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 3hpx_1_B DATA FIRST_RESID 18 DATA SEQUENCE TIVKPAGPPR VGQPSWNPQR ASSMPVNRYR PFAEEVEPIR LRNRTWPDRV DATA SEQUENCE IDRAPLWCAV DLRDGNQALI DPMSPARKRR MFDLLVRMGY KEIEVGFPSA DATA SEQUENCE SQTDFDFVRE IIEQGAIPDD VTIQVLTQCR PELIERTFQA CSGAPRAIVH DATA SEQUENCE FYNSTSILQR RVVFRANRAE VQAIATDGAR KCVEQAAKYP GTQWRFEYSP DATA SEQUENCE ESYTGTELEY AKQVCDAVGE VIAPTPERPI IFNLPATVEM TTPNVYADSI DATA SEQUENCE EWMSRNLANR ESVILSLHPH NDRGTAVAAA ELGFAAGADR IEGCLFGNGE DATA SEQUENCE RTGNVCLVTL GLNLFSRGVD PQIDFSNIDE IRRTVEYCNQ LPVHERHPYG DATA SEQUENCE GDLVYTAFSG SHQDAINKGL DAMKLDADAA DCDVDDMLWQ VPYLPIDPRD DATA SEQUENCE VGRTYEAV 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 18 T HA 0.000 nan 4.350 nan 0.000 0.228 18 T C 0.000 174.701 174.700 0.002 0.000 1.109 18 T CA 0.000 62.101 62.100 0.002 0.000 1.349 18 T CB 0.000 68.869 68.868 0.002 0.000 0.612 19 I N 1.152 121.723 120.570 0.002 0.000 2.418 19 I HA 0.687 4.857 4.170 0.001 0.000 0.287 19 I C -0.053 176.065 176.117 0.002 0.000 1.008 19 I CA -1.041 60.260 61.300 0.002 0.000 1.104 19 I CB 1.367 39.367 38.000 0.000 0.000 1.264 19 I HN 0.821 nan 8.210 nan 0.000 0.438 20 V N 5.809 125.724 119.914 0.003 0.000 2.495 20 V HA 0.440 4.561 4.120 0.001 0.000 0.298 20 V C 0.157 176.252 176.094 0.003 0.000 1.031 20 V CA -1.157 61.145 62.300 0.003 0.000 0.871 20 V CB 1.643 33.468 31.823 0.003 0.000 0.988 20 V HN 0.711 nan 8.190 nan 0.000 0.432 21 K N 5.741 126.143 120.400 0.002 0.000 2.441 21 K HA 0.156 4.477 4.320 0.001 0.000 0.273 21 K C -2.088 174.514 176.600 0.002 0.000 1.090 21 K CA -0.592 55.697 56.287 0.003 0.000 1.158 21 K CB -0.122 32.379 32.500 0.003 0.000 0.847 21 K HN 0.705 nan 8.250 nan 0.000 0.483 22 P HA -0.106 nan 4.420 nan 0.000 0.261 22 P C -0.848 176.452 177.300 0.000 0.000 1.173 22 P CA 0.357 63.458 63.100 0.002 0.000 0.760 22 P CB 0.976 32.677 31.700 0.001 0.000 0.783 23 A N 2.872 125.692 122.820 -0.000 0.000 2.635 23 A HA 0.478 4.798 4.320 0.001 0.000 0.279 23 A C 0.953 178.536 177.584 -0.003 0.000 1.122 23 A CA 0.219 52.255 52.037 -0.001 0.000 0.965 23 A CB -0.082 18.917 19.000 -0.000 0.000 1.221 23 A HN 0.598 nan 8.150 nan 0.000 0.566 24 G N 0.996 109.794 108.800 -0.003 0.000 2.651 24 G HA2 0.479 4.440 3.960 0.001 0.000 0.260 24 G HA3 0.479 4.440 3.960 0.001 0.000 0.260 24 G C -2.353 172.542 174.900 -0.009 0.000 1.216 24 G CA -1.201 43.896 45.100 -0.004 0.000 0.913 24 G HN 0.176 nan 8.290 nan 0.000 0.535 25 P HA 0.193 nan 4.420 nan 0.000 0.272 25 P C -2.400 174.887 177.300 -0.022 0.000 1.230 25 P CA -0.939 62.151 63.100 -0.016 0.000 0.788 25 P CB 0.464 32.155 31.700 -0.015 0.000 0.949 26 P HA 0.182 nan 4.420 nan 0.000 0.273 26 P C -0.082 177.193 177.300 -0.042 0.000 1.250 26 P CA -0.201 62.873 63.100 -0.044 0.000 0.793 26 P CB 0.570 32.233 31.700 -0.062 0.000 1.011 27 R N -0.270 120.200 120.500 -0.049 0.000 2.641 27 R HA 0.281 4.622 4.340 0.001 0.000 0.269 27 R C -0.183 176.088 176.300 -0.048 0.000 1.074 27 R CA -0.878 55.196 56.100 -0.042 0.000 1.133 27 R CB -0.263 30.012 30.300 -0.042 0.000 1.029 27 R HN 0.194 nan 8.270 nan 0.000 0.488 28 V N 2.427 122.320 119.914 -0.036 0.000 2.557 28 V HA 0.065 4.185 4.120 0.001 0.000 0.301 28 V C 1.567 177.634 176.094 -0.044 0.000 1.026 28 V CA 1.869 64.148 62.300 -0.035 0.000 1.137 28 V CB 0.362 32.171 31.823 -0.023 0.000 0.917 28 V HN 1.130 nan 8.190 nan 0.000 0.484 29 G N 3.270 112.038 108.800 -0.053 0.000 2.225 29 G HA2 -0.290 3.671 3.960 0.001 0.000 0.254 29 G HA3 -0.290 3.671 3.960 0.001 0.000 0.254 29 G C 0.377 175.213 174.900 -0.107 0.000 0.988 29 G CA 0.374 45.436 45.100 -0.063 0.000 0.625 29 G HN 0.804 nan 8.290 nan 0.000 0.527 30 Q N 1.757 121.481 119.800 -0.126 0.000 2.274 30 Q HA 0.407 4.748 4.340 0.001 0.000 0.280 30 Q C -1.922 173.910 176.000 -0.281 0.000 1.047 30 Q CA -1.157 54.526 55.803 -0.200 0.000 0.907 30 Q CB 0.543 29.182 28.738 -0.164 0.000 1.171 30 Q HN 0.302 nan 8.270 nan 0.000 0.381 31 P HA -0.031 nan 4.420 nan 0.000 0.271 31 P C 0.066 177.007 177.300 -0.598 0.000 1.218 31 P CA -0.069 62.654 63.100 -0.627 0.000 0.780 31 P CB 1.001 31.976 31.700 -1.209 0.000 0.901 32 S N 1.650 117.142 115.700 -0.347 0.000 2.474 32 S HA -0.108 4.363 4.470 0.001 0.000 0.235 32 S C 1.416 175.966 174.600 -0.083 0.000 0.997 32 S CA 0.185 58.287 58.200 -0.164 0.000 0.949 32 S CB -0.982 62.188 63.200 -0.050 0.000 0.766 32 S HN 0.708 nan 8.310 nan 0.000 0.517 33 W N 1.452 122.754 121.300 0.004 0.000 2.825 33 W HA 0.308 4.969 4.660 0.001 0.000 0.243 33 W C 0.257 176.779 176.519 0.004 0.000 1.293 33 W CA -0.284 57.064 57.345 0.004 0.000 1.403 33 W CB -0.828 28.635 29.460 0.004 0.000 1.134 33 W HN 0.275 nan 8.180 nan 0.000 0.666 34 N N 2.574 121.177 118.700 -0.161 0.000 2.558 34 N HA 0.207 4.948 4.740 0.001 0.000 0.242 34 N C -2.192 173.277 175.510 -0.069 0.000 0.979 34 N CA -2.300 50.693 53.050 -0.095 0.000 0.931 34 N CB 1.471 39.741 38.487 -0.360 0.000 1.122 34 N HN -0.243 nan 8.380 nan 0.000 0.508 35 P HA 0.063 nan 4.420 nan 0.000 0.249 35 P C -0.175 177.120 177.300 -0.008 0.000 1.229 35 P CA 0.285 63.384 63.100 -0.002 0.000 0.788 35 P CB 0.230 31.945 31.700 0.025 0.000 1.072 36 Q N 0.625 120.418 119.800 -0.012 0.000 2.386 36 Q HA 0.133 4.474 4.340 0.001 0.000 0.282 36 Q C 0.314 176.302 176.000 -0.020 0.000 1.050 36 Q CA 0.382 56.179 55.803 -0.010 0.000 0.918 36 Q CB 0.517 29.251 28.738 -0.007 0.000 1.266 36 Q HN 0.057 nan 8.270 nan 0.000 0.423 37 R N 0.213 120.706 120.500 -0.012 0.000 2.888 37 R HA 0.587 4.928 4.340 0.001 0.000 0.266 37 R C -1.011 175.284 176.300 -0.009 0.000 1.020 37 R CA -0.989 55.103 56.100 -0.013 0.000 0.963 37 R CB 1.343 31.637 30.300 -0.009 0.000 1.197 37 R HN 0.709 nan 8.270 nan 0.000 0.481 38 A N 1.218 124.033 122.820 -0.009 0.000 2.440 38 A HA 0.296 4.617 4.320 0.001 0.000 0.251 38 A C 0.600 178.185 177.584 0.001 0.000 1.089 38 A CA -0.059 51.975 52.037 -0.004 0.000 0.779 38 A CB 0.024 19.023 19.000 -0.003 0.000 1.022 38 A HN 0.743 nan 8.150 nan 0.000 0.492 39 S N 1.381 117.083 115.700 0.004 0.000 2.669 39 S HA 0.389 4.859 4.470 0.001 0.000 0.270 39 S C 0.804 175.411 174.600 0.010 0.000 1.225 39 S CA 0.059 58.263 58.200 0.006 0.000 0.991 39 S CB 1.076 64.280 63.200 0.006 0.000 0.987 39 S HN 1.389 nan 8.310 nan 0.000 0.552 40 S N 0.422 116.129 115.700 0.012 0.000 2.660 40 S HA 0.239 4.710 4.470 0.001 0.000 0.227 40 S C 0.513 175.128 174.600 0.026 0.000 0.948 40 S CA -0.626 57.584 58.200 0.017 0.000 0.948 40 S CB -0.597 62.611 63.200 0.014 0.000 0.779 40 S HN 0.621 nan 8.310 nan 0.000 0.487 41 M N 3.827 123.443 119.600 0.027 0.000 2.260 41 M HA 0.148 4.629 4.480 0.001 0.000 0.348 41 M C -2.274 174.066 176.300 0.066 0.000 1.342 41 M CA -1.783 53.542 55.300 0.040 0.000 1.040 41 M CB -0.746 31.869 32.600 0.026 0.000 1.810 41 M HN 0.058 nan 8.290 nan 0.000 0.453 42 P HA 0.089 nan 4.420 nan 0.000 0.230 42 P C 1.050 178.463 177.300 0.189 0.000 1.791 42 P CA -0.116 63.051 63.100 0.112 0.000 1.020 42 P CB -0.698 31.062 31.700 0.100 0.000 1.977 43 V N 0.346 120.355 119.914 0.157 0.000 2.568 43 V HA -0.297 3.824 4.120 0.001 0.000 0.253 43 V C 1.949 178.144 176.094 0.169 0.000 1.072 43 V CA 2.113 64.531 62.300 0.197 0.000 1.084 43 V CB -1.748 30.139 31.823 0.106 0.000 0.676 43 V HN 0.253 nan 8.190 nan 0.000 0.469 44 N N 1.893 120.640 118.700 0.080 0.000 2.348 44 N HA -0.237 4.504 4.740 0.001 0.000 0.185 44 N C 1.712 177.192 175.510 -0.049 0.000 1.019 44 N CA 1.836 54.898 53.050 0.020 0.000 0.880 44 N CB -0.918 37.570 38.487 0.002 0.000 0.965 44 N HN 0.597 nan 8.380 nan 0.000 0.437 45 R N -1.307 119.119 120.500 -0.124 0.000 2.323 45 R HA 0.083 4.424 4.340 0.001 0.000 0.198 45 R C -0.317 175.509 176.300 -0.789 0.000 0.988 45 R CA 0.392 56.215 56.100 -0.461 0.000 1.041 45 R CB -0.125 29.792 30.300 -0.638 0.000 0.926 45 R HN 0.344 nan 8.270 nan 0.000 0.476 46 Y N -0.431 119.877 120.300 0.012 0.000 2.457 46 Y HA 0.421 4.972 4.550 0.001 0.000 0.343 46 Y C -0.023 175.888 175.900 0.017 0.000 0.994 46 Y CA -1.148 56.963 58.100 0.018 0.000 1.031 46 Y CB 1.653 40.127 38.460 0.023 0.000 1.246 46 Y HN -0.289 nan 8.280 nan 0.000 0.449 47 R N 2.180 122.764 120.500 0.139 0.000 2.732 47 R HA 0.564 4.905 4.340 0.001 0.000 0.278 47 R C -2.676 173.685 176.300 0.102 0.000 0.976 47 R CA -2.035 54.114 56.100 0.081 0.000 0.963 47 R CB 1.129 31.445 30.300 0.025 0.000 1.150 47 R HN 0.373 nan 8.270 nan 0.000 0.478 48 P HA -0.090 nan 4.420 nan 0.000 0.267 48 P C 0.122 177.493 177.300 0.117 0.000 1.201 48 P CA 0.059 63.224 63.100 0.107 0.000 0.775 48 P CB 0.354 32.102 31.700 0.080 0.000 0.854 49 F N 2.759 122.723 119.950 0.025 0.000 2.161 49 F HA -0.241 4.287 4.527 0.001 0.000 0.300 49 F C 2.109 177.910 175.800 0.002 0.000 1.089 49 F CA 2.037 60.046 58.000 0.015 0.000 1.282 49 F CB -0.675 38.334 39.000 0.014 0.000 1.010 49 F HN 0.361 nan 8.300 nan 0.000 0.485 50 A N -0.114 122.726 122.820 0.032 0.000 1.948 50 A HA -0.243 4.078 4.320 0.001 0.000 0.220 50 A C 2.125 179.618 177.584 -0.152 0.000 1.177 50 A CA 2.163 54.160 52.037 -0.067 0.000 0.636 50 A CB -0.778 18.244 19.000 0.036 0.000 0.815 50 A HN 0.607 nan 8.150 nan 0.000 0.449 51 E N -1.483 118.652 120.200 -0.108 0.000 2.190 51 E HA -0.090 4.261 4.350 0.001 0.000 0.191 51 E C 2.008 178.527 176.600 -0.136 0.000 0.978 51 E CA 0.775 57.118 56.400 -0.096 0.000 0.839 51 E CB -0.006 29.668 29.700 -0.043 0.000 0.787 51 E HN 0.649 nan 8.360 nan 0.000 0.473 52 E N 0.374 120.471 120.200 -0.172 0.000 2.107 52 E HA -0.105 4.246 4.350 0.001 0.000 0.191 52 E C 1.378 177.815 176.600 -0.270 0.000 0.982 52 E CA 1.035 57.332 56.400 -0.172 0.000 0.809 52 E CB 0.371 30.008 29.700 -0.104 0.000 0.756 52 E HN 0.031 nan 8.360 nan 0.000 0.459 53 V N -0.800 118.822 119.914 -0.486 0.000 4.233 53 V HA 0.282 4.403 4.120 0.001 0.000 0.183 53 V C 0.096 175.964 176.094 -0.377 0.000 1.097 53 V CA 0.404 62.411 62.300 -0.489 0.000 1.385 53 V CB 0.254 31.613 31.823 -0.773 0.000 1.805 53 V HN 0.382 nan 8.190 nan 0.000 0.496 54 E N 0.800 120.735 120.200 -0.442 0.000 2.416 54 E HA 0.428 4.779 4.350 0.001 0.000 0.280 54 E C -3.212 173.294 176.600 -0.157 0.000 1.055 54 E CA -1.762 54.498 56.400 -0.233 0.000 0.825 54 E CB 1.974 31.564 29.700 -0.183 0.000 1.312 54 E HN 0.249 nan 8.360 nan 0.000 0.452 55 P HA 0.190 nan 4.420 nan 0.000 0.274 55 P C 0.531 177.836 177.300 0.008 0.000 1.246 55 P CA -0.240 62.860 63.100 -0.001 0.000 0.795 55 P CB 0.227 31.923 31.700 -0.007 0.000 1.006 56 I N 2.321 122.927 120.570 0.060 0.000 2.906 56 I HA -0.102 4.069 4.170 0.001 0.000 0.301 56 I C 1.672 177.770 176.117 -0.031 0.000 1.221 56 I CA 0.547 61.869 61.300 0.037 0.000 1.435 56 I CB -1.241 36.807 38.000 0.080 0.000 1.345 56 I HN 0.405 nan 8.210 nan 0.000 0.558 57 R N 3.585 124.009 120.500 -0.127 0.000 2.246 57 R HA 0.219 4.560 4.340 0.001 0.000 0.199 57 R C 0.415 176.718 176.300 0.005 0.000 0.984 57 R CA 0.084 56.059 56.100 -0.209 0.000 1.015 57 R CB 0.124 30.009 30.300 -0.692 0.000 0.930 57 R HN 0.717 nan 8.270 nan 0.000 0.475 58 L N 2.072 123.359 121.223 0.107 0.000 2.360 58 L HA 0.208 4.549 4.340 0.001 0.000 0.276 58 L C 0.198 177.170 176.870 0.169 0.000 1.121 58 L CA 0.433 55.424 54.840 0.251 0.000 0.845 58 L CB 0.642 42.869 42.059 0.281 0.000 1.143 58 L HN 0.027 nan 8.230 nan 0.000 0.452 59 R N 2.582 123.183 120.500 0.168 0.000 2.589 59 R HA 0.538 4.878 4.340 0.001 0.000 0.293 59 R C 0.382 176.726 176.300 0.073 0.000 0.963 59 R CA -0.032 56.128 56.100 0.100 0.000 0.905 59 R CB -0.361 29.996 30.300 0.094 0.000 1.144 59 R HN 0.831 nan 8.270 nan 0.000 0.459 60 N N 0.450 119.168 118.700 0.030 0.000 2.714 60 N HA -0.222 4.518 4.740 0.001 0.000 0.253 60 N C -0.227 175.270 175.510 -0.021 0.000 1.024 60 N CA 1.078 54.126 53.050 -0.004 0.000 0.726 60 N CB -1.272 37.217 38.487 0.003 0.000 0.908 60 N HN 0.926 nan 8.380 nan 0.000 0.542 61 R N -0.983 119.487 120.500 -0.049 0.000 2.640 61 R HA 0.165 4.506 4.340 0.001 0.000 0.270 61 R C 0.979 177.160 176.300 -0.198 0.000 1.024 61 R CA 0.771 56.806 56.100 -0.107 0.000 1.085 61 R CB 0.296 30.453 30.300 -0.239 0.000 0.963 61 R HN 0.371 nan 8.270 nan 0.000 0.426 62 T N -1.180 113.289 114.554 -0.142 0.000 2.955 62 T HA -0.026 4.325 4.350 0.001 0.000 0.251 62 T C 1.607 176.235 174.700 -0.120 0.000 1.002 62 T CA -0.228 61.799 62.100 -0.122 0.000 0.970 62 T CB -0.208 68.642 68.868 -0.031 0.000 1.091 62 T HN 0.829 nan 8.240 nan 0.000 0.495 63 W N 2.643 123.943 121.300 -0.001 0.000 2.308 63 W HA -0.017 4.644 4.660 0.001 0.000 0.301 63 W C -1.751 174.768 176.519 -0.001 0.000 1.220 63 W CA 1.122 58.464 57.345 -0.005 0.000 1.240 63 W CB -2.365 27.100 29.460 0.008 0.000 1.142 63 W HN 0.314 nan 8.180 nan 0.000 0.521 64 P HA -0.091 nan 4.420 nan 0.000 0.225 64 P C 0.684 177.904 177.300 -0.134 0.000 1.148 64 P CA 1.834 64.688 63.100 -0.410 0.000 0.779 64 P CB -0.250 31.027 31.700 -0.706 0.000 0.780 65 D N -1.538 118.792 120.400 -0.117 0.000 2.395 65 D HA 0.088 4.728 4.640 0.001 0.000 0.213 65 D C 0.358 176.645 176.300 -0.022 0.000 1.110 65 D CA 0.196 54.158 54.000 -0.063 0.000 0.835 65 D CB 0.417 41.168 40.800 -0.082 0.000 0.965 65 D HN 0.109 nan 8.370 nan 0.000 0.505 66 R N 1.012 121.518 120.500 0.011 0.000 2.343 66 R HA 0.437 4.778 4.340 0.001 0.000 0.320 66 R C -0.427 175.880 176.300 0.012 0.000 0.956 66 R CA -0.685 55.417 56.100 0.002 0.000 0.836 66 R CB 2.261 32.557 30.300 -0.007 0.000 1.151 66 R HN -0.191 nan 8.270 nan 0.000 0.450 67 V N 5.058 124.969 119.914 -0.006 0.000 2.439 67 V HA 0.297 4.418 4.120 0.001 0.000 0.282 67 V C 1.072 177.146 176.094 -0.034 0.000 1.039 67 V CA -0.787 61.515 62.300 0.003 0.000 0.913 67 V CB 1.369 33.199 31.823 0.011 0.000 0.983 67 V HN 0.591 nan 8.190 nan 0.000 0.460 68 I N 5.294 125.846 120.570 -0.031 0.000 2.821 68 I HA -0.013 4.158 4.170 0.001 0.000 0.294 68 I C 0.754 176.864 176.117 -0.012 0.000 1.210 68 I CA 0.563 61.821 61.300 -0.069 0.000 1.430 68 I CB 0.293 38.324 38.000 0.051 0.000 1.356 68 I HN 0.851 nan 8.210 nan 0.000 0.563 69 D N 6.453 126.829 120.400 -0.040 0.000 2.540 69 D HA 0.121 4.762 4.640 0.001 0.000 0.229 69 D C 0.084 176.404 176.300 0.034 0.000 1.250 69 D CA -0.470 53.534 54.000 0.006 0.000 0.817 69 D CB 0.422 41.215 40.800 -0.012 0.000 1.060 69 D HN 0.625 nan 8.370 nan 0.000 0.508 70 R N -1.418 119.125 120.500 0.071 0.000 2.716 70 R HA 0.756 5.097 4.340 0.001 0.000 0.271 70 R C -1.259 175.167 176.300 0.210 0.000 1.028 70 R CA -1.121 55.046 56.100 0.112 0.000 0.883 70 R CB 0.732 31.076 30.300 0.074 0.000 1.250 70 R HN -0.090 nan 8.270 nan 0.000 0.465 71 A N 2.147 125.034 122.820 0.112 0.000 2.425 71 A HA 0.488 4.809 4.320 0.001 0.000 0.249 71 A C -1.982 175.426 177.584 -0.293 0.000 1.084 71 A CA -1.240 50.767 52.037 -0.049 0.000 0.781 71 A CB -0.230 18.773 19.000 0.004 0.000 1.019 71 A HN 0.612 nan 8.150 nan 0.000 0.490 72 P HA 0.236 nan 4.420 nan 0.000 0.276 72 P C -0.429 176.312 177.300 -0.932 0.000 1.261 72 P CA -0.616 61.832 63.100 -1.088 0.000 0.800 72 P CB 0.461 31.105 31.700 -1.759 0.000 1.066 73 L N 1.704 122.598 121.223 -0.548 0.000 2.500 73 L HA 0.131 4.471 4.340 0.001 0.000 0.272 73 L C -0.610 176.058 176.870 -0.337 0.000 1.149 73 L CA 0.107 54.738 54.840 -0.348 0.000 0.897 73 L CB -0.969 40.989 42.059 -0.169 0.000 1.178 73 L HN 0.250 nan 8.230 nan 0.000 0.473 74 W N 4.803 126.090 121.300 -0.021 0.000 2.316 74 W HA 0.492 5.152 4.660 0.001 0.000 0.321 74 W C -0.099 176.453 176.519 0.055 0.000 1.203 74 W CA -0.609 56.765 57.345 0.048 0.000 1.214 74 W CB 1.101 30.705 29.460 0.241 0.000 1.169 74 W HN 0.604 nan 8.180 nan 0.000 0.561 75 C N 3.787 123.229 119.300 0.237 0.000 2.364 75 C HA 0.834 5.295 4.460 0.001 0.000 0.324 75 C C 0.155 175.145 174.990 -0.001 0.000 1.234 75 C CA -0.628 58.453 59.018 0.105 0.000 1.417 75 C CB -0.924 26.844 27.740 0.047 0.000 2.101 75 C HN 0.726 nan 8.230 nan 0.000 0.466 76 A N 4.773 127.523 122.820 -0.116 0.000 2.276 76 A HA 0.531 4.852 4.320 0.001 0.000 0.300 76 A C 0.652 178.173 177.584 -0.105 0.000 1.235 76 A CA -0.019 51.861 52.037 -0.261 0.000 0.867 76 A CB 0.463 19.128 19.000 -0.558 0.000 1.137 76 A HN 1.884 nan 8.150 nan 0.000 0.527 77 V N 0.008 119.877 119.914 -0.075 0.000 3.271 77 V HA 0.149 4.270 4.120 0.001 0.000 0.327 77 V C 0.575 176.666 176.094 -0.004 0.000 1.389 77 V CA 0.606 62.908 62.300 0.003 0.000 1.156 77 V CB -0.708 31.155 31.823 0.066 0.000 1.103 77 V HN 0.649 nan 8.190 nan 0.000 0.453 78 D N 1.643 122.014 120.400 -0.047 0.000 2.190 78 D HA -0.156 4.485 4.640 0.001 0.000 0.200 78 D C 1.856 178.145 176.300 -0.020 0.000 0.992 78 D CA 1.691 55.667 54.000 -0.039 0.000 0.854 78 D CB -0.224 40.537 40.800 -0.065 0.000 0.936 78 D HN 0.483 nan 8.370 nan 0.000 0.462 79 L N -0.600 120.622 121.223 -0.001 0.000 2.395 79 L HA 0.059 4.400 4.340 0.001 0.000 0.218 79 L C 2.297 179.155 176.870 -0.021 0.000 1.130 79 L CA 0.414 55.236 54.840 -0.029 0.000 0.826 79 L CB 0.104 42.174 42.059 0.019 0.000 0.941 79 L HN -0.004 nan 8.230 nan 0.000 0.451 80 R N -0.494 120.023 120.500 0.028 0.000 3.007 80 R HA -0.014 4.327 4.340 0.001 0.000 0.162 80 R C 1.464 177.797 176.300 0.054 0.000 1.083 80 R CA 0.696 56.830 56.100 0.057 0.000 1.093 80 R CB -0.484 29.868 30.300 0.087 0.000 1.305 80 R HN -0.024 nan 8.270 nan 0.000 0.511 81 D N 0.016 120.450 120.400 0.056 0.000 2.158 81 D HA -0.088 4.552 4.640 0.001 0.000 0.197 81 D C 1.544 177.869 176.300 0.042 0.000 0.995 81 D CA 1.839 55.879 54.000 0.066 0.000 0.846 81 D CB -0.333 40.545 40.800 0.129 0.000 0.941 81 D HN 0.478 nan 8.370 nan 0.000 0.456 82 G N -0.233 108.579 108.800 0.021 0.000 2.404 82 G HA2 -0.297 3.664 3.960 0.001 0.000 0.214 82 G HA3 -0.297 3.664 3.960 0.001 0.000 0.214 82 G C 1.682 176.579 174.900 -0.006 0.000 1.189 82 G CA 0.727 45.827 45.100 -0.000 0.000 0.789 82 G HN 0.279 nan 8.290 nan 0.000 0.533 83 N N 0.418 119.111 118.700 -0.012 0.000 2.137 83 N HA -0.175 4.566 4.740 0.001 0.000 0.190 83 N C 2.168 177.676 175.510 -0.003 0.000 1.017 83 N CA 1.786 54.823 53.050 -0.023 0.000 0.859 83 N CB -0.324 38.136 38.487 -0.044 0.000 1.002 83 N HN 0.342 nan 8.380 nan 0.000 0.428 84 Q N -0.170 119.643 119.800 0.021 0.000 2.181 84 Q HA 0.010 4.351 4.340 0.001 0.000 0.205 84 Q C 1.516 177.526 176.000 0.017 0.000 0.980 84 Q CA 1.842 57.667 55.803 0.036 0.000 0.862 84 Q CB -0.533 28.245 28.738 0.067 0.000 0.905 84 Q HN 0.444 nan 8.270 nan 0.000 0.429 85 A N -0.529 122.293 122.820 0.003 0.000 2.238 85 A HA 0.191 4.512 4.320 0.001 0.000 0.208 85 A C 0.311 177.888 177.584 -0.011 0.000 1.177 85 A CA -0.099 51.933 52.037 -0.009 0.000 0.804 85 A CB -0.164 18.824 19.000 -0.020 0.000 0.823 85 A HN 0.334 nan 8.150 nan 0.000 0.482 86 L N 0.568 121.783 121.223 -0.013 0.000 2.326 86 L HA 0.171 4.512 4.340 0.001 0.000 0.278 86 L C 1.254 178.113 176.870 -0.019 0.000 1.092 86 L CA -0.789 54.038 54.840 -0.021 0.000 0.810 86 L CB 0.771 42.810 42.059 -0.033 0.000 1.153 86 L HN 0.184 nan 8.230 nan 0.000 0.439 87 I N 0.646 121.204 120.570 -0.020 0.000 2.179 87 I HA -0.155 4.016 4.170 0.001 0.000 0.242 87 I C 0.526 176.629 176.117 -0.023 0.000 1.088 87 I CA 1.523 62.812 61.300 -0.018 0.000 1.357 87 I CB -0.471 37.519 38.000 -0.017 0.000 1.051 87 I HN 0.619 nan 8.210 nan 0.000 0.409 88 D N 1.847 122.227 120.400 -0.034 0.000 2.460 88 D HA 0.305 4.946 4.640 0.001 0.000 0.232 88 D C -2.282 173.986 176.300 -0.054 0.000 1.079 88 D CA -1.488 52.486 54.000 -0.043 0.000 0.864 88 D CB 1.297 42.066 40.800 -0.051 0.000 1.048 88 D HN 0.017 nan 8.370 nan 0.000 0.523 89 P HA -0.031 nan 4.420 nan 0.000 0.265 89 P C 0.273 177.529 177.300 -0.074 0.000 1.187 89 P CA 0.178 63.248 63.100 -0.049 0.000 0.766 89 P CB 0.582 32.263 31.700 -0.033 0.000 0.820 90 M N 1.910 121.455 119.600 -0.091 0.000 2.252 90 M HA 0.035 4.515 4.480 0.001 0.000 0.348 90 M C 0.953 177.194 176.300 -0.099 0.000 1.334 90 M CA 0.358 55.586 55.300 -0.120 0.000 1.071 90 M CB 0.091 32.604 32.600 -0.145 0.000 1.763 90 M HN 0.412 nan 8.290 nan 0.000 0.452 91 S N 3.903 119.550 115.700 -0.088 0.000 2.608 91 S HA 0.238 4.709 4.470 0.001 0.000 0.261 91 S C -1.971 172.608 174.600 -0.035 0.000 1.314 91 S CA -1.204 56.968 58.200 -0.046 0.000 0.992 91 S CB 0.205 63.387 63.200 -0.030 0.000 0.935 91 S HN 0.478 nan 8.310 nan 0.000 0.564 92 P HA -0.101 nan 4.420 nan 0.000 0.216 92 P C 1.547 178.891 177.300 0.072 0.000 1.150 92 P CA 1.994 65.127 63.100 0.054 0.000 0.843 92 P CB -0.293 31.459 31.700 0.087 0.000 0.787 93 A N -0.315 122.549 122.820 0.074 0.000 1.930 93 A HA -0.190 4.130 4.320 0.001 0.000 0.217 93 A C 2.270 179.943 177.584 0.149 0.000 1.175 93 A CA 1.375 53.483 52.037 0.118 0.000 0.627 93 A CB -0.919 18.161 19.000 0.133 0.000 0.815 93 A HN 0.076 nan 8.150 nan 0.000 0.443 94 R N -0.355 120.190 120.500 0.075 0.000 2.090 94 R HA -0.049 4.291 4.340 0.001 0.000 0.228 94 R C 2.156 178.471 176.300 0.025 0.000 1.110 94 R CA 1.403 57.528 56.100 0.042 0.000 0.973 94 R CB -0.238 29.940 30.300 -0.202 0.000 0.869 94 R HN 0.489 nan 8.270 nan 0.000 0.440 95 K N 0.533 120.890 120.400 -0.072 0.000 2.057 95 K HA -0.140 4.181 4.320 0.001 0.000 0.207 95 K C 2.151 178.765 176.600 0.023 0.000 1.049 95 K CA 1.420 57.584 56.287 -0.206 0.000 0.931 95 K CB -0.061 32.044 32.500 -0.658 0.000 0.714 95 K HN 0.158 nan 8.250 nan 0.000 0.440 96 R N 0.416 121.017 120.500 0.168 0.000 2.096 96 R HA -0.119 4.222 4.340 0.001 0.000 0.235 96 R C 2.359 178.817 176.300 0.263 0.000 1.127 96 R CA 1.164 57.439 56.100 0.293 0.000 0.968 96 R CB -0.285 30.152 30.300 0.228 0.000 0.861 96 R HN 0.012 nan 8.270 nan 0.000 0.440 97 R N 1.245 121.871 120.500 0.210 0.000 2.083 97 R HA -0.139 4.202 4.340 0.001 0.000 0.237 97 R C 2.183 178.589 176.300 0.177 0.000 1.137 97 R CA 1.767 57.983 56.100 0.192 0.000 0.951 97 R CB -0.446 30.012 30.300 0.263 0.000 0.851 97 R HN 0.127 nan 8.270 nan 0.000 0.434 98 M N -0.632 119.069 119.600 0.168 0.000 2.086 98 M HA -0.072 4.408 4.480 0.001 0.000 0.261 98 M C 1.840 178.237 176.300 0.162 0.000 1.067 98 M CA 1.665 57.041 55.300 0.127 0.000 1.116 98 M CB -0.770 31.872 32.600 0.070 0.000 1.348 98 M HN 0.248 nan 8.290 nan 0.000 0.407 99 F N 0.946 120.950 119.950 0.091 0.000 2.120 99 F HA -0.276 4.252 4.527 0.001 0.000 0.300 99 F C 1.742 177.599 175.800 0.095 0.000 1.095 99 F CA 2.286 60.367 58.000 0.134 0.000 1.249 99 F CB -0.535 38.630 39.000 0.275 0.000 0.995 99 F HN 0.241 nan 8.300 nan 0.000 0.480 100 D N 0.339 120.874 120.400 0.226 0.000 2.123 100 D HA -0.194 4.447 4.640 0.001 0.000 0.196 100 D C 2.227 178.519 176.300 -0.012 0.000 0.992 100 D CA 1.440 55.493 54.000 0.088 0.000 0.833 100 D CB -0.678 40.198 40.800 0.127 0.000 0.954 100 D HN 0.341 nan 8.370 nan 0.000 0.455 101 L N 0.650 121.881 121.223 0.014 0.000 1.994 101 L HA -0.132 4.209 4.340 0.001 0.000 0.208 101 L C 2.253 179.105 176.870 -0.030 0.000 1.071 101 L CA 1.417 56.254 54.840 -0.005 0.000 0.745 101 L CB -0.573 41.503 42.059 0.028 0.000 0.892 101 L HN 0.003 nan 8.230 nan 0.000 0.431 102 L N -1.654 119.544 121.223 -0.042 0.000 2.012 102 L HA -0.241 4.099 4.340 0.001 0.000 0.210 102 L C 2.461 179.315 176.870 -0.027 0.000 1.073 102 L CA 1.303 56.149 54.840 0.011 0.000 0.748 102 L CB -0.869 41.126 42.059 -0.107 0.000 0.891 102 L HN 0.138 nan 8.230 nan 0.000 0.431 103 V N 0.280 120.051 119.914 -0.238 0.000 2.252 103 V HA -0.365 3.755 4.120 0.001 0.000 0.249 103 V C 3.252 179.255 176.094 -0.153 0.000 1.056 103 V CA 2.666 64.823 62.300 -0.239 0.000 1.022 103 V CB -1.127 30.496 31.823 -0.333 0.000 0.641 103 V HN 0.583 nan 8.190 nan 0.000 0.445 104 R N -0.756 119.669 120.500 -0.125 0.000 2.115 104 R HA -0.038 4.303 4.340 0.001 0.000 0.230 104 R C 1.955 178.156 176.300 -0.166 0.000 1.111 104 R CA 1.930 57.960 56.100 -0.118 0.000 0.976 104 R CB -1.018 29.231 30.300 -0.086 0.000 0.870 104 R HN 0.613 nan 8.270 nan 0.000 0.445 105 M N -1.178 118.310 119.600 -0.186 0.000 2.394 105 M HA 0.126 4.606 4.480 0.001 0.000 0.264 105 M C 1.622 177.639 176.300 -0.472 0.000 1.073 105 M CA 1.533 56.637 55.300 -0.326 0.000 1.111 105 M CB 0.622 33.061 32.600 -0.269 0.000 1.401 105 M HN 0.616 nan 8.290 nan 0.000 0.448 106 G N -1.054 107.518 108.800 -0.380 0.000 2.205 106 G HA2 -0.190 3.771 3.960 0.001 0.000 0.180 106 G HA3 -0.190 3.771 3.960 0.001 0.000 0.180 106 G C -0.335 174.338 174.900 -0.378 0.000 1.004 106 G CA -0.775 44.099 45.100 -0.377 0.000 0.670 106 G HN 0.371 nan 8.290 nan 0.000 0.496 107 Y N 1.232 121.446 120.300 -0.145 0.000 2.511 107 Y HA 0.413 4.964 4.550 0.001 0.000 0.332 107 Y C 1.637 177.490 175.900 -0.078 0.000 1.177 107 Y CA 0.298 58.345 58.100 -0.087 0.000 1.422 107 Y CB 0.849 39.242 38.460 -0.111 0.000 1.271 107 Y HN -0.088 nan 8.280 nan 0.000 0.550 108 K N 1.678 122.147 120.400 0.115 0.000 2.391 108 K HA 0.163 4.484 4.320 0.001 0.000 0.197 108 K C -0.428 176.202 176.600 0.051 0.000 1.087 108 K CA 0.315 56.628 56.287 0.043 0.000 1.012 108 K CB 0.697 33.206 32.500 0.016 0.000 0.925 108 K HN 0.725 nan 8.250 nan 0.000 0.547 109 E N 1.040 121.293 120.200 0.089 0.000 2.224 109 E HA 0.473 4.824 4.350 0.001 0.000 0.265 109 E C -0.813 175.830 176.600 0.071 0.000 0.878 109 E CA -0.378 56.061 56.400 0.065 0.000 0.759 109 E CB 2.290 32.018 29.700 0.046 0.000 1.164 109 E HN -0.043 nan 8.360 nan 0.000 0.414 110 I N 2.107 122.723 120.570 0.077 0.000 2.497 110 I HA 0.151 4.322 4.170 0.001 0.000 0.284 110 I C -0.127 176.072 176.117 0.137 0.000 1.060 110 I CA -0.592 60.762 61.300 0.091 0.000 1.071 110 I CB 1.944 40.006 38.000 0.103 0.000 1.216 110 I HN 0.447 nan 8.210 nan 0.000 0.442 111 E N 4.898 125.163 120.200 0.108 0.000 2.366 111 E HA 0.113 4.464 4.350 0.001 0.000 0.266 111 E C 0.526 177.233 176.600 0.178 0.000 1.015 111 E CA -0.015 56.459 56.400 0.124 0.000 0.906 111 E CB 1.213 30.971 29.700 0.096 0.000 0.979 111 E HN 0.595 nan 8.360 nan 0.000 0.443 112 V N 0.953 120.987 119.914 0.201 0.000 3.556 112 V HA 0.544 4.664 4.120 0.001 0.000 0.287 112 V C 0.514 176.772 176.094 0.275 0.000 1.422 112 V CA 0.393 62.876 62.300 0.306 0.000 1.038 112 V CB 0.326 32.330 31.823 0.303 0.000 0.850 112 V HN 0.688 nan 8.190 nan 0.000 0.437 113 G N -0.444 108.471 108.800 0.192 0.000 2.320 113 G HA2 0.350 4.311 3.960 0.001 0.000 0.297 113 G HA3 0.350 4.311 3.960 0.001 0.000 0.297 113 G C -1.602 173.449 174.900 0.252 0.000 1.344 113 G CA -0.397 44.830 45.100 0.212 0.000 0.851 113 G HN 0.183 nan 8.290 nan 0.000 0.567 114 F N 2.435 122.448 119.950 0.105 0.000 2.542 114 F HA 0.365 4.892 4.527 0.001 0.000 0.323 114 F C -1.388 174.494 175.800 0.136 0.000 1.411 114 F CA -2.394 55.673 58.000 0.112 0.000 1.124 114 F CB 1.911 40.972 39.000 0.101 0.000 1.331 114 F HN 0.261 nan 8.300 nan 0.000 0.560 115 P HA -0.163 nan 4.420 nan 0.000 0.222 115 P C 1.398 178.896 177.300 0.329 0.000 1.147 115 P CA 1.212 64.498 63.100 0.310 0.000 0.790 115 P CB 0.033 31.847 31.700 0.191 0.000 0.780 116 S N -1.310 114.537 115.700 0.245 0.000 2.603 116 S HA 0.258 4.729 4.470 0.001 0.000 0.220 116 S C 1.710 176.270 174.600 -0.068 0.000 0.967 116 S CA 0.517 58.795 58.200 0.130 0.000 0.920 116 S CB -0.576 62.725 63.200 0.169 0.000 0.773 116 S HN 0.139 nan 8.310 nan 0.000 0.529 117 A N 0.280 122.955 122.820 -0.242 0.000 2.390 117 A HA 0.602 4.923 4.320 0.001 0.000 0.225 117 A C 0.785 178.246 177.584 -0.204 0.000 1.232 117 A CA 0.174 51.981 52.037 -0.383 0.000 0.964 117 A CB 0.465 18.884 19.000 -0.969 0.000 1.064 117 A HN 0.463 nan 8.150 nan 0.000 0.525 118 S N -0.364 115.291 115.700 -0.076 0.000 2.775 118 S HA 0.354 4.825 4.470 0.001 0.000 0.277 118 S C 0.366 175.020 174.600 0.089 0.000 1.156 118 S CA -0.336 57.868 58.200 0.006 0.000 1.081 118 S CB 1.373 64.597 63.200 0.040 0.000 1.054 118 S HN 0.241 nan 8.310 nan 0.000 0.482 119 Q N 3.321 123.153 119.800 0.054 0.000 2.135 119 Q HA -0.104 4.237 4.340 0.001 0.000 0.204 119 Q C 1.897 177.984 176.000 0.146 0.000 0.981 119 Q CA 2.986 58.836 55.803 0.078 0.000 0.856 119 Q CB -0.604 28.136 28.738 0.004 0.000 0.902 119 Q HN 0.895 nan 8.270 nan 0.000 0.425 120 T N -2.413 112.205 114.554 0.107 0.000 2.867 120 T HA -0.099 4.252 4.350 0.001 0.000 0.268 120 T C 1.221 176.020 174.700 0.165 0.000 1.057 120 T CA 1.150 63.320 62.100 0.118 0.000 1.136 120 T CB -0.354 68.555 68.868 0.068 0.000 0.874 120 T HN 0.181 nan 8.240 nan 0.000 0.466 121 D N 0.725 121.226 120.400 0.169 0.000 2.104 121 D HA -0.030 4.611 4.640 0.001 0.000 0.194 121 D C 1.533 177.981 176.300 0.248 0.000 0.994 121 D CA 0.789 54.918 54.000 0.216 0.000 0.830 121 D CB -0.655 40.273 40.800 0.212 0.000 0.959 121 D HN 0.453 nan 8.370 nan 0.000 0.452 122 F N 1.471 121.486 119.950 0.108 0.000 2.126 122 F HA -0.220 4.308 4.527 0.001 0.000 0.299 122 F C 1.815 177.660 175.800 0.074 0.000 1.096 122 F CA 1.434 59.485 58.000 0.084 0.000 1.255 122 F CB 0.108 39.145 39.000 0.060 0.000 0.997 122 F HN -0.181 nan 8.300 nan 0.000 0.479 123 D N -0.134 120.466 120.400 0.334 0.000 2.097 123 D HA -0.221 4.420 4.640 0.001 0.000 0.195 123 D C 1.983 178.365 176.300 0.136 0.000 0.989 123 D CA 1.403 55.540 54.000 0.227 0.000 0.827 123 D CB -0.745 40.170 40.800 0.191 0.000 0.966 123 D HN 0.346 nan 8.370 nan 0.000 0.456 124 F N 1.214 121.170 119.950 0.010 0.000 2.134 124 F HA -0.189 4.339 4.527 0.001 0.000 0.299 124 F C 2.120 177.854 175.800 -0.111 0.000 1.097 124 F CA 0.948 58.919 58.000 -0.048 0.000 1.264 124 F CB -0.309 38.669 39.000 -0.035 0.000 1.001 124 F HN -0.201 nan 8.300 nan 0.000 0.479 125 V N 0.908 120.707 119.914 -0.192 0.000 2.358 125 V HA -0.255 3.866 4.120 0.001 0.000 0.246 125 V C 2.618 178.496 176.094 -0.360 0.000 1.047 125 V CA 1.780 63.875 62.300 -0.342 0.000 1.035 125 V CB -0.633 31.049 31.823 -0.235 0.000 0.658 125 V HN 0.217 nan 8.190 nan 0.000 0.452 126 R N 0.110 120.437 120.500 -0.287 0.000 2.081 126 R HA -0.165 4.176 4.340 0.001 0.000 0.235 126 R C 2.205 178.396 176.300 -0.182 0.000 1.131 126 R CA 1.686 57.667 56.100 -0.199 0.000 0.960 126 R CB -0.747 29.510 30.300 -0.071 0.000 0.856 126 R HN 0.740 nan 8.270 nan 0.000 0.436 127 E N 1.056 121.133 120.200 -0.205 0.000 2.031 127 E HA -0.171 4.180 4.350 0.001 0.000 0.193 127 E C 2.026 178.451 176.600 -0.293 0.000 0.994 127 E CA 1.635 57.914 56.400 -0.202 0.000 0.800 127 E CB -0.160 29.442 29.700 -0.163 0.000 0.752 127 E HN 0.430 nan 8.360 nan 0.000 0.447 128 I N -1.285 118.979 120.570 -0.510 0.000 2.361 128 I HA -0.178 3.993 4.170 0.001 0.000 0.251 128 I C 2.231 178.159 176.117 -0.315 0.000 1.133 128 I CA 1.167 62.152 61.300 -0.525 0.000 1.413 128 I CB -0.308 37.151 38.000 -0.902 0.000 1.073 128 I HN 0.084 nan 8.210 nan 0.000 0.424 129 I N 1.218 121.626 120.570 -0.271 0.000 2.277 129 I HA -0.145 4.026 4.170 0.001 0.000 0.243 129 I C 2.581 178.625 176.117 -0.122 0.000 1.094 129 I CA 1.293 62.487 61.300 -0.177 0.000 1.393 129 I CB -0.379 37.521 38.000 -0.165 0.000 1.078 129 I HN 0.215 nan 8.210 nan 0.000 0.417 130 E N 0.437 120.570 120.200 -0.112 0.000 2.106 130 E HA -0.202 4.149 4.350 0.001 0.000 0.192 130 E C 1.847 178.410 176.600 -0.061 0.000 0.984 130 E CA 0.829 57.188 56.400 -0.068 0.000 0.806 130 E CB 0.070 29.740 29.700 -0.050 0.000 0.750 130 E HN 0.418 nan 8.360 nan 0.000 0.458 131 Q N -0.718 119.033 119.800 -0.082 0.000 2.360 131 Q HA 0.088 4.429 4.340 0.001 0.000 0.202 131 Q C 0.866 176.832 176.000 -0.057 0.000 0.915 131 Q CA 0.677 56.442 55.803 -0.063 0.000 0.943 131 Q CB 1.069 29.767 28.738 -0.066 0.000 1.064 131 Q HN 0.361 nan 8.270 nan 0.000 0.511 132 G N 1.116 109.874 108.800 -0.070 0.000 2.256 132 G HA2 -0.290 3.671 3.960 0.001 0.000 0.272 132 G HA3 -0.290 3.671 3.960 0.001 0.000 0.272 132 G C 0.774 175.654 174.900 -0.033 0.000 1.076 132 G CA 0.438 45.508 45.100 -0.050 0.000 0.882 132 G HN 0.457 nan 8.290 nan 0.000 0.497 133 A N -0.830 121.952 122.820 -0.062 0.000 2.123 133 A HA 0.514 4.835 4.320 0.001 0.000 0.214 133 A C 1.260 178.913 177.584 0.115 0.000 1.152 133 A CA 0.688 52.720 52.037 -0.008 0.000 0.728 133 A CB 0.079 18.998 19.000 -0.135 0.000 0.814 133 A HN 0.809 nan 8.150 nan 0.000 0.464 134 I N 1.986 122.590 120.570 0.057 0.000 2.363 134 I HA 0.179 4.350 4.170 0.001 0.000 0.292 134 I C -2.210 173.958 176.117 0.085 0.000 1.075 134 I CA -1.841 59.543 61.300 0.140 0.000 1.333 134 I CB 0.775 38.805 38.000 0.050 0.000 1.415 134 I HN 0.054 nan 8.210 nan 0.000 0.502 135 P HA 0.073 nan 4.420 nan 0.000 0.268 135 P C 0.769 178.072 177.300 0.005 0.000 1.208 135 P CA 0.113 63.230 63.100 0.028 0.000 0.777 135 P CB 0.532 32.231 31.700 -0.002 0.000 0.875 136 D N 0.892 121.286 120.400 -0.010 0.000 2.310 136 D HA -0.143 4.498 4.640 0.001 0.000 0.212 136 D C 0.835 177.119 176.300 -0.026 0.000 0.965 136 D CA 1.188 55.175 54.000 -0.021 0.000 0.879 136 D CB -0.588 40.199 40.800 -0.022 0.000 0.921 136 D HN 0.604 nan 8.370 nan 0.000 0.510 137 D N -0.898 119.487 120.400 -0.026 0.000 2.368 137 D HA 0.204 4.845 4.640 0.001 0.000 0.218 137 D C 0.021 176.307 176.300 -0.024 0.000 1.112 137 D CA -0.230 53.753 54.000 -0.029 0.000 0.834 137 D CB 0.177 40.958 40.800 -0.033 0.000 0.953 137 D HN 0.319 nan 8.370 nan 0.000 0.505 138 V N 0.530 120.434 119.914 -0.016 0.000 2.483 138 V HA 0.417 4.538 4.120 0.001 0.000 0.295 138 V C 0.030 176.126 176.094 0.003 0.000 1.035 138 V CA -0.438 61.861 62.300 -0.002 0.000 0.896 138 V CB 1.916 33.742 31.823 0.004 0.000 0.986 138 V HN 0.060 nan 8.190 nan 0.000 0.447 139 T N 5.935 120.492 114.554 0.006 0.000 2.788 139 T HA 0.502 4.853 4.350 0.001 0.000 0.296 139 T C -0.014 174.705 174.700 0.032 0.000 1.009 139 T CA -0.209 61.888 62.100 -0.005 0.000 0.949 139 T CB 0.598 69.450 68.868 -0.026 0.000 0.946 139 T HN 0.621 nan 8.240 nan 0.000 0.453 140 I N 1.532 122.127 120.570 0.041 0.000 2.752 140 I HA 0.343 4.514 4.170 0.001 0.000 0.287 140 I C 0.156 176.301 176.117 0.047 0.000 1.188 140 I CA -0.365 60.978 61.300 0.072 0.000 1.427 140 I CB 0.462 38.490 38.000 0.046 0.000 1.365 140 I HN 0.507 nan 8.210 nan 0.000 0.585 141 Q N 5.753 125.600 119.800 0.078 0.000 2.322 141 Q HA 0.641 4.982 4.340 0.001 0.000 0.265 141 Q C -1.145 174.910 176.000 0.091 0.000 0.985 141 Q CA -0.962 54.888 55.803 0.078 0.000 0.849 141 Q CB 1.971 30.759 28.738 0.083 0.000 1.274 141 Q HN 0.773 nan 8.270 nan 0.000 0.449 142 V N 1.963 121.928 119.914 0.086 0.000 2.628 142 V HA 0.635 4.755 4.120 0.001 0.000 0.306 142 V C -0.848 175.295 176.094 0.082 0.000 1.045 142 V CA -1.134 61.218 62.300 0.086 0.000 0.905 142 V CB 1.453 33.315 31.823 0.065 0.000 0.997 142 V HN 0.756 nan 8.190 nan 0.000 0.436 143 L N 3.511 124.737 121.223 0.004 0.000 2.334 143 L HA 0.849 5.190 4.340 0.001 0.000 0.277 143 L C 0.183 177.012 176.870 -0.068 0.000 1.075 143 L CA 0.822 55.541 54.840 -0.201 0.000 0.804 143 L CB 1.654 43.361 42.059 -0.586 0.000 1.174 143 L HN 1.138 nan 8.230 nan 0.000 0.438 144 T N 2.932 117.515 114.554 0.048 0.000 2.923 144 T HA 0.449 4.800 4.350 0.001 0.000 0.311 144 T C -0.718 174.124 174.700 0.236 0.000 1.183 144 T CA -0.517 61.766 62.100 0.305 0.000 1.020 144 T CB 1.173 70.217 68.868 0.294 0.000 1.165 144 T HN 0.734 nan 8.240 nan 0.000 0.482 145 Q N 0.882 120.836 119.800 0.256 0.000 2.316 145 Q HA 0.336 4.677 4.340 0.001 0.000 0.215 145 Q C 0.800 176.830 176.000 0.050 0.000 1.020 145 Q CA -0.661 55.115 55.803 -0.044 0.000 0.970 145 Q CB 0.675 29.425 28.738 0.019 0.000 1.187 145 Q HN 0.789 nan 8.270 nan 0.000 0.546 146 C N 0.594 119.900 119.300 0.010 0.000 2.576 146 C HA 0.093 4.554 4.460 0.001 0.000 0.267 146 C C 0.488 175.495 174.990 0.028 0.000 1.364 146 C CA -0.194 58.852 59.018 0.047 0.000 1.723 146 C CB -0.907 26.876 27.740 0.072 0.000 1.778 146 C HN 0.539 nan 8.230 nan 0.000 0.572 147 R N 2.188 122.715 120.500 0.045 0.000 2.537 147 R HA 0.023 4.364 4.340 0.001 0.000 0.281 147 R C -1.276 175.042 176.300 0.031 0.000 0.988 147 R CA -0.323 55.800 56.100 0.039 0.000 1.077 147 R CB 0.036 30.364 30.300 0.048 0.000 0.932 147 R HN 0.248 nan 8.270 nan 0.000 0.409 148 P HA -0.226 nan 4.420 nan 0.000 0.216 148 P C 0.969 178.283 177.300 0.024 0.000 1.150 148 P CA 1.422 64.521 63.100 -0.002 0.000 0.837 148 P CB 0.088 31.778 31.700 -0.017 0.000 0.786 149 E N 0.480 120.700 120.200 0.032 0.000 2.274 149 E HA -0.087 4.263 4.350 0.001 0.000 0.194 149 E C 2.075 178.719 176.600 0.074 0.000 0.996 149 E CA 0.734 57.161 56.400 0.045 0.000 0.840 149 E CB -1.091 28.628 29.700 0.031 0.000 0.772 149 E HN 0.283 nan 8.360 nan 0.000 0.491 150 L N 0.428 121.701 121.223 0.083 0.000 2.072 150 L HA -0.011 4.330 4.340 0.001 0.000 0.205 150 L C 2.763 179.731 176.870 0.163 0.000 1.079 150 L CA 0.764 55.676 54.840 0.121 0.000 0.752 150 L CB -0.346 41.789 42.059 0.127 0.000 0.906 150 L HN 0.041 nan 8.230 nan 0.000 0.436 151 I N -0.107 120.550 120.570 0.145 0.000 2.226 151 I HA -0.265 3.906 4.170 0.001 0.000 0.245 151 I C 2.419 178.684 176.117 0.247 0.000 1.100 151 I CA 1.281 62.697 61.300 0.192 0.000 1.374 151 I CB -0.214 37.852 38.000 0.111 0.000 1.057 151 I HN 0.290 nan 8.210 nan 0.000 0.413 152 E N 0.526 120.818 120.200 0.153 0.000 2.031 152 E HA -0.284 4.066 4.350 0.001 0.000 0.193 152 E C 2.233 178.967 176.600 0.223 0.000 0.994 152 E CA 1.196 57.691 56.400 0.158 0.000 0.800 152 E CB -0.129 29.629 29.700 0.097 0.000 0.752 152 E HN 0.240 nan 8.360 nan 0.000 0.447 153 R N 0.583 121.205 120.500 0.202 0.000 2.127 153 R HA -0.118 4.223 4.340 0.001 0.000 0.238 153 R C 2.067 178.543 176.300 0.292 0.000 1.134 153 R CA 1.840 58.090 56.100 0.250 0.000 0.975 153 R CB -0.386 30.032 30.300 0.197 0.000 0.865 153 R HN 0.073 nan 8.270 nan 0.000 0.447 154 T N -0.062 114.632 114.554 0.233 0.000 2.737 154 T HA -0.068 4.283 4.350 0.001 0.000 0.265 154 T C 1.311 176.011 174.700 -0.001 0.000 1.038 154 T CA 1.552 63.736 62.100 0.141 0.000 1.144 154 T CB -0.320 68.629 68.868 0.135 0.000 0.866 154 T HN 0.123 nan 8.240 nan 0.000 0.434 155 F N 1.685 121.557 119.950 -0.130 0.000 2.134 155 F HA -0.085 4.443 4.527 0.001 0.000 0.299 155 F C 2.734 178.312 175.800 -0.371 0.000 1.097 155 F CA 1.077 58.825 58.000 -0.420 0.000 1.264 155 F CB -0.593 37.992 39.000 -0.692 0.000 1.001 155 F HN 0.155 nan 8.300 nan 0.000 0.479 156 Q N -0.118 119.732 119.800 0.083 0.000 2.061 156 Q HA -0.201 4.140 4.340 0.001 0.000 0.204 156 Q C 2.530 178.586 176.000 0.093 0.000 0.984 156 Q CA 1.668 57.586 55.803 0.191 0.000 0.846 156 Q CB -0.558 28.387 28.738 0.345 0.000 0.902 156 Q HN 0.426 nan 8.270 nan 0.000 0.421 157 A N 0.008 122.811 122.820 -0.028 0.000 1.927 157 A HA -0.238 4.083 4.320 0.001 0.000 0.220 157 A C 2.002 179.398 177.584 -0.314 0.000 1.185 157 A CA 1.608 53.319 52.037 -0.544 0.000 0.639 157 A CB -0.800 17.858 19.000 -0.569 0.000 0.820 157 A HN 0.553 nan 8.150 nan 0.000 0.451 158 C N 0.074 119.301 119.300 -0.122 0.000 2.673 158 C HA 0.326 4.786 4.460 0.001 0.000 0.274 158 C C 1.498 176.498 174.990 0.018 0.000 1.276 158 C CA -0.192 58.804 59.018 -0.038 0.000 1.701 158 C CB -1.916 25.895 27.740 0.117 0.000 1.836 158 C HN 0.582 nan 8.230 nan 0.000 0.596 159 S N 0.622 116.341 115.700 0.030 0.000 2.515 159 S HA 0.402 4.872 4.470 0.001 0.000 0.285 159 S C 1.275 175.909 174.600 0.058 0.000 1.265 159 S CA 1.350 59.623 58.200 0.121 0.000 1.079 159 S CB 0.085 63.425 63.200 0.234 0.000 0.877 159 S HN 1.112 nan 8.310 nan 0.000 0.493 160 G N 3.154 111.980 108.800 0.044 0.000 2.259 160 G HA2 -0.100 3.861 3.960 0.001 0.000 0.217 160 G HA3 -0.100 3.861 3.960 0.001 0.000 0.217 160 G C 0.348 175.195 174.900 -0.088 0.000 1.001 160 G CA -0.077 45.016 45.100 -0.011 0.000 0.627 160 G HN 1.610 nan 8.290 nan 0.000 0.501 161 A N 1.641 124.372 122.820 -0.148 0.000 2.531 161 A HA 0.563 4.884 4.320 0.001 0.000 0.236 161 A C 0.137 177.568 177.584 -0.254 0.000 1.062 161 A CA 0.298 52.210 52.037 -0.210 0.000 0.760 161 A CB 0.448 19.288 19.000 -0.266 0.000 0.995 161 A HN 0.225 nan 8.150 nan 0.000 0.501 162 P HA -0.066 nan 4.420 nan 0.000 0.217 162 P C 0.172 177.314 177.300 -0.262 0.000 1.151 162 P CA 1.241 64.227 63.100 -0.190 0.000 0.828 162 P CB 0.100 31.726 31.700 -0.123 0.000 0.788 163 R N -1.128 119.204 120.500 -0.281 0.000 2.663 163 R HA 0.800 5.141 4.340 0.001 0.000 0.267 163 R C -1.941 174.185 176.300 -0.291 0.000 1.038 163 R CA -1.038 54.882 56.100 -0.300 0.000 0.886 163 R CB 1.426 31.620 30.300 -0.176 0.000 1.249 163 R HN -0.064 nan 8.270 nan 0.000 0.463 164 A N 2.353 125.004 122.820 -0.281 0.000 2.577 164 A HA 0.500 4.820 4.320 0.001 0.000 0.297 164 A C -1.257 176.290 177.584 -0.063 0.000 1.060 164 A CA -0.878 51.074 52.037 -0.142 0.000 0.697 164 A CB 1.333 20.264 19.000 -0.115 0.000 1.281 164 A HN 0.650 nan 8.150 nan 0.000 0.402 165 I N 1.990 122.543 120.570 -0.029 0.000 2.312 165 I HA 0.288 4.459 4.170 0.001 0.000 0.291 165 I C -0.265 175.879 176.117 0.045 0.000 1.031 165 I CA -0.550 60.742 61.300 -0.013 0.000 1.293 165 I CB 1.491 39.491 38.000 0.001 0.000 1.403 165 I HN 0.331 nan 8.210 nan 0.000 0.484 166 V N 6.743 126.683 119.914 0.043 0.000 2.389 166 V HA 0.071 4.192 4.120 0.001 0.000 0.264 166 V C 0.272 176.599 176.094 0.389 0.000 1.049 166 V CA -0.376 62.017 62.300 0.154 0.000 0.932 166 V CB 0.323 32.200 31.823 0.089 0.000 1.011 166 V HN 0.653 nan 8.190 nan 0.000 0.475 167 H N 6.685 125.872 119.070 0.195 0.000 2.641 167 H HA 0.484 5.041 4.556 0.001 0.000 0.295 167 H C -0.816 174.676 175.328 0.272 0.000 1.070 167 H CA -0.902 55.242 56.048 0.159 0.000 1.257 167 H CB 0.623 30.403 29.762 0.031 0.000 1.393 167 H HN 0.624 nan 8.280 nan 0.000 0.464 168 F N 4.691 124.864 119.950 0.373 0.000 2.458 168 F HA 0.518 5.046 4.527 0.001 0.000 0.330 168 F C -1.559 174.448 175.800 0.345 0.000 1.082 168 F CA -1.136 57.019 58.000 0.258 0.000 0.995 168 F CB 0.828 39.974 39.000 0.243 0.000 1.170 168 F HN 0.402 nan 8.300 nan 0.000 0.478 169 Y N 0.627 121.024 120.300 0.162 0.000 2.609 169 Y HA 0.666 5.217 4.550 0.001 0.000 0.336 169 Y C -1.862 174.147 175.900 0.182 0.000 1.129 169 Y CA -1.467 56.638 58.100 0.008 0.000 1.040 169 Y CB 1.577 39.909 38.460 -0.214 0.000 1.310 169 Y HN 0.896 nan 8.280 nan 0.000 0.460 170 N N 0.801 119.593 118.700 0.154 0.000 2.396 170 N HA 0.301 5.042 4.740 0.001 0.000 0.275 170 N C -1.759 173.841 175.510 0.149 0.000 1.218 170 N CA -0.665 52.426 53.050 0.068 0.000 0.812 170 N CB 2.062 40.573 38.487 0.039 0.000 1.592 170 N HN 0.720 nan 8.380 nan 0.000 0.480 171 S N -0.361 115.422 115.700 0.137 0.000 2.510 171 S HA 0.248 4.718 4.470 0.001 0.000 0.279 171 S C 0.845 175.445 174.600 -0.000 0.000 1.284 171 S CA 0.107 58.395 58.200 0.146 0.000 1.059 171 S CB -0.282 63.108 63.200 0.316 0.000 0.901 171 S HN 0.664 nan 8.310 nan 0.000 0.491 172 T N 0.617 115.229 114.554 0.097 0.000 3.040 172 T HA 0.228 4.579 4.350 0.001 0.000 0.266 172 T C 0.614 175.428 174.700 0.189 0.000 1.005 172 T CA -0.028 62.161 62.100 0.149 0.000 0.906 172 T CB -0.275 68.685 68.868 0.153 0.000 1.082 172 T HN 0.607 nan 8.240 nan 0.000 0.531 173 S N 0.964 116.751 115.700 0.146 0.000 2.585 173 S HA 0.383 4.854 4.470 0.001 0.000 0.273 173 S C 1.427 176.082 174.600 0.092 0.000 1.339 173 S CA -0.809 57.464 58.200 0.120 0.000 1.028 173 S CB 0.326 63.594 63.200 0.113 0.000 0.906 173 S HN 0.270 nan 8.310 nan 0.000 0.528 174 I N 1.156 121.753 120.570 0.045 0.000 2.113 174 I HA -0.246 3.925 4.170 0.001 0.000 0.242 174 I C 2.476 178.613 176.117 0.033 0.000 1.064 174 I CA 1.490 62.794 61.300 0.007 0.000 1.320 174 I CB -0.625 37.355 38.000 -0.033 0.000 1.028 174 I HN 0.621 nan 8.210 nan 0.000 0.406 175 L N 0.590 121.840 121.223 0.045 0.000 1.971 175 L HA -0.295 4.046 4.340 0.001 0.000 0.215 175 L C 2.595 179.530 176.870 0.108 0.000 1.072 175 L CA 1.998 56.876 54.840 0.063 0.000 0.758 175 L CB -0.843 41.254 42.059 0.064 0.000 0.889 175 L HN 0.275 nan 8.230 nan 0.000 0.433 176 Q N -1.042 118.853 119.800 0.159 0.000 2.124 176 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 176 Q C 2.293 178.514 176.000 0.369 0.000 0.977 176 Q CA 1.426 57.391 55.803 0.271 0.000 0.850 176 Q CB -0.167 28.787 28.738 0.361 0.000 0.901 176 Q HN 0.545 nan 8.270 nan 0.000 0.429 177 R N 0.395 121.031 120.500 0.227 0.000 2.096 177 R HA -0.186 4.155 4.340 0.001 0.000 0.240 177 R C 2.377 178.776 176.300 0.166 0.000 1.139 177 R CA 1.609 57.814 56.100 0.175 0.000 0.952 177 R CB -0.311 30.015 30.300 0.044 0.000 0.854 177 R HN 0.175 nan 8.270 nan 0.000 0.436 178 R N 0.641 121.204 120.500 0.105 0.000 2.061 178 R HA -0.106 4.235 4.340 0.001 0.000 0.230 178 R C 2.275 178.620 176.300 0.074 0.000 1.140 178 R CA 1.933 58.074 56.100 0.069 0.000 0.940 178 R CB -0.066 30.255 30.300 0.035 0.000 0.839 178 R HN 0.275 nan 8.270 nan 0.000 0.429 179 V N -2.285 117.674 119.914 0.076 0.000 3.174 179 V HA 0.083 4.204 4.120 0.001 0.000 0.254 179 V C 1.672 177.779 176.094 0.022 0.000 1.120 179 V CA 0.547 62.873 62.300 0.043 0.000 1.114 179 V CB 0.705 32.548 31.823 0.033 0.000 0.756 179 V HN 0.099 nan 8.190 nan 0.000 0.467 180 V N -0.658 119.285 119.914 0.048 0.000 2.521 180 V HA 0.214 4.335 4.120 0.001 0.000 0.239 180 V C 2.104 178.032 176.094 -0.277 0.000 1.053 180 V CA 1.629 63.851 62.300 -0.129 0.000 1.073 180 V CB -0.455 31.291 31.823 -0.128 0.000 0.746 180 V HN 0.470 nan 8.190 nan 0.000 0.476 181 F N -0.033 119.942 119.950 0.042 0.000 2.714 181 F HA 0.341 4.868 4.527 0.001 0.000 0.294 181 F C 1.170 176.986 175.800 0.028 0.000 1.120 181 F CA -0.332 57.692 58.000 0.040 0.000 1.398 181 F CB -0.116 38.916 39.000 0.053 0.000 1.120 181 F HN -0.013 nan 8.300 nan 0.000 0.589 182 R N 0.224 120.823 120.500 0.165 0.000 3.225 182 R HA -0.130 4.211 4.340 0.001 0.000 0.245 182 R C -0.312 176.048 176.300 0.100 0.000 0.928 182 R CA 0.535 56.693 56.100 0.096 0.000 0.632 182 R CB -2.417 27.914 30.300 0.052 0.000 1.038 182 R HN 0.271 nan 8.270 nan 0.000 0.461 183 A N 0.752 123.644 122.820 0.121 0.000 2.566 183 A HA 0.592 4.913 4.320 0.001 0.000 0.292 183 A C -0.173 177.434 177.584 0.038 0.000 1.112 183 A CA -0.755 51.335 52.037 0.089 0.000 0.707 183 A CB 1.353 20.430 19.000 0.129 0.000 1.302 183 A HN 0.353 nan 8.150 nan 0.000 0.409 184 N N 0.143 118.849 118.700 0.009 0.000 2.448 184 N HA 0.267 5.008 4.740 0.001 0.000 0.274 184 N C 0.563 176.035 175.510 -0.064 0.000 1.239 184 N CA -0.492 52.535 53.050 -0.038 0.000 0.982 184 N CB 0.508 38.976 38.487 -0.031 0.000 1.199 184 N HN 0.661 nan 8.380 nan 0.000 0.576 185 R N -0.406 120.003 120.500 -0.151 0.000 2.083 185 R HA -0.102 4.238 4.340 0.001 0.000 0.237 185 R C 1.993 178.325 176.300 0.054 0.000 1.137 185 R CA 1.967 57.924 56.100 -0.239 0.000 0.951 185 R CB -0.860 29.163 30.300 -0.463 0.000 0.851 185 R HN 0.747 nan 8.270 nan 0.000 0.434 186 A N 1.278 124.120 122.820 0.036 0.000 1.883 186 A HA -0.258 4.062 4.320 0.001 0.000 0.217 186 A C 2.090 179.710 177.584 0.059 0.000 1.186 186 A CA 1.756 53.831 52.037 0.063 0.000 0.624 186 A CB -0.543 18.477 19.000 0.032 0.000 0.822 186 A HN 0.440 nan 8.150 nan 0.000 0.444 187 E N -0.379 119.845 120.200 0.040 0.000 2.058 187 E HA -0.154 4.196 4.350 0.001 0.000 0.194 187 E C 1.834 178.457 176.600 0.037 0.000 0.997 187 E CA 1.661 58.084 56.400 0.038 0.000 0.801 187 E CB -0.175 29.548 29.700 0.039 0.000 0.746 187 E HN 0.296 nan 8.360 nan 0.000 0.450 188 V N 1.106 121.044 119.914 0.040 0.000 2.427 188 V HA -0.262 3.859 4.120 0.001 0.000 0.248 188 V C 2.552 178.676 176.094 0.050 0.000 1.051 188 V CA 2.150 64.451 62.300 0.001 0.000 1.048 188 V CB -0.643 31.175 31.823 -0.008 0.000 0.666 188 V HN 0.407 nan 8.190 nan 0.000 0.456 189 Q N 0.243 120.115 119.800 0.120 0.000 2.084 189 Q HA -0.209 4.131 4.340 0.001 0.000 0.202 189 Q C 2.279 178.278 176.000 -0.002 0.000 0.978 189 Q CA 1.952 57.782 55.803 0.045 0.000 0.844 189 Q CB -0.306 28.480 28.738 0.080 0.000 0.898 189 Q HN 0.604 nan 8.270 nan 0.000 0.426 190 A N 0.852 123.680 122.820 0.014 0.000 1.948 190 A HA -0.202 4.119 4.320 0.001 0.000 0.220 190 A C 1.973 179.553 177.584 -0.007 0.000 1.177 190 A CA 1.478 53.515 52.037 -0.001 0.000 0.636 190 A CB -0.736 18.269 19.000 0.008 0.000 0.815 190 A HN 0.510 nan 8.150 nan 0.000 0.449 191 I N -0.249 120.324 120.570 0.005 0.000 2.127 191 I HA -0.335 3.835 4.170 0.001 0.000 0.241 191 I C 2.992 179.122 176.117 0.022 0.000 1.075 191 I CA 1.312 62.621 61.300 0.015 0.000 1.334 191 I CB -0.390 37.618 38.000 0.013 0.000 1.040 191 I HN 0.360 nan 8.210 nan 0.000 0.405 192 A N 0.711 123.544 122.820 0.022 0.000 1.877 192 A HA -0.243 4.078 4.320 0.001 0.000 0.216 192 A C 2.462 180.023 177.584 -0.037 0.000 1.186 192 A CA 2.651 54.698 52.037 0.017 0.000 0.620 192 A CB -1.338 17.553 19.000 -0.182 0.000 0.822 192 A HN 0.543 nan 8.150 nan 0.000 0.443 193 T N -2.312 112.195 114.554 -0.078 0.000 2.821 193 T HA -0.118 4.233 4.350 0.001 0.000 0.267 193 T C 1.318 175.955 174.700 -0.104 0.000 1.046 193 T CA 1.454 63.502 62.100 -0.086 0.000 1.139 193 T CB -0.443 68.384 68.868 -0.070 0.000 0.871 193 T HN 0.348 nan 8.240 nan 0.000 0.454 194 D N 1.764 122.114 120.400 -0.083 0.000 2.144 194 D HA 0.046 4.687 4.640 0.001 0.000 0.200 194 D C 2.437 178.643 176.300 -0.157 0.000 0.978 194 D CA 1.274 55.216 54.000 -0.096 0.000 0.833 194 D CB -1.008 39.757 40.800 -0.057 0.000 0.961 194 D HN 0.554 nan 8.370 nan 0.000 0.470 195 G N 1.056 109.755 108.800 -0.169 0.000 2.476 195 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 195 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 195 G C 1.737 176.209 174.900 -0.713 0.000 1.164 195 G CA 1.601 46.493 45.100 -0.347 0.000 0.768 195 G HN 0.411 nan 8.290 nan 0.000 0.560 196 A N 0.552 122.992 122.820 -0.633 0.000 1.877 196 A HA -0.034 4.286 4.320 0.001 0.000 0.216 196 A C 2.443 179.755 177.584 -0.452 0.000 1.186 196 A CA 1.800 53.469 52.037 -0.613 0.000 0.620 196 A CB -0.457 18.438 19.000 -0.176 0.000 0.822 196 A HN 0.366 nan 8.150 nan 0.000 0.443 197 R N -0.793 119.531 120.500 -0.293 0.000 2.083 197 R HA -0.173 4.168 4.340 0.001 0.000 0.237 197 R C 2.345 178.503 176.300 -0.237 0.000 1.137 197 R CA 1.811 57.781 56.100 -0.217 0.000 0.951 197 R CB -0.228 29.983 30.300 -0.147 0.000 0.851 197 R HN 0.452 nan 8.270 nan 0.000 0.434 198 K N 0.518 120.766 120.400 -0.254 0.000 2.057 198 K HA -0.128 4.192 4.320 0.001 0.000 0.207 198 K C 1.920 178.341 176.600 -0.298 0.000 1.049 198 K CA 1.669 57.813 56.287 -0.238 0.000 0.931 198 K CB -0.442 31.942 32.500 -0.193 0.000 0.714 198 K HN 0.161 nan 8.250 nan 0.000 0.440 199 C N -0.512 118.570 119.300 -0.363 0.000 2.429 199 C HA -0.057 4.404 4.460 0.001 0.000 0.277 199 C C 2.537 177.365 174.990 -0.271 0.000 1.262 199 C CA 0.764 59.623 59.018 -0.266 0.000 1.733 199 C CB -0.719 26.767 27.740 -0.425 0.000 2.010 199 C HN 0.308 nan 8.230 nan 0.000 0.483 200 V N 1.027 120.738 119.914 -0.338 0.000 2.287 200 V HA -0.263 3.858 4.120 0.001 0.000 0.248 200 V C 2.578 178.586 176.094 -0.142 0.000 1.053 200 V CA 2.367 64.564 62.300 -0.171 0.000 1.027 200 V CB -0.811 30.914 31.823 -0.162 0.000 0.646 200 V HN 0.640 nan 8.190 nan 0.000 0.447 201 E N -0.250 119.834 120.200 -0.192 0.000 2.058 201 E HA -0.289 4.062 4.350 0.001 0.000 0.194 201 E C 2.278 178.725 176.600 -0.256 0.000 0.997 201 E CA 1.584 57.876 56.400 -0.181 0.000 0.801 201 E CB -0.122 29.479 29.700 -0.165 0.000 0.746 201 E HN 0.562 nan 8.360 nan 0.000 0.450 202 Q N -0.068 119.454 119.800 -0.464 0.000 2.124 202 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 202 Q C 2.090 177.666 176.000 -0.707 0.000 0.977 202 Q CA 1.443 56.772 55.803 -0.790 0.000 0.850 202 Q CB -0.393 27.357 28.738 -1.646 0.000 0.901 202 Q HN 0.403 nan 8.270 nan 0.000 0.429 203 A N 0.863 123.359 122.820 -0.540 0.000 1.930 203 A HA 0.011 4.331 4.320 0.001 0.000 0.217 203 A C 2.305 179.979 177.584 0.149 0.000 1.175 203 A CA 1.543 53.489 52.037 -0.152 0.000 0.627 203 A CB -0.523 18.616 19.000 0.231 0.000 0.815 203 A HN 0.346 nan 8.150 nan 0.000 0.443 204 A N -0.452 122.402 122.820 0.055 0.000 2.019 204 A HA 0.070 4.391 4.320 0.001 0.000 0.219 204 A C 2.269 179.874 177.584 0.035 0.000 1.164 204 A CA 2.346 54.423 52.037 0.066 0.000 0.644 204 A CB -0.721 18.288 19.000 0.016 0.000 0.805 204 A HN 0.666 nan 8.150 nan 0.000 0.449 205 K N -1.500 118.881 120.400 -0.032 0.000 2.366 205 K HA 0.091 4.412 4.320 0.001 0.000 0.198 205 K C 0.207 176.687 176.600 -0.200 0.000 1.044 205 K CA 0.841 57.039 56.287 -0.148 0.000 0.973 205 K CB -0.585 31.757 32.500 -0.263 0.000 0.767 205 K HN 0.634 nan 8.250 nan 0.000 0.475 206 Y N 1.376 121.784 120.300 0.179 0.000 2.837 206 Y HA 0.253 4.803 4.550 0.001 0.000 0.356 206 Y C -2.361 173.807 175.900 0.446 0.000 1.035 206 Y CA -3.230 55.100 58.100 0.383 0.000 1.165 206 Y CB 0.974 39.839 38.460 0.674 0.000 1.147 206 Y HN 0.074 nan 8.280 nan 0.000 0.628 207 P HA 0.203 nan 4.420 nan 0.000 0.271 207 P C 0.957 178.359 177.300 0.169 0.000 1.233 207 P CA 1.197 64.435 63.100 0.230 0.000 0.789 207 P CB 1.717 33.495 31.700 0.130 0.000 0.951 208 G N 0.379 109.227 108.800 0.080 0.000 3.079 208 G HA2 -0.215 3.746 3.960 0.001 0.000 0.214 208 G HA3 -0.215 3.746 3.960 0.001 0.000 0.214 208 G C 0.217 175.056 174.900 -0.103 0.000 1.335 208 G CA 0.257 45.361 45.100 0.006 0.000 0.822 208 G HN 0.708 nan 8.290 nan 0.000 0.545 209 T N 2.660 117.091 114.554 -0.204 0.000 2.853 209 T HA 0.518 4.868 4.350 0.001 0.000 0.298 209 T C 0.791 175.099 174.700 -0.654 0.000 0.978 209 T CA 1.136 62.871 62.100 -0.608 0.000 1.152 209 T CB 1.210 69.335 68.868 -1.238 0.000 0.914 209 T HN 1.220 nan 8.240 nan 0.000 0.539 210 Q N 3.780 123.291 119.800 -0.482 0.000 2.431 210 Q HA 0.198 4.539 4.340 0.001 0.000 0.234 210 Q C -0.375 175.416 176.000 -0.348 0.000 1.203 210 Q CA -0.389 55.232 55.803 -0.304 0.000 0.902 210 Q CB -0.591 28.038 28.738 -0.181 0.000 1.455 210 Q HN 0.826 nan 8.270 nan 0.000 0.515 211 W N 2.076 123.325 121.300 -0.085 0.000 2.304 211 W HA 0.431 5.092 4.660 0.001 0.000 0.313 211 W C 0.814 177.085 176.519 -0.413 0.000 1.323 211 W CA -0.445 56.755 57.345 -0.241 0.000 1.223 211 W CB 0.926 30.318 29.460 -0.113 0.000 1.237 211 W HN 0.508 nan 8.180 nan 0.000 0.535 212 R N 2.470 122.792 120.500 -0.297 0.000 2.854 212 R HA 0.634 4.974 4.340 0.001 0.000 0.271 212 R C -1.289 174.652 176.300 -0.598 0.000 0.996 212 R CA -1.261 54.622 56.100 -0.363 0.000 0.961 212 R CB 1.900 32.113 30.300 -0.146 0.000 1.182 212 R HN 0.335 nan 8.270 nan 0.000 0.479 213 F N 0.023 120.061 119.950 0.146 0.000 2.538 213 F HA 0.420 4.947 4.527 0.001 0.000 0.325 213 F C 0.282 176.107 175.800 0.041 0.000 1.066 213 F CA -0.743 57.364 58.000 0.178 0.000 0.946 213 F CB 2.086 41.271 39.000 0.309 0.000 1.199 213 F HN 0.384 nan 8.300 nan 0.000 0.473 214 E N 1.450 121.793 120.200 0.237 0.000 2.275 214 E HA 0.327 4.678 4.350 0.001 0.000 0.270 214 E C -2.236 174.309 176.600 -0.092 0.000 0.882 214 E CA -0.782 55.603 56.400 -0.024 0.000 0.758 214 E CB 2.091 31.681 29.700 -0.184 0.000 1.195 214 E HN 0.603 nan 8.360 nan 0.000 0.419 215 Y N 2.336 122.490 120.300 -0.242 0.000 2.376 215 Y HA 0.522 5.073 4.550 0.001 0.000 0.340 215 Y C -1.461 174.429 175.900 -0.017 0.000 0.965 215 Y CA -0.655 57.254 58.100 -0.319 0.000 1.078 215 Y CB 1.988 40.298 38.460 -0.249 0.000 1.193 215 Y HN 0.390 nan 8.280 nan 0.000 0.452 216 S N 8.187 123.346 115.700 -0.901 0.000 2.519 216 S HA 0.402 4.872 4.470 0.001 0.000 0.309 216 S C -2.960 171.010 174.600 -1.049 0.000 1.100 216 S CA -1.517 56.266 58.200 -0.694 0.000 1.059 216 S CB 1.626 64.737 63.200 -0.147 0.000 1.008 216 S HN 0.475 nan 8.310 nan 0.000 0.478 217 P HA 0.097 nan 4.420 nan 0.000 0.268 217 P C -0.159 177.131 177.300 -0.016 0.000 1.485 217 P CA -0.156 62.844 63.100 -0.167 0.000 1.102 217 P CB 0.154 31.875 31.700 0.035 0.000 1.501 218 E N 2.601 122.820 120.200 0.031 0.000 2.392 218 E HA 0.026 4.377 4.350 0.001 0.000 0.264 218 E C 0.020 176.696 176.600 0.127 0.000 1.024 218 E CA 0.297 56.743 56.400 0.076 0.000 0.903 218 E CB 0.282 30.109 29.700 0.212 0.000 0.963 218 E HN 0.335 nan 8.360 nan 0.000 0.432 219 S N 2.537 118.308 115.700 0.118 0.000 3.749 219 S HA -0.261 4.210 4.470 0.001 0.000 0.348 219 S C 0.407 175.110 174.600 0.172 0.000 1.045 219 S CA 0.956 59.241 58.200 0.143 0.000 1.051 219 S CB -2.118 61.170 63.200 0.146 0.000 0.898 219 S HN 0.710 nan 8.310 nan 0.000 0.472 220 Y N 2.305 122.645 120.300 0.066 0.000 2.207 220 Y HA -0.227 4.324 4.550 0.001 0.000 0.287 220 Y C 2.310 178.291 175.900 0.136 0.000 1.156 220 Y CA 2.265 60.414 58.100 0.082 0.000 1.182 220 Y CB -0.674 37.823 38.460 0.061 0.000 0.979 220 Y HN 0.595 nan 8.280 nan 0.000 0.521 221 T N -3.167 111.393 114.554 0.010 0.000 3.035 221 T HA 0.033 4.384 4.350 0.001 0.000 0.268 221 T C 1.829 176.609 174.700 0.132 0.000 1.109 221 T CA 0.830 62.934 62.100 0.006 0.000 1.119 221 T CB -0.695 68.255 68.868 0.137 0.000 0.900 221 T HN 0.414 nan 8.240 nan 0.000 0.503 222 G N 0.714 109.567 108.800 0.088 0.000 3.284 222 G HA2 0.354 4.314 3.960 0.001 0.000 0.236 222 G HA3 0.354 4.314 3.960 0.001 0.000 0.236 222 G C 0.046 174.951 174.900 0.008 0.000 1.158 222 G CA -0.329 44.806 45.100 0.058 0.000 0.774 222 G HN 0.487 nan 8.290 nan 0.000 0.545 223 T N 0.977 115.522 114.554 -0.015 0.000 2.856 223 T HA 0.417 4.768 4.350 0.001 0.000 0.283 223 T C -0.620 174.055 174.700 -0.040 0.000 1.008 223 T CA -0.561 61.553 62.100 0.025 0.000 0.997 223 T CB 2.216 71.146 68.868 0.104 0.000 0.992 223 T HN 0.171 nan 8.240 nan 0.000 0.454 224 E N 1.777 121.982 120.200 0.008 0.000 2.384 224 E HA 0.134 4.485 4.350 0.001 0.000 0.266 224 E C 0.960 177.547 176.600 -0.022 0.000 1.012 224 E CA -0.136 56.240 56.400 -0.040 0.000 0.901 224 E CB 0.461 30.151 29.700 -0.016 0.000 0.967 224 E HN 0.479 nan 8.360 nan 0.000 0.435 225 L N 2.498 123.625 121.223 -0.160 0.000 2.042 225 L HA -0.274 4.067 4.340 0.001 0.000 0.210 225 L C 2.700 179.538 176.870 -0.054 0.000 1.076 225 L CA 2.074 56.798 54.840 -0.193 0.000 0.749 225 L CB -0.659 41.008 42.059 -0.653 0.000 0.893 225 L HN 0.831 nan 8.230 nan 0.000 0.432 226 E N -0.564 119.577 120.200 -0.099 0.000 2.085 226 E HA -0.345 4.006 4.350 0.001 0.000 0.194 226 E C 1.902 178.633 176.600 0.218 0.000 0.994 226 E CA 1.903 58.390 56.400 0.145 0.000 0.801 226 E CB -1.247 28.511 29.700 0.098 0.000 0.743 226 E HN 0.700 nan 8.360 nan 0.000 0.453 227 Y N 0.200 120.526 120.300 0.044 0.000 2.263 227 Y HA 0.135 4.686 4.550 0.001 0.000 0.292 227 Y C 2.831 178.780 175.900 0.082 0.000 1.130 227 Y CA 1.358 59.486 58.100 0.048 0.000 1.179 227 Y CB -0.152 38.318 38.460 0.017 0.000 0.998 227 Y HN 0.337 nan 8.280 nan 0.000 0.532 228 A N 0.801 123.632 122.820 0.018 0.000 1.883 228 A HA -0.243 4.078 4.320 0.001 0.000 0.217 228 A C 2.256 179.833 177.584 -0.011 0.000 1.186 228 A CA 1.986 54.031 52.037 0.013 0.000 0.624 228 A CB -0.801 18.361 19.000 0.271 0.000 0.822 228 A HN 0.506 nan 8.150 nan 0.000 0.444 229 K N -0.420 120.054 120.400 0.123 0.000 2.044 229 K HA -0.264 4.057 4.320 0.001 0.000 0.210 229 K C 2.236 178.813 176.600 -0.039 0.000 1.049 229 K CA 1.987 58.319 56.287 0.075 0.000 0.927 229 K CB -0.290 32.358 32.500 0.247 0.000 0.713 229 K HN 0.653 nan 8.250 nan 0.000 0.443 230 Q N 0.055 119.850 119.800 -0.008 0.000 2.061 230 Q HA -0.160 4.180 4.340 0.001 0.000 0.204 230 Q C 2.174 178.094 176.000 -0.134 0.000 0.984 230 Q CA 1.919 57.702 55.803 -0.034 0.000 0.846 230 Q CB -0.049 28.722 28.738 0.055 0.000 0.902 230 Q HN 0.184 nan 8.270 nan 0.000 0.421 231 V N -0.109 119.648 119.914 -0.262 0.000 2.307 231 V HA -0.296 3.824 4.120 0.001 0.000 0.245 231 V C 2.365 178.283 176.094 -0.294 0.000 1.045 231 V CA 1.471 63.597 62.300 -0.291 0.000 1.024 231 V CB -0.598 31.003 31.823 -0.370 0.000 0.651 231 V HN 0.509 nan 8.190 nan 0.000 0.449 232 C N 0.215 119.310 119.300 -0.341 0.000 2.413 232 C HA -0.174 4.287 4.460 0.001 0.000 0.277 232 C C 2.605 177.299 174.990 -0.492 0.000 1.228 232 C CA 1.079 59.666 59.018 -0.717 0.000 1.731 232 C CB -1.099 25.957 27.740 -1.140 0.000 2.042 232 C HN 0.596 nan 8.230 nan 0.000 0.468 233 D N 0.844 121.078 120.400 -0.277 0.000 2.133 233 D HA -0.143 4.498 4.640 0.001 0.000 0.192 233 D C 2.253 178.542 176.300 -0.018 0.000 1.001 233 D CA 1.969 55.923 54.000 -0.076 0.000 0.844 233 D CB -0.561 40.209 40.800 -0.050 0.000 0.944 233 D HN 0.525 nan 8.370 nan 0.000 0.447 234 A N 0.297 123.079 122.820 -0.064 0.000 1.898 234 A HA -0.125 4.196 4.320 0.001 0.000 0.216 234 A C 2.558 180.123 177.584 -0.031 0.000 1.181 234 A CA 1.275 53.285 52.037 -0.045 0.000 0.620 234 A CB -0.753 18.207 19.000 -0.067 0.000 0.819 234 A HN 0.155 nan 8.150 nan 0.000 0.442 235 V N -0.007 119.869 119.914 -0.064 0.000 2.295 235 V HA -0.197 3.924 4.120 0.001 0.000 0.246 235 V C 2.832 179.017 176.094 0.152 0.000 1.049 235 V CA 2.019 64.321 62.300 0.003 0.000 1.024 235 V CB -1.443 30.313 31.823 -0.112 0.000 0.648 235 V HN 0.620 nan 8.190 nan 0.000 0.447 236 G N -0.560 108.412 108.800 0.287 0.000 2.446 236 G HA2 -0.254 3.707 3.960 0.001 0.000 0.217 236 G HA3 -0.254 3.707 3.960 0.001 0.000 0.217 236 G C 1.450 176.432 174.900 0.136 0.000 1.168 236 G CA 0.788 46.069 45.100 0.302 0.000 0.771 236 G HN 0.468 nan 8.290 nan 0.000 0.551 237 E N 0.285 120.539 120.200 0.089 0.000 2.114 237 E HA -0.139 4.212 4.350 0.001 0.000 0.199 237 E C 2.852 179.468 176.600 0.026 0.000 1.008 237 E CA 1.187 57.615 56.400 0.046 0.000 0.810 237 E CB -0.593 29.122 29.700 0.024 0.000 0.739 237 E HN 0.350 nan 8.360 nan 0.000 0.456 238 V N 1.575 121.497 119.914 0.013 0.000 2.270 238 V HA -0.219 3.902 4.120 0.001 0.000 0.245 238 V C 2.382 178.462 176.094 -0.024 0.000 1.043 238 V CA 1.238 63.525 62.300 -0.022 0.000 1.014 238 V CB -0.358 31.429 31.823 -0.060 0.000 0.645 238 V HN 0.196 nan 8.190 nan 0.000 0.447 239 I N 0.245 120.813 120.570 -0.003 0.000 2.394 239 I HA -0.015 4.156 4.170 0.001 0.000 0.251 239 I C 1.568 177.722 176.117 0.061 0.000 1.136 239 I CA 1.244 62.546 61.300 0.003 0.000 1.425 239 I CB -1.678 36.356 38.000 0.056 0.000 1.079 239 I HN 0.435 nan 8.210 nan 0.000 0.425 240 A N 1.226 124.081 122.820 0.059 0.000 2.578 240 A HA -0.131 4.190 4.320 0.001 0.000 0.298 240 A C -1.665 175.960 177.584 0.070 0.000 1.472 240 A CA -0.052 52.021 52.037 0.059 0.000 0.734 240 A CB -2.328 16.701 19.000 0.048 0.000 1.091 240 A HN 0.342 nan 8.150 nan 0.000 0.426 241 P HA 0.460 nan 4.420 nan 0.000 0.272 241 P C 0.301 177.625 177.300 0.040 0.000 1.223 241 P CA 0.819 63.951 63.100 0.053 0.000 0.784 241 P CB 0.956 32.663 31.700 0.011 0.000 0.923 242 T N -2.672 111.903 114.554 0.035 0.000 2.916 242 T HA 0.440 4.791 4.350 0.001 0.000 0.292 242 T C -2.234 172.475 174.700 0.015 0.000 1.064 242 T CA -2.228 59.888 62.100 0.026 0.000 1.011 242 T CB 1.283 70.168 68.868 0.030 0.000 1.152 242 T HN 0.001 nan 8.240 nan 0.000 0.510 243 P HA -0.104 nan 4.420 nan 0.000 0.217 243 P C 0.963 178.264 177.300 0.003 0.000 1.151 243 P CA 1.244 64.347 63.100 0.004 0.000 0.849 243 P CB 0.048 31.751 31.700 0.004 0.000 0.787 244 E N -1.327 118.878 120.200 0.008 0.000 2.208 244 E HA -0.018 4.333 4.350 0.001 0.000 0.193 244 E C 1.509 178.115 176.600 0.010 0.000 0.988 244 E CA 0.999 57.403 56.400 0.007 0.000 0.828 244 E CB -0.377 29.330 29.700 0.011 0.000 0.763 244 E HN 0.118 nan 8.360 nan 0.000 0.478 245 R N 1.568 122.079 120.500 0.019 0.000 2.748 245 R HA 0.277 4.618 4.340 0.001 0.000 0.283 245 R C -2.795 173.521 176.300 0.027 0.000 1.507 245 R CA -1.669 54.448 56.100 0.029 0.000 1.666 245 R CB -0.813 29.520 30.300 0.056 0.000 1.237 245 R HN 0.037 nan 8.270 nan 0.000 0.633 246 P HA 0.322 nan 4.420 nan 0.000 0.274 246 P C -0.226 177.049 177.300 -0.042 0.000 1.246 246 P CA -0.503 62.581 63.100 -0.026 0.000 0.795 246 P CB 1.212 32.887 31.700 -0.041 0.000 1.006 247 I N 0.855 121.351 120.570 -0.123 0.000 2.488 247 I HA 0.316 4.487 4.170 0.001 0.000 0.299 247 I C -0.127 175.797 176.117 -0.322 0.000 0.984 247 I CA -1.413 59.759 61.300 -0.214 0.000 1.250 247 I CB 0.768 38.543 38.000 -0.376 0.000 1.389 247 I HN 0.149 nan 8.210 nan 0.000 0.488 248 I N 7.144 127.556 120.570 -0.263 0.000 2.325 248 I HA 0.205 4.375 4.170 0.001 0.000 0.291 248 I C -0.858 175.079 176.117 -0.298 0.000 1.019 248 I CA -0.050 61.107 61.300 -0.238 0.000 1.302 248 I CB 0.464 38.370 38.000 -0.156 0.000 1.401 248 I HN 0.354 nan 8.210 nan 0.000 0.485 249 F N 5.012 124.930 119.950 -0.053 0.000 2.361 249 F HA 0.290 4.817 4.527 0.001 0.000 0.364 249 F C 0.466 176.168 175.800 -0.164 0.000 1.120 249 F CA -0.717 57.235 58.000 -0.080 0.000 1.102 249 F CB 0.861 39.843 39.000 -0.031 0.000 1.183 249 F HN 0.480 nan 8.300 nan 0.000 0.476 250 N N 4.830 123.499 118.700 -0.052 0.000 2.419 250 N HA 0.427 5.168 4.740 0.001 0.000 0.277 250 N C -1.324 174.062 175.510 -0.207 0.000 1.006 250 N CA -0.422 52.535 53.050 -0.154 0.000 0.923 250 N CB 0.899 39.226 38.487 -0.265 0.000 1.140 250 N HN 0.536 nan 8.380 nan 0.000 0.488 251 L N 5.120 126.203 121.223 -0.234 0.000 2.335 251 L HA 0.480 4.821 4.340 0.001 0.000 0.268 251 L C -2.208 174.606 176.870 -0.094 0.000 1.037 251 L CA -1.800 52.764 54.840 -0.460 0.000 0.895 251 L CB 1.173 42.614 42.059 -1.030 0.000 1.266 251 L HN 0.403 nan 8.230 nan 0.000 0.439 252 P HA 0.160 nan 4.420 nan 0.000 0.285 252 P C -0.302 177.086 177.300 0.147 0.000 1.259 252 P CA -0.428 62.691 63.100 0.031 0.000 0.794 252 P CB 1.760 33.355 31.700 -0.174 0.000 0.940 253 A N 3.325 126.150 122.820 0.007 0.000 3.037 253 A HA 0.199 4.520 4.320 0.001 0.000 0.272 253 A C 1.539 179.043 177.584 -0.133 0.000 1.723 253 A CA -0.028 51.974 52.037 -0.057 0.000 1.413 253 A CB -1.259 17.556 19.000 -0.308 0.000 1.112 253 A HN 0.513 nan 8.150 nan 0.000 0.606 254 T N 0.236 114.761 114.554 -0.048 0.000 2.624 254 T HA -0.124 4.227 4.350 0.001 0.000 0.268 254 T C 0.905 175.740 174.700 0.225 0.000 1.041 254 T CA 1.800 63.921 62.100 0.035 0.000 1.159 254 T CB -0.236 68.676 68.868 0.074 0.000 0.863 254 T HN 0.311 nan 8.240 nan 0.000 0.434 255 V N 1.774 121.776 119.914 0.147 0.000 2.427 255 V HA 0.282 4.402 4.120 0.001 0.000 0.286 255 V C 0.067 176.207 176.094 0.077 0.000 1.034 255 V CA -1.114 61.267 62.300 0.134 0.000 0.893 255 V CB 1.609 33.502 31.823 0.118 0.000 0.982 255 V HN 0.340 nan 8.190 nan 0.000 0.452 256 E N 3.785 124.012 120.200 0.045 0.000 2.220 256 E HA 0.172 4.523 4.350 0.001 0.000 0.272 256 E C 0.470 177.064 176.600 -0.011 0.000 1.099 256 E CA 0.000 56.380 56.400 -0.033 0.000 0.907 256 E CB 0.651 30.317 29.700 -0.056 0.000 1.022 256 E HN 0.679 nan 8.360 nan 0.000 0.428 257 M N 2.694 122.280 119.600 -0.023 0.000 2.491 257 M HA 0.095 4.575 4.480 0.001 0.000 0.259 257 M C 0.726 177.001 176.300 -0.042 0.000 1.163 257 M CA 0.335 55.663 55.300 0.046 0.000 1.109 257 M CB 1.039 33.775 32.600 0.227 0.000 1.353 257 M HN 0.445 nan 8.290 nan 0.000 0.500 258 T N -0.715 113.709 114.554 -0.217 0.000 2.671 258 T HA 0.281 4.632 4.350 0.001 0.000 0.300 258 T C -0.779 173.802 174.700 -0.198 0.000 1.238 258 T CA -0.569 61.373 62.100 -0.264 0.000 1.020 258 T CB 1.146 69.637 68.868 -0.628 0.000 1.503 258 T HN 0.264 nan 8.240 nan 0.000 0.497 259 T N 1.775 116.241 114.554 -0.146 0.000 2.903 259 T HA 0.281 4.631 4.350 0.001 0.000 0.314 259 T C -1.568 173.080 174.700 -0.086 0.000 1.078 259 T CA -0.830 61.220 62.100 -0.082 0.000 1.114 259 T CB 0.446 69.296 68.868 -0.029 0.000 0.987 259 T HN 0.456 nan 8.240 nan 0.000 0.548 260 P HA -0.139 nan 4.420 nan 0.000 0.218 260 P C 1.488 178.716 177.300 -0.120 0.000 1.149 260 P CA 1.019 64.080 63.100 -0.065 0.000 0.817 260 P CB -0.102 31.562 31.700 -0.060 0.000 0.785 261 N N 0.732 119.378 118.700 -0.090 0.000 2.149 261 N HA -0.112 4.629 4.740 0.001 0.000 0.188 261 N C 1.543 177.054 175.510 0.002 0.000 1.019 261 N CA 1.487 54.497 53.050 -0.066 0.000 0.857 261 N CB -1.472 37.209 38.487 0.322 0.000 0.997 261 N HN 0.065 nan 8.380 nan 0.000 0.426 262 V N 0.307 120.221 119.914 -0.001 0.000 2.453 262 V HA -0.170 3.950 4.120 0.001 0.000 0.247 262 V C 2.278 178.352 176.094 -0.033 0.000 1.048 262 V CA 1.213 63.502 62.300 -0.018 0.000 1.049 262 V CB -1.069 30.664 31.823 -0.151 0.000 0.672 262 V HN 0.175 nan 8.190 nan 0.000 0.457 263 Y N 1.801 121.989 120.300 -0.186 0.000 2.097 263 Y HA -0.286 4.265 4.550 0.001 0.000 0.282 263 Y C 2.453 178.277 175.900 -0.127 0.000 1.152 263 Y CA 1.641 59.667 58.100 -0.124 0.000 1.136 263 Y CB -0.700 37.687 38.460 -0.122 0.000 0.975 263 Y HN 0.153 nan 8.280 nan 0.000 0.498 264 A N -0.066 122.574 122.820 -0.300 0.000 1.908 264 A HA -0.209 4.111 4.320 0.001 0.000 0.218 264 A C 2.001 179.333 177.584 -0.419 0.000 1.181 264 A CA 2.017 53.671 52.037 -0.639 0.000 0.627 264 A CB -0.909 17.255 19.000 -1.394 0.000 0.818 264 A HN 0.530 nan 8.150 nan 0.000 0.445 265 D N -0.021 120.332 120.400 -0.079 0.000 2.123 265 D HA -0.150 4.490 4.640 0.001 0.000 0.196 265 D C 2.519 178.929 176.300 0.182 0.000 0.992 265 D CA 1.901 56.066 54.000 0.276 0.000 0.833 265 D CB -0.367 40.612 40.800 0.298 0.000 0.954 265 D HN 0.581 nan 8.370 nan 0.000 0.455 266 S N 0.328 116.072 115.700 0.073 0.000 2.382 266 S HA -0.139 4.332 4.470 0.001 0.000 0.228 266 S C 2.052 176.759 174.600 0.178 0.000 1.027 266 S CA 0.650 58.926 58.200 0.128 0.000 0.991 266 S CB -0.308 62.922 63.200 0.050 0.000 0.823 266 S HN 0.090 nan 8.310 nan 0.000 0.469 267 I N 2.353 122.897 120.570 -0.045 0.000 2.202 267 I HA -0.075 4.096 4.170 0.001 0.000 0.242 267 I C 2.793 178.938 176.117 0.045 0.000 1.091 267 I CA 1.530 62.783 61.300 -0.077 0.000 1.368 267 I CB -1.615 36.233 38.000 -0.253 0.000 1.058 267 I HN 0.524 nan 8.210 nan 0.000 0.410 268 E N -0.126 120.129 120.200 0.093 0.000 2.051 268 E HA -0.294 4.057 4.350 0.001 0.000 0.192 268 E C 2.312 179.015 176.600 0.170 0.000 0.991 268 E CA 1.579 58.073 56.400 0.156 0.000 0.799 268 E CB -0.305 29.562 29.700 0.279 0.000 0.748 268 E HN 0.467 nan 8.360 nan 0.000 0.449 269 W N 0.688 122.032 121.300 0.073 0.000 2.335 269 W HA -0.254 4.407 4.660 0.001 0.000 0.311 269 W C 2.065 178.615 176.519 0.053 0.000 1.213 269 W CA 1.716 59.101 57.345 0.067 0.000 1.274 269 W CB -0.060 29.445 29.460 0.075 0.000 1.148 269 W HN 0.125 nan 8.180 nan 0.000 0.498 270 M N -0.530 119.242 119.600 0.286 0.000 2.117 270 M HA -0.192 4.289 4.480 0.001 0.000 0.262 270 M C 2.304 178.574 176.300 -0.050 0.000 1.065 270 M CA 1.939 57.303 55.300 0.107 0.000 1.114 270 M CB -1.886 30.819 32.600 0.175 0.000 1.361 270 M HN 0.086 nan 8.290 nan 0.000 0.408 271 S N -0.145 115.544 115.700 -0.017 0.000 2.383 271 S HA -0.075 4.396 4.470 0.001 0.000 0.227 271 S C 2.066 176.624 174.600 -0.071 0.000 1.026 271 S CA 0.962 59.148 58.200 -0.024 0.000 0.981 271 S CB -0.011 63.192 63.200 0.006 0.000 0.818 271 S HN 0.384 nan 8.310 nan 0.000 0.472 272 R N 0.365 120.791 120.500 -0.124 0.000 2.073 272 R HA 0.020 4.360 4.340 0.001 0.000 0.234 272 R C 1.446 177.589 176.300 -0.261 0.000 1.134 272 R CA 1.931 57.921 56.100 -0.182 0.000 0.952 272 R CB -0.238 29.924 30.300 -0.230 0.000 0.850 272 R HN 0.501 nan 8.270 nan 0.000 0.433 273 N N -0.785 117.663 118.700 -0.420 0.000 2.282 273 N HA 0.112 4.853 4.740 0.001 0.000 0.185 273 N C -0.383 174.954 175.510 -0.290 0.000 1.099 273 N CA -0.253 52.507 53.050 -0.484 0.000 0.878 273 N CB 0.509 38.390 38.487 -1.010 0.000 0.993 273 N HN -0.033 nan 8.380 nan 0.000 0.481 274 L N 1.703 122.816 121.223 -0.184 0.000 2.525 274 L HA 0.123 4.464 4.340 0.001 0.000 0.278 274 L C 0.625 177.477 176.870 -0.029 0.000 1.218 274 L CA -0.595 54.199 54.840 -0.075 0.000 0.878 274 L CB 0.295 42.357 42.059 0.005 0.000 1.127 274 L HN 0.117 nan 8.230 nan 0.000 0.492 275 A N 3.306 126.124 122.820 -0.003 0.000 2.445 275 A HA 0.120 4.441 4.320 0.001 0.000 0.242 275 A C 0.954 178.576 177.584 0.062 0.000 1.075 275 A CA 0.003 52.052 52.037 0.020 0.000 0.777 275 A CB -0.017 18.999 19.000 0.027 0.000 1.013 275 A HN 0.937 nan 8.150 nan 0.000 0.493 276 N N -0.981 117.744 118.700 0.042 0.000 2.738 276 N HA -0.182 4.558 4.740 0.001 0.000 0.249 276 N C 0.679 176.220 175.510 0.051 0.000 1.047 276 N CA 1.105 54.184 53.050 0.048 0.000 0.707 276 N CB -0.763 37.764 38.487 0.066 0.000 0.937 276 N HN 0.816 nan 8.380 nan 0.000 0.545 277 R N 0.713 121.233 120.500 0.034 0.000 2.096 277 R HA -0.051 4.289 4.340 0.001 0.000 0.235 277 R C 1.202 177.515 176.300 0.023 0.000 1.127 277 R CA 2.133 58.252 56.100 0.033 0.000 0.968 277 R CB -0.103 30.201 30.300 0.006 0.000 0.861 277 R HN 0.390 nan 8.270 nan 0.000 0.440 278 E N -0.633 119.575 120.200 0.013 0.000 2.516 278 E HA 0.036 4.386 4.350 0.001 0.000 0.199 278 E C 0.603 177.206 176.600 0.005 0.000 1.069 278 E CA 0.846 57.250 56.400 0.007 0.000 0.876 278 E CB 0.352 30.054 29.700 0.003 0.000 0.843 278 E HN 0.190 nan 8.360 nan 0.000 0.530 279 S N -0.334 115.372 115.700 0.010 0.000 2.568 279 S HA 0.191 4.662 4.470 0.001 0.000 0.232 279 S C 0.123 174.705 174.600 -0.030 0.000 0.975 279 S CA -0.309 57.890 58.200 -0.002 0.000 0.949 279 S CB 0.699 63.904 63.200 0.010 0.000 0.829 279 S HN -0.073 nan 8.310 nan 0.000 0.479 280 V N 2.335 122.238 119.914 -0.019 0.000 2.459 280 V HA 0.455 4.576 4.120 0.001 0.000 0.295 280 V C -0.391 175.678 176.094 -0.041 0.000 1.029 280 V CA -0.712 61.559 62.300 -0.049 0.000 0.874 280 V CB 1.683 33.549 31.823 0.072 0.000 0.985 280 V HN 0.312 nan 8.190 nan 0.000 0.438 281 I N 5.545 126.065 120.570 -0.083 0.000 2.306 281 I HA 0.266 4.437 4.170 0.001 0.000 0.288 281 I C -0.468 175.626 176.117 -0.039 0.000 1.036 281 I CA -0.470 60.796 61.300 -0.056 0.000 1.221 281 I CB 1.305 39.262 38.000 -0.071 0.000 1.385 281 I HN 0.375 nan 8.210 nan 0.000 0.472 282 L N 7.192 128.414 121.223 -0.001 0.000 2.283 282 L HA 0.353 4.693 4.340 0.001 0.000 0.287 282 L C 0.168 177.027 176.870 -0.018 0.000 1.073 282 L CA 0.643 55.492 54.840 0.015 0.000 0.822 282 L CB 0.856 42.931 42.059 0.027 0.000 1.186 282 L HN 0.547 nan 8.230 nan 0.000 0.436 283 S N 5.341 121.019 115.700 -0.037 0.000 2.537 283 S HA 0.761 5.232 4.470 0.001 0.000 0.301 283 S C -0.706 173.874 174.600 -0.034 0.000 1.092 283 S CA -0.769 57.400 58.200 -0.053 0.000 1.048 283 S CB 0.840 63.993 63.200 -0.078 0.000 1.053 283 S HN 0.551 nan 8.310 nan 0.000 0.501 284 L N 3.465 124.689 121.223 0.002 0.000 2.334 284 L HA 0.511 4.851 4.340 0.001 0.000 0.276 284 L C -0.515 176.414 176.870 0.098 0.000 1.014 284 L CA -0.682 54.211 54.840 0.089 0.000 0.815 284 L CB 1.670 43.811 42.059 0.137 0.000 1.268 284 L HN 0.873 nan 8.230 nan 0.000 0.428 285 H N 2.960 122.029 119.070 -0.002 0.000 2.429 285 H HA 0.318 4.875 4.556 0.001 0.000 0.231 285 H C -2.655 172.553 175.328 -0.201 0.000 1.416 285 H CA -1.498 54.496 56.048 -0.090 0.000 1.443 285 H CB 1.033 30.723 29.762 -0.120 0.000 1.591 285 H HN 0.271 nan 8.280 nan 0.000 0.507 286 P HA 0.180 nan 4.420 nan 0.000 0.293 286 P C -0.487 176.729 177.300 -0.141 0.000 1.313 286 P CA -0.076 62.855 63.100 -0.282 0.000 0.787 286 P CB 0.829 32.318 31.700 -0.352 0.000 0.910 287 H N 1.485 120.509 119.070 -0.077 0.000 2.505 287 H HA 0.271 4.828 4.556 0.001 0.000 0.358 287 H C 0.729 176.009 175.328 -0.081 0.000 1.304 287 H CA -0.541 55.477 56.048 -0.051 0.000 1.393 287 H CB 0.773 30.538 29.762 0.005 0.000 1.591 287 H HN 0.300 nan 8.280 nan 0.000 0.595 288 N N -0.048 118.704 118.700 0.087 0.000 2.275 288 N HA 0.015 4.756 4.740 0.001 0.000 0.236 288 N C -0.262 175.244 175.510 -0.007 0.000 1.154 288 N CA -0.002 53.052 53.050 0.007 0.000 0.866 288 N CB 0.130 38.612 38.487 -0.008 0.000 1.093 288 N HN 0.506 nan 8.380 nan 0.000 0.515 289 D N -0.333 120.073 120.400 0.010 0.000 2.172 289 D HA -0.152 4.489 4.640 0.001 0.000 0.196 289 D C 1.183 177.471 176.300 -0.021 0.000 0.999 289 D CA 1.192 55.191 54.000 -0.001 0.000 0.856 289 D CB 0.183 40.994 40.800 0.019 0.000 0.934 289 D HN 0.254 nan 8.370 nan 0.000 0.453 290 R N -0.667 119.815 120.500 -0.031 0.000 2.393 290 R HA 0.256 4.597 4.340 0.001 0.000 0.244 290 R C 0.962 177.237 176.300 -0.043 0.000 0.920 290 R CA 0.335 56.412 56.100 -0.039 0.000 1.076 290 R CB 0.749 31.021 30.300 -0.046 0.000 1.119 290 R HN 0.164 nan 8.270 nan 0.000 0.524 291 G N 1.579 110.353 108.800 -0.043 0.000 2.203 291 G HA2 -0.323 3.638 3.960 0.001 0.000 0.263 291 G HA3 -0.323 3.638 3.960 0.001 0.000 0.263 291 G C 0.591 175.462 174.900 -0.049 0.000 1.012 291 G CA 1.096 46.167 45.100 -0.049 0.000 0.749 291 G HN 0.445 nan 8.290 nan 0.000 0.512 292 T N -3.968 110.554 114.554 -0.053 0.000 3.252 292 T HA 0.698 5.048 4.350 0.001 0.000 0.286 292 T C 1.976 176.634 174.700 -0.070 0.000 1.013 292 T CA 0.951 63.019 62.100 -0.054 0.000 0.914 292 T CB 0.854 69.691 68.868 -0.051 0.000 1.131 292 T HN 1.241 nan 8.240 nan 0.000 0.529 293 A N 1.734 124.513 122.820 -0.068 0.000 1.873 293 A HA -0.014 4.306 4.320 0.001 0.000 0.218 293 A C 2.347 179.901 177.584 -0.049 0.000 1.193 293 A CA 1.974 53.964 52.037 -0.078 0.000 0.629 293 A CB -1.234 17.740 19.000 -0.044 0.000 0.826 293 A HN 0.427 nan 8.150 nan 0.000 0.447 294 V N -0.081 119.822 119.914 -0.018 0.000 2.278 294 V HA -0.337 3.784 4.120 0.001 0.000 0.251 294 V C 3.052 179.163 176.094 0.028 0.000 1.062 294 V CA 2.343 64.653 62.300 0.018 0.000 1.038 294 V CB -1.435 30.405 31.823 0.028 0.000 0.646 294 V HN 0.665 nan 8.190 nan 0.000 0.447 295 A N -0.209 122.616 122.820 0.008 0.000 1.902 295 A HA -0.089 4.232 4.320 0.001 0.000 0.217 295 A C 2.443 180.027 177.584 -0.001 0.000 1.181 295 A CA 2.130 54.174 52.037 0.012 0.000 0.623 295 A CB -0.843 18.158 19.000 0.002 0.000 0.818 295 A HN 0.607 nan 8.150 nan 0.000 0.443 296 A N -0.033 122.768 122.820 -0.032 0.000 1.883 296 A HA 0.099 4.419 4.320 0.001 0.000 0.217 296 A C 2.522 180.175 177.584 0.115 0.000 1.186 296 A CA 2.312 54.341 52.037 -0.014 0.000 0.624 296 A CB -1.081 17.760 19.000 -0.265 0.000 0.822 296 A HN 1.100 nan 8.150 nan 0.000 0.444 297 A N -0.416 122.444 122.820 0.066 0.000 1.902 297 A HA -0.170 4.150 4.320 0.001 0.000 0.217 297 A C 1.959 179.633 177.584 0.150 0.000 1.181 297 A CA 1.705 53.814 52.037 0.120 0.000 0.623 297 A CB -0.467 18.582 19.000 0.081 0.000 0.818 297 A HN 0.659 nan 8.150 nan 0.000 0.443 298 E N -0.242 120.037 120.200 0.131 0.000 2.076 298 E HA -0.022 4.329 4.350 0.001 0.000 0.190 298 E C 1.991 178.673 176.600 0.137 0.000 0.979 298 E CA 0.776 57.282 56.400 0.176 0.000 0.807 298 E CB -0.227 29.564 29.700 0.151 0.000 0.761 298 E HN 0.586 nan 8.360 nan 0.000 0.454 299 L N 0.454 121.695 121.223 0.031 0.000 2.046 299 L HA -0.086 4.255 4.340 0.001 0.000 0.208 299 L C 2.573 179.336 176.870 -0.179 0.000 1.077 299 L CA 1.260 56.025 54.840 -0.125 0.000 0.747 299 L CB -0.755 41.070 42.059 -0.389 0.000 0.896 299 L HN 0.247 nan 8.230 nan 0.000 0.432 300 G N -0.666 108.091 108.800 -0.071 0.000 2.422 300 G HA2 -0.282 3.678 3.960 0.001 0.000 0.218 300 G HA3 -0.282 3.678 3.960 0.001 0.000 0.218 300 G C 1.590 176.546 174.900 0.093 0.000 1.140 300 G CA 0.287 45.359 45.100 -0.046 0.000 0.775 300 G HN 0.337 nan 8.290 nan 0.000 0.545 301 F N 1.747 121.680 119.950 -0.028 0.000 2.146 301 F HA 0.088 4.616 4.527 0.001 0.000 0.298 301 F C 2.849 178.650 175.800 0.002 0.000 1.096 301 F CA 0.898 58.883 58.000 -0.025 0.000 1.275 301 F CB 0.202 39.185 39.000 -0.028 0.000 1.008 301 F HN 0.245 nan 8.300 nan 0.000 0.480 302 A N 0.421 123.230 122.820 -0.017 0.000 1.972 302 A HA -0.112 4.209 4.320 0.001 0.000 0.219 302 A C 2.143 179.771 177.584 0.073 0.000 1.169 302 A CA 1.361 53.376 52.037 -0.038 0.000 0.635 302 A CB -1.255 17.807 19.000 0.102 0.000 0.810 302 A HN 0.456 nan 8.150 nan 0.000 0.446 303 A N -1.849 121.029 122.820 0.096 0.000 2.216 303 A HA 0.359 4.680 4.320 0.001 0.000 0.214 303 A C 1.768 179.393 177.584 0.068 0.000 1.160 303 A CA 1.453 53.567 52.037 0.128 0.000 0.725 303 A CB -0.843 18.146 19.000 -0.020 0.000 0.784 303 A HN 1.855 nan 8.150 nan 0.000 0.472 304 G N -2.741 106.074 108.800 0.025 0.000 2.175 304 G HA2 0.190 4.150 3.960 0.001 0.000 0.182 304 G HA3 0.190 4.150 3.960 0.001 0.000 0.182 304 G C 0.430 175.370 174.900 0.067 0.000 1.003 304 G CA 0.148 45.260 45.100 0.019 0.000 0.666 304 G HN 1.478 nan 8.290 nan 0.000 0.506 305 A N 0.036 122.932 122.820 0.125 0.000 2.429 305 A HA 0.533 4.854 4.320 0.001 0.000 0.242 305 A C 1.049 178.778 177.584 0.241 0.000 1.088 305 A CA 1.090 53.215 52.037 0.146 0.000 0.784 305 A CB 0.299 19.377 19.000 0.130 0.000 1.038 305 A HN 0.224 nan 8.150 nan 0.000 0.501 306 D N -0.834 119.627 120.400 0.102 0.000 2.479 306 D HA 0.147 4.788 4.640 0.001 0.000 0.221 306 D C 0.492 176.720 176.300 -0.119 0.000 1.104 306 D CA 0.433 54.473 54.000 0.066 0.000 0.849 306 D CB 0.558 41.368 40.800 0.016 0.000 1.072 306 D HN 0.541 nan 8.370 nan 0.000 0.502 307 R N 0.630 121.032 120.500 -0.164 0.000 2.626 307 R HA 0.560 4.901 4.340 0.001 0.000 0.274 307 R C -1.826 174.360 176.300 -0.189 0.000 1.031 307 R CA -0.451 55.525 56.100 -0.207 0.000 0.898 307 R CB 1.847 32.078 30.300 -0.116 0.000 1.222 307 R HN -0.180 nan 8.270 nan 0.000 0.455 308 I N 2.667 123.128 120.570 -0.183 0.000 2.478 308 I HA 0.269 4.439 4.170 0.001 0.000 0.287 308 I C -0.478 175.657 176.117 0.030 0.000 1.042 308 I CA -0.671 60.589 61.300 -0.067 0.000 1.067 308 I CB 2.239 40.202 38.000 -0.061 0.000 1.233 308 I HN 0.484 nan 8.210 nan 0.000 0.431 309 E N 4.714 124.911 120.200 -0.006 0.000 2.194 309 E HA 0.572 4.923 4.350 0.001 0.000 0.284 309 E C 0.028 176.526 176.600 -0.170 0.000 1.035 309 E CA -0.254 56.121 56.400 -0.043 0.000 0.836 309 E CB 1.776 31.501 29.700 0.042 0.000 1.070 309 E HN 0.834 nan 8.360 nan 0.000 0.401 310 G N 1.455 110.180 108.800 -0.126 0.000 2.682 310 G HA2 0.484 4.444 3.960 0.001 0.000 0.303 310 G HA3 0.484 4.444 3.960 0.001 0.000 0.303 310 G C -1.265 173.541 174.900 -0.157 0.000 1.341 310 G CA -0.376 44.630 45.100 -0.156 0.000 0.784 310 G HN 0.580 nan 8.290 nan 0.000 0.497 311 C N -0.477 118.738 119.300 -0.142 0.000 2.802 311 C HA 0.637 5.098 4.460 0.001 0.000 0.307 311 C C 0.303 175.192 174.990 -0.168 0.000 1.222 311 C CA -0.674 58.257 59.018 -0.146 0.000 1.580 311 C CB 0.995 28.691 27.740 -0.074 0.000 2.119 311 C HN 0.702 nan 8.230 nan 0.000 0.479 312 L N 2.417 123.523 121.223 -0.195 0.000 2.559 312 L HA 0.117 4.458 4.340 0.001 0.000 0.274 312 L C 0.263 177.071 176.870 -0.103 0.000 1.205 312 L CA 0.573 55.267 54.840 -0.243 0.000 0.907 312 L CB -0.372 41.598 42.059 -0.147 0.000 1.153 312 L HN 0.842 nan 8.230 nan 0.000 0.490 313 F N 1.611 121.522 119.950 -0.066 0.000 3.084 313 F HA -0.256 4.272 4.527 0.001 0.000 0.286 313 F C 1.552 177.382 175.800 0.050 0.000 0.855 313 F CA 0.768 58.687 58.000 -0.135 0.000 1.091 313 F CB -2.004 36.807 39.000 -0.315 0.000 1.177 313 F HN 0.878 nan 8.300 nan 0.000 0.542 314 G N 0.295 109.175 108.800 0.135 0.000 2.225 314 G HA2 -0.391 3.569 3.960 0.001 0.000 0.267 314 G HA3 -0.391 3.569 3.960 0.001 0.000 0.267 314 G C 0.030 174.971 174.900 0.068 0.000 1.024 314 G CA 0.285 45.447 45.100 0.104 0.000 0.784 314 G HN 0.708 nan 8.290 nan 0.000 0.507 315 N N 0.707 119.437 118.700 0.051 0.000 2.518 315 N HA 0.570 5.311 4.740 0.001 0.000 0.266 315 N C 0.587 176.093 175.510 -0.007 0.000 1.196 315 N CA 1.550 54.616 53.050 0.027 0.000 0.947 315 N CB 0.842 39.344 38.487 0.024 0.000 1.098 315 N HN 1.352 nan 8.380 nan 0.000 0.450 316 G N 1.289 110.074 108.800 -0.025 0.000 2.347 316 G HA2 0.054 4.015 3.960 0.001 0.000 0.303 316 G HA3 0.054 4.015 3.960 0.001 0.000 0.303 316 G C -1.505 173.337 174.900 -0.097 0.000 1.481 316 G CA -0.893 44.172 45.100 -0.059 0.000 0.914 316 G HN 0.548 nan 8.290 nan 0.000 0.638 317 E N 0.677 120.800 120.200 -0.128 0.000 2.437 317 E HA 0.255 4.606 4.350 0.001 0.000 0.263 317 E C 1.012 177.536 176.600 -0.126 0.000 1.030 317 E CA 0.632 56.969 56.400 -0.105 0.000 0.934 317 E CB 0.711 30.365 29.700 -0.076 0.000 0.943 317 E HN 0.651 nan 8.360 nan 0.000 0.444 318 R N -0.433 120.026 120.500 -0.068 0.000 3.951 318 R HA -0.318 4.022 4.340 0.001 0.000 0.335 318 R C 1.856 178.124 176.300 -0.053 0.000 0.258 318 R CA 2.352 58.421 56.100 -0.051 0.000 1.115 318 R CB -1.872 28.401 30.300 -0.045 0.000 0.967 318 R HN 0.771 nan 8.270 nan 0.000 0.574 319 T N -0.331 114.187 114.554 -0.060 0.000 3.088 319 T HA 0.364 4.714 4.350 0.001 0.000 0.259 319 T C 1.008 175.677 174.700 -0.050 0.000 1.122 319 T CA 0.967 63.041 62.100 -0.044 0.000 1.095 319 T CB 0.492 69.340 68.868 -0.033 0.000 0.930 319 T HN 1.220 nan 8.240 nan 0.000 0.508 320 G N 1.181 109.919 108.800 -0.103 0.000 2.631 320 G HA2 -0.112 3.849 3.960 0.001 0.000 0.504 320 G HA3 -0.112 3.849 3.960 0.001 0.000 0.504 320 G C -1.078 173.771 174.900 -0.084 0.000 1.306 320 G CA -0.723 44.318 45.100 -0.098 0.000 0.897 320 G HN 0.459 nan 8.290 nan 0.000 0.520 321 N N -1.122 117.562 118.700 -0.028 0.000 2.463 321 N HA 0.420 5.161 4.740 0.001 0.000 0.270 321 N C 0.602 176.114 175.510 0.004 0.000 1.205 321 N CA -0.073 52.996 53.050 0.031 0.000 0.974 321 N CB 1.704 40.168 38.487 -0.039 0.000 1.197 321 N HN 0.815 nan 8.380 nan 0.000 0.504 322 V N 1.170 121.068 119.914 -0.026 0.000 2.644 322 V HA -0.123 3.997 4.120 0.001 0.000 0.305 322 V C 0.440 176.519 176.094 -0.025 0.000 1.053 322 V CA -0.215 62.069 62.300 -0.027 0.000 1.186 322 V CB 0.051 31.854 31.823 -0.032 0.000 0.895 322 V HN 0.741 nan 8.190 nan 0.000 0.490 323 C N 7.699 127.001 119.300 0.003 0.000 2.555 323 C HA 0.257 4.718 4.460 0.001 0.000 0.385 323 C C 1.611 176.549 174.990 -0.086 0.000 1.296 323 C CA -0.486 58.529 59.018 -0.005 0.000 1.757 323 C CB -1.525 26.288 27.740 0.122 0.000 2.445 323 C HN 0.995 nan 8.230 nan 0.000 0.571 324 L N 5.204 126.322 121.223 -0.175 0.000 2.201 324 L HA -0.080 4.261 4.340 0.001 0.000 0.212 324 L C 2.318 178.983 176.870 -0.342 0.000 1.105 324 L CA 0.992 55.669 54.840 -0.273 0.000 0.775 324 L CB -0.372 41.498 42.059 -0.316 0.000 0.913 324 L HN 0.713 nan 8.230 nan 0.000 0.440 325 V N -0.758 118.931 119.914 -0.375 0.000 2.379 325 V HA -0.230 3.891 4.120 0.001 0.000 0.245 325 V C 2.507 178.293 176.094 -0.514 0.000 1.044 325 V CA 2.221 64.194 62.300 -0.544 0.000 1.036 325 V CB -0.558 30.790 31.823 -0.791 0.000 0.664 325 V HN 0.447 nan 8.190 nan 0.000 0.453 326 T N 0.416 114.869 114.554 -0.168 0.000 2.737 326 T HA -0.095 4.256 4.350 0.001 0.000 0.265 326 T C 1.930 176.601 174.700 -0.049 0.000 1.038 326 T CA 1.402 63.532 62.100 0.051 0.000 1.144 326 T CB -0.271 68.690 68.868 0.155 0.000 0.866 326 T HN 0.244 nan 8.240 nan 0.000 0.434 327 L N 0.654 121.842 121.223 -0.057 0.000 2.017 327 L HA -0.052 4.289 4.340 0.001 0.000 0.208 327 L C 3.015 179.907 176.870 0.037 0.000 1.073 327 L CA 1.508 56.388 54.840 0.066 0.000 0.745 327 L CB -1.036 41.138 42.059 0.192 0.000 0.894 327 L HN 0.377 nan 8.230 nan 0.000 0.432 328 G N -0.063 108.571 108.800 -0.276 0.000 2.421 328 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 328 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 328 G C 1.588 176.276 174.900 -0.352 0.000 1.171 328 G CA 0.601 45.544 45.100 -0.261 0.000 0.775 328 G HN 0.245 nan 8.290 nan 0.000 0.543 329 L N 0.355 121.098 121.223 -0.800 0.000 2.217 329 L HA 0.017 4.357 4.340 0.001 0.000 0.211 329 L C 2.498 179.127 176.870 -0.402 0.000 1.107 329 L CA 0.327 54.663 54.840 -0.839 0.000 0.783 329 L CB -0.291 40.696 42.059 -1.785 0.000 0.919 329 L HN 0.099 nan 8.230 nan 0.000 0.442 330 N N 0.044 118.637 118.700 -0.178 0.000 2.289 330 N HA -0.120 4.621 4.740 0.001 0.000 0.184 330 N C 1.844 177.424 175.510 0.116 0.000 1.016 330 N CA 1.063 54.173 53.050 0.099 0.000 0.872 330 N CB -0.115 38.466 38.487 0.155 0.000 0.973 330 N HN 0.295 nan 8.380 nan 0.000 0.433 331 L N -0.900 120.403 121.223 0.132 0.000 2.023 331 L HA -0.073 4.267 4.340 0.001 0.000 0.205 331 L C 2.099 179.070 176.870 0.169 0.000 1.073 331 L CA 0.829 55.778 54.840 0.181 0.000 0.745 331 L CB -0.533 41.687 42.059 0.267 0.000 0.900 331 L HN 0.062 nan 8.230 nan 0.000 0.435 332 F N 1.466 121.423 119.950 0.012 0.000 2.091 332 F HA -0.302 4.226 4.527 0.001 0.000 0.299 332 F C 2.723 178.531 175.800 0.014 0.000 1.103 332 F CA 1.798 59.801 58.000 0.005 0.000 1.228 332 F CB -0.437 38.539 39.000 -0.040 0.000 0.984 332 F HN 0.133 nan 8.300 nan 0.000 0.477 333 S N -0.446 115.176 115.700 -0.131 0.000 2.555 333 S HA 0.003 4.473 4.470 0.001 0.000 0.230 333 S C 1.530 176.070 174.600 -0.100 0.000 0.978 333 S CA 0.258 58.344 58.200 -0.191 0.000 0.934 333 S CB -0.385 62.876 63.200 0.101 0.000 0.766 333 S HN 0.440 nan 8.310 nan 0.000 0.533 334 R N 0.272 120.742 120.500 -0.050 0.000 2.596 334 R HA 0.313 4.654 4.340 0.001 0.000 0.369 334 R C 1.126 177.414 176.300 -0.021 0.000 1.042 334 R CA 0.451 56.544 56.100 -0.012 0.000 1.120 334 R CB 0.270 30.592 30.300 0.037 0.000 1.353 334 R HN 0.558 nan 8.270 nan 0.000 0.564 335 G N 0.757 109.514 108.800 -0.072 0.000 2.141 335 G HA2 -0.243 3.718 3.960 0.001 0.000 0.242 335 G HA3 -0.243 3.718 3.960 0.001 0.000 0.242 335 G C -0.028 174.886 174.900 0.023 0.000 0.982 335 G CA 0.095 45.169 45.100 -0.043 0.000 0.662 335 G HN 0.123 nan 8.290 nan 0.000 0.527 336 V N 0.953 120.905 119.914 0.065 0.000 2.398 336 V HA 0.491 4.612 4.120 0.001 0.000 0.286 336 V C 0.156 176.354 176.094 0.173 0.000 1.026 336 V CA -0.795 61.571 62.300 0.110 0.000 0.868 336 V CB 1.817 33.713 31.823 0.122 0.000 0.982 336 V HN 0.329 nan 8.190 nan 0.000 0.443 337 D N 7.478 127.974 120.400 0.161 0.000 2.382 337 D HA 0.143 4.784 4.640 0.001 0.000 0.259 337 D C -1.117 175.313 176.300 0.216 0.000 1.224 337 D CA -1.603 52.509 54.000 0.185 0.000 0.894 337 D CB 1.594 42.468 40.800 0.124 0.000 1.127 337 D HN 0.280 nan 8.370 nan 0.000 0.487 338 P HA -0.113 nan 4.420 nan 0.000 0.233 338 P C -0.219 177.301 177.300 0.367 0.000 1.167 338 P CA 0.630 63.974 63.100 0.406 0.000 0.770 338 P CB 0.163 32.129 31.700 0.444 0.000 0.837 339 Q N -1.707 118.188 119.800 0.157 0.000 2.489 339 Q HA -0.124 4.217 4.340 0.001 0.000 0.259 339 Q C -0.262 175.673 176.000 -0.110 0.000 0.934 339 Q CA 0.454 56.285 55.803 0.046 0.000 1.131 339 Q CB -1.504 27.282 28.738 0.080 0.000 1.472 339 Q HN 0.344 nan 8.270 nan 0.000 0.560 340 I N 0.276 120.704 120.570 -0.237 0.000 2.686 340 I HA 0.277 4.447 4.170 0.001 0.000 0.295 340 I C -0.236 175.451 176.117 -0.718 0.000 1.114 340 I CA -0.796 60.113 61.300 -0.651 0.000 1.038 340 I CB 1.994 39.373 38.000 -1.035 0.000 1.238 340 I HN -0.084 nan 8.210 nan 0.000 0.420 341 D N 4.369 124.327 120.400 -0.737 0.000 2.347 341 D HA 0.365 5.005 4.640 0.001 0.000 0.235 341 D C -0.330 175.552 176.300 -0.697 0.000 1.149 341 D CA 0.153 53.821 54.000 -0.554 0.000 0.850 341 D CB 0.350 40.945 40.800 -0.342 0.000 1.061 341 D HN 0.284 nan 8.370 nan 0.000 0.487 342 F N 1.752 121.540 119.950 -0.270 0.000 2.735 342 F HA 0.170 4.698 4.527 0.001 0.000 0.304 342 F C 2.036 177.695 175.800 -0.235 0.000 1.119 342 F CA -0.395 57.455 58.000 -0.250 0.000 1.280 342 F CB 0.538 39.345 39.000 -0.322 0.000 0.994 342 F HN 0.264 nan 8.300 nan 0.000 0.520 343 S N 0.122 115.761 115.700 -0.102 0.000 2.447 343 S HA -0.144 4.327 4.470 0.001 0.000 0.233 343 S C 0.997 175.559 174.600 -0.064 0.000 1.006 343 S CA 0.991 59.125 58.200 -0.110 0.000 0.957 343 S CB -0.256 62.875 63.200 -0.114 0.000 0.773 343 S HN 0.295 nan 8.310 nan 0.000 0.507 344 N N 0.569 119.247 118.700 -0.036 0.000 2.804 344 N HA 0.282 5.023 4.740 0.001 0.000 0.251 344 N C 0.229 175.765 175.510 0.044 0.000 1.250 344 N CA -0.198 52.847 53.050 -0.009 0.000 0.820 344 N CB 0.081 38.556 38.487 -0.021 0.000 1.156 344 N HN 0.183 nan 8.380 nan 0.000 0.512 345 I N 0.669 121.288 120.570 0.083 0.000 2.493 345 I HA -0.167 4.004 4.170 0.001 0.000 0.254 345 I C 1.575 177.789 176.117 0.162 0.000 1.160 345 I CA 0.993 62.398 61.300 0.175 0.000 1.445 345 I CB 0.259 38.400 38.000 0.234 0.000 1.086 345 I HN 0.412 nan 8.210 nan 0.000 0.433 346 D N 0.719 121.175 120.400 0.094 0.000 2.104 346 D HA -0.289 4.352 4.640 0.001 0.000 0.194 346 D C 1.956 178.284 176.300 0.047 0.000 0.994 346 D CA 1.596 55.631 54.000 0.058 0.000 0.830 346 D CB 0.004 40.823 40.800 0.032 0.000 0.959 346 D HN 0.517 nan 8.370 nan 0.000 0.452 347 E N 0.317 120.541 120.200 0.040 0.000 2.058 347 E HA -0.184 4.167 4.350 0.001 0.000 0.194 347 E C 2.517 179.151 176.600 0.056 0.000 0.997 347 E CA 0.967 57.383 56.400 0.027 0.000 0.801 347 E CB -0.186 29.518 29.700 0.006 0.000 0.746 347 E HN 0.304 nan 8.360 nan 0.000 0.450 348 I N 0.752 121.380 120.570 0.097 0.000 2.151 348 I HA -0.322 3.849 4.170 0.001 0.000 0.243 348 I C 3.001 179.251 176.117 0.221 0.000 1.080 348 I CA 1.621 63.019 61.300 0.163 0.000 1.339 348 I CB -0.486 37.649 38.000 0.224 0.000 1.039 348 I HN 0.177 nan 8.210 nan 0.000 0.409 349 R N 1.216 121.834 120.500 0.197 0.000 2.081 349 R HA -0.207 4.133 4.340 0.001 0.000 0.235 349 R C 2.750 179.036 176.300 -0.023 0.000 1.131 349 R CA 1.916 58.015 56.100 -0.002 0.000 0.960 349 R CB -0.273 29.930 30.300 -0.160 0.000 0.856 349 R HN 0.284 nan 8.270 nan 0.000 0.436 350 R N 0.264 120.771 120.500 0.011 0.000 2.091 350 R HA -0.110 4.231 4.340 0.001 0.000 0.238 350 R C 2.277 178.617 176.300 0.067 0.000 1.136 350 R CA 2.251 58.362 56.100 0.018 0.000 0.959 350 R CB -1.931 28.372 30.300 0.006 0.000 0.856 350 R HN 0.477 nan 8.270 nan 0.000 0.437 351 T N 0.207 114.808 114.554 0.079 0.000 2.777 351 T HA -0.078 4.273 4.350 0.001 0.000 0.266 351 T C 2.187 176.987 174.700 0.168 0.000 1.040 351 T CA 1.391 63.567 62.100 0.126 0.000 1.141 351 T CB -0.272 68.649 68.868 0.087 0.000 0.868 351 T HN 0.208 nan 8.240 nan 0.000 0.444 352 V N 1.753 121.747 119.914 0.133 0.000 2.287 352 V HA -0.225 3.895 4.120 0.001 0.000 0.248 352 V C 2.510 178.643 176.094 0.065 0.000 1.053 352 V CA 1.841 64.213 62.300 0.121 0.000 1.027 352 V CB -0.606 31.350 31.823 0.222 0.000 0.646 352 V HN 0.561 nan 8.190 nan 0.000 0.447 353 E N -1.067 119.152 120.200 0.031 0.000 2.072 353 E HA -0.251 4.100 4.350 0.001 0.000 0.191 353 E C 2.113 178.737 176.600 0.041 0.000 0.985 353 E CA 1.599 58.001 56.400 0.004 0.000 0.801 353 E CB -0.310 29.372 29.700 -0.031 0.000 0.750 353 E HN 0.771 nan 8.360 nan 0.000 0.452 354 Y N 0.916 121.205 120.300 -0.018 0.000 2.165 354 Y HA -0.314 4.237 4.550 0.001 0.000 0.286 354 Y C 2.131 178.027 175.900 -0.007 0.000 1.155 354 Y CA 1.500 59.593 58.100 -0.010 0.000 1.164 354 Y CB -0.384 38.073 38.460 -0.004 0.000 0.978 354 Y HN 0.049 nan 8.280 nan 0.000 0.513 355 C N 0.501 119.747 119.300 -0.090 0.000 2.475 355 C HA -0.054 4.406 4.460 0.001 0.000 0.279 355 C C 2.239 177.136 174.990 -0.155 0.000 1.322 355 C CA 1.111 60.029 59.018 -0.167 0.000 1.734 355 C CB -1.057 26.689 27.740 0.011 0.000 2.005 355 C HN 0.609 nan 8.230 nan 0.000 0.495 356 N N 0.066 118.715 118.700 -0.085 0.000 2.405 356 N HA -0.013 4.727 4.740 0.001 0.000 0.175 356 N C 0.350 175.815 175.510 -0.075 0.000 1.051 356 N CA 0.453 53.465 53.050 -0.064 0.000 0.899 356 N CB -0.252 38.222 38.487 -0.022 0.000 1.000 356 N HN 0.393 nan 8.380 nan 0.000 0.451 357 Q N -0.299 119.447 119.800 -0.090 0.000 2.468 357 Q HA -0.181 4.160 4.340 0.001 0.000 0.289 357 Q C -0.900 175.073 176.000 -0.045 0.000 1.299 357 Q CA 0.731 56.488 55.803 -0.076 0.000 0.838 357 Q CB -1.994 26.688 28.738 -0.094 0.000 1.195 357 Q HN 0.412 nan 8.270 nan 0.000 0.456 358 L N 0.217 121.419 121.223 -0.035 0.000 2.513 358 L HA 0.516 4.857 4.340 0.001 0.000 0.261 358 L C -2.188 174.663 176.870 -0.031 0.000 0.945 358 L CA -1.731 53.096 54.840 -0.023 0.000 0.848 358 L CB 2.526 44.578 42.059 -0.012 0.000 1.334 358 L HN -0.130 nan 8.230 nan 0.000 0.407 359 P HA 0.207 nan 4.420 nan 0.000 0.281 359 P C -0.815 176.438 177.300 -0.078 0.000 1.249 359 P CA -0.390 62.674 63.100 -0.059 0.000 0.810 359 P CB 1.521 33.196 31.700 -0.042 0.000 1.008 360 V N 3.553 123.357 119.914 -0.183 0.000 2.455 360 V HA 0.037 4.158 4.120 0.001 0.000 0.273 360 V C 1.246 177.304 176.094 -0.060 0.000 1.045 360 V CA -0.310 61.835 62.300 -0.258 0.000 0.976 360 V CB -0.500 30.907 31.823 -0.694 0.000 0.993 360 V HN 0.642 nan 8.190 nan 0.000 0.475 361 H N 3.411 122.483 119.070 0.003 0.000 2.913 361 H HA 0.012 4.569 4.556 0.001 0.000 0.365 361 H C 1.017 176.360 175.328 0.025 0.000 1.155 361 H CA 0.178 56.245 56.048 0.032 0.000 1.417 361 H CB 1.033 30.838 29.762 0.072 0.000 1.386 361 H HN 0.752 nan 8.280 nan 0.000 0.614 362 E N 2.232 122.227 120.200 -0.341 0.000 2.160 362 E HA -0.147 4.204 4.350 0.001 0.000 0.195 362 E C 1.561 178.184 176.600 0.037 0.000 0.991 362 E CA 1.329 57.632 56.400 -0.162 0.000 0.810 362 E CB 0.161 29.708 29.700 -0.255 0.000 0.742 362 E HN 0.510 nan 8.360 nan 0.000 0.466 363 R N -0.695 119.954 120.500 0.248 0.000 2.397 363 R HA 0.130 4.471 4.340 0.001 0.000 0.241 363 R C -0.120 176.269 176.300 0.148 0.000 0.914 363 R CA -0.210 56.003 56.100 0.189 0.000 1.071 363 R CB 0.036 30.463 30.300 0.212 0.000 1.116 363 R HN 0.255 nan 8.270 nan 0.000 0.524 364 H N 2.978 122.129 119.070 0.134 0.000 3.125 364 H HA 0.010 4.566 4.556 0.001 0.000 0.310 364 H C -2.162 173.203 175.328 0.061 0.000 0.980 364 H CA -0.875 55.238 56.048 0.108 0.000 1.422 364 H CB 0.571 30.424 29.762 0.152 0.000 1.432 364 H HN -0.143 nan 8.280 nan 0.000 0.577 365 P HA -0.164 nan 4.420 nan 0.000 0.263 365 P C -0.426 176.970 177.300 0.160 0.000 1.175 365 P CA 0.857 63.908 63.100 -0.081 0.000 0.761 365 P CB 0.126 31.759 31.700 -0.112 0.000 0.794 366 Y N 0.950 121.320 120.300 0.116 0.000 3.300 366 Y HA -0.328 4.223 4.550 0.001 0.000 0.453 366 Y C 1.926 177.984 175.900 0.263 0.000 1.180 366 Y CA 2.101 60.306 58.100 0.174 0.000 2.522 366 Y CB -2.363 36.173 38.460 0.127 0.000 0.854 366 Y HN 0.527 nan 8.280 nan 0.000 0.511 367 G N -0.559 108.490 108.800 0.414 0.000 2.748 367 G HA2 0.402 4.362 3.960 0.001 0.000 0.204 367 G HA3 0.402 4.362 3.960 0.001 0.000 0.204 367 G C 1.011 175.980 174.900 0.115 0.000 1.095 367 G CA 0.292 45.590 45.100 0.331 0.000 0.775 367 G HN 0.711 nan 8.290 nan 0.000 0.531 368 G N 0.479 109.346 108.800 0.110 0.000 2.559 368 G HA2 0.245 4.206 3.960 0.001 0.000 0.235 368 G HA3 0.245 4.206 3.960 0.001 0.000 0.235 368 G C 0.480 175.391 174.900 0.019 0.000 1.266 368 G CA 0.015 45.142 45.100 0.045 0.000 0.847 368 G HN -0.006 nan 8.290 nan 0.000 0.583 369 D N 0.420 120.817 120.400 -0.004 0.000 2.170 369 D HA -0.144 4.497 4.640 0.001 0.000 0.193 369 D C 2.262 178.583 176.300 0.034 0.000 1.004 369 D CA 1.219 55.226 54.000 0.011 0.000 0.860 369 D CB 0.079 40.869 40.800 -0.016 0.000 0.931 369 D HN 0.327 nan 8.370 nan 0.000 0.448 370 L N 0.120 121.358 121.223 0.026 0.000 2.667 370 L HA 0.107 4.448 4.340 0.001 0.000 0.232 370 L C 2.041 178.918 176.870 0.011 0.000 1.138 370 L CA -0.108 54.769 54.840 0.062 0.000 0.921 370 L CB 0.438 42.566 42.059 0.115 0.000 1.180 370 L HN -0.067 nan 8.230 nan 0.000 0.487 371 V N -2.831 117.013 119.914 -0.117 0.000 2.720 371 V HA -0.227 3.894 4.120 0.001 0.000 0.256 371 V C 1.264 177.042 176.094 -0.528 0.000 1.082 371 V CA 1.420 63.510 62.300 -0.350 0.000 1.101 371 V CB -0.932 30.609 31.823 -0.469 0.000 0.693 371 V HN 0.434 nan 8.190 nan 0.000 0.479 372 Y N 0.473 120.851 120.300 0.130 0.000 2.681 372 Y HA 0.489 5.040 4.550 0.001 0.000 0.267 372 Y C 0.915 176.934 175.900 0.199 0.000 1.166 372 Y CA -0.336 57.878 58.100 0.191 0.000 1.209 372 Y CB 0.045 38.609 38.460 0.173 0.000 1.161 372 Y HN 0.090 nan 8.280 nan 0.000 0.534 373 T N 1.494 116.147 114.554 0.165 0.000 2.867 373 T HA 0.735 5.086 4.350 0.001 0.000 0.282 373 T C -0.232 174.543 174.700 0.126 0.000 1.000 373 T CA -0.608 61.510 62.100 0.029 0.000 1.042 373 T CB 1.345 70.169 68.868 -0.072 0.000 0.973 373 T HN 0.258 nan 8.240 nan 0.000 0.465 374 A N 2.152 124.992 122.820 0.034 0.000 2.335 374 A HA 0.704 5.025 4.320 0.001 0.000 0.304 374 A C -0.082 177.426 177.584 -0.127 0.000 1.118 374 A CA -0.651 51.454 52.037 0.114 0.000 0.757 374 A CB 0.422 19.612 19.000 0.318 0.000 1.188 374 A HN 0.808 nan 8.150 nan 0.000 0.460 375 F N 1.561 121.502 119.950 -0.014 0.000 2.446 375 F HA 0.106 4.633 4.527 0.001 0.000 0.292 375 F C 1.876 177.618 175.800 -0.096 0.000 1.096 375 F CA 1.101 59.069 58.000 -0.053 0.000 1.438 375 F CB 0.222 39.186 39.000 -0.061 0.000 1.107 375 F HN 0.516 nan 8.300 nan 0.000 0.546 376 S N 0.590 116.280 115.700 -0.017 0.000 2.516 376 S HA 0.239 4.709 4.470 0.001 0.000 0.282 376 S C 1.509 176.047 174.600 -0.104 0.000 1.286 376 S CA 0.043 58.125 58.200 -0.198 0.000 1.066 376 S CB 1.059 63.832 63.200 -0.712 0.000 0.884 376 S HN 0.379 nan 8.310 nan 0.000 0.491 377 G N 3.702 112.466 108.800 -0.060 0.000 2.418 377 G HA2 -0.149 3.812 3.960 0.001 0.000 0.217 377 G HA3 -0.149 3.812 3.960 0.001 0.000 0.217 377 G C 1.576 176.479 174.900 0.005 0.000 1.158 377 G CA 0.893 45.985 45.100 -0.013 0.000 0.771 377 G HN 0.717 nan 8.290 nan 0.000 0.545 378 S N -0.352 115.343 115.700 -0.008 0.000 2.383 378 S HA -0.061 4.410 4.470 0.001 0.000 0.227 378 S C 1.946 176.612 174.600 0.110 0.000 1.026 378 S CA 0.924 59.160 58.200 0.061 0.000 0.981 378 S CB -0.372 62.882 63.200 0.090 0.000 0.818 378 S HN 0.649 nan 8.310 nan 0.000 0.472 379 H N 0.759 119.709 119.070 -0.199 0.000 2.363 379 H HA -0.004 4.553 4.556 0.001 0.000 0.301 379 H C 2.467 177.732 175.328 -0.105 0.000 1.074 379 H CA 1.009 56.808 56.048 -0.414 0.000 1.354 379 H CB -0.033 29.301 29.762 -0.713 0.000 1.397 379 H HN 0.417 nan 8.280 nan 0.000 0.516 380 Q N 0.562 120.427 119.800 0.109 0.000 2.077 380 Q HA -0.221 4.119 4.340 0.001 0.000 0.206 380 Q C 1.932 177.997 176.000 0.107 0.000 0.989 380 Q CA 1.992 57.880 55.803 0.142 0.000 0.853 380 Q CB -0.072 28.735 28.738 0.115 0.000 0.907 380 Q HN 0.449 nan 8.270 nan 0.000 0.418 381 D N -0.157 120.292 120.400 0.082 0.000 2.084 381 D HA -0.171 4.470 4.640 0.001 0.000 0.194 381 D C 1.779 178.119 176.300 0.067 0.000 0.990 381 D CA 1.613 55.653 54.000 0.067 0.000 0.826 381 D CB -0.101 40.734 40.800 0.059 0.000 0.971 381 D HN 0.254 nan 8.370 nan 0.000 0.453 382 A N -0.026 122.856 122.820 0.103 0.000 1.933 382 A HA -0.107 4.214 4.320 0.001 0.000 0.218 382 A C 2.423 180.044 177.584 0.062 0.000 1.175 382 A CA 1.250 53.357 52.037 0.117 0.000 0.628 382 A CB -0.816 18.354 19.000 0.282 0.000 0.814 382 A HN 0.417 nan 8.150 nan 0.000 0.444 383 I N 0.013 120.621 120.570 0.062 0.000 2.142 383 I HA -0.272 3.899 4.170 0.001 0.000 0.240 383 I C 2.223 178.291 176.117 -0.081 0.000 1.078 383 I CA 1.208 62.472 61.300 -0.060 0.000 1.343 383 I CB -0.495 37.390 38.000 -0.192 0.000 1.046 383 I HN 0.319 nan 8.210 nan 0.000 0.405 384 N N 1.201 119.895 118.700 -0.010 0.000 2.094 384 N HA -0.216 4.525 4.740 0.001 0.000 0.191 384 N C 1.796 177.292 175.510 -0.023 0.000 1.023 384 N CA 1.517 54.570 53.050 0.005 0.000 0.857 384 N CB -0.277 38.235 38.487 0.041 0.000 1.013 384 N HN 0.405 nan 8.380 nan 0.000 0.426 385 K N 0.247 120.635 120.400 -0.021 0.000 2.026 385 K HA -0.060 4.261 4.320 0.001 0.000 0.208 385 K C 2.206 178.759 176.600 -0.078 0.000 1.048 385 K CA 1.256 57.521 56.287 -0.036 0.000 0.929 385 K CB -0.468 32.019 32.500 -0.022 0.000 0.713 385 K HN 0.193 nan 8.250 nan 0.000 0.439 386 G N 1.558 110.289 108.800 -0.116 0.000 2.491 386 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 386 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 386 G C 1.485 176.252 174.900 -0.221 0.000 1.180 386 G CA 0.985 45.965 45.100 -0.199 0.000 0.774 386 G HN 0.107 nan 8.290 nan 0.000 0.562 387 L N 0.369 121.477 121.223 -0.191 0.000 2.056 387 L HA -0.043 4.298 4.340 0.001 0.000 0.207 387 L C 2.608 179.433 176.870 -0.075 0.000 1.078 387 L CA 1.209 55.963 54.840 -0.144 0.000 0.749 387 L CB -0.459 41.559 42.059 -0.068 0.000 0.901 387 L HN 0.085 nan 8.230 nan 0.000 0.433 388 D N 0.420 120.789 120.400 -0.052 0.000 2.123 388 D HA -0.191 4.450 4.640 0.001 0.000 0.196 388 D C 2.210 178.485 176.300 -0.042 0.000 0.992 388 D CA 1.618 55.599 54.000 -0.032 0.000 0.833 388 D CB -0.096 40.692 40.800 -0.020 0.000 0.954 388 D HN 0.344 nan 8.370 nan 0.000 0.455 389 A N 0.232 123.013 122.820 -0.064 0.000 1.968 389 A HA -0.079 4.242 4.320 0.001 0.000 0.217 389 A C 2.238 179.781 177.584 -0.067 0.000 1.169 389 A CA 0.858 52.856 52.037 -0.064 0.000 0.638 389 A CB -0.406 18.548 19.000 -0.076 0.000 0.812 389 A HN 0.127 nan 8.150 nan 0.000 0.446 390 M N -0.177 119.368 119.600 -0.090 0.000 2.086 390 M HA -0.176 4.304 4.480 0.001 0.000 0.261 390 M C 2.738 179.021 176.300 -0.029 0.000 1.067 390 M CA 2.168 57.423 55.300 -0.074 0.000 1.116 390 M CB -0.452 32.083 32.600 -0.110 0.000 1.348 390 M HN 0.505 nan 8.290 nan 0.000 0.407 391 K N 0.634 121.022 120.400 -0.020 0.000 2.026 391 K HA -0.093 4.227 4.320 0.001 0.000 0.208 391 K C 1.665 178.264 176.600 -0.003 0.000 1.048 391 K CA 1.450 57.737 56.287 0.000 0.000 0.929 391 K CB -1.489 31.015 32.500 0.006 0.000 0.713 391 K HN 0.387 nan 8.250 nan 0.000 0.439 392 L N 0.613 121.829 121.223 -0.012 0.000 2.131 392 L HA -0.182 4.158 4.340 0.001 0.000 0.210 392 L C 1.797 178.661 176.870 -0.011 0.000 1.092 392 L CA 1.596 56.430 54.840 -0.010 0.000 0.759 392 L CB -0.425 41.626 42.059 -0.014 0.000 0.903 392 L HN 0.442 nan 8.230 nan 0.000 0.435 393 D N -0.195 120.196 120.400 -0.016 0.000 2.183 393 D HA -0.088 4.553 4.640 0.001 0.000 0.203 393 D C 2.117 178.416 176.300 -0.003 0.000 0.969 393 D CA 1.159 55.152 54.000 -0.013 0.000 0.842 393 D CB 0.080 40.868 40.800 -0.021 0.000 0.957 393 D HN 0.280 nan 8.370 nan 0.000 0.484 394 A N 1.532 124.354 122.820 0.002 0.000 1.824 394 A HA -0.201 4.120 4.320 0.001 0.000 0.215 394 A C 1.780 179.369 177.584 0.010 0.000 1.209 394 A CA 1.864 53.909 52.037 0.012 0.000 0.614 394 A CB -0.791 18.221 19.000 0.021 0.000 0.852 394 A HN 0.031 nan 8.150 nan 0.000 0.447 395 D N 0.306 120.712 120.400 0.009 0.000 2.200 395 D HA -0.249 4.391 4.640 0.001 0.000 0.192 395 D C 2.075 178.377 176.300 0.004 0.000 1.008 395 D CA 1.930 55.934 54.000 0.007 0.000 0.872 395 D CB -0.719 40.085 40.800 0.006 0.000 0.923 395 D HN 0.478 nan 8.370 nan 0.000 0.447 396 A N 0.671 123.492 122.820 0.001 0.000 1.908 396 A HA -0.024 4.296 4.320 0.001 0.000 0.218 396 A C 2.129 179.714 177.584 0.001 0.000 1.181 396 A CA 2.294 54.331 52.037 -0.001 0.000 0.627 396 A CB -0.425 18.573 19.000 -0.004 0.000 0.818 396 A HN 0.290 nan 8.150 nan 0.000 0.445 397 A N -2.062 120.759 122.820 0.003 0.000 2.423 397 A HA 0.437 4.758 4.320 0.001 0.000 0.246 397 A C 0.889 178.477 177.584 0.007 0.000 1.278 397 A CA 1.468 53.508 52.037 0.004 0.000 0.903 397 A CB -1.196 17.807 19.000 0.005 0.000 0.997 397 A HN 1.609 nan 8.150 nan 0.000 0.510 398 D N -1.505 118.899 120.400 0.007 0.000 2.792 398 D HA -0.196 4.445 4.640 0.001 0.000 0.231 398 D C 0.237 176.544 176.300 0.011 0.000 1.160 398 D CA 1.182 55.187 54.000 0.008 0.000 0.697 398 D CB -2.516 38.288 40.800 0.007 0.000 1.070 398 D HN 0.563 nan 8.370 nan 0.000 0.426 399 C N 0.075 119.383 119.300 0.014 0.000 2.349 399 C HA 0.707 5.168 4.460 0.001 0.000 0.361 399 C C 0.376 175.380 174.990 0.023 0.000 1.189 399 C CA -0.632 58.397 59.018 0.018 0.000 2.155 399 C CB 1.811 29.563 27.740 0.020 0.000 2.336 399 C HN 0.667 nan 8.230 nan 0.000 0.540 400 D N 0.570 120.987 120.400 0.028 0.000 2.295 400 D HA 0.296 4.937 4.640 0.001 0.000 0.248 400 D C 0.961 177.288 176.300 0.046 0.000 1.154 400 D CA 0.042 54.062 54.000 0.034 0.000 0.857 400 D CB 1.244 42.064 40.800 0.033 0.000 1.117 400 D HN 0.507 nan 8.370 nan 0.000 0.468 401 V N 4.434 124.379 119.914 0.052 0.000 2.317 401 V HA -0.298 3.822 4.120 0.001 0.000 0.251 401 V C 1.721 177.878 176.094 0.105 0.000 1.065 401 V CA 2.292 64.634 62.300 0.070 0.000 1.049 401 V CB -0.387 31.479 31.823 0.071 0.000 0.651 401 V HN 0.523 nan 8.190 nan 0.000 0.450 402 D N 0.361 120.819 120.400 0.096 0.000 2.351 402 D HA -0.096 4.544 4.640 0.001 0.000 0.216 402 D C 1.307 177.661 176.300 0.089 0.000 0.968 402 D CA 1.356 55.416 54.000 0.100 0.000 0.899 402 D CB -0.087 40.754 40.800 0.068 0.000 0.907 402 D HN 0.691 nan 8.370 nan 0.000 0.514 403 D N -0.767 119.679 120.400 0.076 0.000 2.369 403 D HA 0.077 4.718 4.640 0.001 0.000 0.211 403 D C 0.869 177.212 176.300 0.071 0.000 1.077 403 D CA 0.073 54.112 54.000 0.066 0.000 0.842 403 D CB 0.444 41.272 40.800 0.048 0.000 0.947 403 D HN 0.219 nan 8.370 nan 0.000 0.509 404 M N 0.598 120.250 119.600 0.086 0.000 2.359 404 M HA 0.196 4.677 4.480 0.001 0.000 0.322 404 M C 0.076 176.440 176.300 0.105 0.000 1.166 404 M CA -1.191 54.155 55.300 0.076 0.000 1.067 404 M CB 1.616 34.251 32.600 0.059 0.000 1.523 404 M HN -0.168 nan 8.290 nan 0.000 0.467 405 L N 3.011 124.278 121.223 0.073 0.000 2.706 405 L HA -0.109 4.232 4.340 0.001 0.000 0.282 405 L C -0.584 176.363 176.870 0.129 0.000 1.219 405 L CA 0.942 55.830 54.840 0.081 0.000 0.935 405 L CB -0.077 42.001 42.059 0.032 0.000 1.204 405 L HN 0.617 nan 8.230 nan 0.000 0.491 406 W N 7.351 128.632 121.300 -0.031 0.000 2.356 406 W HA 0.185 4.846 4.660 0.001 0.000 0.311 406 W C -0.843 175.657 176.519 -0.033 0.000 1.328 406 W CA -0.555 56.775 57.345 -0.026 0.000 1.251 406 W CB 0.775 30.222 29.460 -0.023 0.000 1.280 406 W HN 0.546 nan 8.180 nan 0.000 0.524 407 Q N 6.003 125.421 119.800 -0.636 0.000 3.429 407 Q HA 0.218 4.558 4.340 0.001 0.000 0.237 407 Q C -1.316 174.287 176.000 -0.662 0.000 0.932 407 Q CA -0.285 55.223 55.803 -0.493 0.000 0.731 407 Q CB 1.359 29.940 28.738 -0.261 0.000 1.383 407 Q HN 0.284 nan 8.270 nan 0.000 0.446 408 V N 2.068 121.496 119.914 -0.810 0.000 2.525 408 V HA 0.399 4.520 4.120 0.001 0.000 0.299 408 V C -2.317 173.592 176.094 -0.307 0.000 1.034 408 V CA -1.981 59.950 62.300 -0.615 0.000 0.863 408 V CB 2.162 33.464 31.823 -0.867 0.000 0.999 408 V HN 0.335 nan 8.190 nan 0.000 0.423 409 P HA 0.168 nan 4.420 nan 0.000 0.265 409 P C -0.281 176.936 177.300 -0.139 0.000 1.193 409 P CA 0.684 63.597 63.100 -0.312 0.000 0.765 409 P CB -0.007 31.519 31.700 -0.290 0.000 0.823 410 Y N -0.739 119.510 120.300 -0.086 0.000 4.779 410 Y HA -0.239 4.312 4.550 0.001 0.000 0.284 410 Y C 0.296 176.229 175.900 0.055 0.000 0.973 410 Y CA 0.205 58.273 58.100 -0.053 0.000 1.792 410 Y CB -1.821 36.576 38.460 -0.104 0.000 1.120 410 Y HN 0.248 nan 8.280 nan 0.000 0.450 411 L N 3.020 124.377 121.223 0.223 0.000 2.353 411 L HA 0.305 4.646 4.340 0.001 0.000 0.270 411 L C -1.428 175.709 176.870 0.445 0.000 1.003 411 L CA -1.815 53.236 54.840 0.353 0.000 0.862 411 L CB 1.402 43.745 42.059 0.473 0.000 1.221 411 L HN -0.273 nan 8.230 nan 0.000 0.430 412 P HA -0.129 nan 4.420 nan 0.000 0.218 412 P C 0.242 177.713 177.300 0.285 0.000 1.148 412 P CA 1.399 64.658 63.100 0.264 0.000 0.822 412 P CB 0.275 32.081 31.700 0.176 0.000 0.784 413 I N -4.720 115.960 120.570 0.182 0.000 2.934 413 I HA 0.542 4.713 4.170 0.001 0.000 0.306 413 I C -0.784 174.873 176.117 -0.766 0.000 1.110 413 I CA -1.563 59.602 61.300 -0.226 0.000 1.019 413 I CB 2.119 40.181 38.000 0.103 0.000 1.227 413 I HN -0.414 nan 8.210 nan 0.000 0.434 414 D N 4.985 124.449 120.400 -1.560 0.000 2.382 414 D HA 0.225 4.866 4.640 0.001 0.000 0.259 414 D C -1.774 174.135 176.300 -0.650 0.000 1.224 414 D CA -1.963 51.042 54.000 -1.658 0.000 0.894 414 D CB 1.572 41.559 40.800 -1.354 0.000 1.127 414 D HN 0.328 nan 8.370 nan 0.000 0.487 415 P HA -0.182 nan 4.420 nan 0.000 0.217 415 P C 1.361 178.404 177.300 -0.427 0.000 1.148 415 P CA 2.006 64.712 63.100 -0.656 0.000 0.828 415 P CB 0.136 31.532 31.700 -0.507 0.000 0.783 416 R N 0.250 120.587 120.500 -0.272 0.000 2.152 416 R HA -0.163 4.178 4.340 0.001 0.000 0.232 416 R C 1.721 177.934 176.300 -0.145 0.000 1.117 416 R CA 1.971 57.973 56.100 -0.164 0.000 0.981 416 R CB -2.215 28.031 30.300 -0.091 0.000 0.870 416 R HN 0.236 nan 8.270 nan 0.000 0.451 417 D N 0.044 120.348 120.400 -0.160 0.000 2.310 417 D HA -0.081 4.559 4.640 0.001 0.000 0.212 417 D C 1.599 177.816 176.300 -0.139 0.000 0.965 417 D CA 1.778 55.731 54.000 -0.078 0.000 0.879 417 D CB 0.386 41.246 40.800 0.099 0.000 0.921 417 D HN 0.477 nan 8.370 nan 0.000 0.510 418 V N -4.163 115.662 119.914 -0.148 0.000 3.319 418 V HA 0.540 4.661 4.120 0.001 0.000 0.317 418 V C 1.231 177.271 176.094 -0.089 0.000 1.411 418 V CA 0.218 62.451 62.300 -0.111 0.000 1.112 418 V CB 0.086 31.888 31.823 -0.035 0.000 1.031 418 V HN 0.113 nan 8.190 nan 0.000 0.448 419 G N 0.904 109.638 108.800 -0.111 0.000 2.176 419 G HA2 -0.211 3.749 3.960 0.001 0.000 0.252 419 G HA3 -0.211 3.749 3.960 0.001 0.000 0.252 419 G C 0.250 175.097 174.900 -0.088 0.000 1.024 419 G CA 0.494 45.545 45.100 -0.082 0.000 0.755 419 G HN 0.588 nan 8.290 nan 0.000 0.507 420 R N -0.545 119.853 120.500 -0.169 0.000 2.893 420 R HA 0.841 5.182 4.340 0.001 0.000 0.245 420 R C 0.326 176.527 176.300 -0.165 0.000 1.192 420 R CA 0.281 56.277 56.100 -0.173 0.000 1.077 420 R CB 1.118 31.235 30.300 -0.304 0.000 1.253 420 R HN 0.574 nan 8.270 nan 0.000 0.505 421 T N -2.129 112.379 114.554 -0.076 0.000 2.893 421 T HA 0.324 4.675 4.350 0.001 0.000 0.293 421 T C -0.688 174.073 174.700 0.103 0.000 1.027 421 T CA -0.743 61.356 62.100 -0.001 0.000 0.988 421 T CB 1.304 70.176 68.868 0.007 0.000 1.043 421 T HN 0.441 nan 8.240 nan 0.000 0.461 422 Y N 1.537 121.873 120.300 0.059 0.000 2.425 422 Y HA 0.490 5.041 4.550 0.001 0.000 0.331 422 Y C -0.100 175.847 175.900 0.078 0.000 1.157 422 Y CA -0.535 57.642 58.100 0.129 0.000 1.372 422 Y CB 0.658 39.220 38.460 0.169 0.000 1.253 422 Y HN 0.816 nan 8.280 nan 0.000 0.536 423 E N 4.348 124.123 120.200 -0.708 0.000 2.216 423 E HA 0.575 4.926 4.350 0.001 0.000 0.260 423 E C -1.266 174.762 176.600 -0.953 0.000 0.880 423 E CA -0.872 55.103 56.400 -0.709 0.000 0.765 423 E CB 1.369 30.879 29.700 -0.317 0.000 1.174 423 E HN 0.790 nan 8.360 nan 0.000 0.417 424 A N 3.255 125.546 122.820 -0.881 0.000 2.347 424 A HA 0.456 4.777 4.320 0.001 0.000 0.287 424 A C -0.115 177.263 177.584 -0.342 0.000 1.199 424 A CA -0.252 51.518 52.037 -0.446 0.000 0.851 424 A CB 0.247 19.150 19.000 -0.162 0.000 1.118 424 A HN 0.412 nan 8.150 nan 0.000 0.525 425 V N 0.000 119.663 119.914 -0.418 0.000 2.409 425 V HA 0.000 4.121 4.120 0.001 0.000 0.244 425 V CA 0.000 62.050 62.300 -0.417 0.000 1.235 425 V CB 0.000 31.375 31.823 -0.746 0.000 1.184 425 V HN 0.000 nan 8.190 nan 0.000 0.556