000 0.838 151 N N 1.838 120.518 118.700 -0.033 0.000 2.513 151 N HA 0.027 4.768 4.740 0.000 0.000 0.268 151 N C -0.272 175.264 175.510 0.044 0.000 1.180 151 N CA -0.067 52.979 53.050 -0.006 0.000 0.948 151 N CB 0.339 38.807 38.487 -0.032 0.000 1.083 151 N HN 0.281 nan 8.380 nan 0.000 0.455 152 E N 2.343 122.616 120.200 0.121 0.000 1.993 152 E HA 0.090 4.440 4.350 0.000 0.000 0.271 152 E C 0.155 176.812 176.600 0.096 0.000 1.008 152 E CA -0.123 56.354 56.400 0.128 0.000 0.814 152 E CB 0.154 30.033 29.700 0.299 0.000 1.098 152 E HN 0.521 nan 8.360 nan 0.000 0.407 153 E N 3.673 123.860 120.200 -0.021 0.000 2.267 153 E HA -0.202 4.148 4.350 0.000 0.000 0.197 153 E C 1.124 177.637 176.600 -0.144 0.000 0.998 153 E CA 0.684 57.047 56.400 -0.062 0.000 0.830 153 E CB 0.056 29.707 29.700 -0.081 0.000 0.751 153 E HN 0.474 nan 8.360 nan 0.000 0.491 154 R N -0.508 119.807 120.500 -0.307 0.000 2.237 154 R HA -0.052 4.288 4.340 0.000 0.000 0.219 154 R C 1.581 177.663 176.300 -0.363 0.000 1.080 154 R CA 0.827 56.633 56.100 -0.490 0.000 0.995 154 R CB -0.011 29.643 30.300 -1.076 0.000 0.875 154 R HN 0.120 nan 8.270 nan 0.000 0.462 155 F N -1.391 118.512 119.950 -0.078 0.000 2.383 155 F HA 0.328 4.855 4.527 0.000 0.000 0.287 155 F C 1.393 177.055 175.800 -0.230 0.000 1.069 155 F CA 0.694 58.666 58.000 -0.046 0.000 1.402 155 F CB 0.204 39.244 39.000 0.067 0.000 1.116 155 F HN -0.001 nan 8.300 nan 0.000 0.549 156 G N -0.757 107.942 108.800 -0.167 0.000 2.554 156 G HA2 0.461 4.421 3.960 0.000 0.000 0.306 156 G HA3 0.461 4.421 3.960 0.000 0.000 0.306 156 G C -1.505 173.208 174.900 -0.312 0.000 1.320 156 G CA -0.160 44.561 45.100 -0.633 0.000 0.800 156 G HN 0.129 nan 8.290 nan 0.000 0.481 157 V N -1.667 118.099 119.914 -0.247 0.000 3.170 157 V HA 0.701 4.821 4.120 0.000 0.000 0.309 157 V C 1.785 177.912 176.094 0.055 0.000 1.071 157 V CA -0.169 62.108 62.300 -0.037 0.000 1.063 157 V CB 1.492 33.308 31.823 -0.011 0.000 1.123 157 V HN 0.791 nan 8.190 nan 0.000 0.464 158 R N 1.284 121.731 120.500 -0.089 0.000 2.073 158 R HA 0.068 4.408 4.340 0.000 0.000 0.234 158 R C 0.590 176.621 176.300 -0.449 0.000 1.134 158 R CA 1.644 57.529 56.100 -0.359 0.000 0.952 158 R CB -0.872 29.027 30.300 -0.668 0.000 0.850 158 R HN 0.756 nan 8.270 nan 0.000 0.433 159 F N 3.010 123.011 119.950 0.085 0.000 2.389 159 F HA 0.397 4.924 4.527 0.000 0.000 0.327 159 F C -1.842 174.004 175.800 0.075 0.000 1.204 159 F CA -2.784 55.261 58.000 0.074 0.000 1.209 159 F CB 0.544 39.574 39.000 0.050 0.000 1.460 159 F HN 0.000 nan 8.300 nan 0.000 0.537 160 P HA 0.222 nan 4.420 nan 0.000 0.268 160 P C -0.315 177.065 177.300 0.133 0.000 1.205 160 P CA -0.127 63.068 63.100 0.159 0.000 0.771 160 P CB 1.306 33.111 31.700 0.176 0.000 0.858 161 A N 3.402 126.273 122.820 0.086 0.000 2.371 161 A HA 0.407 4.727 4.320 0.000 0.000 0.257 161 A C 0.869 178.476 177.584 0.037 0.000 1.089 161 A CA -0.249 51.824 52.037 0.061 0.000 0.794 161 A CB 0.118 19.140 19.000 0.037 0.000 1.029 161 A HN 0.522 nan 8.150 nan 0.000 0.488 162 M N 1.665 121.283 119.600 0.030 0.000 2.300 162 M HA 0.033 4.513 4.480 0.000 0.000 0.313 162 M C 1.861 178.137 176.300 -0.041 0.000 0.988 162 M CA 0.760 56.055 55.300 -0.008 0.000 1.012 162 M CB -0.771 31.846 32.600 0.028 0.000 1.586 162 M HN 0.923 nan 8.290 nan 0.000 0.562 163 S N 1.206 116.899 115.700 -0.011 0.000 2.383 163 S HA -0.127 4.343 4.470 0.000 0.000 0.229 163 S C 0.946 175.537 174.600 -0.015 0.000 1.030 163 S CA 1.669 59.864 58.200 -0.008 0.000 1.002 163 S CB -0.573 62.630 63.200 0.006 0.000 0.829 163 S HN 0.553 nan 8.310 nan 0.000 0.467 164 D N 0.739 121.123 120.400 -0.027 0.000 2.755 164 D HA 0.566 5.206 4.640 0.000 0.000 0.257 164 D C 1.152 177.408 176.300 -0.075 0.000 1.291 164 D CA 0.212 54.197 54.000 -0.025 0.000 0.836 164 D CB 0.198 40.989 40.800 -0.014 0.000 1.059 164 D HN 0.347 nan 8.370 nan 0.000 0.486 165 A N 0.083 122.809 122.820 -0.156 0.000 1.883 165 A HA -0.159 4.161 4.320 0.000 0.000 0.217 165 A C 0.347 177.654 177.584 -0.463 0.000 1.186 165 A CA 0.818 52.642 52.037 -0.355 0.000 0.624 165 A CB -0.781 17.880 19.000 -0.566 0.000 0.822 165 A HN 0.345 nan 8.150 nan 0.000 0.444 166 Y N 0.787 121.065 120.300 -0.036 0.000 2.425 166 Y HA 0.368 4.918 4.550 0.000 0.000 0.347 166 Y C 0.064 175.953 175.900 -0.019 0.000 0.976 166 Y CA -1.541 56.545 58.100 -0.023 0.000 1.190 166 Y CB 0.021 38.452 38.460 -0.049 0.000 1.136 166 Y HN 0.239 nan 8.280 nan 0.000 0.517 167 D N 2.888 123.332 120.400 0.074 0.000 2.570 167 D HA -0.063 4.577 4.640 0.000 0.000 0.243 167 D C 1.126 177.430 176.300 0.007 0.000 1.171 167 D CA 0.558 54.572 54.000 0.023 0.000 0.879 167 D CB 0.770 41.574 40.800 0.007 0.000 1.143 167 D HN 0.538 nan 8.370 nan 0.000 0.511 168 R N 2.897 123.401 120.500 0.007 0.000 2.083 168 R HA -0.142 4.198 4.340 0.000 0.000 0.237 168 R C 1.163 177.455 176.300 -0.012 0.000 1.137 168 R CA 1.351 57.456 56.100 0.008 0.000 0.951 168 R CB -0.146 30.161 30.300 0.012 0.000 0.851 168 R HN 0.579 nan 8.270 nan 0.000 0.434 169 D N 0.426 120.808 120.400 -0.030 0.000 2.097 169 D HA -0.141 4.499 4.640 0.000 0.000 0.195 169 D C 1.936 178.179 176.300 -0.095 0.000 0.989 169 D CA 1.178 55.150 54.000 -0.046 0.000 0.827 169 D CB -0.085 40.687 40.800 -0.046 0.000 0.966 169 D HN 0.089 nan 8.370 nan 0.000 0.456 170 M N 0.259 119.753 119.600 -0.176 0.000 2.296 170 M HA -0.046 4.434 4.480 0.000 0.000 0.265 170 M C 2.049 178.199 176.300 -0.251 0.000 1.064 170 M CA 0.938 56.025 55.300 -0.355 0.000 1.109 170 M CB -0.659 31.495 32.600 -0.744 0.000 1.396 170 M HN -0.015 nan 8.290 nan 0.000 0.430 171 R N -0.283 120.143 120.500 -0.124 0.000 2.115 171 R HA -0.106 4.234 4.340 0.000 0.000 0.230 171 R C 2.273 178.598 176.300 0.042 0.000 1.111 171 R CA 1.114 57.181 56.100 -0.054 0.000 0.976 171 R CB -0.112 30.192 30.300 0.006 0.000 0.870 171 R HN 0.514 nan 8.270 nan 0.000 0.445 172 Q N 0.381 120.209 119.800 0.048 0.000 2.049 172 Q HA -0.081 4.259 4.340 0.000 0.000 0.198 172 Q C 1.605 177.664 176.000 0.097 0.000 0.971 172 Q CA 1.215 57.079 55.803 0.101 0.000 0.833 172 Q CB 0.163 28.933 28.738 0.053 0.000 0.896 172 Q HN 0.221 nan 8.270 nan 0.000 0.434 173 K N 0.094 120.506 120.400 0.020 0.000 2.515 173 K HA 0.000 4.320 4.320 0.000 0.000 0.196 173 K C 1.692 178.327 176.600 0.058 0.000 1.038 173 K CA 0.678 56.977 56.287 0.020 0.000 0.967 173 K CB 0.129 32.599 32.500 -0.050 0.000 0.780 173 K HN 0.113 nan 8.250 nan 0.000 0.483 174 A N 0.967 123.819 122.820 0.053 0.000 1.903 174 A HA -0.090 4.230 4.320 0.000 0.000 0.213 174 A C 1.739 179.512 177.584 0.315 0.000 1.185 174 A CA 0.796 52.933 52.037 0.167 0.000 0.628 174 A CB -0.347 18.714 19.000 0.101 0.000 0.830 174 A HN 0.194 nan 8.150 nan 0.000 0.446 175 H N 0.336 119.549 119.070 0.239 0.000 2.326 175 H HA -0.026 4.530 4.556 0.000 0.000 0.301 175 H C 2.460 177.922 175.328 0.223 0.000 1.081 175 H CA 1.641 57.817 56.048 0.214 0.000 1.334 175 H CB -0.333 29.498 29.762 0.115 0.000 1.385 175 H HN 0.452 nan 8.280 nan 0.000 0.504 176 S N -0.190 115.685 115.700 0.292 0.000 2.419 176 S HA -0.109 4.361 4.470 0.000 0.000 0.235 176 S C 2.062 176.779 174.600 0.195 0.000 1.019 176 S CA 1.527 59.843 58.200 0.193 0.000 0.982 176 S CB -0.151 63.126 63.200 0.129 0.000 0.789 176 S HN 0.434 nan 8.310 nan 0.000 0.490 177 T N 0.498 115.208 114.554 0.260 0.000 3.044 177 T HA 0.018 4.368 4.350 0.000 0.000 0.255 177 T C 1.227 176.116 174.700 0.314 0.000 1.073 177 T CA 0.128 62.391 62.100 0.271 0.000 1.125 177 T CB -0.102 68.952 68.868 0.311 0.000 0.908 177 T HN 0.615 nan 8.240 nan 0.000 0.480 178 W N 2.420 123.812 121.300 0.153 0.000 2.381 178 W HA -0.025 4.635 4.660 0.000 0.000 0.301 178 W C 0.392 176.875 176.519 -0.060 0.000 1.205 178 W CA 0.655 57.939 57.345 -0.102 0.000 1.285 178 W CB -0.005 29.349 29.460 -0.177 0.000 1.133 178 W HN -0.038 nan 8.180 nan 0.000 0.521 179 K N 1.556 122.065 120.400 0.182 0.000 2.878 179 K HA -0.041 4.279 4.320 0.000 0.000 0.242 179 K C 0.294 176.881 176.600 -0.023 0.000 0.985 179 K CA 0.788 57.113 56.287 0.064 0.000 1.168 179 K CB -0.641 31.944 32.500 0.141 0.000 0.993 179 K HN 0.514 nan 8.250 nan 0.000 0.476 180 Q N -0.837 118.909 119.800 -0.090 0.000 2.038 180 Q HA 0.298 4.638 4.340 0.000 0.000 0.240 180 Q C 0.674 176.584 176.000 -0.149 0.000 0.831 180 Q CA 0.000 55.757 55.803 -0.076 0.000 1.068 180 Q CB 0.685 29.419 28.738 -0.006 0.000 1.241 180 Q HN 0.190 nan 8.270 nan 0.000 0.435 181 M N -0.817 118.605 119.600 -0.296 0.000 2.114 181 M HA 0.216 4.696 4.480 0.000 0.000 0.325 181 M C 0.582 176.656 176.300 -0.377 0.000 0.946 181 M CA 0.336 55.418 55.300 -0.363 0.000 1.137 181 M CB 1.554 33.812 32.600 -0.569 0.000 2.041 181 M HN 0.283 nan 8.290 nan 0.000 0.692 182 G N 3.278 111.841 108.800 -0.395 0.000 3.295 182 G HA2 -0.152 3.808 3.960 0.000 0.000 0.627 182 G HA3 -0.152 3.808 3.960 0.000 0.000 0.627 182 G C -0.774 173.951 174.900 -0.292 0.000 0.847 182 G CA -0.136 44.795 45.100 -0.281 0.000 0.907 182 G HN 0.443 nan 8.290 nan 0.000 0.502 183 E N 1.339 121.411 120.200 -0.213 0.000 2.375 183 E HA 0.166 4.516 4.350 0.000 0.000 0.280 183 E C 0.758 177.354 176.600 -0.006 0.000 0.972 183 E CA -0.800 55.529 56.400 -0.118 0.000 0.782 183 E CB 1.342 30.966 29.700 -0.126 0.000 1.229 183 E HN 0.580 nan 8.360 nan 0.000 0.439 184 Q N 0.771 120.580 119.800 0.015 0.000 2.364 184 Q HA -0.086 4.254 4.340 0.000 0.000 0.209 184 Q C 0.127 176.174 176.000 0.078 0.000 0.977 184 Q CA 1.243 57.068 55.803 0.037 0.000 0.885 184 Q CB 0.322 29.076 28.738 0.028 0.000 0.941 184 Q HN 0.129 nan 8.270 nan 0.000 0.464 185 R N 0.892 121.464 120.500 0.120 0.000 2.407 185 R HA 0.165 4.505 4.340 0.000 0.000 0.303 185 R C -1.041 175.442 176.300 0.305 0.000 0.981 185 R CA -0.345 55.855 56.100 0.166 0.000 0.905 185 R CB 1.078 31.468 30.300 0.150 0.000 1.099 185 R HN 0.094 nan 8.270 nan 0.000 0.459 186 E N 2.360 122.692 120.200 0.219 0.000 2.322 186 E HA 0.179 4.529 4.350 0.000 0.000 0.257 186 E C -0.422 176.076 176.600 -0.171 0.000 1.155 186 E CA -0.774 55.774 56.400 0.246 0.000 0.936 186 E CB 0.493 30.262 29.700 0.115 0.000 1.130 186 E HN 0.250 nan 8.360 nan 0.000 0.465 187 L N 2.105 122.869 121.223 -0.765 0.000 2.361 187 L HA 0.071 4.411 4.340 0.000 0.000 0.278 187 L C -0.349 176.265 176.870 -0.428 0.000 1.113 187 L CA -0.121 53.981 54.840 -1.230 0.000 0.849 187 L CB 0.469 41.722 42.059 -1.343 0.000 1.155 187 L HN 0.520 nan 8.230 nan 0.000 0.452 188 Q N 4.366 123.924 119.800 -0.403 0.000 2.396 188 Q HA 0.308 4.648 4.340 0.000 0.000 0.221 188 Q C -0.601 175.321 176.000 -0.130 0.000 1.025 188 Q CA 0.014 55.670 55.803 -0.245 0.000 0.946 188 Q CB 1.364 29.772 28.738 -0.551 0.000 1.224 188 Q HN 0.608 nan 8.270 nan 0.000 0.539 189 E N -1.163 119.034 120.200 -0.005 0.000 2.335 189 E HA 0.600 4.950 4.350 0.000 0.000 0.280 189 E C -1.235 175.432 176.600 0.112 0.000 0.918 189 E CA -0.348 56.077 56.400 0.042 0.000 0.765 189 E CB 1.558 31.337 29.700 0.132 0.000 1.218 189 E HN 0.728 nan 8.360 nan 0.000 0.425 190 G N 1.204 110.040 108.800 0.060 0.000 2.340 190 G HA2 0.239 4.199 3.960 0.000 0.000 0.299 190 G HA3 0.239 4.199 3.960 0.000 0.000 0.299 190 G C -1.281 173.643 174.900 0.040 0.000 1.291 190 G CA -0.607 44.559 45.100 0.109 0.000 0.841 190 G HN 0.316 nan 8.290 nan 0.000 0.500 191 T N 0.809 115.409 114.554 0.077 0.000 2.744 191 T HA 0.448 4.798 4.350 0.000 0.000 0.291 191 T C -1.018 173.759 174.700 0.127 0.000 0.957 191 T CA 0.130 62.270 62.100 0.067 0.000 1.002 191 T CB 0.772 69.676 68.868 0.059 0.000 0.919 191 T HN 0.454 nan 8.240 nan 0.000 0.468 192 Y N 4.231 124.522 120.300 -0.014 0.000 2.326 192 Y HA 0.560 5.110 4.550 0.000 0.000 0.337 192 Y C -0.338 175.588 175.900 0.042 0.000 1.023 192 Y CA -0.646 57.459 58.100 0.009 0.000 1.143 192 Y CB 0.763 39.210 38.460 -0.022 0.000 1.183 192 Y HN 0.412 nan 8.280 nan 0.000 0.485 193 V N 9.014 128.696 119.914 -0.385 0.000 2.435 193 V HA 0.420 4.540 4.120 0.000 0.000 0.290 193 V C -0.709 175.028 176.094 -0.595 0.000 1.030 193 V CA -0.783 61.317 62.300 -0.332 0.000 0.881 193 V CB 1.377 33.082 31.823 -0.196 0.000 0.983 193 V HN 0.897 nan 8.190 nan 0.000 0.445 194 M N 7.525 126.905 119.600 -0.367 0.000 2.294 194 M HA 0.582 5.062 4.480 0.000 0.000 0.335 194 M C -1.709 174.512 176.300 -0.132 0.000 1.079 194 M CA -0.502 54.638 55.300 -0.266 0.000 0.982 194 M CB 1.438 33.987 32.600 -0.084 0.000 1.651 194 M HN 0.663 nan 8.290 nan 0.000 0.437 195 L N 2.799 123.982 121.223 -0.067 0.000 2.257 195 L HA 0.814 5.154 4.340 0.000 0.000 0.257 195 L C 0.970 177.895 176.870 0.091 0.000 1.033 195 L CA -0.645 54.195 54.840 -0.001 0.000 0.835 195 L CB -0.244 41.800 42.059 -0.025 0.000 1.398 195 L HN 0.697 nan 8.230 nan 0.000 0.429 196 G N -0.942 107.923 108.800 0.109 0.000 2.453 196 G HA2 0.388 4.348 3.960 0.000 0.000 0.215 196 G HA3 0.388 4.348 3.960 0.000 0.000 0.215 196 G C 0.689 175.723 174.900 0.222 0.000 1.201 196 G CA 0.885 46.084 45.100 0.166 0.000 0.784 196 G HN 1.423 nan 8.290 nan 0.000 0.545 197 G N -0.390 108.493 108.800 0.139 0.000 2.610 197 G HA2 -0.003 3.957 3.960 0.000 0.000 0.304 197 G HA3 -0.003 3.957 3.960 0.000 0.000 0.304 197 G C -1.515 173.435 174.900 0.083 0.000 1.309 197 G CA 0.147 45.305 45.100 0.097 0.000 0.906 197 G HN 0.474 nan 8.290 nan 0.000 0.521 198 P HA 0.138 nan 4.420 nan 0.000 0.261 198 P C 0.488 177.726 177.300 -0.103 0.000 1.268 198 P CA 0.362 63.313 63.100 -0.249 0.000 0.833 198 P CB -0.348 31.114 31.700 -0.396 0.000 1.231 199 N N -0.057 118.640 118.700 -0.005 0.000 2.503 199 N HA 0.093 4.833 4.740 0.000 0.000 0.267 199 N C -0.442 175.198 175.510 0.216 0.000 1.214 199 N CA -0.486 52.594 53.050 0.050 0.000 0.959 199 N CB 0.200 38.706 38.487 0.032 0.000 1.142 199 N HN -0.123 nan 8.380 nan 0.000 0.455 200 F N 0.041 119.950 119.950 -0.069 0.000 2.403 200 F HA 0.148 4.675 4.527 0.000 0.000 0.320 200 F C 1.148 176.928 175.800 -0.033 0.000 1.176 200 F CA -0.922 57.047 58.000 -0.051 0.000 1.206 200 F CB 0.737 39.712 39.000 -0.043 0.000 1.235 200 F HN 0.456 nan 8.300 nan 0.000 0.565 201 E N 0.456 120.683 120.200 0.046 0.000 2.404 201 E HA 0.109 4.459 4.350 0.000 0.000 0.261 201 E C 0.107 176.727 176.600 0.034 0.000 1.074 201 E CA -0.177 56.230 56.400 0.012 0.000 0.917 201 E CB 0.499 30.170 29.700 -0.048 0.000 0.965 201 E HN 0.496 nan 8.360 nan 0.000 0.433 202 T N -1.809 112.758 114.554 0.021 0.000 2.770 202 T HA 0.146 4.496 4.350 0.000 0.000 0.281 202 T C 1.187 175.894 174.700 0.011 0.000 0.981 202 T CA -0.766 61.347 62.100 0.021 0.000 0.955 202 T CB 0.612 69.489 68.868 0.016 0.000 1.060 202 T HN 0.125 nan 8.240 nan 0.000 0.531 203 V N 1.173 121.093 119.914 0.010 0.000 2.323 203 V HA -0.031 4.089 4.120 0.000 0.000 0.244 203 V C 3.089 179.183 176.094 0.000 0.000 1.041 203 V CA 2.173 64.476 62.300 0.005 0.000 1.025 203 V CB -1.504 30.323 31.823 0.006 0.000 0.656 203 V HN 1.070 nan 8.190 nan 0.000 0.451 204 A N -0.357 122.465 122.820 0.003 0.000 1.940 204 A HA -0.281 4.039 4.320 0.000 0.000 0.219 204 A C 2.103 179.687 177.584 0.000 0.000 1.176 204 A CA 2.165 54.203 52.037 0.002 0.000 0.631 204 A CB -0.447 18.556 19.000 0.005 0.000 0.814 204 A HN 0.675 nan 8.150 nan 0.000 0.446 205 E N -1.159 119.040 120.200 -0.001 0.000 2.107 205 E HA -0.121 4.229 4.350 0.000 0.000 0.191 205 E C 2.019 178.610 176.600 -0.016 0.000 0.982 205 E CA 1.008 57.405 56.400 -0.005 0.000 0.809 205 E CB -0.332 29.365 29.700 -0.005 0.000 0.756 205 E HN 0.654 nan 8.360 nan 0.000 0.459 206 C N 0.800 120.089 119.300 -0.019 0.000 2.425 206 C HA -0.082 4.378 4.460 0.000 0.000 0.277 206 C C 2.565 177.540 174.990 -0.026 0.000 1.280 206 C CA 0.644 59.644 59.018 -0.029 0.000 1.744 206 C CB -0.805 26.920 27.740 -0.025 0.000 1.989 206 C HN 0.368 nan 8.230 nan 0.000 0.491 207 R N 0.140 120.630 120.500 -0.017 0.000 2.073 207 R HA -0.050 4.290 4.340 0.000 0.000 0.229 207 R C 2.246 178.539 176.300 -0.013 0.000 1.120 207 R CA 0.982 57.073 56.100 -0.016 0.000 0.967 207 R CB -0.517 29.777 30.300 -0.010 0.000 0.862 207 R HN 0.530 nan 8.270 nan 0.000 0.436 208 L N 1.154 122.373 121.223 -0.008 0.000 1.989 208 L HA -0.225 4.115 4.340 0.000 0.000 0.211 208 L C 2.086 178.955 176.870 -0.002 0.000 1.071 208 L CA 1.548 56.388 54.840 -0.000 0.000 0.749 208 L CB -0.201 41.861 42.059 0.005 0.000 0.890 208 L HN 0.200 nan 8.230 nan 0.000 0.431 209 L N -0.542 120.673 121.223 -0.013 0.000 2.083 209 L HA -0.222 4.118 4.340 0.000 0.000 0.209 209 L C 2.784 179.640 176.870 -0.023 0.000 1.083 209 L CA 1.087 55.914 54.840 -0.022 0.000 0.752 209 L CB -0.546 41.486 42.059 -0.046 0.000 0.899 209 L HN 0.284 nan 8.230 nan 0.000 0.433 210 R N 0.859 121.341 120.500 -0.030 0.000 2.081 210 R HA -0.143 4.197 4.340 0.000 0.000 0.235 210 R C 1.918 178.204 176.300 -0.024 0.000 1.131 210 R CA 1.584 57.662 56.100 -0.037 0.000 0.960 210 R CB -0.566 29.707 30.300 -0.045 0.000 0.856 210 R HN 0.283 nan 8.270 nan 0.000 0.436 211 N N 0.011 118.703 118.700 -0.014 0.000 2.443 211 N HA -0.106 4.634 4.740 0.000 0.000 0.184 211 N C 0.987 176.503 175.510 0.008 0.000 1.037 211 N CA 0.694 53.742 53.050 -0.004 0.000 0.896 211 N CB -0.099 38.388 38.487 -0.001 0.000 0.959 211 N HN 0.160 nan 8.380 nan 0.000 0.442 212 L N -0.519 120.713 121.223 0.015 0.000 2.313 212 L HA 0.148 4.488 4.340 0.000 0.000 0.214 212 L C 1.433 178.322 176.870 0.032 0.000 1.119 212 L CA 0.896 55.758 54.840 0.036 0.000 0.809 212 L CB -0.857 41.230 42.059 0.047 0.000 0.933 212 L HN 0.332 nan 8.230 nan 0.000 0.449 213 G N -1.669 107.138 108.800 0.012 0.000 2.138 213 G HA2 -0.110 3.850 3.960 0.000 0.000 0.193 213 G HA3 -0.110 3.850 3.960 0.000 0.000 0.193 213 G C 0.399 175.304 174.900 0.008 0.000 0.998 213 G CA -0.042 45.063 45.100 0.009 0.000 0.668 213 G HN 0.621 nan 8.290 nan 0.000 0.516 214 A N -0.042 122.776 122.820 -0.003 0.000 2.363 214 A HA 0.655 4.975 4.320 0.000 0.000 0.270 214 A C 0.880 178.457 177.584 -0.011 0.000 1.121 214 A CA 0.373 52.406 52.037 -0.006 0.000 0.800 214 A CB 0.506 19.484 19.000 -0.037 0.000 1.052 214 A HN 0.158 nan 8.150 nan 0.000 0.493 215 D N 0.510 120.934 120.400 0.040 0.000 2.423 215 D HA 0.352 4.992 4.640 0.000 0.000 0.208 215 D C 0.276 176.699 176.300 0.206 0.000 1.068 215 D CA 1.253 55.300 54.000 0.077 0.000 0.860 215 D CB 0.730 41.663 40.800 0.223 0.000 0.992 215 D HN 0.688 nan 8.370 nan 0.000 0.504 216 A N 0.880 123.785 122.820 0.141 0.000 2.540 216 A HA 0.509 4.829 4.320 0.000 0.000 0.297 216 A C -0.651 176.890 177.584 -0.073 0.000 1.056 216 A CA -0.720 51.394 52.037 0.128 0.000 0.700 216 A CB 1.385 20.537 19.000 0.255 0.000 1.280 216 A HN -0.081 nan 8.150 nan 0.000 0.398 217 V N 0.094 119.930 119.914 -0.130 0.000 2.732 217 V HA 1.037 5.157 4.120 0.000 0.000 0.310 217 V C 0.479 176.420 176.094 -0.255 0.000 1.053 217 V CA 0.185 62.309 62.300 -0.293 0.000 0.957 217 V CB 1.096 32.779 31.823 -0.233 0.000 1.018 217 V HN 1.913 nan 8.190 nan 0.000 0.452 218 G N 2.089 110.670 108.800 -0.363 0.000 2.619 218 G HA2 0.606 4.566 3.960 0.000 0.000 0.305 218 G HA3 0.606 4.566 3.960 0.000 0.000 0.305 218 G C -0.933 173.992 174.900 0.042 0.000 1.330 218 G CA -0.751 44.340 45.100 -0.015 0.000 0.789 218 G HN 0.667 nan 8.290 nan 0.000 0.487 219 M N 1.136 120.896 119.600 0.267 0.000 2.848 219 M HA 0.347 4.827 4.480 0.000 0.000 0.420 219 M C 0.262 176.819 176.300 0.429 0.000 1.304 219 M CA -0.315 55.182 55.300 0.329 0.000 0.844 219 M CB 1.160 34.024 32.600 0.440 0.000 1.451 219 M HN 0.632 nan 8.290 nan 0.000 0.511 220 S N -2.483 113.458 115.700 0.400 0.000 3.121 220 S HA 0.701 5.171 4.470 0.000 0.000 0.324 220 S C 0.621 175.321 174.600 0.166 0.000 1.192 220 S CA 0.316 58.672 58.200 0.260 0.000 0.937 220 S CB 1.593 64.931 63.200 0.230 0.000 1.336 220 S HN 0.257 nan 8.310 nan 0.000 0.664 221 T N 0.264 114.818 114.554 -0.000 0.000 12.724 221 T HA -0.285 4.065 4.350 0.000 0.000 0.418 221 T C 1.411 176.058 174.700 -0.089 0.000 1.446 221 T CA 1.809 63.858 62.100 -0.085 0.000 2.382 221 T CB -2.319 66.398 68.868 -0.251 0.000 2.829 221 T HN 1.036 nan 8.240 nan 0.000 0.744 222 V N 3.043 122.923 119.914 -0.057 0.000 2.317 222 V HA -0.187 3.933 4.120 0.000 0.000 0.251 222 V C -0.153 175.753 176.094 -0.314 0.000 1.065 222 V CA 2.837 64.993 62.300 -0.241 0.000 1.049 222 V CB -1.608 29.990 31.823 -0.375 0.000 0.651 222 V HN 0.456 nan 8.190 nan 0.000 0.450 223 P HA -0.114 nan 4.420 nan 0.000 0.215 223 P C 1.555 178.699 177.300 -0.261 0.000 1.157 223 P CA 1.287 64.102 63.100 -0.475 0.000 0.863 223 P CB 0.002 31.281 31.700 -0.703 0.000 0.787 224 E N -0.733 119.352 120.200 -0.192 0.000 2.077 224 E HA -0.121 4.229 4.350 0.000 0.000 0.193 224 E C 2.017 178.548 176.600 -0.115 0.000 0.989 224 E CA 0.923 57.239 56.400 -0.139 0.000 0.800 224 E CB -1.248 28.386 29.700 -0.111 0.000 0.746 224 E HN -0.009 nan 8.360 nan 0.000 0.452 225 V N 0.837 120.691 119.914 -0.100 0.000 2.295 225 V HA -0.260 3.860 4.120 0.000 0.000 0.246 225 V C 2.153 178.200 176.094 -0.078 0.000 1.049 225 V CA 1.656 63.905 62.300 -0.085 0.000 1.024 225 V CB -0.404 31.402 31.823 -0.028 0.000 0.648 225 V HN 0.268 nan 8.190 nan 0.000 0.447 226 I N -0.465 120.064 120.570 -0.068 0.000 2.208 226 I HA -0.226 3.944 4.170 0.000 0.000 0.245 226 I C 2.324 178.417 176.117 -0.040 0.000 1.097 226 I CA 1.302 62.579 61.300 -0.037 0.000 1.363 226 I CB -0.348 37.612 38.000 -0.066 0.000 1.051 226 I HN 0.144 nan 8.210 nan 0.000 0.413 227 V N 0.717 120.578 119.914 -0.089 0.000 2.427 227 V HA -0.239 3.881 4.120 0.000 0.000 0.248 227 V C 2.625 178.677 176.094 -0.069 0.000 1.051 227 V CA 1.804 64.044 62.300 -0.099 0.000 1.048 227 V CB -0.846 30.879 31.823 -0.163 0.000 0.666 227 V HN 0.480 nan 8.190 nan 0.000 0.456 228 A N 0.043 122.817 122.820 -0.077 0.000 1.877 228 A HA -0.177 4.143 4.320 0.000 0.000 0.216 228 A C 2.340 179.900 177.584 -0.039 0.000 1.186 228 A CA 1.392 53.392 52.037 -0.061 0.000 0.620 228 A CB -0.441 18.521 19.000 -0.062 0.000 0.822 228 A HN 0.377 nan 8.150 nan 0.000 0.443 229 R N -0.625 119.851 120.500 -0.041 0.000 2.096 229 R HA -0.130 4.210 4.340 0.000 0.000 0.235 229 R C 2.117 178.420 176.300 0.004 0.000 1.127 229 R CA 1.497 57.578 56.100 -0.032 0.000 0.968 229 R CB -1.269 29.002 30.300 -0.049 0.000 0.861 229 R HN 0.852 nan 8.270 nan 0.000 0.440 230 H N 0.672 119.710 119.070 -0.054 0.000 2.387 230 H HA -0.118 4.438 4.556 0.000 0.000 0.299 230 H C 1.003 176.318 175.328 -0.021 0.000 1.099 230 H CA 1.879 57.905 56.048 -0.036 0.000 1.315 230 H CB 0.174 29.904 29.762 -0.053 0.000 1.380 230 H HN 0.316 nan 8.280 nan 0.000 0.513 231 C N -0.131 119.147 119.300 -0.037 0.000 2.435 231 C HA 0.592 5.052 4.460 0.000 0.000 0.326 231 C C 1.571 176.546 174.990 -0.025 0.000 1.328 231 C CA 0.077 59.071 59.018 -0.040 0.000 1.741 231 C CB -0.956 26.803 27.740 0.032 0.000 1.998 231 C HN 0.719 nan 8.230 nan 0.000 0.585 232 G N 1.168 109.940 108.800 -0.046 0.000 2.179 232 G HA2 -0.236 3.724 3.960 0.000 0.000 0.257 232 G HA3 -0.236 3.724 3.960 0.000 0.000 0.257 232 G C -0.122 174.772 174.900 -0.010 0.000 1.010 232 G CA 0.437 45.521 45.100 -0.027 0.000 0.736 232 G HN 0.727 nan 8.290 nan 0.000 0.513 233 L N -0.492 120.725 121.223 -0.010 0.000 2.418 233 L HA 0.480 4.820 4.340 0.000 0.000 0.265 233 L C 1.252 178.119 176.870 -0.006 0.000 1.143 233 L CA -0.964 53.876 54.840 0.001 0.000 0.809 233 L CB 0.951 43.013 42.059 0.004 0.000 1.124 233 L HN 0.313 nan 8.230 nan 0.000 0.456 234 R N 1.457 121.965 120.500 0.015 0.000 2.390 234 R HA 0.548 4.888 4.340 0.000 0.000 0.291 234 R C -1.403 174.926 176.300 0.048 0.000 1.070 234 R CA -0.363 55.755 56.100 0.031 0.000 1.014 234 R CB 1.066 31.401 30.300 0.059 0.000 1.007 234 R HN 0.423 nan 8.270 nan 0.000 0.466 235 V N 5.871 125.811 119.914 0.044 0.000 2.789 235 V HA 0.629 4.749 4.120 0.000 0.000 0.311 235 V C -0.917 175.298 176.094 0.203 0.000 1.073 235 V CA -0.596 61.727 62.300 0.038 0.000 0.921 235 V CB 1.548 33.299 31.823 -0.120 0.000 1.009 235 V HN 0.812 nan 8.190 nan 0.000 0.426 236 F N 1.257 121.184 119.950 -0.037 0.000 2.693 236 F HA 1.004 5.531 4.527 0.000 0.000 0.309 236 F C -0.200 175.502 175.800 -0.163 0.000 1.129 236 F CA -0.333 57.633 58.000 -0.056 0.000 0.948 236 F CB 1.807 40.733 39.000 -0.123 0.000 1.315 236 F HN 0.836 nan 8.300 nan 0.000 0.447 237 G N 0.659 109.277 108.800 -0.303 0.000 2.550 237 G HA2 0.655 4.615 3.960 0.000 0.000 0.293 237 G HA3 0.655 4.615 3.960 0.000 0.000 0.293 237 G C -2.544 171.790 174.900 -0.944 0.000 1.402 237 G CA -1.002 43.768 45.100 -0.551 0.000 0.784 237 G HN 0.671 nan 8.290 nan 0.000 0.482 238 F N -0.321 119.568 119.950 -0.102 0.000 2.601 238 F HA 0.726 5.253 4.527 0.000 0.000 0.309 238 F C 0.282 176.011 175.800 -0.120 0.000 1.089 238 F CA -0.910 57.034 58.000 -0.093 0.000 0.940 238 F CB 2.622 41.612 39.000 -0.017 0.000 1.273 238 F HN 0.352 nan 8.300 nan 0.000 0.450 239 S N 1.986 117.717 115.700 0.053 0.000 2.475 239 S HA 0.617 5.087 4.470 0.000 0.000 0.298 239 S C -1.030 173.597 174.600 0.046 0.000 1.119 239 S CA -0.589 57.624 58.200 0.021 0.000 1.085 239 S CB 1.468 64.689 63.200 0.036 0.000 1.028 239 S HN 0.606 nan 8.310 nan 0.000 0.489 240 L N 5.022 126.278 121.223 0.055 0.000 2.277 240 L HA 0.471 4.811 4.340 0.000 0.000 0.284 240 L C -0.804 176.089 176.870 0.039 0.000 1.028 240 L CA -0.747 54.116 54.840 0.039 0.000 0.835 240 L CB 0.228 42.319 42.059 0.055 0.000 1.215 240 L HN 0.505 nan 8.230 nan 0.000 0.425 241 I N 4.665 125.238 120.570 0.004 0.000 2.680 241 I HA -0.018 4.152 4.170 0.000 0.000 0.286 241 I C 1.541 177.691 176.117 0.056 0.000 1.144 241 I CA 0.467 61.788 61.300 0.035 0.000 1.370 241 I CB -0.130 37.880 38.000 0.016 0.000 1.420 241 I HN 0.706 nan 8.210 nan 0.000 0.540 242 T N 2.299 116.898 114.554 0.075 0.000 3.086 242 T HA 0.180 4.530 4.350 0.000 0.000 0.250 242 T C 0.356 175.109 174.700 0.089 0.000 1.074 242 T CA -0.244 61.904 62.100 0.081 0.000 0.988 242 T CB -0.324 68.602 68.868 0.096 0.000 0.988 242 T HN 0.738 nan 8.240 nan 0.000 0.530 243 N N -0.881 117.873 118.700 0.090 0.000 3.043 243 N HA 0.353 5.093 4.740 0.000 0.000 0.243 243 N C -2.062 173.498 175.510 0.084 0.000 1.347 243 N CA -1.266 51.839 53.050 0.092 0.000 0.896 243 N CB 1.228 39.787 38.487 0.120 0.000 1.501 243 N HN -0.063 nan 8.380 nan 0.000 0.504 244 K N 0.829 121.275 120.400 0.077 0.000 2.244 244 K HA 0.463 4.783 4.320 0.000 0.000 0.260 244 K C -0.863 175.765 176.600 0.046 0.000 0.951 244 K CA -0.967 55.360 56.287 0.067 0.000 0.826 244 K CB 2.483 35.021 32.500 0.064 0.000 1.108 244 K HN 0.314 nan 8.250 nan 0.000 0.433 245 V N 4.200 124.127 119.914 0.023 0.000 2.715 245 V HA 0.028 4.148 4.120 0.000 0.000 0.299 245 V C 0.470 176.570 176.094 0.010 0.000 1.054 245 V CA -0.231 62.071 62.300 0.003 0.000 1.077 245 V CB 0.631 32.437 31.823 -0.029 0.000 0.972 245 V HN 0.582 nan 8.190 nan 0.000 0.484 246 I N 6.572 127.153 120.570 0.018 0.000 2.363 246 I HA 0.160 4.330 4.170 0.000 0.000 0.292 246 I C 0.765 176.885 176.117 0.006 0.000 1.075 246 I CA 0.267 61.578 61.300 0.017 0.000 1.333 246 I CB 1.208 39.224 38.000 0.027 0.000 1.415 246 I HN 0.615 nan 8.210 nan 0.000 0.502 247 M N 4.364 123.964 119.600 -0.000 0.000 2.431 247 M HA 0.102 4.582 4.480 0.000 0.000 0.237 247 M C -0.104 176.194 176.300 -0.003 0.000 1.130 247 M CA 0.212 55.508 55.300 -0.006 0.000 1.002 247 M CB -0.847 31.744 32.600 -0.015 0.000 1.524 247 M HN 0.595 nan 8.290 nan 0.000 0.482 267 A N -0.390 122.449 122.820 0.031 0.000 2.606 267 A HA 0.736 5.056 4.320 0.000 0.000 0.230 267 A C 1.564 179.173 177.584 0.042 0.000 1.279 267 A CA 0.655 52.715 52.037 0.038 0.000 1.010 267 A CB 0.163 19.189 19.000 0.043 0.000 1.271 267 A HN 0.235 nan 8.150 nan 0.000 0.584 268 A N 0.662 123.504 122.820 0.037 0.000 1.898 268 A HA -0.061 4.259 4.320 0.000 0.000 0.214 268 A C 2.086 179.690 177.584 0.032 0.000 1.183 268 A CA 1.653 53.712 52.037 0.037 0.000 0.622 268 A CB -0.417 18.605 19.000 0.036 0.000 0.824 268 A HN 0.513 nan 8.150 nan 0.000 0.444 269 Q N 0.838 120.653 119.800 0.024 0.000 2.234 269 Q HA -0.198 4.142 4.340 0.000 0.000 0.206 269 Q C 1.720 177.733 176.000 0.022 0.000 0.980 269 Q CA 2.020 57.833 55.803 0.017 0.000 0.869 269 Q CB -0.590 28.153 28.738 0.008 0.000 0.912 269 Q HN 0.709 nan 8.270 nan 0.000 0.436 270 K N 0.775 121.192 120.400 0.028 0.000 1.973 270 K HA -0.065 4.255 4.320 0.000 0.000 0.212 270 K C 2.365 179.018 176.600 0.089 0.000 1.047 270 K CA 1.079 57.386 56.287 0.033 0.000 0.937 270 K CB -0.307 32.218 32.500 0.041 0.000 0.721 270 K HN 0.293 nan 8.250 nan 0.000 0.440 271 L N 1.368 122.649 121.223 0.097 0.000 2.051 271 L HA -0.285 4.055 4.340 0.000 0.000 0.214 271 L C 2.293 179.204 176.870 0.069 0.000 1.076 271 L CA 1.734 56.634 54.840 0.099 0.000 0.758 271 L CB -0.268 41.816 42.059 0.041 0.000 0.890 271 L HN 0.382 nan 8.230 nan 0.000 0.433 272 E N -0.604 119.622 120.200 0.043 0.000 2.033 272 E HA -0.327 4.023 4.350 0.000 0.000 0.199 272 E C 2.100 178.719 176.600 0.032 0.000 1.011 272 E CA 1.964 58.377 56.400 0.022 0.000 0.815 272 E CB -0.197 29.513 29.700 0.016 0.000 0.755 272 E HN 0.694 nan 8.360 nan 0.000 0.451 273 Q N 0.002 119.831 119.800 0.048 0.000 2.170 273 Q HA -0.183 4.157 4.340 0.000 0.000 0.203 273 Q C 2.110 178.179 176.000 0.115 0.000 0.976 273 Q CA 1.150 56.984 55.803 0.052 0.000 0.858 273 Q CB -0.420 28.334 28.738 0.027 0.000 0.907 273 Q HN 0.217 nan 8.270 nan 0.000 0.433 274 F N 2.204 122.121 119.950 -0.055 0.000 2.102 274 F HA -0.142 4.385 4.527 0.000 0.000 0.298 274 F C 2.069 177.834 175.800 -0.059 0.000 1.105 274 F CA 0.798 58.766 58.000 -0.054 0.000 1.239 274 F CB -0.535 38.434 39.000 -0.052 0.000 0.991 274 F HN -0.113 nan 8.300 nan 0.000 0.474 275 V N -0.434 119.382 119.914 -0.164 0.000 2.490 275 V HA -0.276 3.844 4.120 0.000 0.000 0.250 275 V C 2.469 178.514 176.094 -0.082 0.000 1.061 275 V CA 2.016 64.192 62.300 -0.208 0.000 1.064 275 V CB -0.834 30.916 31.823 -0.121 0.000 0.670 275 V HN 0.356 nan 8.190 nan 0.000 0.461 276 S N -0.343 115.338 115.700 -0.032 0.000 2.371 276 S HA -0.069 4.401 4.470 0.000 0.000 0.224 276 S C 1.923 176.525 174.600 0.003 0.000 1.029 276 S CA 0.860 59.056 58.200 -0.008 0.000 0.978 276 S CB -0.265 62.937 63.200 0.004 0.000 0.833 276 S HN 0.325 nan 8.310 nan 0.000 0.466 277 L N 1.867 123.101 121.223 0.018 0.000 1.989 277 L HA -0.065 4.275 4.340 0.000 0.000 0.211 277 L C 2.118 178.996 176.870 0.015 0.000 1.071 277 L CA 1.594 56.457 54.840 0.038 0.000 0.749 277 L CB -1.351 40.774 42.059 0.110 0.000 0.890 277 L HN 0.308 nan 8.230 nan 0.000 0.431 278 L N -0.934 120.265 121.223 -0.041 0.000 2.263 278 L HA -0.262 4.078 4.340 0.000 0.000 0.216 278 L C 2.614 179.508 176.870 0.040 0.000 1.111 278 L CA 1.274 56.099 54.840 -0.026 0.000 0.773 278 L CB -1.036 41.000 42.059 -0.039 0.000 0.906 278 L HN 0.327 nan 8.230 nan 0.000 0.439 279 M N -0.511 119.117 119.600 0.046 0.000 2.082 279 M HA -0.216 4.264 4.480 0.000 0.000 0.258 279 M C 2.458 178.780 176.300 0.036 0.000 1.069 279 M CA 2.057 57.389 55.300 0.053 0.000 1.102 279 M CB -1.345 31.272 32.600 0.028 0.000 1.336 279 M HN 0.291 nan 8.290 nan 0.000 0.404 280 A N -0.426 122.409 122.820 0.024 0.000 1.978 280 A HA -0.106 4.214 4.320 0.000 0.000 0.220 280 A C 2.272 179.863 177.584 0.011 0.000 1.170 280 A CA 1.991 54.039 52.037 0.017 0.000 0.636 280 A CB -0.733 18.278 19.000 0.017 0.000 0.810 280 A HN 0.561 nan 8.150 nan 0.000 0.448 281 S N -0.515 115.187 115.700 0.004 0.000 2.603 281 S HA 0.214 4.684 4.470 0.000 0.000 0.220 281 S C 0.538 175.115 174.600 -0.037 0.000 0.967 281 S CA -0.052 58.136 58.200 -0.020 0.000 0.920 281 S CB -0.282 62.895 63.200 -0.038 0.000 0.773 281 S HN 0.485 nan 8.310 nan 0.000 0.529 282 I N 4.461 125.029 120.570 -0.003 0.000 2.396 282 I HA 0.175 4.345 4.170 0.000 0.000 0.289 282 I C -1.812 174.312 176.117 0.011 0.000 1.056 282 I CA -2.320 58.988 61.300 0.013 0.000 1.365 282 I CB 0.738 38.787 38.000 0.082 0.000 1.407 282 I HN 0.025 nan 8.210 nan 0.000 0.509 283 P HA 0.042 nan 4.420 nan 0.000 0.271 283 P C 0.099 177.407 177.300 0.013 0.000 1.233 283 P CA 0.018 63.120 63.100 0.004 0.000 0.795 283 P CB 0.650 32.349 31.700 -0.001 0.000 0.936 284 V N 0.000 119.921 119.914 0.011 0.000 2.409 284 V HA 0.000 4.120 4.120 0.000 0.000 0.244 284 V CA 0.000 62.308 62.300 0.013 0.000 1.235 284 V CB 0.000 31.833 31.823 0.017 0.000 1.184 284 V HN 0.000 nan 8.190 nan 0.000 0.556