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 2sfp_1_A DATA FIRST_RESID 3 DATA SEQUENCE DFHRDTWAEV DLDAIYDNVE NLRRLLPDDT HIMAVVKANA YGHGDVQVAR DATA SEQUENCE TALEAGASRL AVAFLDEALA LREKGIEAPI LVLGASRPAD AALAAQQRIA DATA SEQUENCE LTVFRSDWLE EASALYSGPF PIHFHLXMDT GMGRLGVKDE EETKRIVALI DATA SEQUENCE ERHPHFVLEG LYTHFATADE VNTDYFSYQY TRFLHMLEWL PSRPPLVHCA DATA SEQUENCE NSAASLRFPD RTFNMVRFGI AMYGLAPSPG IKPLLPYPLK EAFSLHSRLV DATA SEQUENCE HVKKLQPGEK VSYGATYTAQ TEEWIGTIPI GYADGWLRRL QHFHVLVDGQ DATA SEQUENCE KAPIVGRICM DQCMIRLPGP LPVGTKVTLI GRQGDEVISI DDVARHLETI DATA SEQUENCE NYEVPCTISY RVPRIFFRHK RIMEVRNAI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.289 176.300 -0.019 0.000 2.045 3 D CA 0.000 53.970 54.000 -0.050 0.000 0.868 3 D CB 0.000 40.751 40.800 -0.082 0.000 0.688 4 F N 0.093 119.814 119.950 -0.381 0.000 2.591 4 F HA 0.625 5.152 4.527 -0.000 0.000 0.309 4 F C -0.482 174.982 175.800 -0.560 0.000 1.098 4 F CA -0.736 57.062 58.000 -0.336 0.000 0.937 4 F CB 1.531 40.452 39.000 -0.131 0.000 1.250 4 F HN 0.246 nan 8.300 nan 0.000 0.447 5 H N 0.923 120.065 119.070 0.120 0.000 2.467 5 H HA 0.398 4.954 4.556 -0.000 0.000 0.275 5 H C -0.463 174.915 175.328 0.084 0.000 1.131 5 H CA -0.386 55.671 56.048 0.016 0.000 0.989 5 H CB 0.467 30.233 29.762 0.007 0.000 1.696 5 H HN 0.604 nan 8.280 nan 0.000 0.574 6 R N 0.548 121.204 120.500 0.261 0.000 2.621 6 R HA 0.168 4.508 4.340 -0.000 0.000 0.284 6 R C -1.209 175.303 176.300 0.353 0.000 0.998 6 R CA -0.690 55.552 56.100 0.237 0.000 0.895 6 R CB 1.216 31.630 30.300 0.191 0.000 1.195 6 R HN 0.080 nan 8.270 nan 0.000 0.450 7 D N 3.029 123.598 120.400 0.280 0.000 3.032 7 D HA 0.115 4.755 4.640 -0.000 0.000 0.241 7 D C -0.815 175.784 176.300 0.498 0.000 1.196 7 D CA 0.569 54.820 54.000 0.418 0.000 0.927 7 D CB 0.673 41.645 40.800 0.286 0.000 1.129 7 D HN 0.359 nan 8.370 nan 0.000 0.458 8 T N 0.843 115.668 114.554 0.453 0.000 2.928 8 T HA 0.522 4.871 4.350 -0.000 0.000 0.296 8 T C -0.819 173.991 174.700 0.184 0.000 1.000 8 T CA -0.853 61.352 62.100 0.176 0.000 0.989 8 T CB 1.329 70.191 68.868 -0.011 0.000 1.005 8 T HN 0.322 nan 8.240 nan 0.000 0.442 9 W N 1.847 123.029 121.300 -0.197 0.000 3.153 9 W HA 0.808 5.468 4.660 -0.000 0.000 0.316 9 W C -1.728 174.637 176.519 -0.257 0.000 1.255 9 W CA -1.376 55.769 57.345 -0.333 0.000 1.192 9 W CB 0.532 29.690 29.460 -0.502 0.000 1.400 9 W HN 0.765 nan 8.180 nan 0.000 0.568 10 A N 1.540 124.194 122.820 -0.277 0.000 2.320 10 A HA 0.799 5.119 4.320 -0.000 0.000 0.334 10 A C -0.887 176.522 177.584 -0.292 0.000 1.147 10 A CA -0.799 50.936 52.037 -0.503 0.000 0.820 10 A CB 1.249 19.843 19.000 -0.675 0.000 1.218 10 A HN 0.669 nan 8.150 nan 0.000 0.482 11 E N 0.361 120.349 120.200 -0.352 0.000 2.222 11 E HA 0.532 4.882 4.350 -0.000 0.000 0.267 11 E C -1.549 174.894 176.600 -0.262 0.000 0.884 11 E CA -0.720 55.624 56.400 -0.092 0.000 0.764 11 E CB 2.355 32.138 29.700 0.138 0.000 1.169 11 E HN 0.320 nan 8.360 nan 0.000 0.413 12 V N 2.565 122.393 119.914 -0.144 0.000 2.407 12 V HA 0.115 4.235 4.120 -0.000 0.000 0.291 12 V C -0.631 175.589 176.094 0.210 0.000 1.018 12 V CA -0.833 61.467 62.300 -0.000 0.000 0.842 12 V CB 1.605 33.390 31.823 -0.064 0.000 0.996 12 V HN 0.633 nan 8.190 nan 0.000 0.426 13 D N 4.394 124.913 120.400 0.198 0.000 2.422 13 D HA 0.257 4.897 4.640 -0.000 0.000 0.227 13 D C 0.997 177.425 176.300 0.212 0.000 1.190 13 D CA -0.054 54.062 54.000 0.193 0.000 0.905 13 D CB 1.112 41.965 40.800 0.087 0.000 1.034 13 D HN 0.468 nan 8.370 nan 0.000 0.507 14 L N 2.397 123.763 121.223 0.239 0.000 2.362 14 L HA -0.086 4.254 4.340 -0.000 0.000 0.219 14 L C 1.445 178.393 176.870 0.129 0.000 1.134 14 L CA 0.504 55.458 54.840 0.190 0.000 0.807 14 L CB -0.022 42.139 42.059 0.171 0.000 0.927 14 L HN 0.281 nan 8.230 nan 0.000 0.447 15 D N 0.519 120.974 120.400 0.093 0.000 2.144 15 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 15 D C 2.271 178.648 176.300 0.129 0.000 0.978 15 D CA 1.409 55.447 54.000 0.063 0.000 0.833 15 D CB 0.082 40.900 40.800 0.029 0.000 0.961 15 D HN 0.293 nan 8.370 nan 0.000 0.470 16 A N 0.630 123.520 122.820 0.117 0.000 1.898 16 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 16 A C 2.354 180.001 177.584 0.105 0.000 1.181 16 A CA 0.813 52.916 52.037 0.110 0.000 0.620 16 A CB -0.694 18.369 19.000 0.105 0.000 0.819 16 A HN 0.172 nan 8.150 nan 0.000 0.442 17 I N -2.053 118.577 120.570 0.099 0.000 2.226 17 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 17 I C 2.412 178.563 176.117 0.057 0.000 1.100 17 I CA 1.601 62.919 61.300 0.031 0.000 1.374 17 I CB -0.326 37.681 38.000 0.012 0.000 1.057 17 I HN 0.546 nan 8.210 nan 0.000 0.413 18 Y N 1.937 122.234 120.300 -0.005 0.000 2.097 18 Y HA -0.356 4.194 4.550 -0.000 0.000 0.282 18 Y C 2.213 178.106 175.900 -0.011 0.000 1.152 18 Y CA 2.056 60.148 58.100 -0.012 0.000 1.136 18 Y CB -0.250 38.197 38.460 -0.021 0.000 0.975 18 Y HN 0.195 nan 8.280 nan 0.000 0.498 19 D N -0.187 120.320 120.400 0.177 0.000 2.117 19 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 19 D C 1.757 178.042 176.300 -0.025 0.000 0.987 19 D CA 1.362 55.404 54.000 0.069 0.000 0.829 19 D CB -0.458 40.405 40.800 0.104 0.000 0.961 19 D HN 0.407 nan 8.370 nan 0.000 0.460 20 N N 0.089 118.825 118.700 0.060 0.000 2.166 20 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 20 N C 1.939 177.557 175.510 0.180 0.000 1.019 20 N CA 0.491 53.654 53.050 0.188 0.000 0.856 20 N CB -0.285 38.306 38.487 0.174 0.000 0.993 20 N HN 0.128 nan 8.380 nan 0.000 0.426 21 V N 1.090 121.024 119.914 0.034 0.000 2.346 21 V HA -0.102 4.018 4.120 -0.000 0.000 0.244 21 V C 2.305 178.254 176.094 -0.242 0.000 1.037 21 V CA 1.224 63.486 62.300 -0.063 0.000 1.029 21 V CB -0.474 31.286 31.823 -0.105 0.000 0.663 21 V HN 0.303 nan 8.190 nan 0.000 0.454 22 E N 0.548 120.546 120.200 -0.336 0.000 2.118 22 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 22 E C 2.016 178.431 176.600 -0.310 0.000 0.992 22 E CA 1.446 57.639 56.400 -0.346 0.000 0.804 22 E CB -0.054 29.418 29.700 -0.380 0.000 0.741 22 E HN 0.552 nan 8.360 nan 0.000 0.458 23 N N 0.569 119.027 118.700 -0.403 0.000 2.244 23 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 23 N C 1.819 177.008 175.510 -0.535 0.000 1.016 23 N CA 0.670 53.324 53.050 -0.660 0.000 0.866 23 N CB -0.240 37.400 38.487 -1.413 0.000 0.980 23 N HN 0.218 nan 8.380 nan 0.000 0.430 24 L N 1.219 122.235 121.223 -0.344 0.000 2.109 24 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 24 L C 2.304 179.040 176.870 -0.223 0.000 1.086 24 L CA 1.380 56.092 54.840 -0.214 0.000 0.760 24 L CB -0.405 41.361 42.059 -0.489 0.000 0.910 24 L HN -0.089 nan 8.230 nan 0.000 0.437 25 R N -0.011 120.344 120.500 -0.241 0.000 2.105 25 R HA -0.108 4.232 4.340 -0.000 0.000 0.239 25 R C 2.254 178.465 176.300 -0.148 0.000 1.135 25 R CA 1.576 57.563 56.100 -0.187 0.000 0.967 25 R CB -0.371 29.816 30.300 -0.187 0.000 0.861 25 R HN 0.330 nan 8.270 nan 0.000 0.442 26 R N -0.200 120.203 120.500 -0.161 0.000 2.235 26 R HA -0.048 4.291 4.340 -0.000 0.000 0.213 26 R C 1.955 178.200 176.300 -0.092 0.000 1.059 26 R CA 1.148 57.173 56.100 -0.124 0.000 0.997 26 R CB -0.257 29.955 30.300 -0.145 0.000 0.884 26 R HN 0.295 nan 8.270 nan 0.000 0.462 27 L N 0.265 121.436 121.223 -0.087 0.000 2.463 27 L HA 0.202 4.542 4.340 -0.000 0.000 0.219 27 L C 0.426 177.276 176.870 -0.033 0.000 1.088 27 L CA 0.539 55.356 54.840 -0.037 0.000 0.849 27 L CB 0.370 42.438 42.059 0.015 0.000 1.012 27 L HN -0.078 nan 8.230 nan 0.000 0.468 28 L N 1.225 122.415 121.223 -0.055 0.000 2.421 28 L HA 0.384 4.724 4.340 -0.000 0.000 0.263 28 L C -1.900 174.947 176.870 -0.039 0.000 1.122 28 L CA -2.190 52.626 54.840 -0.040 0.000 0.804 28 L CB 0.156 42.181 42.059 -0.055 0.000 1.150 28 L HN -0.037 nan 8.230 nan 0.000 0.457 29 P HA 0.016 nan 4.420 nan 0.000 0.269 29 P C -0.533 176.739 177.300 -0.047 0.000 1.209 29 P CA -0.218 62.866 63.100 -0.025 0.000 0.776 29 P CB 0.498 32.193 31.700 -0.008 0.000 0.876 30 D N 1.064 121.433 120.400 -0.052 0.000 2.392 30 D HA -0.127 4.513 4.640 -0.000 0.000 0.228 30 D C 0.851 177.091 176.300 -0.100 0.000 1.003 30 D CA 1.083 55.039 54.000 -0.074 0.000 0.917 30 D CB -0.398 40.367 40.800 -0.057 0.000 0.890 30 D HN 0.598 nan 8.370 nan 0.000 0.532 31 D N -1.157 119.195 120.400 -0.080 0.000 2.392 31 D HA -0.035 4.605 4.640 -0.000 0.000 0.206 31 D C 0.186 176.409 176.300 -0.127 0.000 1.046 31 D CA 0.030 53.978 54.000 -0.088 0.000 0.865 31 D CB -0.011 40.780 40.800 -0.016 0.000 0.969 31 D HN -0.236 nan 8.370 nan 0.000 0.509 32 T N 0.425 114.923 114.554 -0.093 0.000 2.761 32 T HA 0.186 4.536 4.350 -0.000 0.000 0.296 32 T C -0.666 173.960 174.700 -0.124 0.000 0.934 32 T CA -0.340 61.738 62.100 -0.037 0.000 1.091 32 T CB 0.634 69.515 68.868 0.021 0.000 0.896 32 T HN 0.168 nan 8.240 nan 0.000 0.515 33 H N 1.648 120.723 119.070 0.007 0.000 2.562 33 H HA 0.427 4.983 4.556 -0.000 0.000 0.352 33 H C 0.167 175.477 175.328 -0.030 0.000 1.125 33 H CA -0.370 55.666 56.048 -0.020 0.000 1.379 33 H CB 0.566 30.312 29.762 -0.027 0.000 1.464 33 H HN 0.482 nan 8.280 nan 0.000 0.563 34 I N 3.114 123.719 120.570 0.059 0.000 2.339 34 I HA 0.159 4.329 4.170 -0.000 0.000 0.290 34 I C -0.281 175.854 176.117 0.030 0.000 0.994 34 I CA -0.310 60.994 61.300 0.006 0.000 1.191 34 I CB 0.952 38.906 38.000 -0.076 0.000 1.343 34 I HN 0.424 nan 8.210 nan 0.000 0.458 35 M N 6.979 126.601 119.600 0.036 0.000 2.055 35 M HA 0.533 5.013 4.480 -0.000 0.000 0.347 35 M C -0.281 176.051 176.300 0.052 0.000 1.123 35 M CA -0.481 54.821 55.300 0.004 0.000 1.035 35 M CB 0.917 33.478 32.600 -0.064 0.000 1.484 35 M HN 0.673 nan 8.290 nan 0.000 0.428 36 A N 5.260 128.100 122.820 0.034 0.000 2.451 36 A HA 0.453 4.773 4.320 -0.000 0.000 0.266 36 A C -0.382 177.216 177.584 0.022 0.000 1.119 36 A CA -0.477 51.581 52.037 0.035 0.000 0.786 36 A CB -0.058 18.941 19.000 -0.003 0.000 1.061 36 A HN 0.694 nan 8.150 nan 0.000 0.503 37 V N 4.006 123.939 119.914 0.032 0.000 2.389 37 V HA 0.158 4.278 4.120 -0.000 0.000 0.264 37 V C 0.582 176.749 176.094 0.123 0.000 1.049 37 V CA 0.070 62.425 62.300 0.091 0.000 0.932 37 V CB 1.110 33.032 31.823 0.165 0.000 1.011 37 V HN 0.647 nan 8.190 nan 0.000 0.475 38 V N 5.947 125.950 119.914 0.149 0.000 2.988 38 V HA 0.138 4.258 4.120 -0.000 0.000 0.356 38 V C 0.976 177.192 176.094 0.204 0.000 1.380 38 V CA -0.412 62.004 62.300 0.193 0.000 1.184 38 V CB 0.068 31.955 31.823 0.107 0.000 1.204 38 V HN 0.942 nan 8.190 nan 0.000 0.530 39 K N 1.094 121.638 120.400 0.240 0.000 2.230 39 K HA 0.510 4.830 4.320 -0.000 0.000 0.253 39 K C 0.648 177.343 176.600 0.158 0.000 1.008 39 K CA 0.468 56.839 56.287 0.139 0.000 0.910 39 K CB 0.653 33.224 32.500 0.118 0.000 0.994 39 K HN 0.578 nan 8.250 nan 0.000 0.495 40 A N 1.458 124.323 122.820 0.076 0.000 2.739 40 A HA -0.233 4.087 4.320 -0.000 0.000 0.296 40 A C 0.366 178.015 177.584 0.108 0.000 1.488 40 A CA 1.054 53.136 52.037 0.075 0.000 0.746 40 A CB -2.464 16.531 19.000 -0.009 0.000 1.047 40 A HN 1.068 nan 8.150 nan 0.000 0.477 41 N N -2.425 116.340 118.700 0.108 0.000 2.740 41 N HA 0.052 4.792 4.740 -0.000 0.000 0.248 41 N C 0.456 176.090 175.510 0.206 0.000 1.062 41 N CA 2.430 55.564 53.050 0.140 0.000 0.704 41 N CB -1.604 36.968 38.487 0.141 0.000 0.968 41 N HN 2.408 nan 8.380 nan 0.000 0.547 42 A N -0.064 122.901 122.820 0.242 0.000 2.734 42 A HA -0.200 4.120 4.320 -0.000 0.000 0.296 42 A C 0.576 178.280 177.584 0.200 0.000 1.474 42 A CA 1.141 53.367 52.037 0.315 0.000 0.735 42 A CB -2.394 16.816 19.000 0.350 0.000 1.062 42 A HN 1.291 nan 8.150 nan 0.000 0.463 43 Y N -2.860 117.362 120.300 -0.131 0.000 3.305 43 Y HA -0.118 4.432 4.550 -0.000 0.000 0.212 43 Y C 1.917 177.740 175.900 -0.128 0.000 1.248 43 Y CA 1.864 59.813 58.100 -0.251 0.000 1.359 43 Y CB -1.886 36.137 38.460 -0.727 0.000 1.407 43 Y HN 2.415 nan 8.280 nan 0.000 0.572 44 G N -1.484 107.377 108.800 0.102 0.000 2.153 44 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.252 44 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.252 44 G C 0.527 175.497 174.900 0.117 0.000 0.994 44 G CA 0.731 45.858 45.100 0.044 0.000 0.698 44 G HN 0.670 nan 8.290 nan 0.000 0.521 45 H N -0.353 118.817 119.070 0.167 0.000 2.654 45 H HA 0.466 5.022 4.556 -0.000 0.000 0.264 45 H C 1.495 177.072 175.328 0.414 0.000 0.954 45 H CA 1.322 57.567 56.048 0.328 0.000 1.199 45 H CB 1.061 31.036 29.762 0.355 0.000 1.446 45 H HN 1.406 nan 8.280 nan 0.000 0.516 46 G N 1.506 110.582 108.800 0.459 0.000 3.306 46 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.672 46 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.672 46 G C 0.197 175.264 174.900 0.279 0.000 1.212 46 G CA -0.047 45.312 45.100 0.433 0.000 1.150 46 G HN 0.293 nan 8.290 nan 0.000 0.509 47 D N 1.369 121.880 120.400 0.185 0.000 2.103 47 D HA -0.220 4.420 4.640 -0.000 0.000 0.190 47 D C 2.644 178.984 176.300 0.068 0.000 0.997 47 D CA 2.746 56.820 54.000 0.122 0.000 0.833 47 D CB -0.865 39.981 40.800 0.077 0.000 0.961 47 D HN 1.212 nan 8.370 nan 0.000 0.447 48 V N -1.420 118.507 119.914 0.021 0.000 2.427 48 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 48 V C 2.404 178.460 176.094 -0.063 0.000 1.051 48 V CA 1.578 63.864 62.300 -0.024 0.000 1.048 48 V CB -1.314 30.483 31.823 -0.043 0.000 0.666 48 V HN -0.014 nan 8.190 nan 0.000 0.456 49 Q N 0.752 120.468 119.800 -0.140 0.000 2.124 49 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 49 Q C 2.263 178.242 176.000 -0.035 0.000 0.977 49 Q CA 2.152 57.809 55.803 -0.242 0.000 0.850 49 Q CB -0.707 27.569 28.738 -0.770 0.000 0.901 49 Q HN 0.607 nan 8.270 nan 0.000 0.429 50 V N 0.198 120.158 119.914 0.076 0.000 2.407 50 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 50 V C 2.090 178.208 176.094 0.040 0.000 1.041 50 V CA 1.372 63.734 62.300 0.104 0.000 1.040 50 V CB -0.992 30.943 31.823 0.187 0.000 0.671 50 V HN 0.392 nan 8.190 nan 0.000 0.455 51 A N 0.059 122.899 122.820 0.034 0.000 1.883 51 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 51 A C 2.392 179.979 177.584 0.005 0.000 1.186 51 A CA 2.083 54.128 52.037 0.013 0.000 0.624 51 A CB -0.545 18.461 19.000 0.009 0.000 0.822 51 A HN 0.453 nan 8.150 nan 0.000 0.444 52 R N -1.133 119.367 120.500 0.000 0.000 2.082 52 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 52 R C 2.419 178.737 176.300 0.030 0.000 1.136 52 R CA 2.086 58.189 56.100 0.005 0.000 0.935 52 R CB -0.835 29.457 30.300 -0.014 0.000 0.842 52 R HN 0.579 nan 8.270 nan 0.000 0.430 53 T N 0.800 115.379 114.554 0.042 0.000 2.699 53 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 53 T C 1.858 176.605 174.700 0.079 0.000 1.036 53 T CA 1.535 63.693 62.100 0.097 0.000 1.147 53 T CB -0.349 68.584 68.868 0.107 0.000 0.862 53 T HN 0.423 nan 8.240 nan 0.000 0.446 54 A N 1.200 124.030 122.820 0.016 0.000 1.908 54 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 54 A C 2.339 179.904 177.584 -0.032 0.000 1.181 54 A CA 1.306 53.325 52.037 -0.031 0.000 0.627 54 A CB -0.897 18.080 19.000 -0.037 0.000 0.818 54 A HN 0.487 nan 8.150 nan 0.000 0.445 55 L N -0.866 120.354 121.223 -0.004 0.000 2.083 55 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 55 L C 2.582 179.459 176.870 0.011 0.000 1.083 55 L CA 1.637 56.476 54.840 -0.001 0.000 0.752 55 L CB -0.551 41.513 42.059 0.007 0.000 0.899 55 L HN 0.472 nan 8.230 nan 0.000 0.433 56 E N -0.073 120.158 120.200 0.052 0.000 2.150 56 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 56 E C 2.144 178.799 176.600 0.092 0.000 0.985 56 E CA 1.007 57.477 56.400 0.117 0.000 0.814 56 E CB -0.066 29.764 29.700 0.217 0.000 0.752 56 E HN 0.496 nan 8.360 nan 0.000 0.466 57 A N -0.263 122.500 122.820 -0.094 0.000 2.169 57 A HA 0.187 4.507 4.320 -0.000 0.000 0.212 57 A C 1.705 179.123 177.584 -0.277 0.000 1.153 57 A CA 1.137 52.893 52.037 -0.468 0.000 0.756 57 A CB 0.209 18.746 19.000 -0.771 0.000 0.813 57 A HN 0.365 nan 8.150 nan 0.000 0.471 58 G N -2.734 105.980 108.800 -0.144 0.000 2.613 58 G HA2 0.285 4.245 3.960 -0.000 0.000 0.199 58 G HA3 0.285 4.245 3.960 -0.000 0.000 0.199 58 G C 0.355 175.205 174.900 -0.084 0.000 0.991 58 G CA 0.032 45.062 45.100 -0.116 0.000 0.756 58 G HN 1.216 nan 8.290 nan 0.000 0.515 59 A N 0.696 123.475 122.820 -0.069 0.000 2.386 59 A HA 0.708 5.028 4.320 -0.000 0.000 0.248 59 A C 1.368 178.949 177.584 -0.006 0.000 1.082 59 A CA 1.097 53.114 52.037 -0.033 0.000 0.789 59 A CB 0.620 19.607 19.000 -0.023 0.000 1.025 59 A HN 1.384 nan 8.150 nan 0.000 0.490 60 S N 0.467 116.184 115.700 0.027 0.000 2.632 60 S HA 0.357 4.827 4.470 -0.000 0.000 0.237 60 S C 0.537 175.145 174.600 0.013 0.000 1.037 60 S CA -0.345 57.885 58.200 0.050 0.000 1.009 60 S CB 0.264 63.562 63.200 0.163 0.000 0.974 60 S HN 0.727 nan 8.310 nan 0.000 0.544 61 R N -0.139 120.354 120.500 -0.012 0.000 2.764 61 R HA 0.740 5.080 4.340 -0.000 0.000 0.270 61 R C -1.847 174.423 176.300 -0.050 0.000 1.014 61 R CA -0.733 55.334 56.100 -0.055 0.000 0.904 61 R CB 1.470 31.706 30.300 -0.107 0.000 1.236 61 R HN 0.105 nan 8.270 nan 0.000 0.466 62 L N 0.378 121.561 121.223 -0.066 0.000 2.371 62 L HA 0.887 5.227 4.340 -0.000 0.000 0.262 62 L C -0.843 175.984 176.870 -0.072 0.000 1.006 62 L CA -1.037 53.773 54.840 -0.049 0.000 0.818 62 L CB 2.257 44.294 42.059 -0.035 0.000 1.354 62 L HN 0.713 nan 8.230 nan 0.000 0.415 63 A N 1.303 124.097 122.820 -0.042 0.000 2.414 63 A HA 0.900 5.220 4.320 -0.000 0.000 0.306 63 A C -0.849 176.728 177.584 -0.011 0.000 1.054 63 A CA -0.576 51.431 52.037 -0.051 0.000 0.724 63 A CB 1.919 20.891 19.000 -0.046 0.000 1.267 63 A HN 0.570 nan 8.150 nan 0.000 0.418 64 V N -1.455 118.440 119.914 -0.033 0.000 3.158 64 V HA 0.906 5.026 4.120 -0.000 0.000 0.311 64 V C 0.887 176.970 176.094 -0.019 0.000 1.181 64 V CA -0.045 62.232 62.300 -0.038 0.000 1.054 64 V CB 1.104 32.859 31.823 -0.115 0.000 1.085 64 V HN 1.530 nan 8.190 nan 0.000 0.446 65 A N 0.882 123.689 122.820 -0.020 0.000 1.874 65 A HA 0.525 4.845 4.320 -0.000 0.000 0.214 65 A C 0.718 178.438 177.584 0.228 0.000 1.189 65 A CA 1.713 53.823 52.037 0.122 0.000 0.615 65 A CB -0.446 18.715 19.000 0.268 0.000 0.830 65 A HN 1.484 nan 8.150 nan 0.000 0.443 66 F N -5.315 114.648 119.950 0.022 0.000 2.650 66 F HA 0.638 5.165 4.527 -0.000 0.000 0.320 66 F C 0.333 176.148 175.800 0.026 0.000 1.091 66 F CA -1.395 56.621 58.000 0.027 0.000 0.962 66 F CB 0.384 39.402 39.000 0.029 0.000 1.363 66 F HN -0.071 nan 8.300 nan 0.000 0.482 67 L N 1.627 122.962 121.223 0.186 0.000 2.034 67 L HA -0.204 4.136 4.340 -0.000 0.000 0.217 67 L C 1.478 178.342 176.870 -0.009 0.000 1.077 67 L CA 2.297 57.181 54.840 0.073 0.000 0.769 67 L CB -1.205 40.926 42.059 0.119 0.000 0.890 67 L HN 0.833 nan 8.230 nan 0.000 0.435 68 D N -0.973 119.461 120.400 0.057 0.000 2.158 68 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 68 D C 2.032 178.222 176.300 -0.182 0.000 0.995 68 D CA 1.579 55.578 54.000 -0.001 0.000 0.846 68 D CB -0.094 40.826 40.800 0.199 0.000 0.941 68 D HN 0.531 nan 8.370 nan 0.000 0.456 69 E N 0.114 120.029 120.200 -0.474 0.000 2.150 69 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 69 E C 2.099 178.581 176.600 -0.197 0.000 0.985 69 E CA 0.861 57.027 56.400 -0.390 0.000 0.814 69 E CB -0.051 29.302 29.700 -0.579 0.000 0.752 69 E HN 0.307 nan 8.360 nan 0.000 0.466 70 A N 1.029 123.750 122.820 -0.165 0.000 1.898 70 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 70 A C 2.158 179.700 177.584 -0.070 0.000 1.183 70 A CA 0.667 52.645 52.037 -0.098 0.000 0.622 70 A CB -0.458 18.493 19.000 -0.082 0.000 0.824 70 A HN 0.100 nan 8.150 nan 0.000 0.444 71 L N -0.590 120.597 121.223 -0.060 0.000 2.083 71 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 71 L C 3.013 179.863 176.870 -0.034 0.000 1.083 71 L CA 1.003 55.819 54.840 -0.039 0.000 0.752 71 L CB -0.540 41.505 42.059 -0.022 0.000 0.899 71 L HN 0.422 nan 8.230 nan 0.000 0.433 72 A N 0.034 122.829 122.820 -0.041 0.000 1.969 72 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 72 A C 2.268 179.838 177.584 -0.024 0.000 1.169 72 A CA 1.262 53.283 52.037 -0.027 0.000 0.635 72 A CB -0.536 18.445 19.000 -0.031 0.000 0.810 72 A HN 0.358 nan 8.150 nan 0.000 0.445 73 L N -1.208 119.994 121.223 -0.035 0.000 2.109 73 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 73 L C 2.806 179.662 176.870 -0.024 0.000 1.086 73 L CA 0.719 55.543 54.840 -0.027 0.000 0.760 73 L CB -0.376 41.663 42.059 -0.033 0.000 0.910 73 L HN 0.265 nan 8.230 nan 0.000 0.437 74 R N 0.100 120.584 120.500 -0.028 0.000 2.096 74 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 74 R C 1.993 178.284 176.300 -0.016 0.000 1.127 74 R CA 1.050 57.135 56.100 -0.024 0.000 0.968 74 R CB -0.385 29.897 30.300 -0.030 0.000 0.861 74 R HN 0.455 nan 8.270 nan 0.000 0.440 75 E N 0.665 120.857 120.200 -0.014 0.000 2.204 75 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 75 E C 1.006 177.603 176.600 -0.005 0.000 0.989 75 E CA 0.851 57.247 56.400 -0.007 0.000 0.824 75 E CB 0.141 29.839 29.700 -0.004 0.000 0.756 75 E HN 0.274 nan 8.360 nan 0.000 0.477 76 K N -0.701 119.694 120.400 -0.008 0.000 2.437 76 K HA 0.094 4.414 4.320 -0.000 0.000 0.198 76 K C 0.799 177.392 176.600 -0.011 0.000 1.024 76 K CA 0.419 56.701 56.287 -0.009 0.000 1.148 76 K CB 0.766 33.260 32.500 -0.011 0.000 0.860 76 K HN 0.176 nan 8.250 nan 0.000 0.515 77 G N 1.252 110.046 108.800 -0.009 0.000 2.157 77 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 77 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 77 G C 0.083 174.978 174.900 -0.009 0.000 0.979 77 G CA -0.503 44.592 45.100 -0.008 0.000 0.650 77 G HN 0.162 nan 8.290 nan 0.000 0.529 78 I N 1.055 121.617 120.570 -0.013 0.000 2.496 78 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 78 I C 1.149 177.257 176.117 -0.014 0.000 1.080 78 I CA 0.401 61.693 61.300 -0.014 0.000 1.404 78 I CB 1.056 39.045 38.000 -0.017 0.000 1.403 78 I HN 0.271 nan 8.210 nan 0.000 0.539 79 E N 3.574 123.768 120.200 -0.010 0.000 2.526 79 E HA 0.239 4.589 4.350 -0.000 0.000 0.208 79 E C 0.471 177.063 176.600 -0.013 0.000 0.997 79 E CA -0.216 56.179 56.400 -0.008 0.000 0.961 79 E CB 0.922 30.622 29.700 0.000 0.000 1.030 79 E HN 0.768 nan 8.360 nan 0.000 0.483 80 A N 2.523 125.332 122.820 -0.018 0.000 2.313 80 A HA 0.357 4.677 4.320 -0.000 0.000 0.261 80 A C -2.290 175.269 177.584 -0.041 0.000 1.090 80 A CA -1.242 50.780 52.037 -0.025 0.000 0.807 80 A CB -0.169 18.818 19.000 -0.021 0.000 1.055 80 A HN -0.102 nan 8.150 nan 0.000 0.492 81 P HA 0.304 nan 4.420 nan 0.000 0.266 81 P C -0.928 176.318 177.300 -0.090 0.000 1.195 81 P CA 0.620 63.671 63.100 -0.083 0.000 0.768 81 P CB 0.317 31.952 31.700 -0.109 0.000 0.838 82 I N 2.352 122.863 120.570 -0.098 0.000 2.533 82 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 82 I C -0.480 175.557 176.117 -0.134 0.000 1.056 82 I CA -1.078 60.160 61.300 -0.103 0.000 1.057 82 I CB 2.114 40.067 38.000 -0.079 0.000 1.240 82 I HN 0.146 nan 8.210 nan 0.000 0.423 83 L N 7.778 128.899 121.223 -0.171 0.000 2.313 83 L HA 0.575 4.915 4.340 -0.000 0.000 0.283 83 L C -0.839 175.948 176.870 -0.138 0.000 1.013 83 L CA -0.393 54.314 54.840 -0.221 0.000 0.816 83 L CB 1.745 43.557 42.059 -0.412 0.000 1.236 83 L HN 0.328 nan 8.230 nan 0.000 0.419 84 V N 7.214 127.075 119.914 -0.087 0.000 2.408 84 V HA 0.127 4.247 4.120 -0.000 0.000 0.267 84 V C 1.286 177.386 176.094 0.009 0.000 1.047 84 V CA -0.099 62.186 62.300 -0.024 0.000 0.937 84 V CB 0.993 32.825 31.823 0.014 0.000 0.999 84 V HN 0.855 nan 8.190 nan 0.000 0.472 85 L N 4.255 125.493 121.223 0.025 0.000 2.217 85 L HA 0.150 4.490 4.340 -0.000 0.000 0.211 85 L C 1.659 178.588 176.870 0.097 0.000 1.107 85 L CA 1.178 56.065 54.840 0.078 0.000 0.783 85 L CB -0.355 41.736 42.059 0.053 0.000 0.919 85 L HN 0.770 nan 8.230 nan 0.000 0.442 86 G N -0.790 108.064 108.800 0.091 0.000 2.606 86 G HA2 0.612 4.572 3.960 -0.000 0.000 0.262 86 G HA3 0.612 4.572 3.960 -0.000 0.000 0.262 86 G C -0.563 174.417 174.900 0.134 0.000 1.394 86 G CA 0.022 45.174 45.100 0.087 0.000 1.044 86 G HN 0.188 nan 8.290 nan 0.000 0.553 87 A N -0.951 121.964 122.820 0.158 0.000 2.287 87 A HA 0.731 5.051 4.320 -0.000 0.000 0.273 87 A C 0.486 178.177 177.584 0.179 0.000 1.091 87 A CA 0.464 52.622 52.037 0.202 0.000 0.817 87 A CB 0.572 19.735 19.000 0.272 0.000 1.069 87 A HN 1.859 nan 8.150 nan 0.000 0.492 88 S N -0.078 115.749 115.700 0.211 0.000 2.625 88 S HA 0.664 5.134 4.470 -0.000 0.000 0.271 88 S C -0.853 174.017 174.600 0.450 0.000 1.161 88 S CA -1.058 57.311 58.200 0.282 0.000 0.820 88 S CB 1.030 64.391 63.200 0.268 0.000 1.137 88 S HN 0.740 nan 8.310 nan 0.000 0.470 89 R N 0.733 121.418 120.500 0.308 0.000 2.357 89 R HA 0.358 4.698 4.340 -0.000 0.000 0.296 89 R C -2.040 174.303 176.300 0.071 0.000 1.052 89 R CA -1.983 54.237 56.100 0.201 0.000 0.988 89 R CB 0.135 30.486 30.300 0.086 0.000 1.025 89 R HN 0.424 nan 8.270 nan 0.000 0.469 90 P HA -0.210 nan 4.420 nan 0.000 0.216 90 P C 0.787 177.874 177.300 -0.355 0.000 1.150 90 P CA 1.362 63.954 63.100 -0.847 0.000 0.843 90 P CB 0.175 31.290 31.700 -0.974 0.000 0.787 91 A N -0.993 121.720 122.820 -0.178 0.000 2.239 91 A HA -0.097 4.223 4.320 -0.000 0.000 0.209 91 A C 1.441 179.008 177.584 -0.027 0.000 1.171 91 A CA 1.261 53.252 52.037 -0.076 0.000 0.768 91 A CB -0.867 18.106 19.000 -0.044 0.000 0.790 91 A HN 0.048 nan 8.150 nan 0.000 0.478 92 D N -1.027 119.366 120.400 -0.012 0.000 2.369 92 D HA 0.316 4.956 4.640 -0.000 0.000 0.211 92 D C 1.904 178.206 176.300 0.003 0.000 1.077 92 D CA 0.753 54.767 54.000 0.022 0.000 0.842 92 D CB 0.250 41.093 40.800 0.072 0.000 0.947 92 D HN 0.336 nan 8.370 nan 0.000 0.509 93 A N 1.053 123.855 122.820 -0.031 0.000 1.908 93 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 93 A C 2.282 179.695 177.584 -0.285 0.000 1.181 93 A CA 2.018 53.995 52.037 -0.100 0.000 0.627 93 A CB -0.566 18.357 19.000 -0.128 0.000 0.818 93 A HN 0.230 nan 8.150 nan 0.000 0.445 94 A N -0.488 122.181 122.820 -0.252 0.000 1.902 94 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 94 A C 2.188 179.701 177.584 -0.119 0.000 1.181 94 A CA 1.505 53.442 52.037 -0.166 0.000 0.623 94 A CB -0.563 18.541 19.000 0.174 0.000 0.818 94 A HN 0.501 nan 8.150 nan 0.000 0.443 95 L N -0.739 120.435 121.223 -0.081 0.000 2.017 95 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 95 L C 2.865 179.662 176.870 -0.122 0.000 1.073 95 L CA 1.894 56.686 54.840 -0.081 0.000 0.745 95 L CB -0.733 41.306 42.059 -0.033 0.000 0.894 95 L HN 0.451 nan 8.230 nan 0.000 0.432 96 A N -0.576 122.179 122.820 -0.108 0.000 1.969 96 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 96 A C 2.425 179.912 177.584 -0.160 0.000 1.169 96 A CA 1.435 53.408 52.037 -0.107 0.000 0.635 96 A CB -0.547 18.414 19.000 -0.065 0.000 0.810 96 A HN 0.533 nan 8.150 nan 0.000 0.445 97 A N 0.276 122.966 122.820 -0.217 0.000 1.858 97 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 97 A C 2.206 179.563 177.584 -0.378 0.000 1.190 97 A CA 1.745 53.659 52.037 -0.205 0.000 0.617 97 A CB -0.635 18.240 19.000 -0.207 0.000 0.827 97 A HN 0.716 nan 8.150 nan 0.000 0.443 98 Q N -1.346 118.055 119.800 -0.666 0.000 2.488 98 Q HA -0.066 4.274 4.340 -0.000 0.000 0.211 98 Q C 0.810 176.462 176.000 -0.579 0.000 0.967 98 Q CA 1.028 56.065 55.803 -1.277 0.000 0.926 98 Q CB -0.048 28.011 28.738 -1.133 0.000 0.992 98 Q HN 0.601 nan 8.270 nan 0.000 0.506 99 Q N 0.749 120.365 119.800 -0.307 0.000 2.247 99 Q HA 0.186 4.526 4.340 -0.000 0.000 0.204 99 Q C -0.375 175.561 176.000 -0.106 0.000 0.872 99 Q CA -0.095 55.612 55.803 -0.161 0.000 0.951 99 Q CB 0.620 29.290 28.738 -0.113 0.000 1.099 99 Q HN 0.425 nan 8.270 nan 0.000 0.501 100 R N 0.397 120.832 120.500 -0.108 0.000 3.336 100 R HA -0.167 4.173 4.340 -0.000 0.000 0.260 100 R C -0.642 175.630 176.300 -0.047 0.000 1.032 100 R CA 0.378 56.459 56.100 -0.032 0.000 0.693 100 R CB -2.258 28.042 30.300 -0.000 0.000 1.134 100 R HN 0.190 nan 8.270 nan 0.000 0.433 101 I N 0.656 121.188 120.570 -0.065 0.000 2.378 101 I HA 0.422 4.592 4.170 -0.000 0.000 0.291 101 I C 0.828 176.904 176.117 -0.068 0.000 0.992 101 I CA -0.586 60.673 61.300 -0.068 0.000 1.154 101 I CB 1.759 39.719 38.000 -0.067 0.000 1.315 101 I HN 0.230 nan 8.210 nan 0.000 0.448 102 A N 7.693 130.470 122.820 -0.071 0.000 2.340 102 A HA 0.762 5.082 4.320 -0.000 0.000 0.268 102 A C -0.512 177.038 177.584 -0.057 0.000 1.100 102 A CA -0.273 51.732 52.037 -0.053 0.000 0.803 102 A CB 0.438 19.419 19.000 -0.032 0.000 1.043 102 A HN 0.691 nan 8.150 nan 0.000 0.488 103 L N 1.078 122.283 121.223 -0.031 0.000 2.342 103 L HA 0.467 4.807 4.340 -0.000 0.000 0.271 103 L C 0.205 177.163 176.870 0.146 0.000 1.008 103 L CA -0.665 54.198 54.840 0.038 0.000 0.818 103 L CB 2.160 44.254 42.059 0.058 0.000 1.296 103 L HN 0.638 nan 8.230 nan 0.000 0.427 104 T N 1.621 116.238 114.554 0.104 0.000 2.856 104 T HA 0.426 4.776 4.350 -0.000 0.000 0.292 104 T C -0.544 174.157 174.700 0.001 0.000 0.980 104 T CA -0.180 62.034 62.100 0.190 0.000 1.091 104 T CB 1.754 70.767 68.868 0.242 0.000 0.936 104 T HN 0.287 nan 8.240 nan 0.000 0.503 105 V N 4.990 124.902 119.914 -0.003 0.000 2.876 105 V HA 0.742 4.862 4.120 -0.000 0.000 0.312 105 V C -1.079 174.959 176.094 -0.093 0.000 1.085 105 V CA -0.768 61.318 62.300 -0.356 0.000 0.945 105 V CB 1.641 33.147 31.823 -0.527 0.000 1.017 105 V HN 0.945 nan 8.190 nan 0.000 0.428 106 F N 3.092 122.890 119.950 -0.254 0.000 3.083 106 F HA 0.602 5.129 4.527 -0.000 0.000 0.355 106 F C 0.095 175.840 175.800 -0.091 0.000 1.194 106 F CA -0.712 57.199 58.000 -0.148 0.000 1.027 106 F CB 0.091 39.004 39.000 -0.145 0.000 1.386 106 F HN 0.271 nan 8.300 nan 0.000 0.513 107 R N 0.723 120.980 120.500 -0.405 0.000 2.621 107 R HA 0.411 4.751 4.340 -0.000 0.000 0.284 107 R C 0.818 177.061 176.300 -0.096 0.000 0.998 107 R CA 0.052 56.039 56.100 -0.188 0.000 0.895 107 R CB 2.039 32.204 30.300 -0.224 0.000 1.195 107 R HN 0.165 nan 8.270 nan 0.000 0.450 108 S N 0.482 116.166 115.700 -0.026 0.000 2.428 108 S HA -0.139 4.331 4.470 -0.000 0.000 0.230 108 S C 1.157 175.773 174.600 0.026 0.000 1.014 108 S CA 1.501 59.701 58.200 -0.000 0.000 0.957 108 S CB -0.080 63.124 63.200 0.007 0.000 0.784 108 S HN 0.735 nan 8.310 nan 0.000 0.499 109 D N -0.209 120.209 120.400 0.030 0.000 2.269 109 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 109 D C 1.465 177.794 176.300 0.047 0.000 0.963 109 D CA 0.314 54.334 54.000 0.033 0.000 0.864 109 D CB -0.937 39.879 40.800 0.025 0.000 0.936 109 D HN 0.654 nan 8.370 nan 0.000 0.505 110 W N 1.052 122.265 121.300 -0.145 0.000 2.379 110 W HA 0.073 4.733 4.660 -0.000 0.000 0.307 110 W C 1.962 178.395 176.519 -0.143 0.000 1.200 110 W CA 0.999 58.243 57.345 -0.168 0.000 1.297 110 W CB -0.176 29.108 29.460 -0.293 0.000 1.140 110 W HN -0.096 nan 8.180 nan 0.000 0.507 111 L N 0.448 121.805 121.223 0.222 0.000 2.017 111 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 111 L C 2.407 179.326 176.870 0.082 0.000 1.073 111 L CA 1.863 56.772 54.840 0.115 0.000 0.745 111 L CB -0.826 41.256 42.059 0.038 0.000 0.894 111 L HN 0.030 nan 8.230 nan 0.000 0.432 112 E N -0.297 119.936 120.200 0.056 0.000 2.085 112 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 112 E C 2.094 178.701 176.600 0.011 0.000 0.994 112 E CA 1.502 57.932 56.400 0.050 0.000 0.801 112 E CB -0.020 29.697 29.700 0.029 0.000 0.743 112 E HN 0.438 nan 8.360 nan 0.000 0.453 113 E N 0.004 120.162 120.200 -0.070 0.000 2.047 113 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 113 E C 2.068 178.577 176.600 -0.153 0.000 0.987 113 E CA 0.799 57.121 56.400 -0.130 0.000 0.799 113 E CB -0.053 29.514 29.700 -0.221 0.000 0.752 113 E HN 0.241 nan 8.360 nan 0.000 0.449 114 A N 0.406 123.062 122.820 -0.275 0.000 1.940 114 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 114 A C 2.313 179.998 177.584 0.168 0.000 1.176 114 A CA 1.790 53.703 52.037 -0.206 0.000 0.631 114 A CB -0.513 18.228 19.000 -0.431 0.000 0.814 114 A HN 0.183 nan 8.150 nan 0.000 0.446 115 S N -0.447 115.397 115.700 0.241 0.000 2.382 115 S HA -0.035 4.435 4.470 -0.000 0.000 0.228 115 S C 2.223 176.942 174.600 0.197 0.000 1.027 115 S CA 1.159 59.524 58.200 0.275 0.000 0.991 115 S CB -0.364 63.002 63.200 0.277 0.000 0.823 115 S HN 0.803 nan 8.310 nan 0.000 0.469 116 A N 0.445 123.330 122.820 0.109 0.000 2.014 116 A HA 0.095 4.414 4.320 -0.000 0.000 0.218 116 A C 1.842 179.468 177.584 0.070 0.000 1.163 116 A CA 0.902 52.979 52.037 0.067 0.000 0.652 116 A CB -0.254 18.763 19.000 0.028 0.000 0.808 116 A HN 0.379 nan 8.150 nan 0.000 0.449 117 L N -2.634 118.640 121.223 0.084 0.000 2.307 117 L HA 0.252 4.592 4.340 -0.000 0.000 0.211 117 L C 0.275 177.262 176.870 0.195 0.000 1.099 117 L CA 0.935 55.831 54.840 0.093 0.000 0.816 117 L CB -0.669 41.412 42.059 0.036 0.000 0.952 117 L HN 0.488 nan 8.230 nan 0.000 0.455 118 Y N -0.837 119.517 120.300 0.090 0.000 2.409 118 Y HA 0.455 5.005 4.550 -0.000 0.000 0.343 118 Y C 0.186 176.191 175.900 0.175 0.000 0.973 118 Y CA -1.182 56.990 58.100 0.119 0.000 1.064 118 Y CB 1.679 40.240 38.460 0.168 0.000 1.207 118 Y HN 0.027 nan 8.280 nan 0.000 0.452 119 S N 2.980 118.415 115.700 -0.441 0.000 2.694 119 S HA 0.628 5.098 4.470 -0.000 0.000 0.232 119 S C 0.193 174.415 174.600 -0.631 0.000 1.017 119 S CA -0.256 57.770 58.200 -0.291 0.000 1.139 119 S CB -0.064 63.047 63.200 -0.148 0.000 1.247 119 S HN 1.604 nan 8.310 nan 0.000 0.452 120 G N 3.054 111.024 108.800 -1.383 0.000 2.698 120 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.225 120 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.225 120 G C -2.495 171.940 174.900 -0.776 0.000 1.345 120 G CA -0.216 43.927 45.100 -1.595 0.000 0.871 120 G HN 0.314 nan 8.290 nan 0.000 0.540 121 P HA 0.279 nan 4.420 nan 0.000 0.245 121 P C 0.491 177.687 177.300 -0.173 0.000 1.203 121 P CA 0.285 63.148 63.100 -0.395 0.000 0.792 121 P CB 0.162 31.711 31.700 -0.252 0.000 0.997 122 F N 3.115 123.098 119.950 0.055 0.000 2.443 122 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 122 F C -1.557 174.429 175.800 0.309 0.000 1.101 122 F CA -2.329 55.788 58.000 0.196 0.000 1.226 122 F CB -0.137 38.978 39.000 0.191 0.000 1.140 122 F HN -0.126 nan 8.300 nan 0.000 0.557 123 P HA 0.284 nan 4.420 nan 0.000 0.277 123 P C -0.673 176.735 177.300 0.181 0.000 1.240 123 P CA -0.126 63.180 63.100 0.343 0.000 0.798 123 P CB 1.272 33.074 31.700 0.170 0.000 0.979 124 I N 2.248 122.847 120.570 0.048 0.000 2.406 124 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 124 I C 0.081 175.856 176.117 -0.570 0.000 0.999 124 I CA -0.798 60.342 61.300 -0.266 0.000 1.124 124 I CB 0.997 38.734 38.000 -0.440 0.000 1.289 124 I HN 0.332 nan 8.210 nan 0.000 0.441 125 H N 5.661 124.515 119.070 -0.360 0.000 2.552 125 H HA 0.466 5.022 4.556 -0.000 0.000 0.311 125 H C -0.935 174.191 175.328 -0.336 0.000 1.071 125 H CA 0.008 55.917 56.048 -0.231 0.000 1.307 125 H CB 0.774 30.512 29.762 -0.040 0.000 1.416 125 H HN 0.289 nan 8.280 nan 0.000 0.464 126 F N 1.505 121.533 119.950 0.131 0.000 2.470 126 F HA 0.331 4.858 4.527 -0.000 0.000 0.329 126 F C 0.546 176.432 175.800 0.143 0.000 1.072 126 F CA -0.517 57.541 58.000 0.097 0.000 0.989 126 F CB 1.233 40.210 39.000 -0.038 0.000 1.193 126 F HN 0.500 nan 8.300 nan 0.000 0.481 127 H N 2.962 122.204 119.070 0.286 0.000 2.727 127 H HA 0.315 4.871 4.556 -0.000 0.000 0.330 127 H C -0.734 174.762 175.328 0.280 0.000 0.986 127 H CA -0.783 55.430 56.048 0.275 0.000 1.251 127 H CB 2.281 32.193 29.762 0.250 0.000 1.493 127 H HN 0.482 nan 8.280 nan 0.000 0.515 131 D N 2.464 122.779 120.400 -0.141 0.000 2.347 131 D HA 0.320 4.960 4.640 -0.000 0.000 0.235 131 D C 0.691 176.935 176.300 -0.092 0.000 1.149 131 D CA 0.303 54.227 54.000 -0.126 0.000 0.850 131 D CB 1.259 42.018 40.800 -0.067 0.000 1.061 131 D HN 0.739 nan 8.370 nan 0.000 0.487 132 T N 0.318 114.789 114.554 -0.138 0.000 3.092 132 T HA 0.423 4.773 4.350 -0.000 0.000 0.258 132 T C 1.109 175.786 174.700 -0.039 0.000 1.031 132 T CA 0.104 62.120 62.100 -0.141 0.000 0.925 132 T CB 0.428 69.150 68.868 -0.243 0.000 1.036 132 T HN 0.465 nan 8.240 nan 0.000 0.544 133 G N 1.120 109.963 108.800 0.071 0.000 2.456 133 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.208 133 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.208 133 G C 0.348 175.429 174.900 0.303 0.000 1.004 133 G CA 0.141 45.393 45.100 0.254 0.000 0.791 133 G HN 0.373 nan 8.290 nan 0.000 0.537 134 M N 0.802 120.492 119.600 0.150 0.000 2.486 134 M HA 0.471 4.951 4.480 -0.000 0.000 0.264 134 M C 1.924 178.265 176.300 0.069 0.000 1.125 134 M CA 2.107 57.485 55.300 0.129 0.000 1.144 134 M CB 0.213 32.865 32.600 0.086 0.000 1.353 134 M HN 1.358 nan 8.290 nan 0.000 0.466 135 G N 1.071 109.895 108.800 0.039 0.000 2.153 135 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.252 135 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.252 135 G C 0.885 175.765 174.900 -0.034 0.000 0.994 135 G CA 0.926 46.032 45.100 0.010 0.000 0.698 135 G HN 0.551 nan 8.290 nan 0.000 0.521 136 R N -0.999 119.461 120.500 -0.066 0.000 1.981 136 R HA 0.645 4.985 4.340 -0.000 0.000 0.207 136 R C 0.950 177.125 176.300 -0.209 0.000 1.375 136 R CA 0.385 56.417 56.100 -0.114 0.000 1.068 136 R CB 0.063 30.300 30.300 -0.105 0.000 0.890 136 R HN 0.328 nan 8.270 nan 0.000 0.481 137 L N -0.471 120.568 121.223 -0.306 0.000 2.303 137 L HA 0.615 4.955 4.340 -0.000 0.000 0.266 137 L C -0.499 176.105 176.870 -0.442 0.000 1.011 137 L CA -0.547 53.959 54.840 -0.557 0.000 0.818 137 L CB 2.215 43.810 42.059 -0.773 0.000 1.326 137 L HN 0.754 nan 8.230 nan 0.000 0.435 138 G N 0.307 108.832 108.800 -0.458 0.000 2.375 138 G HA2 0.049 4.009 3.960 -0.000 0.000 0.663 138 G HA3 0.049 4.009 3.960 -0.000 0.000 0.663 138 G C -1.755 173.148 174.900 0.006 0.000 1.391 138 G CA -0.730 44.263 45.100 -0.180 0.000 0.949 138 G HN 0.429 nan 8.290 nan 0.000 0.646 139 V N 0.736 120.688 119.914 0.063 0.000 2.834 139 V HA 0.673 4.793 4.120 -0.000 0.000 0.301 139 V C 1.138 177.306 176.094 0.123 0.000 1.066 139 V CA 0.703 63.073 62.300 0.116 0.000 1.052 139 V CB 1.595 33.496 31.823 0.130 0.000 1.021 139 V HN 0.900 nan 8.190 nan 0.000 0.480 140 K N 1.445 121.942 120.400 0.161 0.000 2.502 140 K HA 0.241 4.561 4.320 -0.000 0.000 0.211 140 K C -0.461 176.327 176.600 0.313 0.000 1.259 140 K CA 0.241 56.647 56.287 0.197 0.000 0.983 140 K CB 0.559 33.134 32.500 0.124 0.000 1.054 140 K HN 0.963 nan 8.250 nan 0.000 0.572 141 D N -1.532 119.000 120.400 0.220 0.000 2.477 141 D HA 0.121 4.761 4.640 -0.000 0.000 0.234 141 D C 0.414 176.519 176.300 -0.324 0.000 1.048 141 D CA -0.788 53.207 54.000 -0.009 0.000 0.959 141 D CB 1.467 42.231 40.800 -0.060 0.000 1.408 141 D HN -0.167 nan 8.370 nan 0.000 0.496 142 E N -0.152 119.438 120.200 -1.016 0.000 2.033 142 E HA -0.268 4.082 4.350 -0.000 0.000 0.199 142 E C 1.331 177.683 176.600 -0.413 0.000 1.011 142 E CA 1.448 57.186 56.400 -1.103 0.000 0.815 142 E CB 0.087 29.096 29.700 -1.152 0.000 0.755 142 E HN 0.545 nan 8.360 nan 0.000 0.451 143 E N 0.013 120.040 120.200 -0.288 0.000 2.209 143 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 143 E C 1.991 178.543 176.600 -0.080 0.000 0.993 143 E CA 0.648 56.958 56.400 -0.150 0.000 0.819 143 E CB 0.030 29.660 29.700 -0.116 0.000 0.745 143 E HN 0.268 nan 8.360 nan 0.000 0.477 144 E N 0.088 120.251 120.200 -0.061 0.000 2.076 144 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 144 E C 2.139 178.754 176.600 0.025 0.000 0.979 144 E CA 0.835 57.233 56.400 -0.003 0.000 0.807 144 E CB -0.092 29.625 29.700 0.027 0.000 0.761 144 E HN 0.147 nan 8.360 nan 0.000 0.454 145 T N 1.725 116.316 114.554 0.062 0.000 2.674 145 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 145 T C 1.848 176.589 174.700 0.068 0.000 1.039 145 T CA 1.192 63.365 62.100 0.122 0.000 1.150 145 T CB -0.049 69.004 68.868 0.308 0.000 0.864 145 T HN 0.107 nan 8.240 nan 0.000 0.427 146 K N 0.607 121.023 120.400 0.027 0.000 2.063 146 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 146 K C 2.546 179.153 176.600 0.012 0.000 1.048 146 K CA 1.211 57.504 56.287 0.011 0.000 0.928 146 K CB -0.180 32.299 32.500 -0.035 0.000 0.713 146 K HN 0.064 nan 8.250 nan 0.000 0.442 147 R N 1.584 122.086 120.500 0.003 0.000 2.075 147 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 147 R C 2.043 178.354 176.300 0.020 0.000 1.126 147 R CA 1.167 57.272 56.100 0.009 0.000 0.963 147 R CB -0.568 29.733 30.300 0.001 0.000 0.858 147 R HN 0.140 nan 8.270 nan 0.000 0.435 148 I N -0.260 120.319 120.570 0.013 0.000 2.179 148 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 148 I C 2.043 178.169 176.117 0.014 0.000 1.088 148 I CA 1.307 62.605 61.300 -0.004 0.000 1.357 148 I CB -0.219 37.767 38.000 -0.022 0.000 1.051 148 I HN 0.002 nan 8.210 nan 0.000 0.409 149 V N 0.966 120.899 119.914 0.032 0.000 2.332 149 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 149 V C 2.679 178.812 176.094 0.065 0.000 1.055 149 V CA 2.061 64.391 62.300 0.051 0.000 1.038 149 V CB -1.153 30.701 31.823 0.052 0.000 0.651 149 V HN 0.527 nan 8.190 nan 0.000 0.450 150 A N -0.442 122.410 122.820 0.054 0.000 1.908 150 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 150 A C 2.227 179.862 177.584 0.084 0.000 1.181 150 A CA 1.931 54.002 52.037 0.057 0.000 0.627 150 A CB -0.551 18.472 19.000 0.038 0.000 0.818 150 A HN 0.503 nan 8.150 nan 0.000 0.445 151 L N -0.728 120.551 121.223 0.095 0.000 2.093 151 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 151 L C 2.434 179.456 176.870 0.253 0.000 1.085 151 L CA 0.915 55.844 54.840 0.149 0.000 0.755 151 L CB -0.306 41.832 42.059 0.132 0.000 0.904 151 L HN 0.397 nan 8.230 nan 0.000 0.435 152 I N -0.551 120.150 120.570 0.219 0.000 2.163 152 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 152 I C 2.431 178.723 176.117 0.292 0.000 1.081 152 I CA 1.175 62.668 61.300 0.322 0.000 1.353 152 I CB -0.086 38.028 38.000 0.190 0.000 1.054 152 I HN 0.198 nan 8.210 nan 0.000 0.407 153 E N 0.836 121.142 120.200 0.176 0.000 2.160 153 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 153 E C 2.126 178.788 176.600 0.104 0.000 0.991 153 E CA 1.088 57.563 56.400 0.126 0.000 0.810 153 E CB -0.066 29.684 29.700 0.083 0.000 0.742 153 E HN 0.385 nan 8.360 nan 0.000 0.466 154 R N -0.789 119.775 120.500 0.107 0.000 2.276 154 R HA -0.011 4.329 4.340 -0.000 0.000 0.203 154 R C 0.214 176.528 176.300 0.024 0.000 1.017 154 R CA 0.470 56.604 56.100 0.056 0.000 1.010 154 R CB -0.198 30.131 30.300 0.049 0.000 0.900 154 R HN 0.144 nan 8.270 nan 0.000 0.469 155 H N 1.633 120.692 119.070 -0.017 0.000 2.517 155 H HA 0.231 4.786 4.556 -0.000 0.000 0.317 155 H C -1.605 173.641 175.328 -0.136 0.000 1.080 155 H CA -2.196 53.744 56.048 -0.180 0.000 1.301 155 H CB 1.799 31.215 29.762 -0.576 0.000 1.425 155 H HN -0.096 nan 8.280 nan 0.000 0.471 156 P HA -0.153 nan 4.420 nan 0.000 0.221 156 P C 0.033 177.178 177.300 -0.257 0.000 1.145 156 P CA 1.454 64.398 63.100 -0.259 0.000 0.795 156 P CB 0.309 31.763 31.700 -0.411 0.000 0.775 157 H N -2.804 116.463 119.070 0.329 0.000 2.592 157 H HA 0.265 4.821 4.556 -0.000 0.000 0.279 157 H C -0.218 175.427 175.328 0.528 0.000 1.089 157 H CA -0.363 55.907 56.048 0.370 0.000 1.150 157 H CB -0.070 29.944 29.762 0.421 0.000 1.575 157 H HN -0.023 nan 8.280 nan 0.000 0.547 158 F N 1.513 121.678 119.950 0.358 0.000 2.427 158 F HA 0.433 4.960 4.527 -0.000 0.000 0.346 158 F C -0.042 175.880 175.800 0.203 0.000 1.120 158 F CA -1.596 56.597 58.000 0.320 0.000 1.033 158 F CB 1.186 40.420 39.000 0.390 0.000 1.126 158 F HN -0.259 nan 8.300 nan 0.000 0.462 159 V N 5.108 125.185 119.914 0.272 0.000 2.588 159 V HA 0.319 4.439 4.120 -0.000 0.000 0.304 159 V C -0.653 175.552 176.094 0.184 0.000 1.042 159 V CA -0.879 61.493 62.300 0.120 0.000 0.877 159 V CB 2.330 34.063 31.823 -0.149 0.000 0.996 159 V HN 0.460 nan 8.190 nan 0.000 0.425 160 L N 3.975 125.306 121.223 0.180 0.000 2.334 160 L HA 0.378 4.718 4.340 -0.000 0.000 0.286 160 L C 1.229 178.148 176.870 0.081 0.000 1.108 160 L CA 0.666 55.597 54.840 0.152 0.000 0.875 160 L CB 0.338 42.465 42.059 0.114 0.000 1.246 160 L HN 0.862 nan 8.230 nan 0.000 0.439 161 E N 2.822 123.051 120.200 0.048 0.000 2.230 161 E HA 0.188 4.538 4.350 -0.000 0.000 0.192 161 E C 0.562 177.020 176.600 -0.237 0.000 0.987 161 E CA 0.661 57.045 56.400 -0.026 0.000 0.841 161 E CB 0.343 30.087 29.700 0.074 0.000 0.783 161 E HN 0.776 nan 8.360 nan 0.000 0.481 162 G N 0.191 108.731 108.800 -0.433 0.000 2.606 162 G HA2 0.497 4.457 3.960 -0.000 0.000 0.300 162 G HA3 0.497 4.457 3.960 -0.000 0.000 0.300 162 G C -1.759 173.086 174.900 -0.091 0.000 1.360 162 G CA -0.484 44.428 45.100 -0.314 0.000 0.783 162 G HN 0.247 nan 8.290 nan 0.000 0.484 163 L N -1.147 120.128 121.223 0.087 0.000 2.545 163 L HA 0.901 5.241 4.340 -0.000 0.000 0.258 163 L C -1.476 175.475 176.870 0.136 0.000 0.942 163 L CA -1.093 53.836 54.840 0.147 0.000 0.855 163 L CB 2.150 44.245 42.059 0.059 0.000 1.374 163 L HN 1.236 nan 8.230 nan 0.000 0.411 164 Y N -0.090 120.067 120.300 -0.237 0.000 2.744 164 Y HA 0.920 5.470 4.550 -0.000 0.000 0.330 164 Y C -1.053 174.529 175.900 -0.531 0.000 1.263 164 Y CA -0.810 56.985 58.100 -0.509 0.000 1.065 164 Y CB 1.393 39.203 38.460 -1.083 0.000 1.306 164 Y HN 0.785 nan 8.280 nan 0.000 0.459 165 T N -0.349 113.690 114.554 -0.857 0.000 2.841 165 T HA 0.481 4.831 4.350 -0.000 0.000 0.296 165 T C -2.384 171.918 174.700 -0.663 0.000 1.166 165 T CA -0.455 61.097 62.100 -0.913 0.000 1.007 165 T CB 1.242 69.359 68.868 -1.252 0.000 1.253 165 T HN 0.940 nan 8.240 nan 0.000 0.511 166 H N 0.513 119.188 119.070 -0.658 0.000 2.600 166 H HA 0.644 5.200 4.556 -0.000 0.000 0.357 166 H C -1.383 173.703 175.328 -0.404 0.000 1.106 166 H CA -0.759 55.014 56.048 -0.458 0.000 1.193 166 H CB 0.559 30.203 29.762 -0.197 0.000 1.594 166 H HN 0.355 nan 8.280 nan 0.000 0.526 167 F N 2.549 122.268 119.950 -0.385 0.000 2.394 167 F HA 0.410 4.937 4.527 -0.000 0.000 0.340 167 F C 1.317 177.037 175.800 -0.134 0.000 1.105 167 F CA -0.099 57.818 58.000 -0.139 0.000 1.124 167 F CB 1.413 40.469 39.000 0.093 0.000 1.145 167 F HN 0.750 nan 8.300 nan 0.000 0.505 168 A N 1.311 124.307 122.820 0.293 0.000 2.030 168 A HA 0.041 4.361 4.320 -0.000 0.000 0.215 168 A C 1.317 179.022 177.584 0.201 0.000 1.164 168 A CA 1.336 53.503 52.037 0.217 0.000 0.697 168 A CB -0.574 18.582 19.000 0.260 0.000 0.827 168 A HN 0.738 nan 8.150 nan 0.000 0.457 169 T N -4.595 110.143 114.554 0.306 0.000 3.533 169 T HA 0.574 4.924 4.350 -0.000 0.000 0.275 169 T C 0.842 175.654 174.700 0.188 0.000 1.000 169 T CA 0.490 62.722 62.100 0.221 0.000 1.015 169 T CB 0.329 69.336 68.868 0.231 0.000 1.153 169 T HN 0.365 nan 8.240 nan 0.000 0.504 170 A N 1.967 124.897 122.820 0.183 0.000 2.119 170 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 170 A C 1.942 179.502 177.584 -0.040 0.000 1.153 170 A CA 1.173 53.227 52.037 0.029 0.000 0.692 170 A CB -0.313 18.779 19.000 0.154 0.000 0.799 170 A HN 0.722 nan 8.150 nan 0.000 0.458 171 D N -0.503 119.914 120.400 0.028 0.000 2.349 171 D HA 0.058 4.698 4.640 -0.000 0.000 0.214 171 D C 0.240 176.539 176.300 -0.001 0.000 1.063 171 D CA -0.020 53.987 54.000 0.012 0.000 0.847 171 D CB -0.282 40.555 40.800 0.062 0.000 0.933 171 D HN 0.450 nan 8.370 nan 0.000 0.513 172 E N 0.216 120.420 120.200 0.007 0.000 2.259 172 E HA 0.175 4.525 4.350 -0.000 0.000 0.281 172 E C 1.108 177.705 176.600 -0.005 0.000 1.027 172 E CA -0.446 55.960 56.400 0.011 0.000 0.838 172 E CB 2.161 31.882 29.700 0.036 0.000 1.066 172 E HN -0.218 nan 8.360 nan 0.000 0.401 173 V N 3.469 123.379 119.914 -0.007 0.000 2.380 173 V HA -0.253 3.867 4.120 -0.000 0.000 0.251 173 V C 1.195 177.295 176.094 0.010 0.000 1.063 173 V CA 1.387 63.680 62.300 -0.011 0.000 1.055 173 V CB -0.630 31.187 31.823 -0.009 0.000 0.657 173 V HN 0.716 nan 8.190 nan 0.000 0.455 174 N N 1.254 119.969 118.700 0.025 0.000 2.470 174 N HA -0.020 4.720 4.740 -0.000 0.000 0.268 174 N C 0.818 176.371 175.510 0.071 0.000 1.136 174 N CA 0.772 53.849 53.050 0.045 0.000 0.961 174 N CB 1.389 39.904 38.487 0.046 0.000 1.067 174 N HN 0.451 nan 8.380 nan 0.000 0.468 175 T N -0.098 114.506 114.554 0.083 0.000 3.145 175 T HA 0.139 4.489 4.350 -0.000 0.000 0.255 175 T C 0.542 175.344 174.700 0.170 0.000 1.039 175 T CA -0.188 61.985 62.100 0.122 0.000 0.928 175 T CB 0.075 68.997 68.868 0.090 0.000 1.029 175 T HN 0.363 nan 8.240 nan 0.000 0.554 176 D N 0.791 121.280 120.400 0.149 0.000 2.097 176 D HA -0.065 4.575 4.640 -0.000 0.000 0.195 176 D C 1.299 177.729 176.300 0.216 0.000 0.989 176 D CA 1.150 55.240 54.000 0.151 0.000 0.827 176 D CB -0.253 40.619 40.800 0.120 0.000 0.966 176 D HN 0.431 nan 8.370 nan 0.000 0.456 177 Y N -0.319 120.061 120.300 0.134 0.000 2.314 177 Y HA -0.081 4.469 4.550 -0.000 0.000 0.293 177 Y C 1.869 177.907 175.900 0.230 0.000 1.129 177 Y CA 0.688 58.894 58.100 0.177 0.000 1.201 177 Y CB -0.312 38.231 38.460 0.137 0.000 0.999 177 Y HN -0.032 nan 8.280 nan 0.000 0.541 178 F N 0.256 120.254 119.950 0.081 0.000 2.046 178 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 178 F C 2.443 178.147 175.800 -0.159 0.000 1.123 178 F CA 2.221 60.151 58.000 -0.117 0.000 1.199 178 F CB -0.893 37.996 39.000 -0.185 0.000 0.972 178 F HN -0.078 nan 8.300 nan 0.000 0.474 179 S N -0.403 115.239 115.700 -0.097 0.000 2.374 179 S HA -0.302 4.168 4.470 -0.000 0.000 0.227 179 S C 1.788 176.314 174.600 -0.123 0.000 1.037 179 S CA 1.592 59.692 58.200 -0.166 0.000 1.024 179 S CB -1.118 62.069 63.200 -0.022 0.000 0.861 179 S HN 0.688 nan 8.310 nan 0.000 0.456 180 Y N 2.232 122.428 120.300 -0.173 0.000 2.165 180 Y HA -0.195 4.355 4.550 -0.000 0.000 0.286 180 Y C 2.361 178.130 175.900 -0.217 0.000 1.155 180 Y CA 1.691 59.674 58.100 -0.194 0.000 1.164 180 Y CB -0.578 37.724 38.460 -0.264 0.000 0.978 180 Y HN 0.254 nan 8.280 nan 0.000 0.513 181 Q N -1.274 118.245 119.800 -0.468 0.000 2.046 181 Q HA -0.244 4.096 4.340 -0.000 0.000 0.200 181 Q C 2.119 178.018 176.000 -0.168 0.000 0.975 181 Q CA 1.901 57.485 55.803 -0.366 0.000 0.836 181 Q CB -0.639 28.106 28.738 0.011 0.000 0.896 181 Q HN 0.648 nan 8.270 nan 0.000 0.428 182 Y N 1.531 121.654 120.300 -0.294 0.000 2.097 182 Y HA -0.273 4.276 4.550 -0.000 0.000 0.282 182 Y C 2.446 178.289 175.900 -0.094 0.000 1.152 182 Y CA 2.012 60.011 58.100 -0.169 0.000 1.136 182 Y CB -0.392 37.772 38.460 -0.493 0.000 0.975 182 Y HN 0.019 nan 8.280 nan 0.000 0.498 183 T N 0.759 115.272 114.554 -0.067 0.000 2.788 183 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 183 T C 2.035 176.611 174.700 -0.207 0.000 1.044 183 T CA 1.191 63.228 62.100 -0.105 0.000 1.139 183 T CB -0.183 68.638 68.868 -0.079 0.000 0.867 183 T HN 0.219 nan 8.240 nan 0.000 0.454 184 R N -0.032 120.252 120.500 -0.359 0.000 2.075 184 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 184 R C 2.170 178.339 176.300 -0.219 0.000 1.126 184 R CA 0.969 56.844 56.100 -0.376 0.000 0.963 184 R CB -0.722 29.211 30.300 -0.612 0.000 0.858 184 R HN 0.372 nan 8.270 nan 0.000 0.435 185 F N 1.653 121.369 119.950 -0.391 0.000 2.102 185 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 185 F C 2.113 177.675 175.800 -0.396 0.000 1.105 185 F CA 1.258 59.011 58.000 -0.412 0.000 1.239 185 F CB -0.655 38.087 39.000 -0.430 0.000 0.991 185 F HN -0.078 nan 8.300 nan 0.000 0.474 186 L N -0.760 120.237 121.223 -0.377 0.000 2.127 186 L HA -0.267 4.073 4.340 -0.000 0.000 0.211 186 L C 2.502 179.179 176.870 -0.322 0.000 1.089 186 L CA 1.848 56.461 54.840 -0.378 0.000 0.757 186 L CB -1.014 40.914 42.059 -0.217 0.000 0.899 186 L HN 0.263 nan 8.230 nan 0.000 0.434 187 H N 0.143 118.998 119.070 -0.358 0.000 2.363 187 H HA -0.100 4.456 4.556 -0.000 0.000 0.301 187 H C 2.317 177.270 175.328 -0.624 0.000 1.074 187 H CA 1.539 57.384 56.048 -0.338 0.000 1.354 187 H CB 0.092 29.716 29.762 -0.230 0.000 1.397 187 H HN 0.150 nan 8.280 nan 0.000 0.516 188 M N -0.126 119.010 119.600 -0.774 0.000 2.319 188 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 188 M C 1.972 177.669 176.300 -1.005 0.000 1.068 188 M CA 0.902 55.322 55.300 -1.466 0.000 1.118 188 M CB 0.043 31.979 32.600 -1.108 0.000 1.395 188 M HN 0.269 nan 8.290 nan 0.000 0.435 189 L N 0.317 121.100 121.223 -0.734 0.000 2.265 189 L HA -0.156 4.184 4.340 -0.000 0.000 0.215 189 L C 2.066 178.725 176.870 -0.352 0.000 1.117 189 L CA 0.828 55.334 54.840 -0.557 0.000 0.782 189 L CB -0.557 41.112 42.059 -0.651 0.000 0.914 189 L HN 0.353 nan 8.230 nan 0.000 0.441 190 E N -0.847 119.125 120.200 -0.380 0.000 2.511 190 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 190 E C 1.448 178.071 176.600 0.038 0.000 1.066 190 E CA 0.437 56.729 56.400 -0.181 0.000 0.871 190 E CB 0.041 29.617 29.700 -0.206 0.000 0.863 190 E HN 0.583 nan 8.360 nan 0.000 0.520 191 W N 0.824 122.035 121.300 -0.149 0.000 3.047 191 W HA 0.178 4.838 4.660 -0.000 0.000 0.250 191 W C 0.681 177.155 176.519 -0.074 0.000 1.314 191 W CA -0.197 57.087 57.345 -0.102 0.000 1.540 191 W CB -0.330 29.081 29.460 -0.081 0.000 1.127 191 W HN -0.092 nan 8.180 nan 0.000 0.679 192 L N 2.512 123.798 121.223 0.105 0.000 2.312 192 L HA 0.209 4.549 4.340 -0.000 0.000 0.281 192 L C -0.582 176.306 176.870 0.029 0.000 1.070 192 L CA -1.728 53.143 54.840 0.051 0.000 0.805 192 L CB 0.855 42.914 42.059 0.000 0.000 1.174 192 L HN -0.359 nan 8.230 nan 0.000 0.434 193 P HA -0.072 nan 4.420 nan 0.000 0.222 193 P C -0.246 177.062 177.300 0.013 0.000 1.147 193 P CA 0.776 63.889 63.100 0.021 0.000 0.790 193 P CB 0.214 31.929 31.700 0.025 0.000 0.780 194 S N -2.318 113.388 115.700 0.011 0.000 2.542 194 S HA 0.368 4.838 4.470 -0.000 0.000 0.276 194 S C -0.776 173.824 174.600 0.001 0.000 1.148 194 S CA -1.152 57.052 58.200 0.007 0.000 0.886 194 S CB 1.635 64.845 63.200 0.017 0.000 1.109 194 S HN -0.074 nan 8.310 nan 0.000 0.458 195 R N 2.069 122.566 120.500 -0.005 0.000 2.404 195 R HA 0.320 4.660 4.340 -0.000 0.000 0.315 195 R C -2.226 174.080 176.300 0.010 0.000 1.032 195 R CA -1.003 55.090 56.100 -0.010 0.000 0.992 195 R CB -0.182 30.117 30.300 -0.001 0.000 0.959 195 R HN 0.449 nan 8.270 nan 0.000 0.428 196 P HA 0.068 nan 4.420 nan 0.000 0.272 196 P C -2.099 175.218 177.300 0.028 0.000 1.240 196 P CA -1.269 61.841 63.100 0.017 0.000 0.791 196 P CB 0.292 31.993 31.700 0.001 0.000 0.978 197 P HA -0.077 nan 4.420 nan 0.000 0.219 197 P C 0.011 177.342 177.300 0.051 0.000 1.146 197 P CA 1.477 64.602 63.100 0.042 0.000 0.808 197 P CB 0.291 32.011 31.700 0.034 0.000 0.779 198 L N -0.226 121.020 121.223 0.038 0.000 2.372 198 L HA 0.372 4.712 4.340 -0.000 0.000 0.274 198 L C -0.699 176.294 176.870 0.204 0.000 0.988 198 L CA -0.856 54.040 54.840 0.094 0.000 0.833 198 L CB 2.768 44.847 42.059 0.034 0.000 1.236 198 L HN -0.390 nan 8.230 nan 0.000 0.410 199 V N 2.685 122.744 119.914 0.243 0.000 2.409 199 V HA 0.484 4.604 4.120 -0.000 0.000 0.291 199 V C -0.670 175.616 176.094 0.320 0.000 1.020 199 V CA -0.576 61.837 62.300 0.189 0.000 0.848 199 V CB 1.447 33.254 31.823 -0.027 0.000 0.990 199 V HN 0.855 nan 8.190 nan 0.000 0.430 200 H N 1.502 120.644 119.070 0.119 0.000 2.895 200 H HA 0.723 5.278 4.556 -0.000 0.000 0.373 200 H C 0.300 175.675 175.328 0.078 0.000 1.174 200 H CA -0.473 55.665 56.048 0.151 0.000 1.144 200 H CB 1.789 31.627 29.762 0.127 0.000 1.793 200 H HN 0.625 nan 8.280 nan 0.000 0.551 201 C N -0.379 119.036 119.300 0.191 0.000 4.717 201 C HA 0.748 5.208 4.460 -0.000 0.000 0.495 201 C C 0.877 175.965 174.990 0.163 0.000 1.530 201 C CA 0.249 59.218 59.018 -0.083 0.000 2.309 201 C CB -0.501 27.102 27.740 -0.227 0.000 3.351 201 C HN 1.003 nan 8.230 nan 0.000 0.587 202 A N 3.409 126.487 122.820 0.429 0.000 2.363 202 A HA 0.646 4.966 4.320 -0.000 0.000 0.270 202 A C 0.230 178.065 177.584 0.418 0.000 1.121 202 A CA 0.122 52.465 52.037 0.509 0.000 0.800 202 A CB 0.320 19.618 19.000 0.497 0.000 1.052 202 A HN 0.801 nan 8.150 nan 0.000 0.493 203 N N 1.194 120.150 118.700 0.426 0.000 2.681 203 N HA 0.277 5.017 4.740 -0.000 0.000 0.311 203 N C 0.868 176.594 175.510 0.359 0.000 1.303 203 N CA -0.102 53.182 53.050 0.391 0.000 0.926 203 N CB -0.345 38.384 38.487 0.403 0.000 1.136 203 N HN 0.276 nan 8.380 nan 0.000 0.592 204 S N -0.562 115.324 115.700 0.311 0.000 2.359 204 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 204 S C 1.879 176.612 174.600 0.220 0.000 1.035 204 S CA 1.677 60.043 58.200 0.277 0.000 1.018 204 S CB -0.905 62.329 63.200 0.057 0.000 0.876 204 S HN 0.729 nan 8.310 nan 0.000 0.448 205 A N 1.547 124.468 122.820 0.169 0.000 1.877 205 A HA 0.085 4.404 4.320 -0.000 0.000 0.216 205 A C 2.381 179.986 177.584 0.034 0.000 1.186 205 A CA 1.833 53.914 52.037 0.074 0.000 0.620 205 A CB -1.184 17.858 19.000 0.071 0.000 0.822 205 A HN 0.535 nan 8.150 nan 0.000 0.443 206 A N 0.178 123.095 122.820 0.162 0.000 1.930 206 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 206 A C 2.479 180.201 177.584 0.231 0.000 1.175 206 A CA 2.273 54.452 52.037 0.237 0.000 0.627 206 A CB -0.892 18.426 19.000 0.530 0.000 0.815 206 A HN 0.933 nan 8.150 nan 0.000 0.443 207 S N -0.222 115.619 115.700 0.235 0.000 2.406 207 S HA 0.030 4.500 4.470 -0.000 0.000 0.228 207 S C 1.676 176.318 174.600 0.071 0.000 1.020 207 S CA 1.231 59.542 58.200 0.185 0.000 0.965 207 S CB -0.487 62.833 63.200 0.200 0.000 0.798 207 S HN 0.421 nan 8.310 nan 0.000 0.488 208 L N 0.006 121.247 121.223 0.030 0.000 2.446 208 L HA 0.238 4.578 4.340 -0.000 0.000 0.219 208 L C 2.962 179.720 176.870 -0.186 0.000 1.116 208 L CA 0.329 55.134 54.840 -0.059 0.000 0.844 208 L CB -0.141 41.880 42.059 -0.065 0.000 0.970 208 L HN 0.240 nan 8.230 nan 0.000 0.457 209 R N -0.306 120.006 120.500 -0.313 0.000 2.103 209 R HA 0.116 4.456 4.340 -0.000 0.000 0.212 209 R C -0.037 175.735 176.300 -0.880 0.000 1.107 209 R CA 0.719 56.389 56.100 -0.718 0.000 1.025 209 R CB 0.312 29.965 30.300 -1.079 0.000 0.929 209 R HN 0.122 nan 8.270 nan 0.000 0.456 210 F N 0.874 120.796 119.950 -0.047 0.000 2.449 210 F HA 0.358 4.885 4.527 -0.000 0.000 0.329 210 F C -1.878 173.945 175.800 0.039 0.000 1.245 210 F CA -2.564 55.426 58.000 -0.016 0.000 1.193 210 F CB 1.318 40.308 39.000 -0.016 0.000 1.425 210 F HN -0.100 nan 8.300 nan 0.000 0.544 211 P HA -0.115 nan 4.420 nan 0.000 0.220 211 P C 0.583 177.943 177.300 0.100 0.000 1.148 211 P CA 1.333 64.492 63.100 0.098 0.000 0.803 211 P CB 0.131 31.855 31.700 0.041 0.000 0.782 212 D N -0.173 120.281 120.400 0.091 0.000 2.277 212 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 212 D C 1.003 177.319 176.300 0.027 0.000 0.962 212 D CA 0.471 54.501 54.000 0.050 0.000 0.865 212 D CB -0.560 40.260 40.800 0.033 0.000 0.939 212 D HN 0.256 nan 8.370 nan 0.000 0.510 213 R N 1.060 121.604 120.500 0.073 0.000 3.335 213 R HA 0.241 4.581 4.340 -0.000 0.000 0.337 213 R C -0.011 176.419 176.300 0.217 0.000 1.283 213 R CA -0.013 56.106 56.100 0.032 0.000 1.246 213 R CB -0.463 29.806 30.300 -0.052 0.000 1.464 213 R HN 0.142 nan 8.270 nan 0.000 0.607 214 T N -3.166 111.515 114.554 0.211 0.000 3.085 214 T HA 0.232 4.582 4.350 -0.000 0.000 0.264 214 T C 0.414 175.444 174.700 0.551 0.000 1.019 214 T CA -0.381 61.980 62.100 0.436 0.000 0.910 214 T CB -0.477 68.587 68.868 0.327 0.000 1.059 214 T HN 0.272 nan 8.240 nan 0.000 0.542 215 F N 2.431 122.528 119.950 0.246 0.000 2.183 215 F HA -0.325 4.202 4.527 -0.000 0.000 0.318 215 F C 1.210 177.114 175.800 0.172 0.000 0.287 215 F CA 1.683 59.805 58.000 0.203 0.000 0.912 215 F CB -1.405 37.737 39.000 0.237 0.000 4.135 215 F HN 0.441 nan 8.300 nan 0.000 0.137 216 N N 0.556 119.505 118.700 0.415 0.000 2.203 216 N HA 0.387 5.127 4.740 -0.000 0.000 0.207 216 N C -0.367 175.313 175.510 0.283 0.000 1.130 216 N CA 0.500 53.723 53.050 0.287 0.000 0.861 216 N CB 1.015 39.659 38.487 0.261 0.000 1.005 216 N HN 0.630 nan 8.380 nan 0.000 0.507 217 M N 0.270 120.039 119.600 0.280 0.000 2.325 217 M HA 0.394 4.874 4.480 -0.000 0.000 0.285 217 M C -2.144 174.286 176.300 0.217 0.000 1.119 217 M CA -0.682 54.731 55.300 0.189 0.000 0.959 217 M CB 2.174 34.779 32.600 0.008 0.000 1.737 217 M HN -0.206 nan 8.290 nan 0.000 0.486 218 V N 4.396 124.407 119.914 0.161 0.000 2.513 218 V HA 0.589 4.709 4.120 -0.000 0.000 0.299 218 V C -0.483 175.715 176.094 0.173 0.000 1.035 218 V CA -0.645 61.770 62.300 0.193 0.000 0.889 218 V CB 2.151 34.055 31.823 0.135 0.000 0.988 218 V HN 0.789 nan 8.190 nan 0.000 0.440 219 R N 4.186 124.829 120.500 0.239 0.000 2.369 219 R HA 0.327 4.667 4.340 -0.000 0.000 0.310 219 R C -1.053 175.430 176.300 0.305 0.000 1.141 219 R CA -0.397 55.834 56.100 0.219 0.000 1.116 219 R CB 0.563 30.993 30.300 0.216 0.000 1.135 219 R HN 0.501 nan 8.270 nan 0.000 0.529 220 F N 2.176 122.162 119.950 0.060 0.000 2.438 220 F HA 0.302 4.829 4.527 -0.000 0.000 0.360 220 F C 0.802 176.590 175.800 -0.021 0.000 1.118 220 F CA -0.166 57.847 58.000 0.023 0.000 1.164 220 F CB 0.798 39.781 39.000 -0.029 0.000 1.131 220 F HN 0.514 nan 8.300 nan 0.000 0.527 221 G N 4.862 113.536 108.800 -0.210 0.000 2.694 221 G HA2 0.008 3.968 3.960 -0.000 0.000 0.212 221 G HA3 0.008 3.968 3.960 -0.000 0.000 0.212 221 G C 1.079 175.693 174.900 -0.478 0.000 2.030 221 G CA 0.113 45.067 45.100 -0.243 0.000 0.731 221 G HN 0.539 nan 8.290 nan 0.000 0.795 222 I N 1.955 122.423 120.570 -0.170 0.000 2.229 222 I HA -0.225 3.945 4.170 -0.000 0.000 0.250 222 I C 2.835 178.768 176.117 -0.307 0.000 1.096 222 I CA 2.073 63.258 61.300 -0.192 0.000 1.358 222 I CB -0.110 37.649 38.000 -0.401 0.000 1.047 222 I HN 0.258 nan 8.210 nan 0.000 0.422 223 A N -0.441 122.078 122.820 -0.501 0.000 2.066 223 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 223 A C 2.383 179.618 177.584 -0.582 0.000 1.157 223 A CA 1.509 53.261 52.037 -0.475 0.000 0.670 223 A CB -0.771 18.019 19.000 -0.351 0.000 0.804 223 A HN 0.623 nan 8.150 nan 0.000 0.453 224 M N -1.457 117.516 119.600 -1.045 0.000 2.213 224 M HA -0.144 4.335 4.480 -0.000 0.000 0.263 224 M C 1.122 177.016 176.300 -0.678 0.000 1.062 224 M CA 1.695 56.514 55.300 -0.801 0.000 1.105 224 M CB -0.203 31.797 32.600 -1.001 0.000 1.385 224 M HN 0.453 nan 8.290 nan 0.000 0.417 225 Y N 0.081 120.142 120.300 -0.398 0.000 2.529 225 Y HA 0.318 4.868 4.550 -0.000 0.000 0.290 225 Y C 1.663 177.476 175.900 -0.145 0.000 1.177 225 Y CA 0.537 58.426 58.100 -0.351 0.000 1.305 225 Y CB -0.286 37.865 38.460 -0.516 0.000 1.047 225 Y HN 0.506 nan 8.280 nan 0.000 0.522 226 G N 0.258 109.030 108.800 -0.047 0.000 2.141 226 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.231 226 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.231 226 G C -0.255 174.648 174.900 0.006 0.000 0.984 226 G CA -0.142 44.965 45.100 0.011 0.000 0.660 226 G HN 0.245 nan 8.290 nan 0.000 0.525 227 L N 0.755 121.959 121.223 -0.031 0.000 2.307 227 L HA 0.769 5.109 4.340 -0.000 0.000 0.284 227 L C 0.930 177.746 176.870 -0.089 0.000 1.023 227 L CA -0.643 54.167 54.840 -0.050 0.000 0.810 227 L CB 1.831 43.847 42.059 -0.073 0.000 1.231 227 L HN 0.270 nan 8.230 nan 0.000 0.423 228 A N 4.502 127.289 122.820 -0.056 0.000 2.450 228 A HA 0.362 4.682 4.320 -0.000 0.000 0.255 228 A C -1.563 176.006 177.584 -0.025 0.000 1.096 228 A CA -1.075 50.934 52.037 -0.046 0.000 0.778 228 A CB 0.028 19.012 19.000 -0.027 0.000 1.031 228 A HN 0.619 nan 8.150 nan 0.000 0.494 229 P HA -0.087 nan 4.420 nan 0.000 0.217 229 P C 0.337 177.737 177.300 0.167 0.000 1.148 229 P CA 1.958 65.133 63.100 0.124 0.000 0.828 229 P CB 0.045 31.822 31.700 0.128 0.000 0.783 230 S N -5.429 110.318 115.700 0.078 0.000 2.565 230 S HA 0.405 4.875 4.470 -0.000 0.000 0.274 230 S C -2.805 171.810 174.600 0.025 0.000 1.144 230 S CA -1.189 57.050 58.200 0.064 0.000 0.849 230 S CB 1.428 64.662 63.200 0.057 0.000 1.103 230 S HN -0.291 nan 8.310 nan 0.000 0.455 231 P HA 0.142 nan 4.420 nan 0.000 0.221 231 P C 1.532 178.830 177.300 -0.002 0.000 1.150 231 P CA 1.439 64.544 63.100 0.009 0.000 0.800 231 P CB -0.300 31.408 31.700 0.014 0.000 0.787 232 G N -0.802 107.997 108.800 -0.001 0.000 2.679 232 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.212 232 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.212 232 G C 1.289 176.175 174.900 -0.024 0.000 1.137 232 G CA 0.068 45.163 45.100 -0.010 0.000 0.787 232 G HN 0.306 nan 8.290 nan 0.000 0.534 233 I N -1.171 119.382 120.570 -0.028 0.000 4.057 233 I HA 0.231 4.401 4.170 -0.000 0.000 0.334 233 I C 2.211 178.290 176.117 -0.063 0.000 1.308 233 I CA -0.017 61.250 61.300 -0.055 0.000 1.125 233 I CB 0.173 38.140 38.000 -0.056 0.000 1.034 233 I HN 0.017 nan 8.210 nan 0.000 0.401 234 K N 1.756 122.129 120.400 -0.044 0.000 2.063 234 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 234 K C -0.753 175.814 176.600 -0.054 0.000 1.048 234 K CA 1.802 58.060 56.287 -0.048 0.000 0.928 234 K CB -1.027 31.456 32.500 -0.028 0.000 0.713 234 K HN 0.357 nan 8.250 nan 0.000 0.442 235 P HA -0.100 nan 4.420 nan 0.000 0.226 235 P C 0.732 177.996 177.300 -0.059 0.000 1.153 235 P CA 1.105 64.179 63.100 -0.043 0.000 0.777 235 P CB 0.053 31.734 31.700 -0.032 0.000 0.794 236 L N -1.567 119.608 121.223 -0.080 0.000 2.592 236 L HA 0.123 4.463 4.340 -0.000 0.000 0.227 236 L C 0.558 177.348 176.870 -0.134 0.000 1.127 236 L CA -0.452 54.324 54.840 -0.107 0.000 0.884 236 L CB -0.375 41.605 42.059 -0.132 0.000 1.065 236 L HN -0.098 nan 8.230 nan 0.000 0.457 237 L N 1.853 122.999 121.223 -0.128 0.000 2.367 237 L HA 0.153 4.492 4.340 -0.000 0.000 0.275 237 L C -0.658 176.119 176.870 -0.155 0.000 1.129 237 L CA -1.282 53.454 54.840 -0.173 0.000 0.839 237 L CB 0.106 42.052 42.059 -0.188 0.000 1.133 237 L HN -0.111 nan 8.230 nan 0.000 0.453 238 P HA -0.131 nan 4.420 nan 0.000 0.218 238 P C -0.644 176.690 177.300 0.058 0.000 1.149 238 P CA 1.385 64.453 63.100 -0.054 0.000 0.817 238 P CB 0.081 31.779 31.700 -0.003 0.000 0.785 239 Y N -2.755 117.538 120.300 -0.013 0.000 2.597 239 Y HA 0.739 5.289 4.550 -0.000 0.000 0.340 239 Y C -3.008 172.895 175.900 0.005 0.000 1.097 239 Y CA -3.667 54.431 58.100 -0.004 0.000 1.037 239 Y CB -0.520 37.938 38.460 -0.004 0.000 1.305 239 Y HN -0.330 nan 8.280 nan 0.000 0.463 240 P HA 0.229 nan 4.420 nan 0.000 0.271 240 P C -0.817 176.590 177.300 0.179 0.000 1.220 240 P CA 0.070 63.242 63.100 0.119 0.000 0.768 240 P CB 1.226 32.987 31.700 0.102 0.000 0.848 241 L N 3.435 124.703 121.223 0.074 0.000 2.350 241 L HA 0.319 4.659 4.340 -0.000 0.000 0.275 241 L C 0.977 177.902 176.870 0.091 0.000 1.099 241 L CA -0.464 54.432 54.840 0.093 0.000 0.808 241 L CB 0.660 42.723 42.059 0.007 0.000 1.149 241 L HN 0.254 nan 8.230 nan 0.000 0.442 242 K N 2.735 123.198 120.400 0.105 0.000 2.316 242 K HA 0.238 4.558 4.320 -0.000 0.000 0.267 242 K C -0.531 176.121 176.600 0.087 0.000 1.025 242 K CA -0.486 55.854 56.287 0.088 0.000 0.896 242 K CB 1.463 34.018 32.500 0.092 0.000 1.124 242 K HN 0.434 nan 8.250 nan 0.000 0.451 243 E N 1.717 121.969 120.200 0.087 0.000 2.376 243 E HA -0.003 4.347 4.350 -0.000 0.000 0.266 243 E C 0.260 176.949 176.600 0.149 0.000 1.009 243 E CA -0.032 56.438 56.400 0.117 0.000 0.902 243 E CB 0.831 30.596 29.700 0.107 0.000 0.972 243 E HN 0.740 nan 8.360 nan 0.000 0.439 244 A N 5.188 128.146 122.820 0.229 0.000 2.085 244 A HA 0.102 4.422 4.320 -0.000 0.000 0.208 244 A C 0.218 177.994 177.584 0.320 0.000 1.191 244 A CA -0.135 52.064 52.037 0.270 0.000 0.799 244 A CB 0.253 19.435 19.000 0.304 0.000 0.877 244 A HN 0.610 nan 8.150 nan 0.000 0.473 245 F N 1.597 121.663 119.950 0.194 0.000 2.394 245 F HA 0.513 5.039 4.527 -0.000 0.000 0.340 245 F C 0.500 176.277 175.800 -0.038 0.000 1.105 245 F CA 0.167 58.180 58.000 0.022 0.000 1.124 245 F CB 1.323 40.252 39.000 -0.119 0.000 1.145 245 F HN 0.114 nan 8.300 nan 0.000 0.505 246 S N 6.283 121.772 115.700 -0.351 0.000 2.564 246 S HA 0.790 5.259 4.470 -0.000 0.000 0.274 246 S C -1.945 172.263 174.600 -0.653 0.000 1.124 246 S CA -0.850 57.168 58.200 -0.304 0.000 0.869 246 S CB 1.925 65.057 63.200 -0.114 0.000 1.105 246 S HN 0.776 nan 8.310 nan 0.000 0.472 247 L N 1.947 122.686 121.223 -0.806 0.000 2.436 247 L HA 0.769 5.109 4.340 -0.000 0.000 0.268 247 L C -1.619 174.493 176.870 -1.263 0.000 0.974 247 L CA 0.011 54.334 54.840 -0.862 0.000 0.826 247 L CB 1.741 43.528 42.059 -0.452 0.000 1.291 247 L HN 1.058 nan 8.230 nan 0.000 0.406 248 H N 1.769 120.289 119.070 -0.916 0.000 2.894 248 H HA 0.923 5.479 4.556 -0.000 0.000 0.368 248 H C -0.893 173.787 175.328 -1.080 0.000 1.181 248 H CA -0.619 54.810 56.048 -1.031 0.000 1.146 248 H CB 2.178 31.169 29.762 -1.287 0.000 1.839 248 H HN 0.618 nan 8.280 nan 0.000 0.557 249 S N -0.277 115.088 115.700 -0.558 0.000 2.790 249 S HA 0.698 5.167 4.470 -0.000 0.000 0.292 249 S C -1.541 173.038 174.600 -0.035 0.000 1.197 249 S CA -0.878 57.167 58.200 -0.258 0.000 0.851 249 S CB 1.295 64.358 63.200 -0.229 0.000 1.217 249 S HN 0.613 nan 8.310 nan 0.000 0.526 250 R N 0.545 121.085 120.500 0.066 0.000 2.740 250 R HA 0.496 4.835 4.340 -0.000 0.000 0.273 250 R C -1.246 175.087 176.300 0.055 0.000 0.998 250 R CA -0.833 55.323 56.100 0.094 0.000 0.900 250 R CB 1.243 31.644 30.300 0.168 0.000 1.223 250 R HN 0.524 nan 8.270 nan 0.000 0.466 251 L N 2.602 123.852 121.223 0.045 0.000 2.477 251 L HA 0.053 4.393 4.340 -0.000 0.000 0.272 251 L C 1.469 178.380 176.870 0.067 0.000 1.157 251 L CA -0.148 54.718 54.840 0.044 0.000 0.889 251 L CB 0.780 42.857 42.059 0.031 0.000 1.158 251 L HN 0.607 nan 8.230 nan 0.000 0.473 252 V N -0.965 118.999 119.914 0.082 0.000 3.660 252 V HA 0.253 4.373 4.120 -0.000 0.000 0.276 252 V C 0.080 176.273 176.094 0.165 0.000 1.317 252 V CA 0.205 62.562 62.300 0.096 0.000 1.097 252 V CB -0.386 31.481 31.823 0.073 0.000 0.863 252 V HN 0.850 nan 8.190 nan 0.000 0.438 253 H N -0.991 118.097 119.070 0.031 0.000 3.112 253 H HA 0.749 5.305 4.556 -0.000 0.000 0.347 253 H C -1.809 173.554 175.328 0.058 0.000 1.188 253 H CA -0.529 55.544 56.048 0.040 0.000 1.240 253 H CB 2.162 31.944 29.762 0.033 0.000 1.920 253 H HN -0.026 nan 8.280 nan 0.000 0.535 254 V N 4.877 124.633 119.914 -0.264 0.000 2.733 254 V HA 0.518 4.638 4.120 -0.000 0.000 0.306 254 V C -0.997 174.948 176.094 -0.249 0.000 1.084 254 V CA -0.788 61.418 62.300 -0.156 0.000 0.905 254 V CB 1.896 33.727 31.823 0.013 0.000 1.010 254 V HN 0.868 nan 8.190 nan 0.000 0.424 255 K N 2.538 122.886 120.400 -0.087 0.000 2.556 255 K HA 0.704 5.024 4.320 -0.000 0.000 0.274 255 K C -1.350 175.168 176.600 -0.138 0.000 0.966 255 K CA -1.144 55.093 56.287 -0.083 0.000 0.865 255 K CB 2.784 35.161 32.500 -0.205 0.000 1.444 255 K HN 0.413 nan 8.250 nan 0.000 0.433 256 K N 2.564 122.687 120.400 -0.462 0.000 2.240 256 K HA 0.332 4.652 4.320 -0.000 0.000 0.271 256 K C -0.867 175.478 176.600 -0.425 0.000 1.018 256 K CA -0.698 55.079 56.287 -0.851 0.000 0.874 256 K CB 0.810 32.443 32.500 -1.444 0.000 1.098 256 K HN 0.555 nan 8.250 nan 0.000 0.458 257 L N 3.837 124.874 121.223 -0.311 0.000 2.334 257 L HA 0.286 4.626 4.340 -0.000 0.000 0.277 257 L C 0.240 177.009 176.870 -0.168 0.000 1.075 257 L CA -0.814 53.925 54.840 -0.169 0.000 0.804 257 L CB 1.605 43.621 42.059 -0.071 0.000 1.174 257 L HN 0.638 nan 8.230 nan 0.000 0.438 258 Q N 3.023 122.751 119.800 -0.121 0.000 2.227 258 Q HA 0.379 4.719 4.340 -0.000 0.000 0.245 258 Q C -2.197 173.756 176.000 -0.078 0.000 0.926 258 Q CA -1.945 53.797 55.803 -0.102 0.000 0.895 258 Q CB 1.238 29.927 28.738 -0.082 0.000 1.230 258 Q HN 0.300 nan 8.270 nan 0.000 0.450 259 P HA -0.050 nan 4.420 nan 0.000 0.265 259 P C 0.559 177.821 177.300 -0.063 0.000 1.187 259 P CA 1.033 64.094 63.100 -0.066 0.000 0.766 259 P CB 0.414 32.081 31.700 -0.054 0.000 0.820 260 G N 1.379 110.133 108.800 -0.076 0.000 2.217 260 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.246 260 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.246 260 G C 0.046 174.909 174.900 -0.062 0.000 0.990 260 G CA -0.244 44.816 45.100 -0.067 0.000 0.627 260 G HN 0.585 nan 8.290 nan 0.000 0.522 261 E N 0.986 121.151 120.200 -0.059 0.000 2.354 261 E HA 0.455 4.805 4.350 -0.000 0.000 0.269 261 E C 0.124 176.706 176.600 -0.030 0.000 1.036 261 E CA 0.069 56.446 56.400 -0.038 0.000 0.876 261 E CB 0.763 30.443 29.700 -0.033 0.000 1.009 261 E HN 0.383 nan 8.360 nan 0.000 0.416 262 K N 0.937 121.335 120.400 -0.004 0.000 2.166 262 K HA 0.553 4.873 4.320 -0.000 0.000 0.245 262 K C -0.937 175.708 176.600 0.074 0.000 0.967 262 K CA -0.795 55.508 56.287 0.027 0.000 0.863 262 K CB 1.908 34.416 32.500 0.013 0.000 1.107 262 K HN 0.147 nan 8.250 nan 0.000 0.436 263 V N 1.377 121.378 119.914 0.146 0.000 2.588 263 V HA 0.376 4.496 4.120 -0.000 0.000 0.304 263 V C -0.004 176.125 176.094 0.058 0.000 1.042 263 V CA -0.498 61.868 62.300 0.110 0.000 0.877 263 V CB 1.277 33.194 31.823 0.156 0.000 0.996 263 V HN 1.024 nan 8.190 nan 0.000 0.425 264 S N 3.087 118.766 115.700 -0.035 0.000 3.795 264 S HA -0.187 4.283 4.470 -0.000 0.000 0.639 264 S C -0.542 174.000 174.600 -0.096 0.000 2.014 264 S CA -0.072 58.052 58.200 -0.126 0.000 2.183 264 S CB -0.622 62.551 63.200 -0.046 0.000 0.328 264 S HN 0.734 nan 8.310 nan 0.000 1.794 265 Y N 1.679 122.014 120.300 0.058 0.000 2.810 265 Y HA 0.315 4.865 4.550 -0.000 0.000 0.332 265 Y C 1.925 177.854 175.900 0.049 0.000 1.243 265 Y CA 1.323 59.454 58.100 0.053 0.000 1.537 265 Y CB -0.291 38.205 38.460 0.058 0.000 1.265 265 Y HN 1.456 nan 8.280 nan 0.000 0.572 266 G N 1.961 110.892 108.800 0.219 0.000 2.189 266 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.267 266 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.267 266 G C 0.683 175.640 174.900 0.096 0.000 0.975 266 G CA 0.278 45.458 45.100 0.132 0.000 0.644 266 G HN 1.913 nan 8.290 nan 0.000 0.537 267 A N -1.098 121.776 122.820 0.091 0.000 2.560 267 A HA 0.048 4.368 4.320 -0.000 0.000 0.299 267 A C 1.864 179.494 177.584 0.077 0.000 1.484 267 A CA 2.411 54.490 52.037 0.070 0.000 0.749 267 A CB -2.205 16.823 19.000 0.045 0.000 1.072 267 A HN 2.409 nan 8.150 nan 0.000 0.426 268 T N -3.267 111.352 114.554 0.108 0.000 3.129 268 T HA 0.378 4.728 4.350 -0.000 0.000 0.251 268 T C 0.133 174.931 174.700 0.163 0.000 1.117 268 T CA 0.987 63.156 62.100 0.115 0.000 1.034 268 T CB -0.114 68.827 68.868 0.122 0.000 0.968 268 T HN 1.277 nan 8.240 nan 0.000 0.526 269 Y N 1.399 121.717 120.300 0.030 0.000 2.391 269 Y HA 0.547 5.097 4.550 -0.000 0.000 0.341 269 Y C -1.135 174.774 175.900 0.014 0.000 0.965 269 Y CA -0.888 57.228 58.100 0.027 0.000 1.067 269 Y CB 2.098 40.570 38.460 0.021 0.000 1.199 269 Y HN 0.017 nan 8.280 nan 0.000 0.450 270 T N 5.302 119.391 114.554 -0.776 0.000 2.841 270 T HA 0.657 5.007 4.350 -0.000 0.000 0.285 270 T C -0.615 173.647 174.700 -0.731 0.000 0.991 270 T CA -0.584 61.196 62.100 -0.534 0.000 0.966 270 T CB 1.223 69.927 68.868 -0.274 0.000 0.962 270 T HN 0.850 nan 8.240 nan 0.000 0.438 271 A N 2.601 125.193 122.820 -0.381 0.000 2.484 271 A HA 0.266 4.586 4.320 -0.000 0.000 0.268 271 A C 1.243 178.733 177.584 -0.156 0.000 1.114 271 A CA -0.157 51.761 52.037 -0.197 0.000 0.780 271 A CB 0.208 19.182 19.000 -0.043 0.000 1.061 271 A HN 0.768 nan 8.150 nan 0.000 0.505 272 Q N 0.840 120.564 119.800 -0.125 0.000 2.331 272 Q HA 0.075 4.415 4.340 -0.000 0.000 0.203 272 Q C 0.922 176.894 176.000 -0.046 0.000 0.944 272 Q CA 1.711 57.465 55.803 -0.081 0.000 0.892 272 Q CB 0.226 28.930 28.738 -0.057 0.000 0.983 272 Q HN 0.969 nan 8.270 nan 0.000 0.482 273 T N -4.176 110.358 114.554 -0.033 0.000 2.654 273 T HA 0.369 4.719 4.350 -0.000 0.000 0.289 273 T C -0.669 174.003 174.700 -0.047 0.000 1.062 273 T CA -1.011 61.072 62.100 -0.029 0.000 1.041 273 T CB 0.806 69.671 68.868 -0.006 0.000 1.417 273 T HN -0.160 nan 8.240 nan 0.000 0.510 274 E N 1.471 121.634 120.200 -0.061 0.000 2.081 274 E HA 0.196 4.546 4.350 -0.000 0.000 0.270 274 E C -0.389 176.128 176.600 -0.138 0.000 1.180 274 E CA 0.157 56.481 56.400 -0.126 0.000 0.926 274 E CB 0.278 29.903 29.700 -0.124 0.000 1.035 274 E HN 0.397 nan 8.360 nan 0.000 0.418 275 E N 2.221 122.327 120.200 -0.156 0.000 2.235 275 E HA 0.332 4.682 4.350 -0.000 0.000 0.265 275 E C -1.001 175.464 176.600 -0.225 0.000 0.940 275 E CA -0.810 55.538 56.400 -0.086 0.000 0.819 275 E CB 1.237 30.963 29.700 0.043 0.000 1.206 275 E HN 0.296 nan 8.360 nan 0.000 0.409 276 W N 2.034 123.338 121.300 0.006 0.000 2.391 276 W HA 0.361 5.021 4.660 0.000 0.000 0.311 276 W C -0.635 175.868 176.519 -0.027 0.000 1.087 276 W CA -0.487 56.847 57.345 -0.018 0.000 1.209 276 W CB 0.820 30.266 29.460 -0.022 0.000 1.273 276 W HN 0.178 nan 8.180 nan 0.000 0.482 277 I N 3.510 124.164 120.570 0.139 0.000 2.404 277 I HA 0.525 4.695 4.170 -0.000 0.000 0.293 277 I C 0.540 176.681 176.117 0.040 0.000 0.992 277 I CA -0.719 60.615 61.300 0.058 0.000 1.149 277 I CB 0.958 38.962 38.000 0.008 0.000 1.315 277 I HN 0.528 nan 8.210 nan 0.000 0.446 278 G N 3.929 112.743 108.800 0.025 0.000 2.452 278 G HA2 0.621 4.581 3.960 -0.000 0.000 0.324 278 G HA3 0.621 4.581 3.960 -0.000 0.000 0.324 278 G C -0.770 174.139 174.900 0.015 0.000 1.214 278 G CA -0.260 44.849 45.100 0.016 0.000 0.947 278 G HN 0.491 nan 8.290 nan 0.000 0.478 279 T N 1.909 116.489 114.554 0.043 0.000 2.794 279 T HA 0.550 4.900 4.350 -0.000 0.000 0.280 279 T C 0.262 174.985 174.700 0.039 0.000 0.987 279 T CA -0.139 61.992 62.100 0.051 0.000 0.993 279 T CB 1.011 69.940 68.868 0.101 0.000 0.939 279 T HN 0.604 nan 8.240 nan 0.000 0.449 280 I N 0.681 121.257 120.570 0.011 0.000 2.569 280 I HA 0.583 4.753 4.170 -0.000 0.000 0.296 280 I C -2.617 173.490 176.117 -0.017 0.000 1.028 280 I CA -3.453 57.840 61.300 -0.011 0.000 1.082 280 I CB 2.477 40.442 38.000 -0.058 0.000 1.264 280 I HN 0.235 nan 8.210 nan 0.000 0.429 281 P HA 0.340 nan 4.420 nan 0.000 0.225 281 P C -0.616 176.654 177.300 -0.049 0.000 1.768 281 P CA 0.376 63.469 63.100 -0.011 0.000 0.943 281 P CB -0.187 31.528 31.700 0.025 0.000 1.936 282 I N -0.357 120.167 120.570 -0.077 0.000 2.692 282 I HA 0.737 4.907 4.170 -0.000 0.000 0.293 282 I C -0.601 175.500 176.117 -0.027 0.000 1.200 282 I CA -0.588 60.648 61.300 -0.107 0.000 1.036 282 I CB 2.243 40.086 38.000 -0.262 0.000 1.258 282 I HN 0.176 nan 8.210 nan 0.000 0.421 283 G N 3.894 112.698 108.800 0.006 0.000 2.870 283 G HA2 0.215 4.175 3.960 -0.000 0.000 0.299 283 G HA3 0.215 4.175 3.960 -0.000 0.000 0.299 283 G C -0.466 174.497 174.900 0.105 0.000 1.324 283 G CA -0.110 45.019 45.100 0.049 0.000 0.808 283 G HN 0.694 nan 8.290 nan 0.000 0.535 284 Y N -1.268 119.107 120.300 0.124 0.000 2.421 284 Y HA 0.321 4.871 4.550 -0.000 0.000 0.292 284 Y C 2.385 178.322 175.900 0.061 0.000 1.136 284 Y CA 1.149 59.302 58.100 0.089 0.000 1.255 284 Y CB -0.600 37.888 38.460 0.045 0.000 0.991 284 Y HN 0.346 nan 8.280 nan 0.000 0.552 285 A N 0.329 123.098 122.820 -0.084 0.000 2.209 285 A HA -0.056 4.264 4.320 -0.000 0.000 0.212 285 A C 1.312 178.882 177.584 -0.023 0.000 1.158 285 A CA 1.178 53.210 52.037 -0.010 0.000 0.742 285 A CB -0.486 18.456 19.000 -0.096 0.000 0.790 285 A HN 0.517 nan 8.150 nan 0.000 0.472 286 D N -1.279 119.118 120.400 -0.005 0.000 2.363 286 D HA 0.257 4.897 4.640 -0.000 0.000 0.214 286 D C 1.298 177.636 176.300 0.064 0.000 1.093 286 D CA 0.929 54.917 54.000 -0.020 0.000 0.837 286 D CB 0.466 41.245 40.800 -0.035 0.000 0.948 286 D HN 0.526 nan 8.370 nan 0.000 0.507 287 G N 0.949 109.820 108.800 0.119 0.000 2.175 287 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 287 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 287 G C 0.046 175.069 174.900 0.206 0.000 0.982 287 G CA -0.248 44.930 45.100 0.130 0.000 0.641 287 G HN 0.407 nan 8.290 nan 0.000 0.527 288 W N 3.541 124.843 121.300 0.002 0.000 1.912 288 W HA 0.558 5.218 4.660 -0.000 0.000 0.399 288 W C 0.564 177.116 176.519 0.054 0.000 0.800 288 W CA -0.854 56.489 57.345 -0.005 0.000 1.593 288 W CB -0.348 29.103 29.460 -0.016 0.000 1.769 288 W HN 0.076 nan 8.180 nan 0.000 0.281 289 L N 4.045 125.220 121.223 -0.080 0.000 2.516 289 L HA -0.081 4.259 4.340 -0.000 0.000 0.288 289 L C 1.862 178.664 176.870 -0.113 0.000 1.246 289 L CA 0.433 55.230 54.840 -0.071 0.000 0.844 289 L CB 0.274 42.256 42.059 -0.128 0.000 1.106 289 L HN 0.387 nan 8.230 nan 0.000 0.509 290 R N 0.942 121.399 120.500 -0.073 0.000 2.127 290 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 290 R C 2.134 178.383 176.300 -0.085 0.000 1.134 290 R CA 1.307 57.369 56.100 -0.063 0.000 0.975 290 R CB -0.252 29.969 30.300 -0.132 0.000 0.865 290 R HN 0.473 nan 8.270 nan 0.000 0.447 291 R N 0.914 121.351 120.500 -0.104 0.000 2.249 291 R HA -0.085 4.255 4.340 -0.000 0.000 0.230 291 R C 1.391 177.690 176.300 -0.003 0.000 1.121 291 R CA 0.878 56.940 56.100 -0.064 0.000 0.997 291 R CB -0.104 30.142 30.300 -0.090 0.000 0.867 291 R HN 0.201 nan 8.270 nan 0.000 0.465 292 L N 0.862 121.999 121.223 -0.143 0.000 2.599 292 L HA 0.029 4.369 4.340 -0.000 0.000 0.230 292 L C 0.923 177.732 176.870 -0.101 0.000 1.141 292 L CA 0.055 54.760 54.840 -0.225 0.000 0.877 292 L CB -0.238 41.341 42.059 -0.800 0.000 1.009 292 L HN 0.299 nan 8.230 nan 0.000 0.447 293 Q N 0.191 119.950 119.800 -0.069 0.000 2.361 293 Q HA -0.087 4.253 4.340 -0.000 0.000 0.276 293 Q C 0.183 176.082 176.000 -0.169 0.000 1.022 293 Q CA 0.696 56.381 55.803 -0.198 0.000 0.898 293 Q CB 0.265 28.799 28.738 -0.340 0.000 1.246 293 Q HN 0.429 nan 8.270 nan 0.000 0.410 294 H N -0.303 118.801 119.070 0.057 0.000 4.407 294 H HA -0.226 4.330 4.556 -0.000 0.000 0.114 294 H C -0.571 174.760 175.328 0.004 0.000 0.643 294 H CA 0.634 56.724 56.048 0.069 0.000 1.216 294 H CB -1.396 28.499 29.762 0.221 0.000 0.587 294 H HN 0.597 nan 8.280 nan 0.000 0.633 295 F N 2.732 122.537 119.950 -0.241 0.000 2.490 295 F HA 0.331 4.858 4.527 -0.000 0.000 0.336 295 F C 0.847 176.567 175.800 -0.132 0.000 1.178 295 F CA 0.117 57.882 58.000 -0.393 0.000 1.301 295 F CB 0.475 39.090 39.000 -0.642 0.000 1.175 295 F HN 0.063 nan 8.300 nan 0.000 0.593 296 H N 1.939 120.482 119.070 -0.878 0.000 2.457 296 H HA 0.534 5.090 4.556 -0.000 0.000 0.335 296 H C -0.555 174.522 175.328 -0.419 0.000 1.115 296 H CA -0.452 55.300 56.048 -0.493 0.000 1.219 296 H CB 1.406 30.919 29.762 -0.415 0.000 1.471 296 H HN 0.484 nan 8.280 nan 0.000 0.491 297 V N 1.416 121.304 119.914 -0.042 0.000 3.093 297 V HA 0.554 4.674 4.120 -0.000 0.000 0.320 297 V C -0.293 175.798 176.094 -0.007 0.000 1.093 297 V CA -1.137 61.174 62.300 0.019 0.000 1.016 297 V CB 1.623 33.467 31.823 0.035 0.000 1.096 297 V HN 0.537 nan 8.190 nan 0.000 0.452 298 L N 1.950 123.166 121.223 -0.011 0.000 2.309 298 L HA 0.785 5.125 4.340 -0.000 0.000 0.282 298 L C -0.584 176.279 176.870 -0.013 0.000 1.036 298 L CA -0.683 54.151 54.840 -0.010 0.000 0.806 298 L CB 1.675 43.730 42.059 -0.006 0.000 1.220 298 L HN 0.599 nan 8.230 nan 0.000 0.429 299 V N 2.972 122.882 119.914 -0.007 0.000 2.653 299 V HA 0.280 4.400 4.120 -0.000 0.000 0.298 299 V C -0.571 175.518 176.094 -0.009 0.000 1.097 299 V CA -0.139 62.155 62.300 -0.009 0.000 0.908 299 V CB 1.563 33.379 31.823 -0.013 0.000 1.024 299 V HN 0.919 nan 8.190 nan 0.000 0.435 300 D N 4.774 125.169 120.400 -0.008 0.000 2.907 300 D HA -0.112 4.528 4.640 -0.000 0.000 0.226 300 D C 1.118 177.412 176.300 -0.009 0.000 1.141 300 D CA 2.135 56.127 54.000 -0.012 0.000 0.779 300 D CB -1.183 39.605 40.800 -0.021 0.000 1.095 300 D HN 2.107 nan 8.370 nan 0.000 0.430 301 G N -0.927 107.870 108.800 -0.005 0.000 2.184 301 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.264 301 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.264 301 G C 0.155 175.051 174.900 -0.007 0.000 0.975 301 G CA 0.805 45.902 45.100 -0.005 0.000 0.642 301 G HN 0.646 nan 8.290 nan 0.000 0.536 302 Q N -0.587 119.209 119.800 -0.005 0.000 2.413 302 Q HA 0.634 4.974 4.340 -0.000 0.000 0.276 302 Q C -0.383 175.620 176.000 0.006 0.000 1.099 302 Q CA -0.971 54.831 55.803 -0.003 0.000 0.814 302 Q CB 1.878 30.617 28.738 0.001 0.000 1.379 302 Q HN 0.220 nan 8.270 nan 0.000 0.436 303 K N 0.781 121.187 120.400 0.011 0.000 2.298 303 K HA 0.595 4.915 4.320 -0.000 0.000 0.280 303 K C -0.974 175.705 176.600 0.132 0.000 1.032 303 K CA -0.184 56.133 56.287 0.051 0.000 0.958 303 K CB 0.914 33.405 32.500 -0.015 0.000 0.978 303 K HN 0.615 nan 8.250 nan 0.000 0.472 304 A N 4.765 127.653 122.820 0.112 0.000 2.398 304 A HA 0.493 4.813 4.320 -0.000 0.000 0.301 304 A C -2.638 174.851 177.584 -0.158 0.000 1.041 304 A CA -1.726 50.328 52.037 0.028 0.000 0.711 304 A CB 1.122 20.120 19.000 -0.004 0.000 1.240 304 A HN 0.425 nan 8.150 nan 0.000 0.420 305 P HA 0.329 nan 4.420 nan 0.000 0.278 305 P C -0.542 176.584 177.300 -0.289 0.000 1.238 305 P CA -0.064 62.666 63.100 -0.617 0.000 0.794 305 P CB 0.807 32.152 31.700 -0.591 0.000 0.955 306 I N 2.717 123.156 120.570 -0.219 0.000 2.379 306 I HA 0.080 4.250 4.170 -0.000 0.000 0.290 306 I C 0.712 176.707 176.117 -0.203 0.000 1.063 306 I CA -0.503 60.724 61.300 -0.120 0.000 1.351 306 I CB 0.707 38.710 38.000 0.004 0.000 1.410 306 I HN 0.133 nan 8.210 nan 0.000 0.505 307 V N 3.897 123.640 119.914 -0.285 0.000 2.472 307 V HA 0.991 5.111 4.120 -0.000 0.000 0.290 307 V C 0.460 176.349 176.094 -0.341 0.000 1.037 307 V CA -0.213 61.787 62.300 -0.501 0.000 0.908 307 V CB 0.707 31.873 31.823 -1.095 0.000 0.985 307 V HN 1.045 nan 8.190 nan 0.000 0.454 308 G N 3.733 112.406 108.800 -0.212 0.000 2.829 308 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.628 308 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.628 308 G C -0.312 174.571 174.900 -0.028 0.000 1.412 308 G CA -0.361 44.722 45.100 -0.027 0.000 0.864 308 G HN 1.104 nan 8.290 nan 0.000 0.544 309 R N -0.836 119.692 120.500 0.047 0.000 2.590 309 R HA 0.335 4.675 4.340 -0.000 0.000 0.274 309 R C 0.792 177.165 176.300 0.121 0.000 1.061 309 R CA -0.171 55.980 56.100 0.086 0.000 1.081 309 R CB 0.451 30.855 30.300 0.175 0.000 0.984 309 R HN 0.449 nan 8.270 nan 0.000 0.448 310 I N 2.307 122.961 120.570 0.140 0.000 2.474 310 I HA 0.036 4.206 4.170 -0.000 0.000 0.287 310 I C 0.419 176.739 176.117 0.339 0.000 1.048 310 I CA -0.248 61.175 61.300 0.204 0.000 1.383 310 I CB 0.859 38.984 38.000 0.208 0.000 1.412 310 I HN 0.567 nan 8.210 nan 0.000 0.531 311 C N 5.182 124.646 119.300 0.274 0.000 2.352 311 C HA 0.218 4.678 4.460 -0.000 0.000 0.387 311 C C 1.904 176.813 174.990 -0.134 0.000 1.294 311 C CA -0.560 58.627 59.018 0.281 0.000 2.137 311 C CB 1.357 29.231 27.740 0.224 0.000 2.146 311 C HN 0.901 nan 8.230 nan 0.000 0.559 312 M N 1.027 120.320 119.600 -0.511 0.000 2.149 312 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 312 M C 0.736 176.734 176.300 -0.503 0.000 1.064 312 M CA 2.033 56.648 55.300 -1.142 0.000 1.102 312 M CB -0.117 32.119 32.600 -0.607 0.000 1.369 312 M HN 0.716 nan 8.290 nan 0.000 0.408 313 D N -1.181 119.089 120.400 -0.217 0.000 2.500 313 D HA 0.155 4.795 4.640 -0.000 0.000 0.217 313 D C -0.112 176.157 176.300 -0.051 0.000 1.159 313 D CA 0.131 54.064 54.000 -0.112 0.000 0.828 313 D CB 0.650 41.409 40.800 -0.068 0.000 1.039 313 D HN 0.477 nan 8.370 nan 0.000 0.512 314 Q N 0.192 119.978 119.800 -0.024 0.000 2.565 314 Q HA 0.635 4.975 4.340 -0.000 0.000 0.294 314 Q C -0.796 175.230 176.000 0.043 0.000 1.005 314 Q CA -0.963 54.843 55.803 0.006 0.000 0.771 314 Q CB 3.078 31.821 28.738 0.009 0.000 1.486 314 Q HN 0.248 nan 8.270 nan 0.000 0.422 315 C N -1.167 118.156 119.300 0.040 0.000 3.285 315 C HA 0.862 5.322 4.460 -0.000 0.000 0.325 315 C C -1.426 173.576 174.990 0.020 0.000 1.304 315 C CA -0.787 58.265 59.018 0.057 0.000 1.319 315 C CB 0.811 28.629 27.740 0.130 0.000 1.640 315 C HN 0.852 nan 8.230 nan 0.000 0.477 316 M N 2.534 122.131 119.600 -0.004 0.000 2.598 316 M HA 0.823 5.303 4.480 -0.000 0.000 0.317 316 M C -0.190 176.070 176.300 -0.067 0.000 1.179 316 M CA -0.794 54.486 55.300 -0.034 0.000 0.936 316 M CB 1.670 34.239 32.600 -0.051 0.000 1.713 316 M HN 0.842 nan 8.290 nan 0.000 0.460 317 I N -1.534 118.997 120.570 -0.065 0.000 2.828 317 I HA 0.688 4.858 4.170 -0.000 0.000 0.302 317 I C -0.753 175.320 176.117 -0.074 0.000 1.101 317 I CA -1.113 60.136 61.300 -0.085 0.000 1.031 317 I CB 2.208 40.178 38.000 -0.051 0.000 1.231 317 I HN 0.679 nan 8.210 nan 0.000 0.427 318 R N 5.150 125.596 120.500 -0.091 0.000 2.216 318 R HA 0.570 4.910 4.340 -0.000 0.000 0.332 318 R C -1.169 175.146 176.300 0.025 0.000 1.056 318 R CA -0.483 55.603 56.100 -0.023 0.000 0.901 318 R CB 0.623 30.912 30.300 -0.019 0.000 1.039 318 R HN 0.732 nan 8.270 nan 0.000 0.456 319 L N 6.826 128.094 121.223 0.075 0.000 2.439 319 L HA 0.301 4.641 4.340 -0.000 0.000 0.261 319 L C -1.001 175.921 176.870 0.086 0.000 1.153 319 L CA -1.980 52.903 54.840 0.071 0.000 0.808 319 L CB 0.873 42.979 42.059 0.078 0.000 1.126 319 L HN 0.594 nan 8.230 nan 0.000 0.460 320 P HA -0.038 nan 4.420 nan 0.000 0.217 320 P C 0.476 177.797 177.300 0.035 0.000 1.150 320 P CA 0.981 64.102 63.100 0.036 0.000 0.832 320 P CB 0.373 32.075 31.700 0.004 0.000 0.787 321 G N -1.217 107.559 108.800 -0.041 0.000 2.561 321 G HA2 0.407 4.367 3.960 -0.000 0.000 0.310 321 G HA3 0.407 4.367 3.960 -0.000 0.000 0.310 321 G C -3.271 171.285 174.900 -0.572 0.000 1.292 321 G CA -0.784 44.197 45.100 -0.199 0.000 0.811 321 G HN -0.224 nan 8.290 nan 0.000 0.482 322 P HA 0.428 nan 4.420 nan 0.000 0.275 322 P C -0.648 176.316 177.300 -0.561 0.000 1.276 322 P CA 0.072 62.406 63.100 -1.276 0.000 0.782 322 P CB 0.837 31.490 31.700 -1.746 0.000 0.851 323 L N 6.155 127.166 121.223 -0.353 0.000 2.330 323 L HA 0.574 4.914 4.340 -0.000 0.000 0.271 323 L C -1.889 174.898 176.870 -0.138 0.000 1.013 323 L CA -2.517 52.207 54.840 -0.192 0.000 0.816 323 L CB 1.919 43.907 42.059 -0.118 0.000 1.287 323 L HN 0.210 nan 8.230 nan 0.000 0.435 324 P HA 0.121 nan 4.420 nan 0.000 0.274 324 P C -0.521 176.769 177.300 -0.017 0.000 1.231 324 P CA -0.331 62.739 63.100 -0.051 0.000 0.790 324 P CB 0.994 32.670 31.700 -0.041 0.000 0.951 325 V N 1.611 121.530 119.914 0.008 0.000 2.740 325 V HA 0.320 4.440 4.120 -0.000 0.000 0.303 325 V C 1.697 177.809 176.094 0.030 0.000 1.054 325 V CA 1.936 64.257 62.300 0.035 0.000 1.106 325 V CB -0.091 31.768 31.823 0.061 0.000 0.957 325 V HN 1.087 nan 8.190 nan 0.000 0.486 326 G N 3.454 112.279 108.800 0.041 0.000 2.213 326 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.226 326 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.226 326 G C 0.365 175.294 174.900 0.049 0.000 0.992 326 G CA 0.030 45.158 45.100 0.046 0.000 0.632 326 G HN 0.749 nan 8.290 nan 0.000 0.511 327 T N 1.756 116.329 114.554 0.032 0.000 2.902 327 T HA 0.350 4.700 4.350 -0.000 0.000 0.301 327 T C 0.569 175.295 174.700 0.043 0.000 1.012 327 T CA 0.688 62.803 62.100 0.025 0.000 1.151 327 T CB 1.240 70.108 68.868 0.000 0.000 0.946 327 T HN 0.506 nan 8.240 nan 0.000 0.542 328 K N 2.797 123.230 120.400 0.054 0.000 2.350 328 K HA 0.330 4.650 4.320 -0.000 0.000 0.279 328 K C -0.996 175.618 176.600 0.022 0.000 1.027 328 K CA -0.415 55.914 56.287 0.070 0.000 0.969 328 K CB 0.403 32.960 32.500 0.095 0.000 0.954 328 K HN 0.314 nan 8.250 nan 0.000 0.474 329 V N 3.805 123.712 119.914 -0.012 0.000 2.444 329 V HA 0.222 4.342 4.120 -0.000 0.000 0.294 329 V C -0.512 175.522 176.094 -0.100 0.000 1.022 329 V CA -0.814 61.453 62.300 -0.055 0.000 0.850 329 V CB 1.835 33.608 31.823 -0.083 0.000 0.992 329 V HN 0.837 nan 8.190 nan 0.000 0.426 330 T N 6.238 120.750 114.554 -0.070 0.000 2.756 330 T HA 0.448 4.798 4.350 -0.000 0.000 0.290 330 T C 0.762 175.355 174.700 -0.179 0.000 0.985 330 T CA -0.214 61.812 62.100 -0.123 0.000 0.955 330 T CB 1.352 70.229 68.868 0.016 0.000 0.930 330 T HN 0.364 nan 8.240 nan 0.000 0.451 331 L N 3.467 124.492 121.223 -0.330 0.000 2.202 331 L HA 0.423 4.763 4.340 -0.000 0.000 0.205 331 L C 0.488 177.352 176.870 -0.011 0.000 1.083 331 L CA 1.049 55.745 54.840 -0.240 0.000 0.790 331 L CB 0.040 41.646 42.059 -0.755 0.000 0.942 331 L HN 0.577 nan 8.230 nan 0.000 0.452 332 I N -0.642 119.833 120.570 -0.157 0.000 2.500 332 I HA 0.622 4.792 4.170 -0.000 0.000 0.286 332 I C 0.105 176.141 176.117 -0.135 0.000 1.063 332 I CA -0.452 60.831 61.300 -0.028 0.000 1.062 332 I CB 1.572 39.605 38.000 0.055 0.000 1.223 332 I HN 0.150 nan 8.210 nan 0.000 0.435 333 G N 5.167 113.951 108.800 -0.026 0.000 2.302 333 G HA2 0.073 4.033 3.960 -0.000 0.000 0.276 333 G HA3 0.073 4.033 3.960 -0.000 0.000 0.276 333 G C -1.808 173.108 174.900 0.027 0.000 1.316 333 G CA -0.960 44.136 45.100 -0.007 0.000 0.988 333 G HN 0.637 nan 8.290 nan 0.000 0.479 334 R N -0.034 120.494 120.500 0.046 0.000 2.664 334 R HA 0.746 5.085 4.340 -0.000 0.000 0.286 334 R C -1.007 175.315 176.300 0.036 0.000 0.967 334 R CA -0.594 55.526 56.100 0.034 0.000 0.933 334 R CB 1.544 31.858 30.300 0.023 0.000 1.146 334 R HN 0.577 nan 8.270 nan 0.000 0.468 335 Q N 2.308 122.120 119.800 0.021 0.000 2.374 335 Q HA 0.265 4.605 4.340 -0.000 0.000 0.250 335 Q C -0.236 175.767 176.000 0.005 0.000 0.918 335 Q CA 0.268 56.080 55.803 0.015 0.000 0.778 335 Q CB 1.839 30.586 28.738 0.016 0.000 1.328 335 Q HN 1.020 nan 8.270 nan 0.000 0.445 336 G N 3.525 112.326 108.800 0.002 0.000 2.602 336 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.310 336 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.310 336 G C 0.401 175.301 174.900 -0.000 0.000 1.183 336 G CA 0.705 45.804 45.100 -0.001 0.000 0.979 336 G HN 0.663 nan 8.290 nan 0.000 0.545 337 D N 1.620 122.019 120.400 -0.002 0.000 2.271 337 D HA 0.158 4.798 4.640 -0.000 0.000 0.206 337 D C 1.114 177.413 176.300 -0.002 0.000 0.967 337 D CA 0.746 54.745 54.000 -0.002 0.000 0.867 337 D CB 0.048 40.845 40.800 -0.005 0.000 0.960 337 D HN 0.443 nan 8.370 nan 0.000 0.509 338 E N 0.500 120.698 120.200 -0.004 0.000 2.313 338 E HA 0.332 4.682 4.350 -0.000 0.000 0.272 338 E C -0.390 176.212 176.600 0.004 0.000 1.038 338 E CA -0.419 55.978 56.400 -0.005 0.000 0.863 338 E CB 2.715 32.407 29.700 -0.014 0.000 1.060 338 E HN -0.162 nan 8.360 nan 0.000 0.402 339 V N 3.394 123.313 119.914 0.008 0.000 2.971 339 V HA 0.524 4.644 4.120 -0.000 0.000 0.309 339 V C -1.333 174.782 176.094 0.036 0.000 1.130 339 V CA -0.659 61.654 62.300 0.022 0.000 0.964 339 V CB 1.863 33.702 31.823 0.027 0.000 1.029 339 V HN 0.558 nan 8.190 nan 0.000 0.427 340 I N 5.612 126.217 120.570 0.059 0.000 2.447 340 I HA 0.541 4.711 4.170 -0.000 0.000 0.287 340 I C 0.118 176.307 176.117 0.120 0.000 1.023 340 I CA -0.328 61.039 61.300 0.112 0.000 1.083 340 I CB 2.232 40.331 38.000 0.165 0.000 1.245 340 I HN 0.818 nan 8.210 nan 0.000 0.434 341 S N 5.719 121.495 115.700 0.127 0.000 2.690 341 S HA 0.529 4.999 4.470 -0.000 0.000 0.291 341 S C 1.047 175.715 174.600 0.113 0.000 1.138 341 S CA -0.780 57.484 58.200 0.106 0.000 1.013 341 S CB 1.657 64.906 63.200 0.081 0.000 1.053 341 S HN 0.587 nan 8.310 nan 0.000 0.539 342 I N 0.647 121.269 120.570 0.087 0.000 2.454 342 I HA -0.155 4.015 4.170 -0.000 0.000 0.254 342 I C 1.484 177.620 176.117 0.031 0.000 1.156 342 I CA 1.230 62.561 61.300 0.051 0.000 1.433 342 I CB -0.432 37.581 38.000 0.022 0.000 1.082 342 I HN 0.663 nan 8.210 nan 0.000 0.432 343 D N 0.807 121.235 120.400 0.047 0.000 2.178 343 D HA -0.155 4.485 4.640 -0.000 0.000 0.202 343 D C 1.736 178.073 176.300 0.062 0.000 0.974 343 D CA 1.044 55.070 54.000 0.043 0.000 0.841 343 D CB -0.187 40.639 40.800 0.044 0.000 0.953 343 D HN 0.310 nan 8.370 nan 0.000 0.478 344 D N -0.244 120.219 120.400 0.104 0.000 2.149 344 D HA -0.067 4.573 4.640 -0.000 0.000 0.201 344 D C 2.249 178.631 176.300 0.137 0.000 0.972 344 D CA 0.368 54.477 54.000 0.183 0.000 0.835 344 D CB 0.067 41.036 40.800 0.281 0.000 0.966 344 D HN 0.090 nan 8.370 nan 0.000 0.476 345 V N 1.604 121.507 119.914 -0.017 0.000 2.358 345 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 345 V C 2.583 178.546 176.094 -0.218 0.000 1.047 345 V CA 1.637 63.732 62.300 -0.342 0.000 1.035 345 V CB -0.746 30.912 31.823 -0.275 0.000 0.658 345 V HN 0.146 nan 8.190 nan 0.000 0.452 346 A N 0.123 122.887 122.820 -0.094 0.000 1.933 346 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 346 A C 2.400 179.961 177.584 -0.038 0.000 1.175 346 A CA 2.124 54.123 52.037 -0.064 0.000 0.628 346 A CB -0.580 18.408 19.000 -0.020 0.000 0.814 346 A HN 0.497 nan 8.150 nan 0.000 0.444 347 R N -1.417 119.086 120.500 0.005 0.000 2.080 347 R HA -0.238 4.102 4.340 -0.000 0.000 0.236 347 R C 2.178 178.494 176.300 0.026 0.000 1.137 347 R CA 2.115 58.234 56.100 0.032 0.000 0.943 347 R CB -0.524 29.824 30.300 0.081 0.000 0.846 347 R HN 0.709 nan 8.270 nan 0.000 0.431 348 H N -0.003 119.036 119.070 -0.052 0.000 2.387 348 H HA -0.037 4.519 4.556 -0.000 0.000 0.299 348 H C 1.685 176.942 175.328 -0.119 0.000 1.090 348 H CA 1.851 57.863 56.048 -0.059 0.000 1.332 348 H CB -0.001 29.687 29.762 -0.123 0.000 1.386 348 H HN 0.180 nan 8.280 nan 0.000 0.516 349 L N 0.285 121.454 121.223 -0.090 0.000 2.599 349 L HA 0.007 4.347 4.340 -0.000 0.000 0.230 349 L C 0.179 176.985 176.870 -0.107 0.000 1.141 349 L CA 0.486 55.249 54.840 -0.127 0.000 0.877 349 L CB -0.087 41.879 42.059 -0.156 0.000 1.009 349 L HN 0.374 nan 8.230 nan 0.000 0.447 350 E N 0.310 120.456 120.200 -0.091 0.000 2.320 350 E HA -0.223 4.127 4.350 -0.000 0.000 0.234 350 E C 0.237 176.803 176.600 -0.057 0.000 1.183 350 E CA 0.627 56.985 56.400 -0.070 0.000 0.713 350 E CB -1.105 28.547 29.700 -0.080 0.000 1.226 350 E HN 0.415 nan 8.360 nan 0.000 0.382 351 T N -1.135 113.390 114.554 -0.049 0.000 2.618 351 T HA 0.756 5.106 4.350 -0.000 0.000 0.286 351 T C -0.853 173.841 174.700 -0.010 0.000 1.027 351 T CA -0.449 61.629 62.100 -0.038 0.000 1.063 351 T CB 1.136 69.974 68.868 -0.051 0.000 1.440 351 T HN 0.319 nan 8.240 nan 0.000 0.505 352 I N 0.996 121.575 120.570 0.015 0.000 2.750 352 I HA 0.552 4.722 4.170 -0.000 0.000 0.308 352 I C 1.222 177.398 176.117 0.099 0.000 1.016 352 I CA -1.103 60.242 61.300 0.075 0.000 1.098 352 I CB 1.776 39.849 38.000 0.122 0.000 1.279 352 I HN 0.734 nan 8.210 nan 0.000 0.454 353 N N 2.835 121.597 118.700 0.103 0.000 2.184 353 N HA -0.308 4.432 4.740 -0.000 0.000 0.190 353 N C 1.273 176.809 175.510 0.043 0.000 1.011 353 N CA 1.831 54.903 53.050 0.038 0.000 0.867 353 N CB -1.065 37.418 38.487 -0.008 0.000 0.993 353 N HN 0.798 nan 8.380 nan 0.000 0.433 354 Y N 0.712 120.999 120.300 -0.021 0.000 2.102 354 Y HA -0.196 4.354 4.550 -0.000 0.000 0.280 354 Y C 2.656 178.486 175.900 -0.118 0.000 1.178 354 Y CA 1.828 59.898 58.100 -0.050 0.000 1.146 354 Y CB -0.549 37.873 38.460 -0.064 0.000 0.968 354 Y HN 0.282 nan 8.280 nan 0.000 0.504 355 E N -0.160 120.084 120.200 0.073 0.000 2.204 355 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 355 E C 2.056 178.613 176.600 -0.072 0.000 0.989 355 E CA 0.909 57.295 56.400 -0.023 0.000 0.824 355 E CB -0.014 29.668 29.700 -0.030 0.000 0.756 355 E HN 0.263 nan 8.360 nan 0.000 0.477 356 V N 1.955 121.818 119.914 -0.086 0.000 2.223 356 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 356 V C -0.760 175.203 176.094 -0.218 0.000 1.045 356 V CA 2.194 64.415 62.300 -0.131 0.000 1.000 356 V CB -1.568 30.182 31.823 -0.123 0.000 0.635 356 V HN 0.355 nan 8.190 nan 0.000 0.445 357 P HA -0.090 nan 4.420 nan 0.000 0.221 357 P C 1.764 178.848 177.300 -0.360 0.000 1.150 357 P CA 1.300 64.003 63.100 -0.662 0.000 0.800 357 P CB -0.291 30.833 31.700 -0.960 0.000 0.787 358 C N -0.469 118.706 119.300 -0.209 0.000 2.422 358 C HA -0.071 4.389 4.460 -0.000 0.000 0.279 358 C C 2.725 177.676 174.990 -0.066 0.000 1.305 358 C CA 1.753 60.702 59.018 -0.116 0.000 1.757 358 C CB -1.907 25.768 27.740 -0.108 0.000 1.962 358 C HN 0.307 nan 8.230 nan 0.000 0.499 359 T N 0.799 115.310 114.554 -0.071 0.000 3.014 359 T HA 0.103 4.453 4.350 -0.000 0.000 0.263 359 T C 0.673 175.377 174.700 0.007 0.000 1.078 359 T CA 0.469 62.555 62.100 -0.022 0.000 1.135 359 T CB -0.146 68.705 68.868 -0.028 0.000 0.895 359 T HN 0.208 nan 8.240 nan 0.000 0.480 360 I N 4.301 124.865 120.570 -0.011 0.000 2.671 360 I HA 0.047 4.217 4.170 -0.000 0.000 0.285 360 I C 1.291 177.426 176.117 0.031 0.000 1.148 360 I CA -0.205 61.119 61.300 0.040 0.000 1.386 360 I CB -1.171 36.885 38.000 0.094 0.000 1.406 360 I HN 0.249 nan 8.210 nan 0.000 0.540 361 S N 7.228 122.932 115.700 0.006 0.000 2.606 361 S HA 0.019 4.489 4.470 -0.000 0.000 0.257 361 S C 1.355 175.914 174.600 -0.069 0.000 1.327 361 S CA -0.140 58.050 58.200 -0.015 0.000 0.984 361 S CB 0.297 63.444 63.200 -0.088 0.000 0.941 361 S HN 0.585 nan 8.310 nan 0.000 0.576 362 Y N -0.456 119.875 120.300 0.053 0.000 2.483 362 Y HA 0.065 4.615 4.550 -0.000 0.000 0.291 362 Y C 2.345 178.273 175.900 0.046 0.000 1.143 362 Y CA 1.103 59.236 58.100 0.055 0.000 1.289 362 Y CB -0.498 37.996 38.460 0.057 0.000 0.983 362 Y HN 0.597 nan 8.280 nan 0.000 0.556 363 R N 0.699 120.631 120.500 -0.947 0.000 2.148 363 R HA 0.053 4.393 4.340 -0.000 0.000 0.227 363 R C -0.214 175.949 176.300 -0.229 0.000 1.103 363 R CA 0.602 56.344 56.100 -0.597 0.000 0.983 363 R CB -0.038 29.898 30.300 -0.607 0.000 0.874 363 R HN 0.230 nan 8.270 nan 0.000 0.451 364 V N 4.172 123.974 119.914 -0.185 0.000 2.408 364 V HA 0.194 4.314 4.120 -0.000 0.000 0.267 364 V C -2.052 173.972 176.094 -0.118 0.000 1.047 364 V CA -1.823 60.398 62.300 -0.132 0.000 0.937 364 V CB 1.037 32.794 31.823 -0.110 0.000 0.999 364 V HN 0.146 nan 8.190 nan 0.000 0.472 365 P HA 0.317 nan 4.420 nan 0.000 0.271 365 P C -0.689 176.485 177.300 -0.210 0.000 1.218 365 P CA -0.580 62.396 63.100 -0.206 0.000 0.780 365 P CB 0.904 32.346 31.700 -0.430 0.000 0.901 366 R N 1.878 122.281 120.500 -0.161 0.000 2.387 366 R HA 0.550 4.890 4.340 -0.000 0.000 0.314 366 R C -0.264 175.822 176.300 -0.357 0.000 0.958 366 R CA -0.457 55.455 56.100 -0.313 0.000 0.846 366 R CB 0.583 30.663 30.300 -0.367 0.000 1.147 366 R HN 0.462 nan 8.270 nan 0.000 0.447 367 I N 4.655 125.023 120.570 -0.336 0.000 2.339 367 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 367 I C -0.635 175.325 176.117 -0.262 0.000 0.994 367 I CA -0.600 60.596 61.300 -0.174 0.000 1.191 367 I CB 0.907 38.904 38.000 -0.005 0.000 1.343 367 I HN 0.362 nan 8.210 nan 0.000 0.458 368 F N 5.684 125.622 119.950 -0.019 0.000 2.422 368 F HA 0.519 5.046 4.527 -0.000 0.000 0.333 368 F C -0.235 175.500 175.800 -0.107 0.000 1.095 368 F CA -0.475 57.552 58.000 0.044 0.000 1.038 368 F CB 1.035 40.057 39.000 0.037 0.000 1.156 368 F HN 0.164 nan 8.300 nan 0.000 0.483 369 F N 1.692 121.751 119.950 0.181 0.000 2.508 369 F HA 0.745 5.272 4.527 -0.000 0.000 0.325 369 F C -0.245 175.595 175.800 0.067 0.000 1.090 369 F CA -0.900 57.160 58.000 0.100 0.000 0.945 369 F CB 2.195 41.232 39.000 0.061 0.000 1.156 369 F HN 0.291 nan 8.300 nan 0.000 0.463 370 R N 0.886 121.476 120.500 0.150 0.000 2.522 370 R HA 0.397 4.737 4.340 -0.000 0.000 0.273 370 R C -1.145 175.118 176.300 -0.062 0.000 1.133 370 R CA -0.837 55.230 56.100 -0.055 0.000 0.969 370 R CB 0.218 30.432 30.300 -0.142 0.000 1.235 370 R HN 0.758 nan 8.270 nan 0.000 0.433 371 H N 2.466 121.555 119.070 0.033 0.000 2.903 371 H HA -0.174 4.382 4.556 -0.000 0.000 0.285 371 H C -0.260 175.097 175.328 0.048 0.000 1.231 371 H CA 0.987 57.038 56.048 0.005 0.000 1.135 371 H CB -0.772 28.980 29.762 -0.017 0.000 1.328 371 H HN 0.777 nan 8.280 nan 0.000 0.388 372 K N -0.970 119.524 120.400 0.157 0.000 3.160 372 K HA -0.214 4.106 4.320 -0.000 0.000 0.280 372 K C -0.511 176.226 176.600 0.228 0.000 1.154 372 K CA 1.460 57.853 56.287 0.177 0.000 0.822 372 K CB -0.354 32.215 32.500 0.114 0.000 1.239 372 K HN 0.550 nan 8.250 nan 0.000 0.489 373 R N -0.150 120.485 120.500 0.226 0.000 2.771 373 R HA 0.466 4.806 4.340 -0.000 0.000 0.274 373 R C -0.179 176.098 176.300 -0.038 0.000 0.987 373 R CA -1.086 55.093 56.100 0.132 0.000 0.908 373 R CB 1.230 31.576 30.300 0.077 0.000 1.213 373 R HN 0.008 nan 8.270 nan 0.000 0.468 374 I N 2.871 123.292 120.570 -0.249 0.000 2.618 374 I HA -0.066 4.104 4.170 -0.000 0.000 0.284 374 I C 1.215 177.193 176.117 -0.233 0.000 1.146 374 I CA 0.745 61.714 61.300 -0.553 0.000 1.425 374 I CB 0.827 38.554 38.000 -0.455 0.000 1.383 374 I HN 0.684 nan 8.210 nan 0.000 0.562 375 M N 5.148 124.641 119.600 -0.179 0.000 2.470 375 M HA 0.270 4.750 4.480 -0.000 0.000 0.262 375 M C 0.089 176.376 176.300 -0.021 0.000 1.211 375 M CA 0.761 56.030 55.300 -0.051 0.000 1.125 375 M CB 1.163 33.763 32.600 0.000 0.000 1.480 375 M HN 0.706 nan 8.290 nan 0.000 0.541 376 E N 0.155 120.369 120.200 0.023 0.000 2.389 376 E HA 0.342 4.692 4.350 -0.000 0.000 0.281 376 E C -1.975 174.750 176.600 0.207 0.000 1.072 376 E CA -0.546 55.903 56.400 0.083 0.000 0.845 376 E CB 2.325 32.041 29.700 0.028 0.000 1.239 376 E HN 0.022 nan 8.360 nan 0.000 0.434 377 V N 3.016 123.025 119.914 0.159 0.000 2.540 377 V HA 0.553 4.673 4.120 -0.000 0.000 0.302 377 V C -0.311 175.900 176.094 0.195 0.000 1.035 377 V CA -0.673 61.725 62.300 0.163 0.000 0.873 377 V CB 1.663 33.556 31.823 0.116 0.000 0.992 377 V HN 0.575 nan 8.190 nan 0.000 0.428 378 R N 3.693 124.335 120.500 0.238 0.000 2.337 378 R HA 0.445 4.785 4.340 -0.000 0.000 0.319 378 R C -0.841 175.534 176.300 0.126 0.000 0.954 378 R CA -0.420 55.815 56.100 0.225 0.000 0.840 378 R CB 0.749 31.287 30.300 0.397 0.000 1.164 378 R HN 0.729 nan 8.270 nan 0.000 0.472 379 N N 3.279 122.046 118.700 0.111 0.000 2.518 379 N HA 0.212 4.952 4.740 -0.000 0.000 0.254 379 N C 0.347 175.930 175.510 0.121 0.000 0.979 379 N CA -0.206 52.900 53.050 0.094 0.000 0.930 379 N CB 1.869 40.423 38.487 0.112 0.000 1.152 379 N HN 0.676 nan 8.380 nan 0.000 0.505 380 A N 3.945 126.850 122.820 0.142 0.000 2.076 380 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 380 A C 1.087 178.782 177.584 0.184 0.000 1.160 380 A CA 1.186 53.330 52.037 0.180 0.000 0.653 380 A CB -0.721 18.436 19.000 0.263 0.000 0.801 380 A HN 0.764 nan 8.150 nan 0.000 0.455 381 I N 0.000 120.683 120.570 0.188 0.000 2.984 381 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 381 I CA 0.000 61.404 61.300 0.173 0.000 1.566 381 I CB 0.000 38.135 38.000 0.225 0.000 1.214 381 I HN 0.000 nan 8.210 nan 0.000 0.494