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 3e2d_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEIKNVILMI GDGMGPQQVG LLETYANQAP NSIYKGNKTA IYQLAQEGVI DATA SEQUENCE GSSLTHPEDA IVVDSACSAT MLATGIYSSS EVIGIDSQGN HVETVLEKAK DATA SEQUENCE KAGKATGLVS DTRLTHATPA SFAAHQPHRS LENQIASDML ATGADVMLSG DATA SEQUENCE GLRHWIPKST NDKGETYKQL EKLTQGDVYL KSKRKDDRNL LTEAEKDGYQ DATA SEQUENCE LAFNRNMLDD AKGDKLLGLF AYSGMDDGIA YSNKKKSGER TQPSLKEMTQ DATA SEQUENCE KALNILSKDE DGFFLMVEGG QIDWAGHSND AGTMLHELLK FDEAIQTVYE DATA SEQUENCE WAKDREDTIV IVTADHETGS FGFSYSSNDL PKPQKRSGEA FADRDYAPNF DATA SEQUENCE NFGAFDILDG LYNQKQSYYG MISEFQKLDK SLQTPEKLAE IVNKNSEFPI DATA SEQUENCE TAEQAKNVLA SKPNPYRLAQ HKYLSAEEVP AINDFDAFFP YNDRGNLLAR DATA SEQUENCE EQATGQNIVW GTGTHTHTPV NVFAWGPAEK ILPVSKIMHH SELGEYIKQQ DATA SEQUENCE VN 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.571 177.584 -0.022 0.000 1.274 1 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 1 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 2 E N 0.751 120.941 120.200 -0.016 0.000 2.652 2 E HA 0.113 4.462 4.350 -0.001 0.000 0.255 2 E C -0.518 176.076 176.600 -0.010 0.000 0.952 2 E CA -0.045 56.347 56.400 -0.012 0.000 0.947 2 E CB 0.157 29.852 29.700 -0.008 0.000 0.912 2 E HN 0.362 nan 8.360 nan 0.000 0.489 3 I N 5.837 126.400 120.570 -0.013 0.000 2.471 3 I HA -0.003 4.167 4.170 -0.001 0.000 0.286 3 I C 1.068 177.180 176.117 -0.009 0.000 1.079 3 I CA 0.560 61.854 61.300 -0.010 0.000 1.398 3 I CB 0.983 38.973 38.000 -0.017 0.000 1.403 3 I HN 0.700 nan 8.210 nan 0.000 0.530 4 K N 3.976 124.372 120.400 -0.007 0.000 2.350 4 K HA 0.182 4.501 4.320 -0.001 0.000 0.196 4 K C -0.020 176.541 176.600 -0.066 0.000 1.084 4 K CA 0.233 56.515 56.287 -0.008 0.000 0.967 4 K CB 0.525 33.039 32.500 0.023 0.000 0.950 4 K HN 0.544 nan 8.250 nan 0.000 0.512 5 N N 0.869 119.495 118.700 -0.123 0.000 2.284 5 N HA 0.297 5.037 4.740 -0.001 0.000 0.300 5 N C -1.312 174.066 175.510 -0.220 0.000 1.047 5 N CA -0.410 52.417 53.050 -0.372 0.000 0.821 5 N CB 2.807 40.954 38.487 -0.567 0.000 1.337 5 N HN -0.262 nan 8.380 nan 0.000 0.482 6 V N 2.569 122.342 119.914 -0.234 0.000 2.577 6 V HA 0.523 4.643 4.120 -0.001 0.000 0.303 6 V C -0.284 175.721 176.094 -0.149 0.000 1.042 6 V CA -0.630 61.649 62.300 -0.035 0.000 0.872 6 V CB 1.793 33.718 31.823 0.169 0.000 0.998 6 V HN 0.526 nan 8.190 nan 0.000 0.423 7 I N 5.686 126.201 120.570 -0.091 0.000 2.418 7 I HA 0.460 4.630 4.170 -0.001 0.000 0.287 7 I C -0.988 175.083 176.117 -0.076 0.000 1.008 7 I CA -0.710 60.493 61.300 -0.162 0.000 1.104 7 I CB 1.914 39.872 38.000 -0.069 0.000 1.264 7 I HN 0.402 nan 8.210 nan 0.000 0.438 8 L N 8.167 129.291 121.223 -0.166 0.000 2.305 8 L HA 0.596 4.935 4.340 -0.001 0.000 0.284 8 L C -0.827 176.022 176.870 -0.035 0.000 1.013 8 L CA -0.154 54.678 54.840 -0.012 0.000 0.819 8 L CB 1.127 43.247 42.059 0.102 0.000 1.227 8 L HN 0.514 nan 8.230 nan 0.000 0.417 9 M N 6.897 126.537 119.600 0.065 0.000 2.167 9 M HA 0.482 4.961 4.480 -0.001 0.000 0.333 9 M C -0.979 175.484 176.300 0.271 0.000 1.030 9 M CA -0.300 55.097 55.300 0.161 0.000 0.963 9 M CB 1.702 34.379 32.600 0.129 0.000 1.589 9 M HN 0.444 nan 8.290 nan 0.000 0.431 10 I N 2.169 122.847 120.570 0.179 0.000 2.355 10 I HA 0.406 4.576 4.170 -0.001 0.000 0.288 10 I C 0.537 176.456 176.117 -0.330 0.000 0.999 10 I CA -0.597 60.719 61.300 0.027 0.000 1.163 10 I CB 1.867 39.868 38.000 0.002 0.000 1.316 10 I HN 0.822 nan 8.210 nan 0.000 0.454 11 G N 4.689 113.219 108.800 -0.451 0.000 2.457 11 G HA2 0.098 4.058 3.960 -0.001 0.000 0.316 11 G HA3 0.098 4.058 3.960 -0.001 0.000 0.316 11 G C -0.360 174.267 174.900 -0.454 0.000 1.030 11 G CA -0.318 44.262 45.100 -0.866 0.000 1.073 11 G HN 0.584 nan 8.290 nan 0.000 0.430 12 D N 2.121 122.256 120.400 -0.443 0.000 2.382 12 D HA 0.326 4.965 4.640 -0.001 0.000 0.259 12 D C 1.440 177.520 176.300 -0.366 0.000 1.224 12 D CA 1.325 55.120 54.000 -0.342 0.000 0.894 12 D CB 0.846 41.506 40.800 -0.233 0.000 1.127 12 D HN 0.737 nan 8.370 nan 0.000 0.487 13 G N 4.124 112.585 108.800 -0.565 0.000 2.176 13 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.253 13 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.253 13 G C 0.691 175.442 174.900 -0.248 0.000 0.979 13 G CA 0.312 45.149 45.100 -0.437 0.000 0.641 13 G HN 0.566 nan 8.290 nan 0.000 0.530 14 M N 2.403 121.867 119.600 -0.226 0.000 3.422 14 M HA 0.469 4.949 4.480 -0.001 0.000 0.248 14 M C 1.125 177.405 176.300 -0.034 0.000 1.433 14 M CA 0.457 55.700 55.300 -0.095 0.000 1.592 14 M CB -0.672 31.890 32.600 -0.063 0.000 1.078 14 M HN 0.286 nan 8.290 nan 0.000 0.578 15 G N 2.923 111.704 108.800 -0.031 0.000 2.653 15 G HA2 0.214 4.174 3.960 -0.001 0.000 0.265 15 G HA3 0.214 4.174 3.960 -0.001 0.000 0.265 15 G C -2.195 172.735 174.900 0.050 0.000 1.237 15 G CA -1.079 44.018 45.100 -0.005 0.000 0.946 15 G HN 0.426 nan 8.290 nan 0.000 0.522 16 P HA -0.116 nan 4.420 nan 0.000 0.218 16 P C 1.712 179.074 177.300 0.105 0.000 1.148 16 P CA 1.221 64.364 63.100 0.072 0.000 0.822 16 P CB 0.154 31.872 31.700 0.030 0.000 0.784 17 Q N -0.506 119.354 119.800 0.100 0.000 2.077 17 Q HA -0.236 4.104 4.340 -0.001 0.000 0.206 17 Q C 2.306 178.481 176.000 0.291 0.000 0.989 17 Q CA 1.782 57.687 55.803 0.170 0.000 0.853 17 Q CB -0.919 27.918 28.738 0.165 0.000 0.907 17 Q HN 0.285 nan 8.270 nan 0.000 0.418 18 Q N -0.451 119.468 119.800 0.199 0.000 2.079 18 Q HA -0.062 4.277 4.340 -0.001 0.000 0.200 18 Q C 2.171 178.251 176.000 0.134 0.000 0.974 18 Q CA 1.165 57.034 55.803 0.110 0.000 0.840 18 Q CB -0.276 28.472 28.738 0.018 0.000 0.898 18 Q HN 0.207 nan 8.270 nan 0.000 0.430 19 V N 0.255 120.257 119.914 0.147 0.000 2.392 19 V HA -0.236 3.884 4.120 -0.001 0.000 0.249 19 V C 2.102 178.289 176.094 0.156 0.000 1.059 19 V CA 1.964 64.357 62.300 0.156 0.000 1.051 19 V CB -1.280 30.670 31.823 0.211 0.000 0.658 19 V HN 0.550 nan 8.190 nan 0.000 0.455 20 G N -0.150 108.760 108.800 0.183 0.000 2.432 20 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.219 20 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.219 20 G C 1.562 176.618 174.900 0.260 0.000 1.135 20 G CA 1.067 46.283 45.100 0.194 0.000 0.767 20 G HN 0.471 nan 8.290 nan 0.000 0.550 21 L N 0.256 121.686 121.223 0.345 0.000 2.017 21 L HA 0.074 4.413 4.340 -0.001 0.000 0.208 21 L C 2.503 179.541 176.870 0.281 0.000 1.073 21 L CA 1.728 56.825 54.840 0.428 0.000 0.745 21 L CB -0.692 41.568 42.059 0.335 0.000 0.894 21 L HN 0.180 nan 8.230 nan 0.000 0.432 22 L N -0.240 121.092 121.223 0.180 0.000 2.012 22 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 22 L C 2.450 179.369 176.870 0.081 0.000 1.073 22 L CA 1.858 56.779 54.840 0.135 0.000 0.748 22 L CB -0.947 41.163 42.059 0.084 0.000 0.891 22 L HN 0.334 nan 8.230 nan 0.000 0.431 23 E N -0.644 119.581 120.200 0.041 0.000 2.072 23 E HA -0.155 4.195 4.350 -0.001 0.000 0.191 23 E C 2.125 178.683 176.600 -0.070 0.000 0.985 23 E CA 1.799 58.171 56.400 -0.046 0.000 0.801 23 E CB -0.657 29.042 29.700 -0.001 0.000 0.750 23 E HN 0.560 nan 8.360 nan 0.000 0.452 24 T N 0.985 115.543 114.554 0.008 0.000 2.777 24 T HA -0.168 4.182 4.350 -0.001 0.000 0.266 24 T C 1.743 176.376 174.700 -0.112 0.000 1.040 24 T CA 1.299 63.361 62.100 -0.064 0.000 1.141 24 T CB -0.528 68.334 68.868 -0.011 0.000 0.868 24 T HN 0.229 nan 8.240 nan 0.000 0.444 25 Y N 2.381 122.654 120.300 -0.044 0.000 2.097 25 Y HA -0.153 4.397 4.550 -0.001 0.000 0.282 25 Y C 2.572 178.410 175.900 -0.104 0.000 1.152 25 Y CA 1.274 59.356 58.100 -0.030 0.000 1.136 25 Y CB -0.857 37.641 38.460 0.064 0.000 0.975 25 Y HN 0.171 nan 8.280 nan 0.000 0.498 26 A N 0.556 123.249 122.820 -0.212 0.000 1.908 26 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 26 A C 1.965 179.297 177.584 -0.420 0.000 1.181 26 A CA 2.095 53.907 52.037 -0.375 0.000 0.627 26 A CB -0.726 17.856 19.000 -0.698 0.000 0.818 26 A HN 0.650 nan 8.150 nan 0.000 0.445 27 N N -0.990 117.477 118.700 -0.389 0.000 2.368 27 N HA -0.022 4.718 4.740 -0.001 0.000 0.176 27 N C 1.368 176.625 175.510 -0.422 0.000 1.021 27 N CA 0.994 53.824 53.050 -0.366 0.000 0.888 27 N CB -0.026 38.267 38.487 -0.322 0.000 0.995 27 N HN 0.491 nan 8.380 nan 0.000 0.437 28 Q N -0.256 119.219 119.800 -0.542 0.000 2.280 28 Q HA 0.339 4.678 4.340 -0.001 0.000 0.244 28 Q C 0.057 175.682 176.000 -0.625 0.000 0.847 28 Q CA -0.142 55.186 55.803 -0.791 0.000 0.945 28 Q CB 0.469 28.321 28.738 -1.476 0.000 1.115 28 Q HN 0.150 nan 8.270 nan 0.000 0.513 29 A N 3.138 125.642 122.820 -0.526 0.000 2.520 29 A HA 0.203 4.523 4.320 -0.001 0.000 0.245 29 A C -1.449 175.987 177.584 -0.246 0.000 1.072 29 A CA -0.726 51.094 52.037 -0.362 0.000 0.761 29 A CB 0.121 18.739 19.000 -0.636 0.000 1.004 29 A HN -0.053 nan 8.150 nan 0.000 0.499 30 P HA -0.092 nan 4.420 nan 0.000 0.218 30 P C 0.475 177.732 177.300 -0.071 0.000 1.148 30 P CA 1.275 64.345 63.100 -0.050 0.000 0.822 30 P CB 0.188 31.904 31.700 0.026 0.000 0.784 31 N N -1.392 117.265 118.700 -0.071 0.000 2.401 31 N HA 0.051 4.791 4.740 -0.001 0.000 0.264 31 N C -0.244 175.181 175.510 -0.142 0.000 1.238 31 N CA 0.018 53.026 53.050 -0.069 0.000 0.889 31 N CB 0.166 38.653 38.487 -0.000 0.000 1.196 31 N HN -0.025 nan 8.380 nan 0.000 0.511 32 S N 1.348 116.890 115.700 -0.264 0.000 2.642 32 S HA -0.064 4.406 4.470 -0.001 0.000 0.308 32 S C 1.753 176.231 174.600 -0.203 0.000 1.255 32 S CA -0.335 57.624 58.200 -0.402 0.000 1.057 32 S CB 0.096 63.017 63.200 -0.464 0.000 0.785 32 S HN 0.399 nan 8.310 nan 0.000 0.500 33 I N 2.948 123.419 120.570 -0.166 0.000 3.176 33 I HA 0.002 4.171 4.170 -0.001 0.000 0.275 33 I C 1.074 177.056 176.117 -0.226 0.000 1.298 33 I CA 0.892 62.065 61.300 -0.211 0.000 1.445 33 I CB -0.451 37.365 38.000 -0.307 0.000 1.075 33 I HN 0.659 nan 8.210 nan 0.000 0.482 34 Y N 2.086 122.312 120.300 -0.125 0.000 2.516 34 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 34 Y C 1.037 176.863 175.900 -0.123 0.000 1.131 34 Y CA 0.399 58.430 58.100 -0.114 0.000 1.281 34 Y CB -0.156 38.227 38.460 -0.129 0.000 1.013 34 Y HN 0.163 nan 8.280 nan 0.000 0.554 35 K N -0.003 120.380 120.400 -0.027 0.000 3.148 35 K HA -0.274 4.046 4.320 -0.001 0.000 0.267 35 K C 1.062 177.634 176.600 -0.047 0.000 0.996 35 K CA 0.417 56.671 56.287 -0.054 0.000 0.737 35 K CB -1.941 30.526 32.500 -0.057 0.000 1.308 35 K HN 0.672 nan 8.250 nan 0.000 0.470 36 G N -1.070 107.694 108.800 -0.060 0.000 2.225 36 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.254 36 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.254 36 G C 0.074 174.928 174.900 -0.077 0.000 0.988 36 G CA 0.202 45.253 45.100 -0.081 0.000 0.625 36 G HN 0.380 nan 8.290 nan 0.000 0.527 37 N N 1.277 119.965 118.700 -0.020 0.000 2.482 37 N HA 0.417 5.157 4.740 -0.001 0.000 0.260 37 N C 0.545 176.005 175.510 -0.083 0.000 1.236 37 N CA 0.061 53.105 53.050 -0.010 0.000 0.938 37 N CB 0.572 39.106 38.487 0.079 0.000 1.128 37 N HN 0.206 nan 8.380 nan 0.000 0.448 38 K N 0.455 120.762 120.400 -0.156 0.000 2.126 38 K HA 0.190 4.509 4.320 -0.001 0.000 0.257 38 K C 0.502 176.960 176.600 -0.236 0.000 1.007 38 K CA -0.335 55.768 56.287 -0.307 0.000 0.928 38 K CB 0.237 32.509 32.500 -0.380 0.000 1.013 38 K HN 0.673 nan 8.250 nan 0.000 0.473 39 T N -2.048 112.281 114.554 -0.375 0.000 2.802 39 T HA 0.200 4.550 4.350 -0.001 0.000 0.305 39 T C 1.459 176.082 174.700 -0.128 0.000 1.053 39 T CA -0.042 61.875 62.100 -0.305 0.000 1.058 39 T CB 0.870 69.526 68.868 -0.353 0.000 0.988 39 T HN 0.465 nan 8.240 nan 0.000 0.539 40 A N 1.247 124.008 122.820 -0.099 0.000 1.933 40 A HA -0.011 4.308 4.320 -0.001 0.000 0.218 40 A C 2.164 179.576 177.584 -0.287 0.000 1.175 40 A CA 1.335 53.247 52.037 -0.209 0.000 0.628 40 A CB -0.917 17.981 19.000 -0.170 0.000 0.814 40 A HN 0.841 nan 8.150 nan 0.000 0.444 41 I N -1.696 118.707 120.570 -0.280 0.000 2.315 41 I HA -0.185 3.985 4.170 -0.001 0.000 0.248 41 I C 2.132 178.031 176.117 -0.363 0.000 1.117 41 I CA 1.259 62.314 61.300 -0.409 0.000 1.404 41 I CB -0.605 37.091 38.000 -0.506 0.000 1.071 41 I HN 0.503 nan 8.210 nan 0.000 0.419 42 Y N 0.811 120.919 120.300 -0.321 0.000 2.128 42 Y HA -0.361 4.189 4.550 -0.001 0.000 0.284 42 Y C 2.664 178.445 175.900 -0.198 0.000 1.154 42 Y CA 2.437 60.401 58.100 -0.226 0.000 1.149 42 Y CB -0.358 37.984 38.460 -0.197 0.000 0.976 42 Y HN 0.302 nan 8.280 nan 0.000 0.505 43 Q N 0.546 120.296 119.800 -0.084 0.000 2.119 43 Q HA -0.174 4.166 4.340 -0.001 0.000 0.201 43 Q C 2.266 178.116 176.000 -0.251 0.000 0.972 43 Q CA 1.876 57.565 55.803 -0.191 0.000 0.847 43 Q CB -0.599 27.926 28.738 -0.355 0.000 0.903 43 Q HN 0.704 nan 8.270 nan 0.000 0.433 44 L N -0.412 120.632 121.223 -0.297 0.000 2.046 44 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 44 L C 2.067 178.972 176.870 0.060 0.000 1.077 44 L CA 1.646 56.431 54.840 -0.092 0.000 0.747 44 L CB -0.497 41.462 42.059 -0.167 0.000 0.896 44 L HN 0.315 nan 8.230 nan 0.000 0.432 45 A N -1.006 121.759 122.820 -0.092 0.000 1.969 45 A HA -0.269 4.050 4.320 -0.001 0.000 0.218 45 A C 2.223 179.760 177.584 -0.079 0.000 1.169 45 A CA 1.705 53.743 52.037 0.002 0.000 0.635 45 A CB -0.572 18.420 19.000 -0.014 0.000 0.810 45 A HN 0.654 nan 8.150 nan 0.000 0.445 46 Q N -0.383 119.283 119.800 -0.222 0.000 2.119 46 Q HA -0.173 4.166 4.340 -0.001 0.000 0.201 46 Q C 1.731 177.715 176.000 -0.026 0.000 0.972 46 Q CA 1.691 57.375 55.803 -0.198 0.000 0.847 46 Q CB -0.077 28.499 28.738 -0.270 0.000 0.903 46 Q HN 0.783 nan 8.270 nan 0.000 0.433 47 E N -0.706 119.543 120.200 0.082 0.000 2.230 47 E HA 0.042 4.391 4.350 -0.001 0.000 0.192 47 E C 0.792 177.430 176.600 0.063 0.000 0.987 47 E CA 0.469 56.957 56.400 0.146 0.000 0.841 47 E CB 0.401 30.345 29.700 0.406 0.000 0.783 47 E HN 0.386 nan 8.360 nan 0.000 0.481 48 G N 0.781 109.661 108.800 0.133 0.000 2.940 48 G HA2 0.489 4.449 3.960 -0.001 0.000 0.164 48 G HA3 0.489 4.449 3.960 -0.001 0.000 0.164 48 G C -0.335 174.594 174.900 0.049 0.000 1.326 48 G CA -0.037 45.107 45.100 0.073 0.000 1.020 48 G HN 0.087 nan 8.290 nan 0.000 0.586 49 V N -2.675 117.276 119.914 0.061 0.000 3.141 49 V HA 0.812 4.932 4.120 -0.001 0.000 0.312 49 V C -0.856 175.254 176.094 0.026 0.000 1.157 49 V CA -1.203 61.110 62.300 0.022 0.000 1.041 49 V CB 1.785 33.596 31.823 -0.021 0.000 1.071 49 V HN 0.599 nan 8.190 nan 0.000 0.441 50 I N 0.880 121.428 120.570 -0.036 0.000 2.545 50 I HA 0.803 4.972 4.170 -0.001 0.000 0.292 50 I C 0.546 176.575 176.117 -0.146 0.000 1.040 50 I CA -0.340 60.881 61.300 -0.132 0.000 1.068 50 I CB 2.047 39.961 38.000 -0.143 0.000 1.251 50 I HN 1.020 nan 8.210 nan 0.000 0.424 51 G N 2.349 111.032 108.800 -0.195 0.000 3.013 51 G HA2 0.628 4.588 3.960 -0.001 0.000 0.278 51 G HA3 0.628 4.588 3.960 -0.001 0.000 0.278 51 G C -1.512 173.291 174.900 -0.162 0.000 1.353 51 G CA -0.492 44.517 45.100 -0.152 0.000 1.043 51 G HN 0.451 nan 8.290 nan 0.000 0.523 52 S N -1.079 114.558 115.700 -0.105 0.000 2.594 52 S HA 0.648 5.117 4.470 -0.001 0.000 0.296 52 S C -0.991 173.578 174.600 -0.052 0.000 1.124 52 S CA -0.460 57.688 58.200 -0.087 0.000 1.011 52 S CB 1.536 64.699 63.200 -0.063 0.000 1.016 52 S HN 0.784 nan 8.310 nan 0.000 0.485 53 S N 4.969 120.638 115.700 -0.052 0.000 2.605 53 S HA 0.583 5.053 4.470 -0.001 0.000 0.308 53 S C -0.540 173.969 174.600 -0.152 0.000 1.113 53 S CA -0.701 57.474 58.200 -0.043 0.000 1.049 53 S CB 0.354 63.609 63.200 0.091 0.000 1.001 53 S HN 0.748 nan 8.310 nan 0.000 0.480 54 L N 3.678 124.837 121.223 -0.107 0.000 2.461 54 L HA 0.280 4.619 4.340 -0.001 0.000 0.272 54 L C 1.582 178.169 176.870 -0.471 0.000 1.197 54 L CA -0.054 54.723 54.840 -0.106 0.000 0.836 54 L CB 0.691 42.847 42.059 0.163 0.000 1.105 54 L HN 0.890 nan 8.230 nan 0.000 0.477 55 T N -3.693 110.644 114.554 -0.362 0.000 3.043 55 T HA 0.122 4.471 4.350 -0.001 0.000 0.272 55 T C 0.286 174.900 174.700 -0.144 0.000 0.990 55 T CA -0.461 61.333 62.100 -0.512 0.000 0.897 55 T CB -0.410 68.227 68.868 -0.385 0.000 1.111 55 T HN 0.682 nan 8.240 nan 0.000 0.529 56 H N 1.745 120.923 119.070 0.181 0.000 2.771 56 H HA 0.530 5.085 4.556 -0.001 0.000 0.364 56 H C -2.623 172.929 175.328 0.374 0.000 1.133 56 H CA -1.916 54.293 56.048 0.267 0.000 1.423 56 H CB -0.224 29.685 29.762 0.244 0.000 1.425 56 H HN 0.031 nan 8.280 nan 0.000 0.606 57 P HA -0.010 nan 4.420 nan 0.000 0.286 57 P C 0.452 178.013 177.300 0.435 0.000 1.293 57 P CA -0.338 62.976 63.100 0.358 0.000 0.770 57 P CB 0.911 32.750 31.700 0.232 0.000 1.206 58 E N -0.137 120.250 120.200 0.312 0.000 2.110 58 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 58 E C 0.424 177.080 176.600 0.092 0.000 0.988 58 E CA 1.439 57.954 56.400 0.192 0.000 0.804 58 E CB -0.061 29.715 29.700 0.126 0.000 0.745 58 E HN 0.467 nan 8.360 nan 0.000 0.458 59 D N -1.213 119.246 120.400 0.098 0.000 2.673 59 D HA 0.297 4.937 4.640 -0.001 0.000 0.278 59 D C -0.513 175.812 176.300 0.042 0.000 1.393 59 D CA -0.182 53.842 54.000 0.040 0.000 0.805 59 D CB 0.521 41.335 40.800 0.024 0.000 1.110 59 D HN 0.126 nan 8.370 nan 0.000 0.476 60 A N -0.425 122.439 122.820 0.074 0.000 2.602 60 A HA 0.600 4.920 4.320 -0.001 0.000 0.290 60 A C 0.234 177.855 177.584 0.063 0.000 1.114 60 A CA -0.736 51.334 52.037 0.055 0.000 0.683 60 A CB 0.494 19.539 19.000 0.075 0.000 1.281 60 A HN 0.011 nan 8.150 nan 0.000 0.416 61 I N -0.193 120.403 120.570 0.043 0.000 2.852 61 I HA 0.050 4.219 4.170 -0.001 0.000 0.264 61 I C -0.197 176.021 176.117 0.168 0.000 1.179 61 I CA 0.914 62.240 61.300 0.043 0.000 1.480 61 I CB 0.341 38.336 38.000 -0.009 0.000 1.111 61 I HN 0.278 nan 8.210 nan 0.000 0.441 62 V N 1.373 121.380 119.914 0.155 0.000 2.540 62 V HA 0.372 4.492 4.120 -0.001 0.000 0.302 62 V C -0.238 175.950 176.094 0.157 0.000 1.035 62 V CA -0.691 61.711 62.300 0.170 0.000 0.873 62 V CB 2.626 34.533 31.823 0.140 0.000 0.992 62 V HN -0.151 nan 8.190 nan 0.000 0.428 63 V N 4.321 124.333 119.914 0.163 0.000 2.834 63 V HA 0.578 4.697 4.120 -0.001 0.000 0.313 63 V C -0.498 175.682 176.094 0.143 0.000 1.060 63 V CA -0.364 62.026 62.300 0.150 0.000 0.989 63 V CB 2.052 33.966 31.823 0.153 0.000 1.041 63 V HN 1.098 nan 8.190 nan 0.000 0.459 64 D N 2.280 122.763 120.400 0.139 0.000 2.384 64 D HA 0.191 4.830 4.640 -0.001 0.000 0.250 64 D C 0.658 177.090 176.300 0.220 0.000 1.029 64 D CA -0.289 53.814 54.000 0.170 0.000 0.990 64 D CB 1.982 42.841 40.800 0.098 0.000 1.175 64 D HN 0.365 nan 8.370 nan 0.000 0.532 65 S N -0.385 115.494 115.700 0.299 0.000 2.423 65 S HA -0.066 4.404 4.470 -0.001 0.000 0.231 65 S C 1.878 176.584 174.600 0.177 0.000 1.014 65 S CA 1.231 59.608 58.200 0.295 0.000 0.965 65 S CB -0.547 62.860 63.200 0.345 0.000 0.785 65 S HN 0.565 nan 8.310 nan 0.000 0.495 66 A N 0.185 123.071 122.820 0.108 0.000 1.855 66 A HA -0.105 4.215 4.320 -0.001 0.000 0.215 66 A C 2.560 180.166 177.584 0.037 0.000 1.191 66 A CA 1.489 53.547 52.037 0.036 0.000 0.613 66 A CB -1.588 17.388 19.000 -0.040 0.000 0.829 66 A HN 0.703 nan 8.150 nan 0.000 0.442 67 C N -0.965 118.373 119.300 0.063 0.000 2.432 67 C HA -0.072 4.388 4.460 -0.001 0.000 0.277 67 C C 3.127 178.167 174.990 0.084 0.000 1.249 67 C CA 1.797 60.860 59.018 0.075 0.000 1.725 67 C CB -1.070 26.733 27.740 0.106 0.000 2.028 67 C HN 0.595 nan 8.230 nan 0.000 0.477 68 S N 0.081 115.857 115.700 0.126 0.000 2.356 68 S HA -0.088 4.381 4.470 -0.001 0.000 0.223 68 S C 2.148 176.815 174.600 0.111 0.000 1.032 68 S CA 1.858 60.153 58.200 0.159 0.000 1.005 68 S CB -0.525 62.819 63.200 0.240 0.000 0.867 68 S HN 0.815 nan 8.310 nan 0.000 0.449 69 A N 0.294 123.169 122.820 0.091 0.000 1.933 69 A HA -0.043 4.277 4.320 -0.001 0.000 0.218 69 A C 2.338 179.814 177.584 -0.181 0.000 1.175 69 A CA 2.164 54.216 52.037 0.024 0.000 0.628 69 A CB -1.470 17.604 19.000 0.123 0.000 0.814 69 A HN 0.578 nan 8.150 nan 0.000 0.444 70 T N 0.275 114.754 114.554 -0.125 0.000 2.720 70 T HA -0.175 4.174 4.350 -0.001 0.000 0.268 70 T C 1.938 176.552 174.700 -0.142 0.000 1.037 70 T CA 1.882 63.883 62.100 -0.165 0.000 1.144 70 T CB -0.336 68.487 68.868 -0.074 0.000 0.864 70 T HN 0.485 nan 8.240 nan 0.000 0.444 71 M N 0.389 119.950 119.600 -0.065 0.000 2.132 71 M HA 0.022 4.502 4.480 -0.001 0.000 0.263 71 M C 2.220 178.459 176.300 -0.100 0.000 1.065 71 M CA 1.446 56.712 55.300 -0.056 0.000 1.122 71 M CB -0.611 31.984 32.600 -0.009 0.000 1.365 71 M HN 0.189 nan 8.290 nan 0.000 0.411 72 L N -0.179 120.971 121.223 -0.121 0.000 2.131 72 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 72 L C 2.659 179.454 176.870 -0.124 0.000 1.092 72 L CA 0.918 55.686 54.840 -0.120 0.000 0.759 72 L CB -0.684 41.334 42.059 -0.068 0.000 0.903 72 L HN 0.294 nan 8.230 nan 0.000 0.435 73 A N -0.812 121.794 122.820 -0.358 0.000 2.132 73 A HA -0.058 4.261 4.320 -0.001 0.000 0.213 73 A C 2.154 179.585 177.584 -0.256 0.000 1.154 73 A CA 1.459 53.176 52.037 -0.534 0.000 0.753 73 A CB -0.331 17.961 19.000 -1.181 0.000 0.826 73 A HN 0.473 nan 8.150 nan 0.000 0.469 74 T N -6.464 107.988 114.554 -0.170 0.000 2.964 74 T HA 0.417 4.767 4.350 -0.001 0.000 0.250 74 T C 1.370 176.039 174.700 -0.051 0.000 0.982 74 T CA 1.138 63.183 62.100 -0.092 0.000 0.959 74 T CB 0.177 69.008 68.868 -0.063 0.000 1.141 74 T HN 1.628 nan 8.240 nan 0.000 0.494 75 G N 2.388 111.158 108.800 -0.050 0.000 2.147 75 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.244 75 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.244 75 G C -0.005 174.887 174.900 -0.014 0.000 1.005 75 G CA 0.384 45.469 45.100 -0.026 0.000 0.713 75 G HN 1.175 nan 8.290 nan 0.000 0.515 76 I N -3.973 116.589 120.570 -0.013 0.000 3.002 76 I HA 0.813 4.982 4.170 -0.001 0.000 0.310 76 I C 0.235 176.360 176.117 0.014 0.000 1.087 76 I CA -2.253 59.066 61.300 0.031 0.000 1.017 76 I CB 1.192 39.235 38.000 0.071 0.000 1.226 76 I HN -0.091 nan 8.210 nan 0.000 0.443 77 Y N 1.854 122.193 120.300 0.066 0.000 2.480 77 Y HA 0.451 5.001 4.550 -0.001 0.000 0.338 77 Y C 0.985 176.927 175.900 0.069 0.000 1.220 77 Y CA 0.821 58.967 58.100 0.077 0.000 1.430 77 Y CB 0.968 39.443 38.460 0.025 0.000 1.311 77 Y HN 0.720 nan 8.280 nan 0.000 0.575 78 S N 0.042 115.882 115.700 0.234 0.000 2.819 78 S HA 0.670 5.140 4.470 -0.001 0.000 0.299 78 S C -0.891 173.805 174.600 0.161 0.000 1.192 78 S CA -0.728 57.569 58.200 0.161 0.000 0.847 78 S CB 1.008 64.270 63.200 0.103 0.000 1.224 78 S HN 0.519 nan 8.310 nan 0.000 0.537 79 S N 0.814 116.587 115.700 0.121 0.000 2.745 79 S HA 0.581 5.051 4.470 -0.001 0.000 0.292 79 S C -0.633 174.031 174.600 0.106 0.000 1.133 79 S CA -0.600 57.668 58.200 0.114 0.000 0.998 79 S CB 1.418 64.674 63.200 0.093 0.000 1.087 79 S HN 0.663 nan 8.310 nan 0.000 0.551 80 S N 1.727 117.491 115.700 0.106 0.000 2.533 80 S HA 0.137 4.606 4.470 -0.001 0.000 0.282 80 S C 0.528 175.184 174.600 0.094 0.000 1.304 80 S CA -0.022 58.239 58.200 0.101 0.000 1.063 80 S CB -0.108 63.152 63.200 0.101 0.000 0.881 80 S HN 0.758 nan 8.310 nan 0.000 0.493 81 E N -1.967 118.268 120.200 0.057 0.000 3.496 81 E HA -0.195 4.154 4.350 -0.001 0.000 0.300 81 E C 0.115 176.668 176.600 -0.078 0.000 0.877 81 E CA 0.619 56.999 56.400 -0.033 0.000 1.050 81 E CB -1.994 27.699 29.700 -0.012 0.000 1.532 81 E HN 0.613 nan 8.360 nan 0.000 0.447 82 V N -1.484 118.431 119.914 0.002 0.000 3.036 82 V HA 0.514 4.633 4.120 -0.001 0.000 0.308 82 V C 0.489 176.562 176.094 -0.036 0.000 1.070 82 V CA -0.661 61.641 62.300 0.003 0.000 1.056 82 V CB 1.392 33.240 31.823 0.042 0.000 1.084 82 V HN 0.094 nan 8.190 nan 0.000 0.471 83 I N 3.207 123.749 120.570 -0.047 0.000 2.448 83 I HA 0.528 4.698 4.170 -0.001 0.000 0.281 83 I C 1.012 177.064 176.117 -0.108 0.000 1.027 83 I CA 0.545 61.791 61.300 -0.089 0.000 1.111 83 I CB 0.271 38.205 38.000 -0.111 0.000 1.236 83 I HN 1.165 nan 8.210 nan 0.000 0.452 84 G N 6.534 115.265 108.800 -0.115 0.000 2.198 84 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.260 84 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.260 84 G C -0.022 174.938 174.900 0.100 0.000 1.025 84 G CA 0.795 45.840 45.100 -0.092 0.000 0.769 84 G HN 0.741 nan 8.290 nan 0.000 0.507 85 I N -3.385 117.220 120.570 0.057 0.000 2.969 85 I HA 0.791 4.961 4.170 -0.001 0.000 0.307 85 I C 0.028 176.192 176.117 0.077 0.000 1.149 85 I CA -1.423 59.935 61.300 0.096 0.000 1.008 85 I CB 1.843 39.908 38.000 0.107 0.000 1.232 85 I HN 0.039 nan 8.210 nan 0.000 0.435 86 D N 2.063 122.514 120.400 0.085 0.000 2.433 86 D HA 0.211 4.851 4.640 -0.001 0.000 0.255 86 D C 0.753 177.101 176.300 0.080 0.000 1.226 86 D CA -0.475 53.572 54.000 0.079 0.000 1.015 86 D CB 0.851 41.694 40.800 0.072 0.000 1.091 86 D HN 0.525 nan 8.370 nan 0.000 0.527 87 S N -1.049 114.699 115.700 0.079 0.000 2.419 87 S HA -0.164 4.306 4.470 -0.001 0.000 0.233 87 S C 1.690 176.327 174.600 0.062 0.000 1.016 87 S CA 0.990 59.235 58.200 0.074 0.000 0.974 87 S CB -0.311 62.932 63.200 0.072 0.000 0.786 87 S HN 0.488 nan 8.310 nan 0.000 0.492 88 Q N -0.298 119.535 119.800 0.056 0.000 2.369 88 Q HA 0.131 4.470 4.340 -0.001 0.000 0.206 88 Q C 1.496 177.527 176.000 0.053 0.000 0.963 88 Q CA 0.623 56.454 55.803 0.046 0.000 0.894 88 Q CB 0.052 28.812 28.738 0.036 0.000 0.965 88 Q HN 0.637 nan 8.270 nan 0.000 0.475 89 G N 0.829 109.672 108.800 0.071 0.000 2.159 89 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.227 89 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.227 89 G C -0.290 174.683 174.900 0.123 0.000 0.986 89 G CA -0.359 44.798 45.100 0.095 0.000 0.651 89 G HN 0.201 nan 8.290 nan 0.000 0.523 90 N N 1.066 119.822 118.700 0.094 0.000 2.513 90 N HA 0.198 4.937 4.740 -0.001 0.000 0.268 90 N C 0.193 175.811 175.510 0.179 0.000 1.180 90 N CA 0.015 53.116 53.050 0.086 0.000 0.948 90 N CB 0.257 38.768 38.487 0.040 0.000 1.083 90 N HN 0.491 nan 8.380 nan 0.000 0.455 91 H N -0.099 118.947 119.070 -0.039 0.000 2.848 91 H HA 0.201 4.756 4.556 -0.001 0.000 0.341 91 H C 0.185 175.455 175.328 -0.097 0.000 1.060 91 H CA -0.492 55.493 56.048 -0.105 0.000 1.444 91 H CB 0.808 30.394 29.762 -0.294 0.000 1.446 91 H HN 0.262 nan 8.280 nan 0.000 0.583 92 V N 0.695 120.648 119.914 0.064 0.000 2.656 92 V HA 0.259 4.379 4.120 -0.001 0.000 0.307 92 V C -0.117 176.017 176.094 0.067 0.000 1.051 92 V CA -1.250 61.077 62.300 0.045 0.000 0.893 92 V CB 1.939 33.794 31.823 0.054 0.000 0.999 92 V HN 0.789 nan 8.190 nan 0.000 0.426 93 E N 2.784 123.002 120.200 0.031 0.000 2.376 93 E HA 0.342 4.692 4.350 -0.001 0.000 0.266 93 E C 0.409 177.031 176.600 0.038 0.000 1.009 93 E CA 0.039 56.468 56.400 0.048 0.000 0.902 93 E CB 0.823 30.531 29.700 0.014 0.000 0.972 93 E HN 1.070 nan 8.360 nan 0.000 0.439 94 T N 0.512 115.097 114.554 0.052 0.000 2.881 94 T HA 0.085 4.434 4.350 -0.001 0.000 0.278 94 T C 1.084 175.735 174.700 -0.080 0.000 0.982 94 T CA -0.483 61.592 62.100 -0.041 0.000 0.989 94 T CB 1.517 70.351 68.868 -0.058 0.000 1.058 94 T HN 0.352 nan 8.240 nan 0.000 0.529 95 V N 1.706 121.525 119.914 -0.159 0.000 2.469 95 V HA -0.051 4.069 4.120 -0.001 0.000 0.251 95 V C 2.231 178.079 176.094 -0.409 0.000 1.064 95 V CA 2.051 64.173 62.300 -0.297 0.000 1.066 95 V CB -0.923 30.651 31.823 -0.416 0.000 0.667 95 V HN 0.848 nan 8.190 nan 0.000 0.461 96 L N -0.220 120.831 121.223 -0.287 0.000 2.056 96 L HA -0.148 4.191 4.340 -0.001 0.000 0.207 96 L C 2.524 179.404 176.870 0.016 0.000 1.078 96 L CA 2.153 56.936 54.840 -0.095 0.000 0.749 96 L CB -0.378 41.802 42.059 0.202 0.000 0.901 96 L HN 0.391 nan 8.230 nan 0.000 0.433 97 E N -0.245 119.974 120.200 0.031 0.000 2.110 97 E HA -0.288 4.062 4.350 -0.001 0.000 0.193 97 E C 2.078 178.693 176.600 0.024 0.000 0.988 97 E CA 1.316 57.749 56.400 0.056 0.000 0.804 97 E CB -0.080 29.671 29.700 0.085 0.000 0.745 97 E HN 0.402 nan 8.360 nan 0.000 0.458 98 K N 0.842 121.232 120.400 -0.016 0.000 2.026 98 K HA -0.168 4.152 4.320 -0.001 0.000 0.208 98 K C 2.191 178.785 176.600 -0.010 0.000 1.048 98 K CA 1.202 57.475 56.287 -0.023 0.000 0.929 98 K CB -0.133 32.335 32.500 -0.054 0.000 0.713 98 K HN 0.084 nan 8.250 nan 0.000 0.439 99 A N 1.762 124.569 122.820 -0.022 0.000 1.883 99 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 99 A C 2.079 179.701 177.584 0.064 0.000 1.186 99 A CA 2.041 54.098 52.037 0.034 0.000 0.624 99 A CB -0.571 18.482 19.000 0.088 0.000 0.822 99 A HN 0.430 nan 8.150 nan 0.000 0.444 100 K N -0.179 120.263 120.400 0.069 0.000 2.057 100 K HA -0.178 4.142 4.320 -0.001 0.000 0.207 100 K C 2.000 178.631 176.600 0.052 0.000 1.049 100 K CA 1.797 58.128 56.287 0.073 0.000 0.931 100 K CB -0.188 32.361 32.500 0.082 0.000 0.714 100 K HN 0.444 nan 8.250 nan 0.000 0.440 101 K N -0.164 120.261 120.400 0.041 0.000 2.147 101 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 101 K C 1.781 178.397 176.600 0.027 0.000 1.049 101 K CA 1.128 57.434 56.287 0.031 0.000 0.936 101 K CB -0.035 32.479 32.500 0.023 0.000 0.722 101 K HN 0.202 nan 8.250 nan 0.000 0.446 102 A N 0.228 123.065 122.820 0.028 0.000 2.235 102 A HA 0.155 4.475 4.320 -0.001 0.000 0.208 102 A C 1.395 179.000 177.584 0.035 0.000 1.172 102 A CA 0.890 52.943 52.037 0.027 0.000 0.786 102 A CB -0.430 18.584 19.000 0.023 0.000 0.804 102 A HN 0.425 nan 8.150 nan 0.000 0.479 103 G N -0.809 108.016 108.800 0.042 0.000 2.176 103 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.253 103 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.253 103 G C 0.213 175.149 174.900 0.061 0.000 0.979 103 G CA 0.424 45.551 45.100 0.045 0.000 0.641 103 G HN 0.585 nan 8.290 nan 0.000 0.530 104 K N 0.565 121.012 120.400 0.079 0.000 2.126 104 K HA 0.669 4.988 4.320 -0.001 0.000 0.257 104 K C 0.822 177.497 176.600 0.126 0.000 1.007 104 K CA 0.029 56.385 56.287 0.115 0.000 0.928 104 K CB 1.152 33.734 32.500 0.136 0.000 1.013 104 K HN 0.477 nan 8.250 nan 0.000 0.473 105 A N 1.271 124.183 122.820 0.153 0.000 2.351 105 A HA 0.345 4.665 4.320 -0.001 0.000 0.257 105 A C -0.024 177.671 177.584 0.186 0.000 1.087 105 A CA -0.209 51.903 52.037 0.126 0.000 0.798 105 A CB 0.213 19.257 19.000 0.073 0.000 1.033 105 A HN 0.738 nan 8.150 nan 0.000 0.488 106 T N -1.148 113.488 114.554 0.137 0.000 2.912 106 T HA 0.760 5.109 4.350 -0.001 0.000 0.299 106 T C -0.279 174.479 174.700 0.097 0.000 1.052 106 T CA -0.044 62.167 62.100 0.186 0.000 0.996 106 T CB 1.816 70.814 68.868 0.217 0.000 1.070 106 T HN 1.619 nan 8.240 nan 0.000 0.465 107 G N 1.225 110.063 108.800 0.063 0.000 2.696 107 G HA2 0.672 4.632 3.960 -0.001 0.000 0.295 107 G HA3 0.672 4.632 3.960 -0.001 0.000 0.295 107 G C -1.814 173.046 174.900 -0.066 0.000 1.398 107 G CA -1.030 44.053 45.100 -0.029 0.000 0.920 107 G HN 0.875 nan 8.290 nan 0.000 0.492 108 L N 0.925 122.110 121.223 -0.063 0.000 2.410 108 L HA 0.683 5.023 4.340 -0.001 0.000 0.270 108 L C -0.774 176.041 176.870 -0.090 0.000 0.983 108 L CA -1.060 53.726 54.840 -0.090 0.000 0.822 108 L CB 2.450 44.495 42.059 -0.023 0.000 1.285 108 L HN 0.286 nan 8.230 nan 0.000 0.409 109 V N 1.575 121.422 119.914 -0.111 0.000 2.638 109 V HA 0.729 4.848 4.120 -0.001 0.000 0.306 109 V C -0.567 175.474 176.094 -0.089 0.000 1.052 109 V CA -0.393 61.851 62.300 -0.093 0.000 0.885 109 V CB 2.129 33.885 31.823 -0.112 0.000 0.999 109 V HN 0.790 nan 8.190 nan 0.000 0.424 110 S N 1.657 117.311 115.700 -0.076 0.000 2.537 110 S HA 0.388 4.858 4.470 -0.001 0.000 0.271 110 S C -0.374 174.154 174.600 -0.119 0.000 1.148 110 S CA -0.357 57.780 58.200 -0.105 0.000 0.868 110 S CB 1.951 65.100 63.200 -0.084 0.000 1.115 110 S HN 0.948 nan 8.310 nan 0.000 0.461 111 D N 2.120 122.405 120.400 -0.192 0.000 2.319 111 D HA 0.085 4.724 4.640 -0.001 0.000 0.230 111 D C 1.268 177.403 176.300 -0.276 0.000 1.094 111 D CA 0.545 54.417 54.000 -0.213 0.000 0.856 111 D CB -0.205 40.444 40.800 -0.251 0.000 0.915 111 D HN 0.543 nan 8.370 nan 0.000 0.517 112 T N -1.992 112.386 114.554 -0.293 0.000 2.813 112 T HA 0.354 4.704 4.350 -0.001 0.000 0.188 112 T C 0.668 175.364 174.700 -0.008 0.000 0.698 112 T CA -0.515 61.400 62.100 -0.310 0.000 2.089 112 T CB 0.486 69.016 68.868 -0.563 0.000 2.834 112 T HN -0.091 nan 8.240 nan 0.000 0.370 113 R N 0.147 120.715 120.500 0.112 0.000 2.803 113 R HA 0.561 4.900 4.340 -0.001 0.000 0.276 113 R C 0.679 177.093 176.300 0.191 0.000 0.978 113 R CA -0.815 55.405 56.100 0.201 0.000 0.939 113 R CB 1.662 32.155 30.300 0.322 0.000 1.179 113 R HN 0.290 nan 8.270 nan 0.000 0.472 114 L N 1.736 123.061 121.223 0.171 0.000 2.127 114 L HA -0.141 4.199 4.340 -0.001 0.000 0.211 114 L C 1.734 178.747 176.870 0.239 0.000 1.089 114 L CA 2.238 57.175 54.840 0.162 0.000 0.757 114 L CB -0.370 41.740 42.059 0.084 0.000 0.899 114 L HN 0.877 nan 8.230 nan 0.000 0.434 115 T N -4.146 110.574 114.554 0.276 0.000 3.107 115 T HA 0.036 4.386 4.350 -0.001 0.000 0.249 115 T C 1.033 175.789 174.700 0.093 0.000 1.096 115 T CA -0.368 61.820 62.100 0.147 0.000 1.012 115 T CB -0.706 68.171 68.868 0.014 0.000 0.977 115 T HN 0.317 nan 8.240 nan 0.000 0.527 116 H N 0.709 119.835 119.070 0.092 0.000 2.745 116 H HA 0.417 4.973 4.556 -0.001 0.000 0.373 116 H C 1.697 177.074 175.328 0.082 0.000 1.226 116 H CA 0.534 56.641 56.048 0.099 0.000 1.435 116 H CB 1.203 31.056 29.762 0.151 0.000 1.461 116 H HN 0.244 nan 8.280 nan 0.000 0.616 117 A N 2.604 125.451 122.820 0.045 0.000 1.933 117 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 117 A C 2.384 180.059 177.584 0.153 0.000 1.175 117 A CA 2.045 54.115 52.037 0.056 0.000 0.628 117 A CB -0.741 18.278 19.000 0.031 0.000 0.814 117 A HN 0.796 nan 8.150 nan 0.000 0.444 118 T N 0.568 115.265 114.554 0.238 0.000 2.668 118 T HA -0.071 4.279 4.350 -0.001 0.000 0.262 118 T C -0.161 174.726 174.700 0.313 0.000 1.045 118 T CA 1.601 63.846 62.100 0.242 0.000 1.152 118 T CB -1.187 67.787 68.868 0.178 0.000 0.864 118 T HN 0.486 nan 8.240 nan 0.000 0.419 119 P HA 0.061 nan 4.420 nan 0.000 0.219 119 P C 1.474 178.936 177.300 0.269 0.000 1.150 119 P CA 1.227 64.464 63.100 0.229 0.000 0.814 119 P CB -0.213 31.559 31.700 0.119 0.000 0.787 120 A N 0.527 123.453 122.820 0.176 0.000 1.940 120 A HA -0.162 4.157 4.320 -0.001 0.000 0.219 120 A C 2.412 180.017 177.584 0.035 0.000 1.176 120 A CA 2.131 54.220 52.037 0.086 0.000 0.631 120 A CB -1.646 17.366 19.000 0.021 0.000 0.814 120 A HN 0.197 nan 8.150 nan 0.000 0.446 121 S N -1.216 114.512 115.700 0.046 0.000 2.507 121 S HA -0.002 4.467 4.470 -0.001 0.000 0.235 121 S C 1.082 175.521 174.600 -0.268 0.000 0.988 121 S CA 0.830 58.951 58.200 -0.132 0.000 0.944 121 S CB -0.459 62.644 63.200 -0.163 0.000 0.762 121 S HN 0.589 nan 8.310 nan 0.000 0.526 122 F N 0.437 120.371 119.950 -0.027 0.000 2.754 122 F HA 0.361 4.888 4.527 -0.000 0.000 0.297 122 F C 1.603 177.380 175.800 -0.039 0.000 1.122 122 F CA 0.301 58.298 58.000 -0.005 0.000 1.400 122 F CB 0.291 39.349 39.000 0.096 0.000 1.117 122 F HN 0.186 nan 8.300 nan 0.000 0.587 123 A N -0.702 122.140 122.820 0.036 0.000 2.596 123 A HA 0.768 5.088 4.320 -0.001 0.000 0.276 123 A C 0.135 177.631 177.584 -0.147 0.000 0.962 123 A CA 0.321 52.358 52.037 0.000 0.000 1.010 123 A CB -0.464 18.604 19.000 0.113 0.000 1.220 123 A HN 0.060 nan 8.150 nan 0.000 0.549 124 A N 0.031 122.621 122.820 -0.385 0.000 2.593 124 A HA 0.794 5.114 4.320 -0.001 0.000 0.290 124 A C -1.415 175.670 177.584 -0.833 0.000 1.126 124 A CA -0.499 51.284 52.037 -0.423 0.000 0.695 124 A CB 0.960 19.846 19.000 -0.190 0.000 1.290 124 A HN 0.371 nan 8.150 nan 0.000 0.414 125 H N 1.343 120.283 119.070 -0.216 0.000 3.162 125 H HA 0.423 4.978 4.556 -0.001 0.000 0.309 125 H C -1.271 173.872 175.328 -0.309 0.000 1.156 125 H CA -0.361 55.444 56.048 -0.406 0.000 1.586 125 H CB 1.262 30.462 29.762 -0.936 0.000 1.740 125 H HN 0.614 nan 8.280 nan 0.000 0.525 126 Q N 2.150 121.895 119.800 -0.092 0.000 2.416 126 Q HA 0.236 4.576 4.340 -0.001 0.000 0.281 126 Q C -2.078 173.935 176.000 0.022 0.000 1.067 126 Q CA -1.785 54.007 55.803 -0.019 0.000 0.809 126 Q CB 3.413 32.128 28.738 -0.038 0.000 1.418 126 Q HN 0.271 nan 8.270 nan 0.000 0.411 127 P HA -0.097 nan 4.420 nan 0.000 0.221 127 P C -0.031 177.351 177.300 0.138 0.000 1.150 127 P CA 1.321 64.477 63.100 0.093 0.000 0.800 127 P CB 0.867 32.621 31.700 0.090 0.000 0.787 128 H N -0.768 118.296 119.070 -0.009 0.000 2.974 128 H HA 0.197 4.753 4.556 -0.001 0.000 0.366 128 H C 1.115 176.423 175.328 -0.033 0.000 1.155 128 H CA -0.568 55.472 56.048 -0.014 0.000 1.186 128 H CB 2.115 31.867 29.762 -0.016 0.000 1.799 128 H HN -0.202 nan 8.280 nan 0.000 0.541 129 R N 1.082 121.247 120.500 -0.558 0.000 2.200 129 R HA -0.107 4.233 4.340 -0.001 0.000 0.234 129 R C 1.171 177.337 176.300 -0.224 0.000 1.127 129 R CA 1.856 57.742 56.100 -0.356 0.000 0.989 129 R CB -0.219 29.856 30.300 -0.375 0.000 0.869 129 R HN 0.358 nan 8.270 nan 0.000 0.459 130 S N 1.115 116.764 115.700 -0.084 0.000 2.515 130 S HA 0.041 4.510 4.470 -0.001 0.000 0.231 130 S C 1.270 175.860 174.600 -0.017 0.000 0.987 130 S CA 0.181 58.406 58.200 0.041 0.000 0.936 130 S CB -0.163 63.174 63.200 0.228 0.000 0.766 130 S HN 0.314 nan 8.310 nan 0.000 0.528 131 L N 1.991 123.198 121.223 -0.025 0.000 2.583 131 L HA 0.295 4.635 4.340 -0.001 0.000 0.239 131 L C 1.333 178.119 176.870 -0.140 0.000 1.347 131 L CA -0.124 54.683 54.840 -0.056 0.000 1.246 131 L CB -0.452 41.594 42.059 -0.021 0.000 1.496 131 L HN 0.305 nan 8.230 nan 0.000 0.413 132 E N 0.180 120.239 120.200 -0.235 0.000 2.150 132 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 132 E C 1.358 177.709 176.600 -0.414 0.000 0.985 132 E CA 0.698 56.836 56.400 -0.436 0.000 0.814 132 E CB 0.206 29.391 29.700 -0.858 0.000 0.752 132 E HN 0.620 nan 8.360 nan 0.000 0.466 133 N N 1.098 119.659 118.700 -0.232 0.000 2.142 133 N HA -0.156 4.583 4.740 -0.001 0.000 0.186 133 N C 1.754 177.150 175.510 -0.188 0.000 1.023 133 N CA 1.048 54.014 53.050 -0.141 0.000 0.852 133 N CB -0.155 38.315 38.487 -0.028 0.000 0.998 133 N HN 0.298 nan 8.380 nan 0.000 0.424 134 Q N 0.402 120.117 119.800 -0.141 0.000 2.119 134 Q HA 0.056 4.395 4.340 -0.001 0.000 0.201 134 Q C 2.160 178.073 176.000 -0.144 0.000 0.972 134 Q CA 0.662 56.394 55.803 -0.118 0.000 0.847 134 Q CB -0.010 28.688 28.738 -0.067 0.000 0.903 134 Q HN 0.380 nan 8.270 nan 0.000 0.433 135 I N 0.815 121.286 120.570 -0.165 0.000 2.208 135 I HA -0.312 3.858 4.170 -0.001 0.000 0.245 135 I C 2.449 178.442 176.117 -0.206 0.000 1.097 135 I CA 1.033 62.239 61.300 -0.157 0.000 1.363 135 I CB -0.428 37.485 38.000 -0.145 0.000 1.051 135 I HN 0.172 nan 8.210 nan 0.000 0.413 136 A N -0.236 122.364 122.820 -0.366 0.000 1.883 136 A HA -0.278 4.041 4.320 -0.001 0.000 0.217 136 A C 2.495 179.708 177.584 -0.619 0.000 1.186 136 A CA 2.373 53.956 52.037 -0.756 0.000 0.624 136 A CB -0.939 17.250 19.000 -1.351 0.000 0.822 136 A HN 0.410 nan 8.150 nan 0.000 0.444 137 S N -0.404 115.060 115.700 -0.393 0.000 2.359 137 S HA -0.213 4.257 4.470 -0.001 0.000 0.224 137 S C 1.729 176.262 174.600 -0.112 0.000 1.035 137 S CA 1.847 59.914 58.200 -0.221 0.000 1.018 137 S CB -0.562 62.551 63.200 -0.144 0.000 0.876 137 S HN 0.571 nan 8.310 nan 0.000 0.448 138 D N 0.996 121.343 120.400 -0.089 0.000 2.104 138 D HA -0.082 4.557 4.640 -0.001 0.000 0.194 138 D C 2.018 178.326 176.300 0.012 0.000 0.994 138 D CA 1.325 55.313 54.000 -0.019 0.000 0.830 138 D CB -0.361 40.417 40.800 -0.037 0.000 0.959 138 D HN 0.479 nan 8.370 nan 0.000 0.452 139 M N -0.326 119.277 119.600 0.005 0.000 2.175 139 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 139 M C 2.101 178.492 176.300 0.151 0.000 1.063 139 M CA 0.651 56.013 55.300 0.103 0.000 1.119 139 M CB -0.132 32.583 32.600 0.192 0.000 1.377 139 M HN 0.031 nan 8.290 nan 0.000 0.415 140 L N 0.871 122.171 121.223 0.128 0.000 2.046 140 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 140 L C 2.576 179.524 176.870 0.129 0.000 1.077 140 L CA 2.113 57.037 54.840 0.141 0.000 0.747 140 L CB -0.891 41.236 42.059 0.112 0.000 0.896 140 L HN 0.201 nan 8.230 nan 0.000 0.432 141 A N -1.770 121.105 122.820 0.091 0.000 1.902 141 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 141 A C 2.266 179.922 177.584 0.119 0.000 1.181 141 A CA 2.224 54.319 52.037 0.098 0.000 0.623 141 A CB -1.186 17.859 19.000 0.075 0.000 0.818 141 A HN 0.501 nan 8.150 nan 0.000 0.443 142 T N -0.799 113.830 114.554 0.125 0.000 2.746 142 T HA 0.173 4.523 4.350 -0.001 0.000 0.267 142 T C 1.450 176.242 174.700 0.153 0.000 1.039 142 T CA 1.906 64.088 62.100 0.136 0.000 1.142 142 T CB -0.575 68.371 68.868 0.131 0.000 0.866 142 T HN 1.610 nan 8.240 nan 0.000 0.444 143 G N 1.562 110.477 108.800 0.191 0.000 2.212 143 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.255 143 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.255 143 G C 0.152 175.202 174.900 0.250 0.000 1.062 143 G CA -0.067 45.192 45.100 0.264 0.000 0.815 143 G HN 0.897 nan 8.290 nan 0.000 0.497 144 A N -0.209 122.746 122.820 0.224 0.000 2.561 144 A HA 0.421 4.740 4.320 -0.001 0.000 0.234 144 A C 1.441 179.161 177.584 0.227 0.000 1.055 144 A CA 0.968 53.120 52.037 0.192 0.000 0.756 144 A CB 0.325 19.423 19.000 0.164 0.000 0.986 144 A HN 0.372 nan 8.150 nan 0.000 0.505 145 D N 0.502 120.980 120.400 0.129 0.000 2.117 145 D HA -0.034 4.606 4.640 -0.001 0.000 0.198 145 D C 0.185 176.552 176.300 0.111 0.000 0.982 145 D CA 1.533 55.571 54.000 0.062 0.000 0.828 145 D CB -0.001 40.791 40.800 -0.013 0.000 0.967 145 D HN 0.249 nan 8.370 nan 0.000 0.464 146 V N 1.514 121.469 119.914 0.067 0.000 2.483 146 V HA 0.353 4.473 4.120 -0.001 0.000 0.297 146 V C -0.254 175.839 176.094 -0.002 0.000 1.027 146 V CA -0.359 61.951 62.300 0.016 0.000 0.855 146 V CB 2.001 33.783 31.823 -0.069 0.000 0.995 146 V HN -0.023 nan 8.190 nan 0.000 0.424 147 M N 6.712 126.289 119.600 -0.039 0.000 2.124 147 M HA 0.594 5.073 4.480 -0.001 0.000 0.280 147 M C -1.579 174.629 176.300 -0.153 0.000 0.954 147 M CA -0.204 55.038 55.300 -0.095 0.000 0.958 147 M CB 2.098 34.618 32.600 -0.133 0.000 1.611 147 M HN 0.401 nan 8.290 nan 0.000 0.449 148 L N 2.006 123.175 121.223 -0.090 0.000 2.404 148 L HA 0.794 5.134 4.340 -0.001 0.000 0.272 148 L C -0.317 176.569 176.870 0.026 0.000 0.980 148 L CA -0.277 54.562 54.840 -0.001 0.000 0.836 148 L CB 2.004 44.119 42.059 0.094 0.000 1.238 148 L HN 0.788 nan 8.230 nan 0.000 0.408 149 S N 0.975 116.692 115.700 0.028 0.000 2.694 149 S HA 0.727 5.197 4.470 -0.001 0.000 0.273 149 S C -0.400 174.240 174.600 0.067 0.000 1.180 149 S CA 0.116 58.344 58.200 0.047 0.000 0.864 149 S CB 1.058 64.254 63.200 -0.008 0.000 1.198 149 S HN 0.702 nan 8.310 nan 0.000 0.499 150 G N -0.303 108.536 108.800 0.066 0.000 2.509 150 G HA2 0.509 4.469 3.960 -0.001 0.000 0.269 150 G HA3 0.509 4.469 3.960 -0.001 0.000 0.269 150 G C 0.889 175.826 174.900 0.062 0.000 1.416 150 G CA 0.136 45.282 45.100 0.077 0.000 1.052 150 G HN 2.015 nan 8.290 nan 0.000 0.542 151 G N -1.893 106.962 108.800 0.091 0.000 2.142 151 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.225 151 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.225 151 G C 1.006 176.016 174.900 0.185 0.000 1.015 151 G CA 0.629 45.819 45.100 0.151 0.000 0.716 151 G HN 1.161 nan 8.290 nan 0.000 0.508 152 L N 1.207 122.484 121.223 0.088 0.000 2.129 152 L HA -0.066 4.274 4.340 -0.001 0.000 0.212 152 L C 2.920 179.896 176.870 0.177 0.000 1.087 152 L CA 3.020 57.937 54.840 0.128 0.000 0.757 152 L CB -0.352 41.765 42.059 0.097 0.000 0.896 152 L HN 0.636 nan 8.230 nan 0.000 0.434 153 R N -1.756 118.739 120.500 -0.008 0.000 2.200 153 R HA -0.189 4.151 4.340 -0.001 0.000 0.234 153 R C 1.200 177.369 176.300 -0.219 0.000 1.127 153 R CA 1.735 57.746 56.100 -0.147 0.000 0.989 153 R CB -1.035 28.997 30.300 -0.447 0.000 0.869 153 R HN 0.534 nan 8.270 nan 0.000 0.459 154 H N -1.666 117.498 119.070 0.156 0.000 2.539 154 H HA 0.049 4.604 4.556 -0.001 0.000 0.269 154 H C 0.143 175.336 175.328 -0.225 0.000 0.980 154 H CA 0.332 56.360 56.048 -0.033 0.000 1.152 154 H CB 0.143 29.844 29.762 -0.103 0.000 1.407 154 H HN 0.377 nan 8.280 nan 0.000 0.564 155 W N 1.085 122.412 121.300 0.046 0.000 2.714 155 W HA 0.271 4.931 4.660 -0.000 0.000 0.353 155 W C 0.581 177.107 176.519 0.011 0.000 0.999 155 W CA -0.203 57.159 57.345 0.028 0.000 1.629 155 W CB 0.681 30.151 29.460 0.018 0.000 1.106 155 W HN -0.085 nan 8.180 nan 0.000 0.545 156 I N -1.709 118.956 120.570 0.158 0.000 2.740 156 I HA 0.683 4.853 4.170 -0.001 0.000 0.303 156 I C -2.573 173.571 176.117 0.044 0.000 1.044 156 I CA -3.158 58.195 61.300 0.088 0.000 1.064 156 I CB 1.778 39.810 38.000 0.054 0.000 1.249 156 I HN -0.420 nan 8.210 nan 0.000 0.433 157 P HA 0.098 nan 4.420 nan 0.000 0.272 157 P C 0.124 177.437 177.300 0.022 0.000 1.223 157 P CA -0.350 62.764 63.100 0.022 0.000 0.784 157 P CB 0.830 32.542 31.700 0.021 0.000 0.923 158 K N 1.816 122.226 120.400 0.017 0.000 2.160 158 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 158 K C 1.760 178.371 176.600 0.019 0.000 1.047 158 K CA 2.048 58.346 56.287 0.018 0.000 0.930 158 K CB -0.410 32.098 32.500 0.013 0.000 0.720 158 K HN 0.525 nan 8.250 nan 0.000 0.450 159 S N -0.368 115.343 115.700 0.019 0.000 2.465 159 S HA -0.141 4.329 4.470 -0.001 0.000 0.241 159 S C 1.688 176.308 174.600 0.035 0.000 1.000 159 S CA 1.672 59.884 58.200 0.020 0.000 0.964 159 S CB -0.705 62.506 63.200 0.018 0.000 0.763 159 S HN 0.300 nan 8.310 nan 0.000 0.512 160 T N 3.269 117.852 114.554 0.048 0.000 2.721 160 T HA -0.120 4.229 4.350 -0.001 0.000 0.268 160 T C 1.488 176.250 174.700 0.104 0.000 1.038 160 T CA 1.745 63.902 62.100 0.095 0.000 1.145 160 T CB -0.607 68.299 68.868 0.064 0.000 0.858 160 T HN 0.523 nan 8.240 nan 0.000 0.459 161 N N 1.240 119.962 118.700 0.037 0.000 2.512 161 N HA -0.040 4.699 4.740 -0.001 0.000 0.183 161 N C 1.099 176.576 175.510 -0.056 0.000 1.073 161 N CA 0.542 53.588 53.050 -0.008 0.000 0.911 161 N CB -0.229 38.258 38.487 -0.001 0.000 0.964 161 N HN 0.403 nan 8.380 nan 0.000 0.447 162 D N 0.948 121.324 120.400 -0.041 0.000 2.348 162 D HA -0.027 4.613 4.640 -0.001 0.000 0.216 162 D C 0.282 176.503 176.300 -0.133 0.000 0.970 162 D CA 0.339 54.300 54.000 -0.065 0.000 0.889 162 D CB 0.096 40.878 40.800 -0.030 0.000 0.912 162 D HN 0.211 nan 8.370 nan 0.000 0.524 163 K N -0.456 119.812 120.400 -0.220 0.000 3.071 163 K HA -0.163 4.157 4.320 -0.001 0.000 0.265 163 K C 0.740 177.216 176.600 -0.206 0.000 1.060 163 K CA 0.389 56.374 56.287 -0.503 0.000 0.767 163 K CB -1.539 30.571 32.500 -0.651 0.000 1.241 163 K HN 0.294 nan 8.250 nan 0.000 0.486 164 G N 0.320 109.099 108.800 -0.035 0.000 3.247 164 G HA2 0.144 4.103 3.960 -0.001 0.000 0.163 164 G HA3 0.144 4.103 3.960 -0.001 0.000 0.163 164 G C 0.522 175.462 174.900 0.066 0.000 1.206 164 G CA 0.210 45.315 45.100 0.009 0.000 0.918 164 G HN 0.229 nan 8.290 nan 0.000 0.625 165 E N -0.729 119.496 120.200 0.042 0.000 2.058 165 E HA -0.157 4.193 4.350 -0.001 0.000 0.194 165 E C 2.424 179.052 176.600 0.047 0.000 0.997 165 E CA 2.019 58.443 56.400 0.039 0.000 0.801 165 E CB -0.265 29.449 29.700 0.022 0.000 0.746 165 E HN 0.380 nan 8.360 nan 0.000 0.450 166 T N -0.109 114.474 114.554 0.049 0.000 2.708 166 T HA -0.204 4.145 4.350 -0.001 0.000 0.266 166 T C 1.475 176.200 174.700 0.041 0.000 1.037 166 T CA 1.451 63.572 62.100 0.035 0.000 1.146 166 T CB -0.621 68.266 68.868 0.033 0.000 0.865 166 T HN 0.353 nan 8.240 nan 0.000 0.435 167 Y N 2.134 122.404 120.300 -0.051 0.000 2.114 167 Y HA -0.232 4.317 4.550 -0.001 0.000 0.282 167 Y C 2.287 178.147 175.900 -0.067 0.000 1.165 167 Y CA 1.577 59.636 58.100 -0.068 0.000 1.148 167 Y CB -0.141 38.279 38.460 -0.067 0.000 0.972 167 Y HN 0.097 nan 8.280 nan 0.000 0.504 168 K N -0.242 120.241 120.400 0.138 0.000 2.097 168 K HA -0.224 4.096 4.320 -0.001 0.000 0.206 168 K C 2.127 178.695 176.600 -0.054 0.000 1.049 168 K CA 1.867 58.183 56.287 0.048 0.000 0.933 168 K CB -0.235 32.315 32.500 0.083 0.000 0.717 168 K HN 0.495 nan 8.250 nan 0.000 0.442 169 Q N 0.638 120.410 119.800 -0.046 0.000 2.084 169 Q HA -0.106 4.233 4.340 -0.001 0.000 0.202 169 Q C 2.141 178.065 176.000 -0.127 0.000 0.978 169 Q CA 1.208 56.972 55.803 -0.064 0.000 0.844 169 Q CB -0.091 28.624 28.738 -0.037 0.000 0.898 169 Q HN 0.280 nan 8.270 nan 0.000 0.426 170 L N 0.365 121.477 121.223 -0.185 0.000 2.093 170 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 170 L C 2.418 179.080 176.870 -0.347 0.000 1.085 170 L CA 1.021 55.691 54.840 -0.282 0.000 0.755 170 L CB -0.316 41.561 42.059 -0.303 0.000 0.904 170 L HN 0.303 nan 8.230 nan 0.000 0.435 171 E N 0.597 120.576 120.200 -0.368 0.000 2.085 171 E HA -0.296 4.054 4.350 -0.001 0.000 0.194 171 E C 2.224 178.710 176.600 -0.190 0.000 0.994 171 E CA 1.424 57.633 56.400 -0.317 0.000 0.801 171 E CB 0.114 29.638 29.700 -0.294 0.000 0.743 171 E HN 0.298 nan 8.360 nan 0.000 0.453 172 K N 0.179 120.493 120.400 -0.144 0.000 2.031 172 K HA -0.161 4.159 4.320 -0.001 0.000 0.205 172 K C 2.307 178.851 176.600 -0.094 0.000 1.049 172 K CA 1.047 57.281 56.287 -0.088 0.000 0.939 172 K CB -0.175 32.291 32.500 -0.056 0.000 0.717 172 K HN 0.141 nan 8.250 nan 0.000 0.438 173 L N 1.467 122.609 121.223 -0.136 0.000 2.046 173 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 173 L C 2.088 178.847 176.870 -0.185 0.000 1.077 173 L CA 2.471 57.235 54.840 -0.127 0.000 0.747 173 L CB -0.811 41.148 42.059 -0.165 0.000 0.896 173 L HN 0.413 nan 8.230 nan 0.000 0.432 174 T N -3.795 110.530 114.554 -0.382 0.000 3.148 174 T HA 0.025 4.375 4.350 -0.001 0.000 0.253 174 T C 0.844 175.492 174.700 -0.086 0.000 1.134 174 T CA 0.373 62.231 62.100 -0.404 0.000 1.051 174 T CB -0.349 68.185 68.868 -0.557 0.000 0.959 174 T HN 0.593 nan 8.240 nan 0.000 0.525 175 Q N 0.066 119.830 119.800 -0.060 0.000 2.480 175 Q HA -0.225 4.115 4.340 -0.001 0.000 0.265 175 Q C 1.158 177.153 176.000 -0.008 0.000 1.072 175 Q CA 0.465 56.264 55.803 -0.006 0.000 1.018 175 Q CB -2.322 26.444 28.738 0.047 0.000 1.433 175 Q HN 1.014 nan 8.270 nan 0.000 0.513 176 G N -0.355 108.417 108.800 -0.046 0.000 2.168 176 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.263 176 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.263 176 G C 0.166 175.072 174.900 0.010 0.000 0.977 176 G CA 0.475 45.559 45.100 -0.027 0.000 0.659 176 G HN 0.446 nan 8.290 nan 0.000 0.533 177 D N -0.415 120.002 120.400 0.027 0.000 2.369 177 D HA 0.325 4.965 4.640 -0.001 0.000 0.211 177 D C 0.577 176.938 176.300 0.103 0.000 1.077 177 D CA 0.426 54.472 54.000 0.076 0.000 0.842 177 D CB 1.056 41.921 40.800 0.107 0.000 0.947 177 D HN 0.318 nan 8.370 nan 0.000 0.509 178 V N 1.239 121.193 119.914 0.067 0.000 2.709 178 V HA 0.159 4.278 4.120 -0.001 0.000 0.308 178 V C -0.727 175.428 176.094 0.100 0.000 1.062 178 V CA -1.226 61.138 62.300 0.107 0.000 0.901 178 V CB 2.212 34.083 31.823 0.081 0.000 1.003 178 V HN -0.015 nan 8.190 nan 0.000 0.425 179 Y N 5.133 125.467 120.300 0.056 0.000 2.569 179 Y HA 0.368 4.917 4.550 -0.001 0.000 0.332 179 Y C -0.189 175.728 175.900 0.028 0.000 1.120 179 Y CA -0.181 57.930 58.100 0.018 0.000 1.416 179 Y CB 0.425 38.873 38.460 -0.019 0.000 1.210 179 Y HN 0.523 nan 8.280 nan 0.000 0.528 180 L N 8.374 129.267 121.223 -0.551 0.000 2.259 180 L HA 0.447 4.787 4.340 -0.001 0.000 0.288 180 L C -0.430 176.165 176.870 -0.457 0.000 1.051 180 L CA -0.409 54.188 54.840 -0.405 0.000 0.824 180 L CB 0.583 42.365 42.059 -0.462 0.000 1.206 180 L HN 0.624 nan 8.230 nan 0.000 0.429 181 K N 2.264 122.526 120.400 -0.231 0.000 2.569 181 K HA 0.367 4.686 4.320 -0.001 0.000 0.259 181 K C -1.498 175.182 176.600 0.132 0.000 0.932 181 K CA -0.416 55.817 56.287 -0.090 0.000 0.833 181 K CB 2.205 34.569 32.500 -0.226 0.000 1.340 181 K HN 0.382 nan 8.250 nan 0.000 0.429 182 S N 2.372 118.121 115.700 0.081 0.000 2.525 182 S HA 0.380 4.850 4.470 -0.001 0.000 0.290 182 S C 0.096 174.724 174.600 0.046 0.000 1.152 182 S CA -0.589 57.645 58.200 0.055 0.000 1.072 182 S CB 1.063 64.283 63.200 0.033 0.000 1.027 182 S HN 0.631 nan 8.310 nan 0.000 0.500 183 K N 2.533 122.911 120.400 -0.035 0.000 2.358 183 K HA 0.204 4.524 4.320 -0.001 0.000 0.197 183 K C 0.339 176.954 176.600 0.025 0.000 1.025 183 K CA -0.034 56.239 56.287 -0.023 0.000 1.104 183 K CB 0.239 32.657 32.500 -0.137 0.000 0.855 183 K HN 0.577 nan 8.250 nan 0.000 0.531 184 R N 1.036 121.545 120.500 0.016 0.000 2.694 184 R HA 0.080 4.420 4.340 -0.001 0.000 0.268 184 R C 0.680 176.991 176.300 0.019 0.000 1.061 184 R CA 0.419 56.533 56.100 0.023 0.000 1.133 184 R CB 0.414 30.717 30.300 0.004 0.000 1.020 184 R HN -0.063 nan 8.270 nan 0.000 0.475 185 K N 1.317 121.724 120.400 0.012 0.000 2.440 185 K HA 0.057 4.377 4.320 -0.001 0.000 0.206 185 K C -0.781 175.820 176.600 0.002 0.000 1.025 185 K CA 0.016 56.308 56.287 0.008 0.000 1.135 185 K CB 0.287 32.791 32.500 0.007 0.000 0.856 185 K HN 0.621 nan 8.250 nan 0.000 0.502 186 D N -2.059 118.341 120.400 0.000 0.000 2.664 186 D HA 0.138 4.777 4.640 -0.001 0.000 0.292 186 D C -0.400 175.901 176.300 0.002 0.000 1.214 186 D CA -0.747 53.252 54.000 -0.001 0.000 0.932 186 D CB 0.579 41.374 40.800 -0.008 0.000 1.420 186 D HN -0.313 nan 8.370 nan 0.000 0.471 187 D N -0.783 119.619 120.400 0.003 0.000 2.358 187 D HA 0.118 4.758 4.640 -0.001 0.000 0.224 187 D C -0.147 176.158 176.300 0.009 0.000 1.123 187 D CA -0.156 53.849 54.000 0.008 0.000 0.833 187 D CB 0.241 41.046 40.800 0.009 0.000 0.946 187 D HN 0.166 nan 8.370 nan 0.000 0.505 188 R N 1.280 121.782 120.500 0.004 0.000 2.570 188 R HA 0.073 4.413 4.340 -0.001 0.000 0.277 188 R C 0.433 176.744 176.300 0.019 0.000 1.039 188 R CA 0.104 56.207 56.100 0.006 0.000 1.065 188 R CB 0.409 30.702 30.300 -0.012 0.000 0.964 188 R HN -0.115 nan 8.270 nan 0.000 0.428 189 N N 3.738 122.458 118.700 0.034 0.000 2.558 189 N HA 0.065 4.805 4.740 -0.001 0.000 0.242 189 N C 0.141 175.701 175.510 0.084 0.000 0.979 189 N CA -0.209 52.875 53.050 0.058 0.000 0.931 189 N CB 1.040 39.557 38.487 0.049 0.000 1.122 189 N HN 0.403 nan 8.380 nan 0.000 0.508 190 L N 3.500 124.796 121.223 0.121 0.000 2.376 190 L HA 0.084 4.424 4.340 -0.001 0.000 0.219 190 L C 2.032 179.038 176.870 0.226 0.000 1.133 190 L CA 0.777 55.721 54.840 0.174 0.000 0.816 190 L CB -0.171 42.002 42.059 0.190 0.000 0.933 190 L HN 0.558 nan 8.230 nan 0.000 0.449 191 L N -1.541 119.803 121.223 0.201 0.000 2.027 191 L HA -0.172 4.167 4.340 -0.001 0.000 0.206 191 L C 2.396 179.335 176.870 0.115 0.000 1.074 191 L CA 1.442 56.374 54.840 0.153 0.000 0.745 191 L CB -1.217 40.947 42.059 0.175 0.000 0.898 191 L HN 0.211 nan 8.230 nan 0.000 0.433 192 T N -0.539 114.075 114.554 0.100 0.000 2.708 192 T HA -0.179 4.171 4.350 -0.001 0.000 0.266 192 T C 1.748 176.500 174.700 0.086 0.000 1.037 192 T CA 1.428 63.577 62.100 0.081 0.000 1.146 192 T CB -0.204 68.701 68.868 0.061 0.000 0.865 192 T HN 0.389 nan 8.240 nan 0.000 0.435 193 E N 1.188 121.442 120.200 0.090 0.000 2.077 193 E HA -0.084 4.266 4.350 -0.001 0.000 0.193 193 E C 2.582 179.256 176.600 0.123 0.000 0.989 193 E CA 1.019 57.475 56.400 0.093 0.000 0.800 193 E CB -0.252 29.497 29.700 0.082 0.000 0.746 193 E HN 0.490 nan 8.360 nan 0.000 0.452 194 A N 1.502 124.395 122.820 0.122 0.000 1.902 194 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 194 A C 1.951 179.686 177.584 0.253 0.000 1.181 194 A CA 1.464 53.586 52.037 0.141 0.000 0.623 194 A CB -0.409 18.544 19.000 -0.078 0.000 0.818 194 A HN 0.165 nan 8.150 nan 0.000 0.443 195 E N -0.515 119.779 120.200 0.157 0.000 2.085 195 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 195 E C 2.080 178.747 176.600 0.113 0.000 0.994 195 E CA 1.418 57.897 56.400 0.132 0.000 0.801 195 E CB -0.148 29.607 29.700 0.092 0.000 0.743 195 E HN 0.664 nan 8.360 nan 0.000 0.453 196 K N 0.846 121.309 120.400 0.104 0.000 2.152 196 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 196 K C 1.053 177.706 176.600 0.088 0.000 1.048 196 K CA 1.520 57.856 56.287 0.082 0.000 0.933 196 K CB 0.148 32.692 32.500 0.073 0.000 0.721 196 K HN -0.031 nan 8.250 nan 0.000 0.447 197 D N -0.917 119.567 120.400 0.140 0.000 2.363 197 D HA 0.048 4.688 4.640 -0.001 0.000 0.226 197 D C 0.839 177.168 176.300 0.048 0.000 1.020 197 D CA 1.023 55.106 54.000 0.139 0.000 0.892 197 D CB 0.640 41.599 40.800 0.266 0.000 0.900 197 D HN 0.526 nan 8.370 nan 0.000 0.531 198 G N -0.191 108.636 108.800 0.044 0.000 2.159 198 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.227 198 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.227 198 G C -0.101 174.727 174.900 -0.121 0.000 0.986 198 G CA -0.508 44.557 45.100 -0.057 0.000 0.651 198 G HN 0.284 nan 8.290 nan 0.000 0.523 199 Y N 1.442 121.738 120.300 -0.008 0.000 2.346 199 Y HA 0.498 5.048 4.550 -0.001 0.000 0.330 199 Y C 1.277 177.150 175.900 -0.044 0.000 1.178 199 Y CA -0.004 58.076 58.100 -0.034 0.000 1.331 199 Y CB 0.658 39.093 38.460 -0.042 0.000 1.253 199 Y HN 0.254 nan 8.280 nan 0.000 0.529 200 Q N 2.685 122.532 119.800 0.079 0.000 2.260 200 Q HA 0.526 4.865 4.340 -0.001 0.000 0.238 200 Q C -1.062 174.916 176.000 -0.036 0.000 0.948 200 Q CA -0.634 55.179 55.803 0.016 0.000 0.895 200 Q CB 1.252 29.979 28.738 -0.018 0.000 1.218 200 Q HN 0.553 nan 8.270 nan 0.000 0.470 201 L N 0.663 121.820 121.223 -0.109 0.000 2.334 201 L HA 0.859 5.199 4.340 -0.001 0.000 0.273 201 L C -0.706 175.889 176.870 -0.458 0.000 1.013 201 L CA -0.927 53.717 54.840 -0.327 0.000 0.816 201 L CB 1.818 43.737 42.059 -0.233 0.000 1.278 201 L HN 0.626 nan 8.230 nan 0.000 0.431 202 A N 1.400 123.724 122.820 -0.826 0.000 2.455 202 A HA 0.765 5.085 4.320 -0.001 0.000 0.300 202 A C -0.954 175.970 177.584 -1.099 0.000 1.040 202 A CA -0.306 51.349 52.037 -0.637 0.000 0.697 202 A CB 0.993 19.883 19.000 -0.184 0.000 1.265 202 A HN 0.632 nan 8.150 nan 0.000 0.407 203 F N 0.800 120.721 119.950 -0.048 0.000 2.798 203 F HA 0.227 4.753 4.527 -0.001 0.000 0.328 203 F C 0.599 176.562 175.800 0.272 0.000 1.098 203 F CA -0.090 57.881 58.000 -0.048 0.000 1.172 203 F CB 0.504 39.465 39.000 -0.065 0.000 1.072 203 F HN 0.709 nan 8.300 nan 0.000 0.555 204 N N -1.689 117.286 118.700 0.459 0.000 3.308 204 N HA 0.286 5.025 4.740 -0.001 0.000 0.276 204 N C 0.250 175.848 175.510 0.147 0.000 1.533 204 N CA -0.974 52.255 53.050 0.299 0.000 0.878 204 N CB 0.743 39.342 38.487 0.186 0.000 1.566 204 N HN -0.214 nan 8.380 nan 0.000 0.546 205 R N -0.689 119.816 120.500 0.010 0.000 2.092 205 R HA 0.060 4.399 4.340 -0.001 0.000 0.231 205 R C 0.831 177.127 176.300 -0.006 0.000 1.119 205 R CA 1.308 57.375 56.100 -0.054 0.000 0.970 205 R CB -0.488 29.772 30.300 -0.067 0.000 0.864 205 R HN 0.506 nan 8.270 nan 0.000 0.440 206 N N 0.736 119.451 118.700 0.024 0.000 2.069 206 N HA -0.156 4.583 4.740 -0.001 0.000 0.191 206 N C 1.736 177.264 175.510 0.031 0.000 1.031 206 N CA 1.605 54.670 53.050 0.025 0.000 0.852 206 N CB -0.135 38.373 38.487 0.035 0.000 1.018 206 N HN 0.223 nan 8.380 nan 0.000 0.423 207 M N -0.310 119.325 119.600 0.058 0.000 2.254 207 M HA -0.058 4.421 4.480 -0.001 0.000 0.265 207 M C 1.926 178.243 176.300 0.029 0.000 1.066 207 M CA 0.705 56.033 55.300 0.046 0.000 1.123 207 M CB -0.134 32.503 32.600 0.061 0.000 1.388 207 M HN 0.074 nan 8.290 nan 0.000 0.425 208 L N 0.845 122.101 121.223 0.056 0.000 2.017 208 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 208 L C 1.725 178.587 176.870 -0.014 0.000 1.073 208 L CA 2.031 56.892 54.840 0.035 0.000 0.745 208 L CB -0.633 41.426 42.059 0.001 0.000 0.894 208 L HN 0.171 nan 8.230 nan 0.000 0.432 209 D N -0.242 120.146 120.400 -0.020 0.000 2.117 209 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 209 D C 1.720 178.008 176.300 -0.020 0.000 0.987 209 D CA 1.480 55.464 54.000 -0.027 0.000 0.829 209 D CB -0.210 40.576 40.800 -0.023 0.000 0.961 209 D HN 0.415 nan 8.370 nan 0.000 0.460 210 D N 0.317 120.711 120.400 -0.010 0.000 2.277 210 D HA 0.040 4.680 4.640 -0.001 0.000 0.208 210 D C 0.491 176.783 176.300 -0.014 0.000 0.962 210 D CA 0.260 54.255 54.000 -0.008 0.000 0.865 210 D CB -0.180 40.621 40.800 0.002 0.000 0.939 210 D HN 0.053 nan 8.370 nan 0.000 0.510 211 A N 1.088 123.896 122.820 -0.019 0.000 2.444 211 A HA 0.093 4.413 4.320 -0.001 0.000 0.273 211 A C 1.115 178.679 177.584 -0.032 0.000 1.136 211 A CA 0.079 52.100 52.037 -0.027 0.000 0.799 211 A CB 0.342 19.320 19.000 -0.036 0.000 1.081 211 A HN -0.144 nan 8.150 nan 0.000 0.509 212 K N 2.653 123.035 120.400 -0.030 0.000 2.358 212 K HA 0.122 4.441 4.320 -0.001 0.000 0.200 212 K C 1.030 177.607 176.600 -0.039 0.000 1.030 212 K CA 0.609 56.877 56.287 -0.032 0.000 1.097 212 K CB 0.815 33.301 32.500 -0.024 0.000 0.862 212 K HN 0.763 nan 8.250 nan 0.000 0.534 213 G N 0.802 109.577 108.800 -0.042 0.000 2.563 213 G HA2 0.063 4.023 3.960 -0.001 0.000 0.283 213 G HA3 0.063 4.023 3.960 -0.001 0.000 0.283 213 G C 0.076 174.937 174.900 -0.066 0.000 1.309 213 G CA -0.319 44.750 45.100 -0.051 0.000 1.022 213 G HN -0.054 nan 8.290 nan 0.000 0.501 214 D N -0.885 119.468 120.400 -0.079 0.000 2.350 214 D HA 0.098 4.737 4.640 -0.001 0.000 0.213 214 D C 0.387 176.619 176.300 -0.114 0.000 1.031 214 D CA 0.780 54.727 54.000 -0.090 0.000 0.861 214 D CB 0.533 41.285 40.800 -0.080 0.000 0.926 214 D HN 0.233 nan 8.370 nan 0.000 0.520 215 K N 0.720 121.035 120.400 -0.141 0.000 2.463 215 K HA 0.496 4.815 4.320 -0.001 0.000 0.255 215 K C -1.289 175.287 176.600 -0.040 0.000 0.942 215 K CA -0.780 55.386 56.287 -0.202 0.000 0.814 215 K CB 2.678 34.846 32.500 -0.553 0.000 1.122 215 K HN -0.168 nan 8.250 nan 0.000 0.425 216 L N 3.991 125.276 121.223 0.103 0.000 2.470 216 L HA 0.456 4.795 4.340 -0.001 0.000 0.268 216 L C -2.057 174.850 176.870 0.061 0.000 0.964 216 L CA -0.852 54.032 54.840 0.073 0.000 0.839 216 L CB 1.744 43.788 42.059 -0.025 0.000 1.276 216 L HN 0.563 nan 8.230 nan 0.000 0.403 217 L N 4.802 125.978 121.223 -0.078 0.000 2.298 217 L HA 0.903 5.242 4.340 -0.001 0.000 0.284 217 L C -0.132 176.427 176.870 -0.518 0.000 1.013 217 L CA 0.051 54.679 54.840 -0.353 0.000 0.824 217 L CB 1.336 43.087 42.059 -0.513 0.000 1.221 217 L HN 0.711 nan 8.230 nan 0.000 0.418 218 G N 6.167 114.622 108.800 -0.575 0.000 2.487 218 G HA2 0.614 4.574 3.960 -0.001 0.000 0.314 218 G HA3 0.614 4.574 3.960 -0.001 0.000 0.314 218 G C -1.441 172.739 174.900 -1.200 0.000 1.267 218 G CA -0.419 44.097 45.100 -0.972 0.000 0.937 218 G HN 0.537 nan 8.290 nan 0.000 0.481 219 L N 2.620 123.060 121.223 -1.306 0.000 2.388 219 L HA 0.382 4.722 4.340 -0.001 0.000 0.267 219 L C -0.319 176.249 176.870 -0.503 0.000 0.995 219 L CA -0.644 53.764 54.840 -0.720 0.000 0.864 219 L CB 1.419 43.224 42.059 -0.423 0.000 1.216 219 L HN 0.560 nan 8.230 nan 0.000 0.430 220 F N 1.605 121.557 119.950 0.004 0.000 2.678 220 F HA 0.541 5.068 4.527 -0.000 0.000 0.305 220 F C 0.994 176.843 175.800 0.082 0.000 1.090 220 F CA -0.293 57.732 58.000 0.042 0.000 1.272 220 F CB 0.621 39.608 39.000 -0.021 0.000 1.060 220 F HN 0.440 nan 8.300 nan 0.000 0.576 221 A N -1.587 121.358 122.820 0.209 0.000 2.608 221 A HA 0.361 4.681 4.320 -0.001 0.000 0.292 221 A C -0.123 177.593 177.584 0.219 0.000 1.066 221 A CA -0.653 51.515 52.037 0.219 0.000 0.676 221 A CB -0.027 19.093 19.000 0.201 0.000 1.277 221 A HN 0.100 nan 8.150 nan 0.000 0.413 222 Y N 1.291 121.690 120.300 0.165 0.000 2.081 222 Y HA -0.026 4.524 4.550 -0.001 0.000 0.280 222 Y C 1.699 177.693 175.900 0.157 0.000 1.163 222 Y CA 3.211 61.414 58.100 0.173 0.000 1.135 222 Y CB -0.052 38.595 38.460 0.312 0.000 0.970 222 Y HN 0.783 nan 8.280 nan 0.000 0.498 223 S N -1.137 114.545 115.700 -0.029 0.000 4.333 223 S HA 0.532 5.001 4.470 -0.001 0.000 0.203 223 S C 0.415 175.097 174.600 0.137 0.000 1.107 223 S CA -0.273 57.883 58.200 -0.074 0.000 1.753 223 S CB -0.129 63.026 63.200 -0.075 0.000 1.009 223 S HN 0.594 nan 8.310 nan 0.000 0.779 224 G N 1.443 110.385 108.800 0.237 0.000 2.594 224 G HA2 0.429 4.389 3.960 -0.001 0.000 0.243 224 G HA3 0.429 4.389 3.960 -0.001 0.000 0.243 224 G C -0.102 174.889 174.900 0.152 0.000 1.229 224 G CA -0.303 44.952 45.100 0.259 0.000 0.843 224 G HN 0.582 nan 8.290 nan 0.000 0.578 225 M N 0.067 119.701 119.600 0.056 0.000 2.012 225 M HA 0.166 4.646 4.480 -0.001 0.000 0.248 225 M C 0.132 176.444 176.300 0.020 0.000 1.238 225 M CA -0.578 54.744 55.300 0.036 0.000 0.980 225 M CB 0.300 32.889 32.600 -0.019 0.000 1.346 225 M HN 0.315 nan 8.290 nan 0.000 0.511 226 D N 1.711 122.118 120.400 0.011 0.000 2.488 226 D HA 0.045 4.684 4.640 -0.001 0.000 0.238 226 D C -0.743 175.565 176.300 0.014 0.000 1.138 226 D CA 0.205 54.225 54.000 0.034 0.000 0.873 226 D CB 0.207 41.044 40.800 0.061 0.000 1.183 226 D HN 0.466 nan 8.370 nan 0.000 0.458 227 D N -0.484 119.939 120.400 0.039 0.000 2.361 227 D HA 0.163 4.802 4.640 -0.001 0.000 0.239 227 D C 1.499 177.833 176.300 0.056 0.000 1.200 227 D CA -0.538 53.480 54.000 0.030 0.000 0.915 227 D CB 0.406 41.235 40.800 0.048 0.000 1.170 227 D HN 0.272 nan 8.370 nan 0.000 0.444 228 G N 0.088 108.922 108.800 0.056 0.000 2.432 228 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.219 228 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.219 228 G C 1.477 176.412 174.900 0.059 0.000 1.135 228 G CA 0.674 45.859 45.100 0.142 0.000 0.767 228 G HN 0.598 nan 8.290 nan 0.000 0.550 229 I N 1.078 121.560 120.570 -0.148 0.000 2.286 229 I HA -0.070 4.100 4.170 -0.001 0.000 0.245 229 I C 3.287 179.289 176.117 -0.190 0.000 1.104 229 I CA 0.780 61.824 61.300 -0.428 0.000 1.397 229 I CB -0.285 37.440 38.000 -0.458 0.000 1.072 229 I HN 0.225 nan 8.210 nan 0.000 0.417 230 A N 0.683 123.467 122.820 -0.059 0.000 1.908 230 A HA -0.305 4.015 4.320 -0.001 0.000 0.218 230 A C 2.332 179.944 177.584 0.046 0.000 1.181 230 A CA 1.911 53.949 52.037 0.002 0.000 0.627 230 A CB -1.088 17.938 19.000 0.043 0.000 0.818 230 A HN 0.546 nan 8.150 nan 0.000 0.445 231 Y N 1.247 121.525 120.300 -0.036 0.000 2.114 231 Y HA -0.160 4.389 4.550 -0.001 0.000 0.284 231 Y C 2.673 178.571 175.900 -0.003 0.000 1.143 231 Y CA 1.550 59.639 58.100 -0.019 0.000 1.135 231 Y CB -0.816 37.635 38.460 -0.016 0.000 0.980 231 Y HN 0.276 nan 8.280 nan 0.000 0.499 232 S N 0.920 116.450 115.700 -0.283 0.000 2.374 232 S HA -0.221 4.249 4.470 -0.001 0.000 0.227 232 S C 1.666 176.139 174.600 -0.212 0.000 1.037 232 S CA 1.530 59.552 58.200 -0.297 0.000 1.024 232 S CB -0.463 62.745 63.200 0.013 0.000 0.861 232 S HN 0.567 nan 8.310 nan 0.000 0.456 233 N N 1.011 119.619 118.700 -0.153 0.000 2.381 233 N HA -0.008 4.732 4.740 -0.001 0.000 0.182 233 N C 1.294 176.758 175.510 -0.076 0.000 1.025 233 N CA 0.822 53.812 53.050 -0.100 0.000 0.888 233 N CB -0.096 38.342 38.487 -0.082 0.000 0.965 233 N HN 0.461 nan 8.380 nan 0.000 0.438 234 K N 0.354 120.704 120.400 -0.083 0.000 2.379 234 K HA 0.114 4.433 4.320 -0.001 0.000 0.194 234 K C 0.102 176.661 176.600 -0.067 0.000 1.031 234 K CA 0.102 56.365 56.287 -0.040 0.000 1.037 234 K CB 0.390 32.906 32.500 0.026 0.000 0.824 234 K HN 0.106 nan 8.250 nan 0.000 0.516 235 K N 1.558 121.859 120.400 -0.166 0.000 2.451 235 K HA -0.017 4.303 4.320 -0.001 0.000 0.280 235 K C -0.050 176.506 176.600 -0.074 0.000 1.020 235 K CA 0.581 56.775 56.287 -0.156 0.000 1.008 235 K CB 0.404 32.745 32.500 -0.265 0.000 0.917 235 K HN 0.018 nan 8.250 nan 0.000 0.478 236 K N -0.196 120.179 120.400 -0.043 0.000 3.446 236 K HA -0.220 4.100 4.320 -0.001 0.000 0.312 236 K C 1.057 177.647 176.600 -0.016 0.000 1.329 236 K CA 1.046 57.318 56.287 -0.025 0.000 0.935 236 K CB -1.763 30.721 32.500 -0.026 0.000 1.281 236 K HN 0.806 nan 8.250 nan 0.000 0.457 237 S N -0.245 115.447 115.700 -0.014 0.000 2.453 237 S HA 0.032 4.501 4.470 -0.001 0.000 0.231 237 S C 1.634 176.234 174.600 0.000 0.000 1.005 237 S CA 1.083 59.280 58.200 -0.005 0.000 0.949 237 S CB 0.120 63.320 63.200 -0.001 0.000 0.774 237 S HN 0.922 nan 8.310 nan 0.000 0.510 238 G N 2.007 110.808 108.800 0.001 0.000 2.166 238 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.260 238 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.260 238 G C 0.292 175.196 174.900 0.006 0.000 0.986 238 G CA 0.635 45.736 45.100 0.002 0.000 0.683 238 G HN 0.895 nan 8.290 nan 0.000 0.527 239 E N -1.064 119.142 120.200 0.010 0.000 2.862 239 E HA 0.228 4.577 4.350 -0.001 0.000 0.204 239 E C 0.582 177.194 176.600 0.019 0.000 0.966 239 E CA -0.791 55.617 56.400 0.014 0.000 1.257 239 E CB 0.417 30.125 29.700 0.014 0.000 1.053 239 E HN 0.415 nan 8.360 nan 0.000 0.487 240 R N 1.226 121.737 120.500 0.019 0.000 2.570 240 R HA 0.091 4.430 4.340 -0.001 0.000 0.277 240 R C 0.967 177.277 176.300 0.017 0.000 1.039 240 R CA 1.240 57.355 56.100 0.025 0.000 1.065 240 R CB 0.739 31.060 30.300 0.035 0.000 0.964 240 R HN 0.296 nan 8.270 nan 0.000 0.428 241 T N -1.388 113.179 114.554 0.023 0.000 2.969 241 T HA -0.009 4.341 4.350 -0.001 0.000 0.250 241 T C 0.662 175.368 174.700 0.011 0.000 1.021 241 T CA -0.177 61.939 62.100 0.027 0.000 1.003 241 T CB 0.419 69.318 68.868 0.052 0.000 1.040 241 T HN 0.482 nan 8.240 nan 0.000 0.492 242 Q N 2.772 122.569 119.800 -0.004 0.000 2.274 242 Q HA 0.377 4.716 4.340 -0.001 0.000 0.256 242 Q C -2.734 173.153 176.000 -0.187 0.000 0.927 242 Q CA -2.775 52.992 55.803 -0.060 0.000 0.939 242 Q CB 1.302 30.039 28.738 -0.001 0.000 1.201 242 Q HN 0.165 nan 8.270 nan 0.000 0.426 243 P HA -0.040 nan 4.420 nan 0.000 0.269 243 P C -0.796 176.272 177.300 -0.386 0.000 1.209 243 P CA -0.009 62.822 63.100 -0.448 0.000 0.776 243 P CB 0.836 32.062 31.700 -0.789 0.000 0.876 244 S N 1.997 117.495 115.700 -0.337 0.000 2.645 244 S HA 0.137 4.606 4.470 -0.001 0.000 0.266 244 S C 1.184 175.548 174.600 -0.393 0.000 1.258 244 S CA -0.565 57.340 58.200 -0.492 0.000 0.990 244 S CB 0.085 62.986 63.200 -0.498 0.000 0.967 244 S HN 0.324 nan 8.310 nan 0.000 0.556 245 L N 1.234 122.212 121.223 -0.408 0.000 2.042 245 L HA -0.073 4.266 4.340 -0.001 0.000 0.210 245 L C 2.579 179.336 176.870 -0.188 0.000 1.076 245 L CA 2.094 56.784 54.840 -0.250 0.000 0.749 245 L CB -0.911 41.035 42.059 -0.189 0.000 0.893 245 L HN 0.971 nan 8.230 nan 0.000 0.432 246 K N -0.483 119.814 120.400 -0.172 0.000 2.032 246 K HA -0.249 4.070 4.320 -0.001 0.000 0.209 246 K C 1.972 178.495 176.600 -0.129 0.000 1.048 246 K CA 2.137 58.356 56.287 -0.114 0.000 0.927 246 K CB -0.178 32.289 32.500 -0.056 0.000 0.712 246 K HN 0.504 nan 8.250 nan 0.000 0.441 247 E N 0.086 120.195 120.200 -0.153 0.000 2.106 247 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 247 E C 2.127 178.619 176.600 -0.182 0.000 0.984 247 E CA 1.502 57.807 56.400 -0.157 0.000 0.806 247 E CB -0.041 29.555 29.700 -0.173 0.000 0.750 247 E HN 0.372 nan 8.360 nan 0.000 0.458 248 M N 0.184 119.657 119.600 -0.213 0.000 2.132 248 M HA -0.134 4.345 4.480 -0.001 0.000 0.263 248 M C 2.338 178.541 176.300 -0.162 0.000 1.065 248 M CA 1.301 56.490 55.300 -0.186 0.000 1.122 248 M CB -0.334 32.160 32.600 -0.176 0.000 1.365 248 M HN 0.077 nan 8.290 nan 0.000 0.411 249 T N -0.195 114.262 114.554 -0.162 0.000 2.708 249 T HA -0.213 4.136 4.350 -0.001 0.000 0.266 249 T C 1.723 176.302 174.700 -0.201 0.000 1.037 249 T CA 1.539 63.535 62.100 -0.173 0.000 1.146 249 T CB -0.266 68.513 68.868 -0.148 0.000 0.865 249 T HN 0.294 nan 8.240 nan 0.000 0.435 250 Q N 1.299 120.998 119.800 -0.169 0.000 2.084 250 Q HA -0.085 4.254 4.340 -0.001 0.000 0.202 250 Q C 2.158 178.046 176.000 -0.186 0.000 0.978 250 Q CA 1.706 57.410 55.803 -0.165 0.000 0.844 250 Q CB -0.253 28.418 28.738 -0.111 0.000 0.898 250 Q HN 0.315 nan 8.270 nan 0.000 0.426 251 K N -0.222 120.078 120.400 -0.166 0.000 2.057 251 K HA -0.046 4.273 4.320 -0.001 0.000 0.207 251 K C 1.807 178.284 176.600 -0.205 0.000 1.049 251 K CA 1.509 57.702 56.287 -0.156 0.000 0.931 251 K CB -0.715 31.712 32.500 -0.122 0.000 0.714 251 K HN 0.259 nan 8.250 nan 0.000 0.440 252 A N 0.709 123.390 122.820 -0.231 0.000 1.883 252 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 252 A C 2.215 179.520 177.584 -0.465 0.000 1.186 252 A CA 1.774 53.633 52.037 -0.296 0.000 0.624 252 A CB -0.791 18.048 19.000 -0.269 0.000 0.822 252 A HN 0.329 nan 8.150 nan 0.000 0.444 253 L N -0.353 120.558 121.223 -0.521 0.000 2.046 253 L HA -0.230 4.110 4.340 -0.001 0.000 0.208 253 L C 2.363 178.875 176.870 -0.598 0.000 1.077 253 L CA 1.377 55.743 54.840 -0.790 0.000 0.747 253 L CB -0.741 40.809 42.059 -0.848 0.000 0.896 253 L HN 0.358 nan 8.230 nan 0.000 0.432 254 N N 0.322 118.811 118.700 -0.351 0.000 2.104 254 N HA -0.165 4.575 4.740 -0.001 0.000 0.190 254 N C 1.852 177.241 175.510 -0.202 0.000 1.024 254 N CA 1.476 54.404 53.050 -0.203 0.000 0.853 254 N CB -0.262 38.146 38.487 -0.132 0.000 1.008 254 N HN 0.334 nan 8.380 nan 0.000 0.424 255 I N 0.485 120.911 120.570 -0.241 0.000 2.193 255 I HA -0.156 4.013 4.170 -0.001 0.000 0.240 255 I C 1.930 177.892 176.117 -0.258 0.000 1.084 255 I CA 0.728 61.906 61.300 -0.203 0.000 1.365 255 I CB -0.206 37.687 38.000 -0.179 0.000 1.064 255 I HN 0.020 nan 8.210 nan 0.000 0.410 256 L N 0.522 121.478 121.223 -0.446 0.000 2.201 256 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 256 L C 2.616 179.180 176.870 -0.510 0.000 1.105 256 L CA 1.309 55.808 54.840 -0.568 0.000 0.775 256 L CB -0.660 40.795 42.059 -1.006 0.000 0.913 256 L HN 0.351 nan 8.230 nan 0.000 0.440 257 S N -0.755 114.645 115.700 -0.500 0.000 2.555 257 S HA -0.105 4.365 4.470 -0.001 0.000 0.230 257 S C 1.708 176.367 174.600 0.098 0.000 0.978 257 S CA 0.471 58.660 58.200 -0.018 0.000 0.934 257 S CB -0.223 63.078 63.200 0.168 0.000 0.766 257 S HN 0.417 nan 8.310 nan 0.000 0.533 258 K N 1.124 121.525 120.400 0.001 0.000 2.296 258 K HA 0.083 4.402 4.320 -0.001 0.000 0.200 258 K C 0.493 177.123 176.600 0.051 0.000 1.048 258 K CA 0.416 56.720 56.287 0.027 0.000 0.966 258 K CB -0.076 32.416 32.500 -0.012 0.000 0.754 258 K HN 0.429 nan 8.250 nan 0.000 0.466 259 D N 1.919 122.359 120.400 0.067 0.000 2.383 259 D HA -0.061 4.578 4.640 -0.001 0.000 0.252 259 D C 0.841 177.203 176.300 0.104 0.000 1.166 259 D CA 0.147 54.195 54.000 0.080 0.000 0.879 259 D CB 1.087 41.944 40.800 0.095 0.000 1.164 259 D HN 0.278 nan 8.370 nan 0.000 0.462 260 E N 2.534 122.778 120.200 0.074 0.000 2.265 260 E HA -0.191 4.159 4.350 -0.001 0.000 0.196 260 E C 0.322 176.967 176.600 0.075 0.000 0.996 260 E CA 1.001 57.442 56.400 0.069 0.000 0.832 260 E CB 0.154 29.882 29.700 0.047 0.000 0.756 260 E HN 0.379 nan 8.360 nan 0.000 0.491 261 D N 0.791 121.239 120.400 0.080 0.000 2.349 261 D HA 0.139 4.779 4.640 -0.001 0.000 0.215 261 D C 0.974 177.329 176.300 0.092 0.000 1.016 261 D CA 0.997 55.041 54.000 0.073 0.000 0.870 261 D CB 0.762 41.600 40.800 0.064 0.000 0.917 261 D HN 0.356 nan 8.370 nan 0.000 0.524 262 G N 1.120 110.005 108.800 0.141 0.000 2.610 262 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.304 262 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.304 262 G C -0.707 174.351 174.900 0.264 0.000 1.309 262 G CA -0.465 44.739 45.100 0.172 0.000 0.906 262 G HN 0.255 nan 8.290 nan 0.000 0.521 263 F N -2.658 117.341 119.950 0.082 0.000 2.668 263 F HA 0.833 5.359 4.527 -0.001 0.000 0.309 263 F C -1.095 174.775 175.800 0.116 0.000 1.117 263 F CA -1.834 56.207 58.000 0.068 0.000 0.951 263 F CB 1.575 40.568 39.000 -0.012 0.000 1.323 263 F HN 0.929 nan 8.300 nan 0.000 0.451 264 F N 3.652 123.701 119.950 0.165 0.000 2.482 264 F HA 0.817 5.344 4.527 -0.000 0.000 0.331 264 F C -1.925 173.984 175.800 0.183 0.000 1.115 264 F CA -1.266 56.783 58.000 0.083 0.000 0.955 264 F CB 1.791 40.825 39.000 0.056 0.000 1.136 264 F HN 0.708 nan 8.300 nan 0.000 0.452 265 L N 7.880 128.599 121.223 -0.839 0.000 2.436 265 L HA 0.575 4.915 4.340 -0.001 0.000 0.268 265 L C -1.853 174.456 176.870 -0.935 0.000 0.974 265 L CA -0.626 53.847 54.840 -0.611 0.000 0.826 265 L CB 1.874 43.834 42.059 -0.166 0.000 1.291 265 L HN 0.726 nan 8.230 nan 0.000 0.406 266 M N 5.843 125.026 119.600 -0.695 0.000 2.167 266 M HA 0.536 5.016 4.480 -0.001 0.000 0.333 266 M C -1.812 174.305 176.300 -0.305 0.000 1.030 266 M CA -0.524 54.456 55.300 -0.534 0.000 0.963 266 M CB 1.473 33.635 32.600 -0.730 0.000 1.589 266 M HN 0.426 nan 8.290 nan 0.000 0.431 267 V N 4.995 124.794 119.914 -0.191 0.000 2.417 267 V HA 0.448 4.567 4.120 -0.001 0.000 0.291 267 V C -0.269 175.819 176.094 -0.009 0.000 1.024 267 V CA -0.725 61.520 62.300 -0.091 0.000 0.861 267 V CB 1.753 33.544 31.823 -0.054 0.000 0.985 267 V HN 0.816 nan 8.190 nan 0.000 0.436 268 E N 3.261 123.428 120.200 -0.054 0.000 2.165 268 E HA 0.544 4.893 4.350 -0.001 0.000 0.266 268 E C 0.095 176.586 176.600 -0.182 0.000 0.889 268 E CA -0.639 55.690 56.400 -0.117 0.000 0.756 268 E CB 1.768 31.386 29.700 -0.136 0.000 1.131 268 E HN 0.832 nan 8.360 nan 0.000 0.411 269 G N 2.717 111.266 108.800 -0.418 0.000 2.639 269 G HA2 0.298 4.257 3.960 -0.001 0.000 0.312 269 G HA3 0.298 4.257 3.960 -0.001 0.000 0.312 269 G C 0.583 175.157 174.900 -0.543 0.000 0.911 269 G CA -0.108 44.690 45.100 -0.503 0.000 1.410 269 G HN 0.598 nan 8.290 nan 0.000 0.469 270 G N 1.092 109.614 108.800 -0.464 0.000 2.838 270 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.210 270 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.210 270 G C 1.226 175.688 174.900 -0.729 0.000 1.153 270 G CA 0.029 44.812 45.100 -0.527 0.000 0.778 270 G HN 0.601 nan 8.290 nan 0.000 0.539 271 Q N -0.306 119.071 119.800 -0.704 0.000 2.319 271 Q HA 0.273 4.612 4.340 -0.001 0.000 0.202 271 Q C 2.083 177.905 176.000 -0.297 0.000 0.896 271 Q CA -0.304 55.064 55.803 -0.725 0.000 0.942 271 Q CB 0.271 28.643 28.738 -0.610 0.000 1.083 271 Q HN 0.473 nan 8.270 nan 0.000 0.510 272 I N 1.322 121.732 120.570 -0.266 0.000 2.145 272 I HA -0.352 3.818 4.170 -0.001 0.000 0.244 272 I C 2.062 178.127 176.117 -0.087 0.000 1.075 272 I CA 1.834 63.037 61.300 -0.163 0.000 1.332 272 I CB -0.223 37.652 38.000 -0.209 0.000 1.033 272 I HN 0.242 nan 8.210 nan 0.000 0.410 273 D N -0.014 120.335 120.400 -0.086 0.000 2.117 273 D HA -0.228 4.411 4.640 -0.001 0.000 0.197 273 D C 1.969 178.468 176.300 0.333 0.000 0.987 273 D CA 1.405 55.453 54.000 0.080 0.000 0.829 273 D CB -0.059 40.834 40.800 0.154 0.000 0.961 273 D HN 0.246 nan 8.370 nan 0.000 0.460 274 W N 1.061 122.393 121.300 0.053 0.000 2.355 274 W HA 0.097 4.757 4.660 -0.001 0.000 0.309 274 W C 2.616 179.148 176.519 0.022 0.000 1.206 274 W CA 0.974 58.355 57.345 0.059 0.000 1.284 274 W CB -1.378 28.058 29.460 -0.040 0.000 1.145 274 W HN 0.095 nan 8.180 nan 0.000 0.502 275 A N 0.458 123.394 122.820 0.194 0.000 1.902 275 A HA -0.026 4.294 4.320 -0.001 0.000 0.217 275 A C 2.397 179.963 177.584 -0.029 0.000 1.181 275 A CA 2.179 54.244 52.037 0.046 0.000 0.623 275 A CB -1.397 17.599 19.000 -0.007 0.000 0.818 275 A HN 0.280 nan 8.150 nan 0.000 0.443 276 G N -1.459 107.346 108.800 0.008 0.000 2.422 276 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.218 276 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.218 276 G C 1.515 176.358 174.900 -0.096 0.000 1.146 276 G CA 1.058 46.151 45.100 -0.011 0.000 0.769 276 G HN 0.661 nan 8.290 nan 0.000 0.547 277 H N 0.779 119.869 119.070 0.033 0.000 2.387 277 H HA -0.014 4.541 4.556 -0.001 0.000 0.299 277 H C 2.568 177.878 175.328 -0.029 0.000 1.090 277 H CA 1.510 57.573 56.048 0.026 0.000 1.332 277 H CB -0.072 29.686 29.762 -0.008 0.000 1.386 277 H HN 0.300 nan 8.280 nan 0.000 0.516 278 S N 0.827 116.561 115.700 0.057 0.000 2.603 278 S HA -0.041 4.429 4.470 -0.001 0.000 0.220 278 S C 0.374 174.860 174.600 -0.190 0.000 0.967 278 S CA -0.045 58.170 58.200 0.025 0.000 0.920 278 S CB -0.007 63.251 63.200 0.096 0.000 0.773 278 S HN 0.449 nan 8.310 nan 0.000 0.529 279 N N 2.137 120.464 118.700 -0.622 0.000 2.727 279 N HA -0.158 4.581 4.740 -0.001 0.000 0.249 279 N C -1.035 173.888 175.510 -0.979 0.000 1.048 279 N CA 0.809 52.833 53.050 -1.709 0.000 0.714 279 N CB -1.251 36.248 38.487 -1.647 0.000 0.959 279 N HN 0.449 nan 8.380 nan 0.000 0.544 280 D N -0.473 119.576 120.400 -0.585 0.000 2.485 280 D HA 0.571 5.210 4.640 -0.001 0.000 0.229 280 D C 0.981 177.138 176.300 -0.239 0.000 1.101 280 D CA -0.028 53.592 54.000 -0.634 0.000 0.906 280 D CB 0.523 40.914 40.800 -0.681 0.000 1.019 280 D HN 0.247 nan 8.370 nan 0.000 0.516 281 A N 2.823 125.661 122.820 0.029 0.000 1.969 281 A HA 0.056 4.376 4.320 -0.001 0.000 0.218 281 A C 2.012 179.583 177.584 -0.021 0.000 1.169 281 A CA 1.494 53.560 52.037 0.049 0.000 0.635 281 A CB -0.543 18.512 19.000 0.091 0.000 0.810 281 A HN 0.563 nan 8.150 nan 0.000 0.445 282 G N -0.823 107.968 108.800 -0.016 0.000 2.421 282 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.216 282 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.216 282 G C 1.578 176.523 174.900 0.076 0.000 1.171 282 G CA 1.645 46.791 45.100 0.077 0.000 0.775 282 G HN 0.419 nan 8.290 nan 0.000 0.543 283 T N 0.845 115.370 114.554 -0.049 0.000 2.821 283 T HA -0.099 4.251 4.350 -0.001 0.000 0.267 283 T C 2.288 176.998 174.700 0.016 0.000 1.046 283 T CA 1.325 63.411 62.100 -0.024 0.000 1.139 283 T CB -0.186 68.642 68.868 -0.066 0.000 0.871 283 T HN 0.218 nan 8.240 nan 0.000 0.454 284 M N 0.581 120.159 119.600 -0.035 0.000 2.108 284 M HA -0.079 4.401 4.480 -0.001 0.000 0.261 284 M C 2.126 178.402 176.300 -0.040 0.000 1.066 284 M CA 1.405 56.672 55.300 -0.055 0.000 1.107 284 M CB -0.244 32.289 32.600 -0.110 0.000 1.356 284 M HN 0.222 nan 8.290 nan 0.000 0.406 285 L N 0.022 121.228 121.223 -0.028 0.000 2.012 285 L HA -0.274 4.066 4.340 -0.001 0.000 0.210 285 L C 2.301 179.146 176.870 -0.041 0.000 1.073 285 L CA 2.054 56.869 54.840 -0.042 0.000 0.748 285 L CB -1.143 40.879 42.059 -0.061 0.000 0.891 285 L HN 0.391 nan 8.230 nan 0.000 0.431 286 H N -0.599 118.448 119.070 -0.039 0.000 2.421 286 H HA -0.082 4.473 4.556 -0.001 0.000 0.298 286 H C 1.970 177.317 175.328 0.031 0.000 1.087 286 H CA 1.400 57.444 56.048 -0.007 0.000 1.330 286 H CB 0.276 30.011 29.762 -0.046 0.000 1.388 286 H HN 0.474 nan 8.280 nan 0.000 0.526 287 E N 0.892 121.157 120.200 0.108 0.000 2.106 287 E HA -0.092 4.258 4.350 -0.001 0.000 0.192 287 E C 2.566 179.205 176.600 0.065 0.000 0.984 287 E CA 0.270 56.697 56.400 0.045 0.000 0.806 287 E CB -0.266 29.413 29.700 -0.035 0.000 0.750 287 E HN 0.447 nan 8.360 nan 0.000 0.458 288 L N 0.463 121.722 121.223 0.061 0.000 2.083 288 L HA -0.157 4.183 4.340 -0.001 0.000 0.209 288 L C 2.561 179.520 176.870 0.150 0.000 1.083 288 L CA 0.770 55.678 54.840 0.113 0.000 0.752 288 L CB -0.428 41.675 42.059 0.074 0.000 0.899 288 L HN 0.081 nan 8.230 nan 0.000 0.433 289 L N -0.254 121.034 121.223 0.110 0.000 2.046 289 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 289 L C 2.727 179.688 176.870 0.152 0.000 1.077 289 L CA 1.310 56.226 54.840 0.128 0.000 0.747 289 L CB -0.580 41.508 42.059 0.048 0.000 0.896 289 L HN 0.267 nan 8.230 nan 0.000 0.432 290 K N 0.026 120.535 120.400 0.182 0.000 2.063 290 K HA -0.247 4.073 4.320 -0.001 0.000 0.208 290 K C 2.267 178.961 176.600 0.157 0.000 1.048 290 K CA 1.671 58.075 56.287 0.194 0.000 0.928 290 K CB -0.187 32.405 32.500 0.152 0.000 0.713 290 K HN 0.094 nan 8.250 nan 0.000 0.442 291 F N 2.379 122.320 119.950 -0.016 0.000 2.146 291 F HA -0.137 4.390 4.527 -0.001 0.000 0.298 291 F C 1.842 177.628 175.800 -0.024 0.000 1.096 291 F CA 1.791 59.764 58.000 -0.045 0.000 1.275 291 F CB -0.652 38.315 39.000 -0.054 0.000 1.008 291 F HN 0.160 nan 8.300 nan 0.000 0.480 292 D N -0.140 120.252 120.400 -0.013 0.000 2.178 292 D HA -0.171 4.468 4.640 -0.001 0.000 0.201 292 D C 2.059 178.314 176.300 -0.076 0.000 0.980 292 D CA 1.366 55.305 54.000 -0.102 0.000 0.842 292 D CB -0.087 40.749 40.800 0.061 0.000 0.948 292 D HN 0.449 nan 8.370 nan 0.000 0.472 293 E N -0.195 120.001 120.200 -0.007 0.000 2.058 293 E HA -0.207 4.143 4.350 -0.001 0.000 0.194 293 E C 2.102 178.665 176.600 -0.061 0.000 0.997 293 E CA 1.064 57.458 56.400 -0.010 0.000 0.801 293 E CB -0.164 29.564 29.700 0.046 0.000 0.746 293 E HN 0.355 nan 8.360 nan 0.000 0.450 294 A N 1.057 123.819 122.820 -0.098 0.000 1.930 294 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 294 A C 2.152 179.618 177.584 -0.196 0.000 1.175 294 A CA 0.958 52.915 52.037 -0.133 0.000 0.627 294 A CB -0.533 18.406 19.000 -0.101 0.000 0.815 294 A HN 0.138 nan 8.150 nan 0.000 0.443 295 I N -0.651 119.729 120.570 -0.318 0.000 2.226 295 I HA -0.309 3.861 4.170 -0.001 0.000 0.245 295 I C 2.777 178.805 176.117 -0.147 0.000 1.100 295 I CA 1.752 62.867 61.300 -0.309 0.000 1.374 295 I CB -0.379 37.355 38.000 -0.443 0.000 1.057 295 I HN 0.512 nan 8.210 nan 0.000 0.413 296 Q N 0.583 120.321 119.800 -0.103 0.000 2.096 296 Q HA -0.218 4.121 4.340 -0.001 0.000 0.204 296 Q C 2.171 178.190 176.000 0.032 0.000 0.982 296 Q CA 2.356 58.151 55.803 -0.012 0.000 0.850 296 Q CB -0.041 28.694 28.738 -0.006 0.000 0.901 296 Q HN 0.435 nan 8.270 nan 0.000 0.422 297 T N 0.254 114.799 114.554 -0.015 0.000 2.684 297 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 297 T C 1.845 176.552 174.700 0.013 0.000 1.036 297 T CA 1.495 63.589 62.100 -0.009 0.000 1.148 297 T CB -0.235 68.603 68.868 -0.051 0.000 0.863 297 T HN 0.120 nan 8.240 nan 0.000 0.436 298 V N 0.388 120.287 119.914 -0.024 0.000 2.295 298 V HA -0.158 3.962 4.120 -0.001 0.000 0.246 298 V C 1.997 178.101 176.094 0.017 0.000 1.049 298 V CA 1.698 63.998 62.300 0.001 0.000 1.024 298 V CB -0.702 31.082 31.823 -0.064 0.000 0.648 298 V HN 0.538 nan 8.190 nan 0.000 0.447 299 Y N 1.277 121.474 120.300 -0.172 0.000 2.145 299 Y HA -0.214 4.335 4.550 -0.001 0.000 0.286 299 Y C 2.599 178.392 175.900 -0.179 0.000 1.145 299 Y CA 1.950 59.880 58.100 -0.283 0.000 1.148 299 Y CB -0.130 38.165 38.460 -0.275 0.000 0.981 299 Y HN 0.229 nan 8.280 nan 0.000 0.507 300 E N -0.571 119.574 120.200 -0.091 0.000 2.110 300 E HA -0.262 4.088 4.350 -0.001 0.000 0.193 300 E C 1.890 178.406 176.600 -0.139 0.000 0.988 300 E CA 1.441 57.757 56.400 -0.141 0.000 0.804 300 E CB -0.972 28.738 29.700 0.017 0.000 0.745 300 E HN 0.779 nan 8.360 nan 0.000 0.458 301 W N 1.287 122.469 121.300 -0.197 0.000 2.381 301 W HA -0.073 4.586 4.660 -0.001 0.000 0.301 301 W C 2.238 178.655 176.519 -0.171 0.000 1.205 301 W CA 2.206 59.464 57.345 -0.144 0.000 1.285 301 W CB -0.157 29.249 29.460 -0.090 0.000 1.133 301 W HN 0.023 nan 8.180 nan 0.000 0.521 302 A N 0.995 123.694 122.820 -0.201 0.000 2.081 302 A HA -0.073 4.247 4.320 -0.001 0.000 0.214 302 A C 1.961 179.279 177.584 -0.442 0.000 1.158 302 A CA 1.307 53.104 52.037 -0.401 0.000 0.724 302 A CB -0.785 18.051 19.000 -0.273 0.000 0.826 302 A HN 0.463 nan 8.150 nan 0.000 0.463 303 K N -0.294 119.750 120.400 -0.593 0.000 2.160 303 K HA -0.189 4.130 4.320 -0.001 0.000 0.206 303 K C 0.147 176.742 176.600 -0.008 0.000 1.047 303 K CA 1.797 57.806 56.287 -0.465 0.000 0.930 303 K CB -0.290 31.684 32.500 -0.877 0.000 0.720 303 K HN 0.237 nan 8.250 nan 0.000 0.450 304 D N 0.535 120.867 120.400 -0.113 0.000 2.369 304 D HA 0.077 4.716 4.640 -0.001 0.000 0.211 304 D C 0.023 176.292 176.300 -0.051 0.000 1.077 304 D CA 0.056 54.023 54.000 -0.055 0.000 0.842 304 D CB 0.319 41.059 40.800 -0.099 0.000 0.947 304 D HN 0.213 nan 8.370 nan 0.000 0.509 305 R N 0.605 121.080 120.500 -0.043 0.000 2.531 305 R HA 0.314 4.654 4.340 -0.001 0.000 0.273 305 R C 0.627 176.943 176.300 0.027 0.000 1.070 305 R CA -0.043 56.024 56.100 -0.054 0.000 1.112 305 R CB 1.048 31.257 30.300 -0.153 0.000 1.049 305 R HN 0.004 nan 8.270 nan 0.000 0.508 306 E N 0.644 120.831 120.200 -0.020 0.000 2.583 306 E HA -0.029 4.320 4.350 -0.001 0.000 0.213 306 E C -0.372 176.213 176.600 -0.025 0.000 0.989 306 E CA 0.081 56.457 56.400 -0.041 0.000 0.991 306 E CB 0.548 30.218 29.700 -0.051 0.000 1.040 306 E HN 0.561 nan 8.360 nan 0.000 0.481 307 D N -0.059 120.343 120.400 0.003 0.000 2.501 307 D HA 0.040 4.679 4.640 -0.001 0.000 0.224 307 D C -0.098 176.226 176.300 0.040 0.000 1.202 307 D CA -0.149 53.858 54.000 0.012 0.000 0.829 307 D CB 0.386 41.192 40.800 0.010 0.000 1.023 307 D HN -0.262 nan 8.370 nan 0.000 0.499 308 T N 0.699 115.310 114.554 0.095 0.000 2.881 308 T HA 0.515 4.865 4.350 -0.001 0.000 0.290 308 T C -0.271 174.575 174.700 0.244 0.000 1.000 308 T CA -0.500 61.702 62.100 0.169 0.000 0.978 308 T CB 1.847 70.873 68.868 0.264 0.000 0.997 308 T HN 0.017 nan 8.240 nan 0.000 0.443 309 I N 2.840 123.525 120.570 0.193 0.000 2.404 309 I HA 0.521 4.691 4.170 -0.001 0.000 0.293 309 I C -0.610 175.668 176.117 0.268 0.000 0.992 309 I CA -0.968 60.483 61.300 0.252 0.000 1.149 309 I CB 1.786 39.892 38.000 0.178 0.000 1.315 309 I HN 0.265 nan 8.210 nan 0.000 0.446 310 V N 7.041 127.175 119.914 0.367 0.000 2.459 310 V HA 0.464 4.584 4.120 -0.001 0.000 0.295 310 V C -0.156 176.090 176.094 0.253 0.000 1.029 310 V CA -0.619 61.829 62.300 0.245 0.000 0.874 310 V CB 1.968 33.891 31.823 0.168 0.000 0.985 310 V HN 0.390 nan 8.190 nan 0.000 0.438 311 I N 5.205 125.891 120.570 0.193 0.000 2.406 311 I HA 0.487 4.657 4.170 -0.001 0.000 0.290 311 I C -0.300 175.923 176.117 0.176 0.000 0.999 311 I CA -0.587 60.832 61.300 0.198 0.000 1.124 311 I CB 1.894 40.009 38.000 0.192 0.000 1.289 311 I HN 0.260 nan 8.210 nan 0.000 0.441 312 V N 5.742 125.794 119.914 0.229 0.000 2.417 312 V HA 0.700 4.820 4.120 -0.001 0.000 0.291 312 V C 0.181 176.481 176.094 0.343 0.000 1.024 312 V CA -0.175 62.284 62.300 0.265 0.000 0.861 312 V CB 1.883 33.829 31.823 0.204 0.000 0.985 312 V HN 0.951 nan 8.190 nan 0.000 0.436 313 T N 2.806 117.525 114.554 0.275 0.000 2.626 313 T HA 0.853 5.203 4.350 -0.001 0.000 0.299 313 T C -1.300 173.497 174.700 0.163 0.000 1.181 313 T CA 0.309 62.530 62.100 0.203 0.000 1.053 313 T CB 1.898 70.824 68.868 0.097 0.000 1.566 313 T HN 1.038 nan 8.240 nan 0.000 0.486 314 A N 0.431 123.316 122.820 0.108 0.000 2.479 314 A HA 0.664 4.983 4.320 -0.001 0.000 0.296 314 A C 0.377 178.010 177.584 0.082 0.000 1.121 314 A CA -0.023 52.019 52.037 0.007 0.000 0.743 314 A CB 1.287 20.249 19.000 -0.065 0.000 1.323 314 A HN 0.864 nan 8.150 nan 0.000 0.415 315 D N -0.491 119.871 120.400 -0.063 0.000 2.289 315 D HA 0.149 4.788 4.640 -0.001 0.000 0.207 315 D C 0.431 176.731 176.300 0.001 0.000 0.966 315 D CA 1.756 55.795 54.000 0.064 0.000 0.868 315 D CB -0.268 40.584 40.800 0.087 0.000 0.943 315 D HN 0.872 nan 8.370 nan 0.000 0.514 316 H N -3.874 115.150 119.070 -0.078 0.000 2.866 316 H HA 0.379 4.935 4.556 -0.001 0.000 0.259 316 H C -1.368 173.868 175.328 -0.154 0.000 1.442 316 H CA -1.047 54.916 56.048 -0.142 0.000 1.156 316 H CB 0.316 29.984 29.762 -0.157 0.000 1.785 316 H HN -0.140 nan 8.280 nan 0.000 0.456 317 E N 0.383 120.592 120.200 0.016 0.000 2.248 317 E HA 0.467 4.817 4.350 -0.001 0.000 0.272 317 E C -0.881 175.800 176.600 0.135 0.000 1.008 317 E CA -0.600 55.804 56.400 0.007 0.000 0.856 317 E CB 1.693 31.393 29.700 -0.000 0.000 1.120 317 E HN 0.628 nan 8.360 nan 0.000 0.397 318 T N 1.457 116.047 114.554 0.060 0.000 2.809 318 T HA 0.540 4.889 4.350 -0.001 0.000 0.284 318 T C 0.478 175.270 174.700 0.152 0.000 0.992 318 T CA 0.093 62.230 62.100 0.062 0.000 0.957 318 T CB 1.300 70.123 68.868 -0.075 0.000 0.942 318 T HN 0.634 nan 8.240 nan 0.000 0.439 319 G N 1.993 110.895 108.800 0.170 0.000 2.213 319 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.226 319 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.226 319 G C 0.469 175.569 174.900 0.334 0.000 0.992 319 G CA 0.158 45.464 45.100 0.343 0.000 0.632 319 G HN 1.342 nan 8.290 nan 0.000 0.511 320 S N -0.970 114.832 115.700 0.171 0.000 3.550 320 S HA -0.237 4.233 4.470 -0.001 0.000 0.372 320 S C 0.295 174.907 174.600 0.019 0.000 0.966 320 S CA 0.894 59.129 58.200 0.058 0.000 1.229 320 S CB -1.491 61.689 63.200 -0.034 0.000 0.917 320 S HN 1.913 nan 8.310 nan 0.000 0.496 321 F N 1.391 121.255 119.950 -0.144 0.000 2.484 321 F HA 0.545 5.072 4.527 -0.001 0.000 0.360 321 F C 0.754 176.287 175.800 -0.444 0.000 1.101 321 F CA 0.523 58.204 58.000 -0.531 0.000 1.251 321 F CB 0.536 39.202 39.000 -0.558 0.000 1.132 321 F HN 0.260 nan 8.300 nan 0.000 0.570 322 G N 5.362 113.248 108.800 -1.523 0.000 2.746 322 G HA2 0.466 4.425 3.960 -0.001 0.000 0.297 322 G HA3 0.466 4.425 3.960 -0.001 0.000 0.297 322 G C -1.897 172.266 174.900 -1.229 0.000 1.426 322 G CA -0.812 43.530 45.100 -1.264 0.000 0.989 322 G HN 0.502 nan 8.290 nan 0.000 0.520 323 F N 1.142 120.613 119.950 -0.798 0.000 2.471 323 F HA 0.633 5.160 4.527 -0.001 0.000 0.353 323 F C 1.070 176.723 175.800 -0.245 0.000 1.113 323 F CA 0.399 58.183 58.000 -0.360 0.000 1.262 323 F CB 1.939 40.857 39.000 -0.136 0.000 1.146 323 F HN 0.408 nan 8.300 nan 0.000 0.578 324 S N 2.090 117.811 115.700 0.034 0.000 2.588 324 S HA 0.575 5.045 4.470 -0.001 0.000 0.275 324 S C -1.440 173.179 174.600 0.032 0.000 1.130 324 S CA -0.756 57.420 58.200 -0.040 0.000 0.855 324 S CB 0.708 63.802 63.200 -0.177 0.000 1.116 324 S HN 0.431 nan 8.310 nan 0.000 0.472 325 Y N 1.540 121.797 120.300 -0.071 0.000 2.320 325 Y HA 0.780 5.330 4.550 -0.001 0.000 0.324 325 Y C 0.119 175.891 175.900 -0.213 0.000 1.190 325 Y CA -0.569 57.420 58.100 -0.185 0.000 1.215 325 Y CB 0.732 38.954 38.460 -0.397 0.000 1.221 325 Y HN 0.604 nan 8.280 nan 0.000 0.486 326 S N 0.705 116.441 115.700 0.060 0.000 2.709 326 S HA 0.514 4.983 4.470 -0.001 0.000 0.302 326 S C -0.136 174.576 174.600 0.187 0.000 1.127 326 S CA -0.524 57.712 58.200 0.058 0.000 0.905 326 S CB 1.373 64.600 63.200 0.045 0.000 1.151 326 S HN 0.654 nan 8.310 nan 0.000 0.510 327 S N 0.662 116.458 115.700 0.161 0.000 2.575 327 S HA 0.228 4.698 4.470 -0.001 0.000 0.215 327 S C 0.473 175.119 174.600 0.077 0.000 0.966 327 S CA -0.437 57.868 58.200 0.175 0.000 0.911 327 S CB -0.630 62.658 63.200 0.147 0.000 0.780 327 S HN 0.697 nan 8.310 nan 0.000 0.514 328 N N 2.015 120.753 118.700 0.064 0.000 2.443 328 N HA 0.090 4.829 4.740 -0.001 0.000 0.295 328 N C -1.187 174.344 175.510 0.034 0.000 1.076 328 N CA 0.094 53.171 53.050 0.045 0.000 0.919 328 N CB 0.875 39.395 38.487 0.054 0.000 1.176 328 N HN -0.091 nan 8.380 nan 0.000 0.487 329 D N 1.990 122.402 120.400 0.021 0.000 2.737 329 D HA -0.176 4.463 4.640 -0.001 0.000 0.238 329 D C -0.790 175.510 176.300 -0.000 0.000 1.157 329 D CA 0.287 54.296 54.000 0.016 0.000 0.694 329 D CB -0.890 39.932 40.800 0.036 0.000 1.021 329 D HN 0.374 nan 8.370 nan 0.000 0.420 330 L N 1.275 122.482 121.223 -0.027 0.000 2.483 330 L HA 0.290 4.629 4.340 -0.001 0.000 0.276 330 L C -1.022 175.818 176.870 -0.050 0.000 1.213 330 L CA -0.562 54.244 54.840 -0.056 0.000 0.843 330 L CB -0.194 41.804 42.059 -0.102 0.000 1.107 330 L HN 0.201 nan 8.230 nan 0.000 0.487 331 P HA 0.087 nan 4.420 nan 0.000 0.272 331 P C -0.899 176.355 177.300 -0.077 0.000 1.223 331 P CA -0.480 62.589 63.100 -0.053 0.000 0.784 331 P CB 0.481 32.148 31.700 -0.054 0.000 0.923 332 K N 2.519 122.886 120.400 -0.056 0.000 2.382 332 K HA 0.203 4.523 4.320 -0.001 0.000 0.275 332 K C -1.962 174.588 176.600 -0.084 0.000 1.009 332 K CA -1.173 55.078 56.287 -0.060 0.000 0.970 332 K CB -0.569 31.910 32.500 -0.036 0.000 0.934 332 K HN 0.392 nan 8.250 nan 0.000 0.479 333 P HA -0.027 nan 4.420 nan 0.000 0.267 333 P C -1.114 176.145 177.300 -0.068 0.000 1.200 333 P CA 0.142 63.178 63.100 -0.107 0.000 0.772 333 P CB 0.529 32.179 31.700 -0.084 0.000 0.855 334 Q N 1.334 121.096 119.800 -0.062 0.000 2.340 334 Q HA 0.308 4.648 4.340 -0.001 0.000 0.268 334 Q C -0.497 175.457 176.000 -0.076 0.000 1.031 334 Q CA -0.935 54.845 55.803 -0.039 0.000 0.804 334 Q CB 2.311 31.056 28.738 0.012 0.000 1.286 334 Q HN 0.285 nan 8.270 nan 0.000 0.448 335 K N 2.799 123.167 120.400 -0.054 0.000 2.350 335 K HA 0.323 4.642 4.320 -0.001 0.000 0.279 335 K C -0.193 176.365 176.600 -0.070 0.000 1.027 335 K CA 0.123 56.382 56.287 -0.046 0.000 0.969 335 K CB 0.824 33.316 32.500 -0.014 0.000 0.954 335 K HN 0.404 nan 8.250 nan 0.000 0.474 336 R N 0.085 120.544 120.500 -0.069 0.000 2.867 336 R HA 0.144 4.483 4.340 -0.001 0.000 0.268 336 R C 1.046 177.393 176.300 0.078 0.000 1.014 336 R CA -0.471 55.602 56.100 -0.044 0.000 0.946 336 R CB 1.667 31.847 30.300 -0.201 0.000 1.208 336 R HN 0.761 nan 8.270 nan 0.000 0.477 337 S N -0.555 115.190 115.700 0.074 0.000 2.446 337 S HA 0.031 4.500 4.470 -0.001 0.000 0.225 337 S C 1.078 175.729 174.600 0.084 0.000 1.016 337 S CA 0.193 58.433 58.200 0.066 0.000 0.943 337 S CB 0.078 63.299 63.200 0.034 0.000 0.786 337 S HN 0.686 nan 8.310 nan 0.000 0.508 338 G N 0.920 109.796 108.800 0.125 0.000 2.572 338 G HA2 0.337 4.296 3.960 -0.001 0.000 0.261 338 G HA3 0.337 4.296 3.960 -0.001 0.000 0.261 338 G C 0.370 175.297 174.900 0.044 0.000 1.197 338 G CA -0.237 44.907 45.100 0.073 0.000 0.870 338 G HN 0.351 nan 8.290 nan 0.000 0.548 339 E N 0.247 120.440 120.200 -0.013 0.000 2.086 339 E HA -0.244 4.106 4.350 -0.001 0.000 0.200 339 E C 2.518 179.071 176.600 -0.079 0.000 1.012 339 E CA 1.682 58.061 56.400 -0.035 0.000 0.812 339 E CB -0.219 29.454 29.700 -0.047 0.000 0.743 339 E HN 0.485 nan 8.360 nan 0.000 0.453 340 A N -0.228 122.474 122.820 -0.196 0.000 2.015 340 A HA -0.094 4.225 4.320 -0.001 0.000 0.219 340 A C 1.389 178.761 177.584 -0.354 0.000 1.163 340 A CA 0.888 52.719 52.037 -0.343 0.000 0.646 340 A CB -0.392 18.273 19.000 -0.557 0.000 0.806 340 A HN 0.346 nan 8.150 nan 0.000 0.448 341 F N -0.761 119.194 119.950 0.008 0.000 2.641 341 F HA 0.403 4.930 4.527 -0.001 0.000 0.302 341 F C 2.113 177.922 175.800 0.016 0.000 1.098 341 F CA -0.364 57.649 58.000 0.021 0.000 1.318 341 F CB -0.431 38.586 39.000 0.028 0.000 1.035 341 F HN 0.222 nan 8.300 nan 0.000 0.551 342 A N -0.228 122.665 122.820 0.121 0.000 1.940 342 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 342 A C 1.627 179.256 177.584 0.075 0.000 1.176 342 A CA 2.063 54.148 52.037 0.081 0.000 0.631 342 A CB -0.316 18.707 19.000 0.038 0.000 0.814 342 A HN 0.243 nan 8.150 nan 0.000 0.446 343 D N -1.968 118.475 120.400 0.073 0.000 2.479 343 D HA 0.222 4.862 4.640 -0.001 0.000 0.218 343 D C 0.110 176.455 176.300 0.075 0.000 1.177 343 D CA 0.091 54.126 54.000 0.058 0.000 0.830 343 D CB 0.459 41.279 40.800 0.034 0.000 1.014 343 D HN 0.343 nan 8.370 nan 0.000 0.503 344 R N 1.067 121.644 120.500 0.128 0.000 2.522 344 R HA 0.132 4.471 4.340 -0.001 0.000 0.273 344 R C -1.603 174.840 176.300 0.238 0.000 1.133 344 R CA -0.531 55.661 56.100 0.154 0.000 0.969 344 R CB 1.710 32.103 30.300 0.156 0.000 1.235 344 R HN -0.229 nan 8.270 nan 0.000 0.433 345 D N 1.812 122.287 120.400 0.126 0.000 2.344 345 D HA 0.009 4.649 4.640 -0.001 0.000 0.244 345 D C -0.701 175.608 176.300 0.014 0.000 1.134 345 D CA 0.215 54.241 54.000 0.043 0.000 0.930 345 D CB 0.549 41.342 40.800 -0.013 0.000 1.175 345 D HN 0.326 nan 8.370 nan 0.000 0.437 346 Y N 0.673 120.733 120.300 -0.401 0.000 2.480 346 Y HA 0.372 4.922 4.550 -0.001 0.000 0.341 346 Y C -0.601 175.188 175.900 -0.184 0.000 1.031 346 Y CA -0.880 56.954 58.100 -0.443 0.000 1.295 346 Y CB 0.280 38.225 38.460 -0.858 0.000 1.162 346 Y HN 0.286 nan 8.280 nan 0.000 0.523 347 A N 8.098 130.600 122.820 -0.531 0.000 3.158 347 A HA 0.439 4.758 4.320 -0.001 0.000 0.302 347 A C -2.787 174.575 177.584 -0.371 0.000 1.162 347 A CA -1.287 50.495 52.037 -0.424 0.000 0.824 347 A CB -0.261 18.619 19.000 -0.200 0.000 1.322 347 A HN 0.616 nan 8.150 nan 0.000 0.510 348 P HA 0.091 nan 4.420 nan 0.000 0.265 348 P C 0.670 177.889 177.300 -0.134 0.000 1.187 348 P CA 0.275 63.275 63.100 -0.168 0.000 0.766 348 P CB 0.423 32.110 31.700 -0.022 0.000 0.820 349 N N 0.376 119.004 118.700 -0.121 0.000 2.515 349 N HA 0.038 4.778 4.740 -0.001 0.000 0.185 349 N C -0.270 174.697 175.510 -0.905 0.000 1.109 349 N CA 0.296 53.067 53.050 -0.464 0.000 0.903 349 N CB -0.031 38.152 38.487 -0.508 0.000 0.969 349 N HN 0.307 nan 8.380 nan 0.000 0.450 350 F N -0.888 118.913 119.950 -0.248 0.000 2.664 350 F HA 0.281 4.807 4.527 -0.001 0.000 0.317 350 F C -0.155 175.339 175.800 -0.510 0.000 1.108 350 F CA -1.334 56.374 58.000 -0.486 0.000 0.957 350 F CB 0.729 39.207 39.000 -0.870 0.000 1.365 350 F HN -0.258 nan 8.300 nan 0.000 0.475 351 N N 1.162 119.773 118.700 -0.148 0.000 2.469 351 N HA 0.170 4.909 4.740 -0.001 0.000 0.239 351 N C -0.319 175.119 175.510 -0.120 0.000 1.053 351 N CA -0.022 52.980 53.050 -0.079 0.000 0.937 351 N CB -0.020 38.474 38.487 0.012 0.000 1.163 351 N HN 0.448 nan 8.380 nan 0.000 0.509 352 F N 1.702 121.699 119.950 0.077 0.000 2.797 352 F HA 0.312 4.838 4.527 -0.001 0.000 0.302 352 F C 1.589 177.406 175.800 0.028 0.000 1.130 352 F CA 0.360 58.399 58.000 0.065 0.000 1.387 352 F CB -0.196 38.796 39.000 -0.013 0.000 1.107 352 F HN 0.615 nan 8.300 nan 0.000 0.577 353 G N 1.007 109.887 108.800 0.134 0.000 3.269 353 G HA2 0.170 4.130 3.960 -0.001 0.000 0.668 353 G HA3 0.170 4.130 3.960 -0.001 0.000 0.668 353 G C -0.243 174.643 174.900 -0.023 0.000 1.100 353 G CA -0.830 44.317 45.100 0.079 0.000 0.940 353 G HN 0.521 nan 8.290 nan 0.000 0.438 354 A N 2.782 125.602 122.820 -0.000 0.000 2.407 354 A HA 0.733 5.053 4.320 -0.001 0.000 0.248 354 A C 1.162 178.760 177.584 0.023 0.000 1.082 354 A CA 0.080 52.073 52.037 -0.073 0.000 0.785 354 A CB 0.142 19.149 19.000 0.011 0.000 1.020 354 A HN 1.095 nan 8.150 nan 0.000 0.489 355 F N 0.352 120.316 119.950 0.024 0.000 2.333 355 F HA -0.101 4.426 4.527 -0.001 0.000 0.300 355 F C 1.722 177.555 175.800 0.055 0.000 1.083 355 F CA 1.198 59.201 58.000 0.005 0.000 1.395 355 F CB -0.604 38.382 39.000 -0.025 0.000 1.056 355 F HN 0.594 nan 8.300 nan 0.000 0.529 356 D N 0.429 120.973 120.400 0.240 0.000 2.190 356 D HA -0.188 4.452 4.640 -0.001 0.000 0.200 356 D C 2.454 178.910 176.300 0.259 0.000 0.992 356 D CA 1.045 55.164 54.000 0.199 0.000 0.854 356 D CB -0.371 40.514 40.800 0.141 0.000 0.936 356 D HN 0.269 nan 8.370 nan 0.000 0.462 357 I N 0.464 121.224 120.570 0.316 0.000 2.248 357 I HA -0.279 3.890 4.170 -0.001 0.000 0.248 357 I C 2.294 178.717 176.117 0.510 0.000 1.107 357 I CA 0.697 62.285 61.300 0.480 0.000 1.373 357 I CB -0.162 38.101 38.000 0.438 0.000 1.055 357 I HN 0.017 nan 8.210 nan 0.000 0.418 358 L N -0.010 121.452 121.223 0.398 0.000 2.046 358 L HA -0.235 4.105 4.340 -0.001 0.000 0.208 358 L C 2.164 179.344 176.870 0.516 0.000 1.077 358 L CA 1.254 56.368 54.840 0.457 0.000 0.747 358 L CB -0.746 41.503 42.059 0.316 0.000 0.896 358 L HN 0.225 nan 8.230 nan 0.000 0.432 359 D N 0.268 120.897 120.400 0.381 0.000 2.117 359 D HA -0.139 4.500 4.640 -0.001 0.000 0.197 359 D C 2.174 178.689 176.300 0.359 0.000 0.987 359 D CA 1.533 55.751 54.000 0.364 0.000 0.829 359 D CB -0.414 40.518 40.800 0.220 0.000 0.961 359 D HN 0.339 nan 8.370 nan 0.000 0.460 360 G N 0.849 109.836 108.800 0.312 0.000 2.440 360 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.218 360 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.218 360 G C 1.809 176.965 174.900 0.427 0.000 1.154 360 G CA 0.487 45.708 45.100 0.201 0.000 0.767 360 G HN 0.259 nan 8.290 nan 0.000 0.552 361 L N -1.186 120.390 121.223 0.589 0.000 2.017 361 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 361 L C 2.586 179.665 176.870 0.347 0.000 1.073 361 L CA 1.362 56.493 54.840 0.485 0.000 0.745 361 L CB -0.568 41.739 42.059 0.412 0.000 0.894 361 L HN 0.281 nan 8.230 nan 0.000 0.432 362 Y N 1.317 121.738 120.300 0.202 0.000 2.207 362 Y HA -0.237 4.312 4.550 -0.001 0.000 0.287 362 Y C 2.217 178.288 175.900 0.285 0.000 1.156 362 Y CA 1.552 59.723 58.100 0.118 0.000 1.182 362 Y CB -0.200 38.271 38.460 0.019 0.000 0.979 362 Y HN 0.235 nan 8.280 nan 0.000 0.521 363 N N 0.795 119.629 118.700 0.223 0.000 2.521 363 N HA -0.076 4.663 4.740 -0.001 0.000 0.188 363 N C 0.096 175.635 175.510 0.048 0.000 1.146 363 N CA 0.340 53.456 53.050 0.110 0.000 0.893 363 N CB -0.319 38.255 38.487 0.144 0.000 0.975 363 N HN 0.529 nan 8.380 nan 0.000 0.451 364 Q N 1.135 120.985 119.800 0.083 0.000 2.286 364 Q HA -0.041 4.299 4.340 -0.001 0.000 0.290 364 Q C 0.550 176.518 176.000 -0.052 0.000 1.049 364 Q CA 0.573 56.413 55.803 0.062 0.000 0.923 364 Q CB 0.644 29.447 28.738 0.107 0.000 1.183 364 Q HN 0.128 nan 8.270 nan 0.000 0.383 365 K N 2.258 122.648 120.400 -0.018 0.000 2.323 365 K HA -0.013 4.307 4.320 -0.001 0.000 0.197 365 K C 0.207 176.772 176.600 -0.058 0.000 1.043 365 K CA 0.622 56.879 56.287 -0.049 0.000 0.997 365 K CB 0.388 32.882 32.500 -0.009 0.000 0.807 365 K HN 0.691 nan 8.250 nan 0.000 0.497 366 Q N -0.368 119.421 119.800 -0.018 0.000 2.630 366 Q HA 0.261 4.600 4.340 -0.001 0.000 0.295 366 Q C -0.921 175.106 176.000 0.044 0.000 0.944 366 Q CA -0.968 54.834 55.803 -0.003 0.000 0.766 366 Q CB 1.231 29.992 28.738 0.038 0.000 1.471 366 Q HN -0.010 nan 8.270 nan 0.000 0.416 367 S N -0.158 115.581 115.700 0.064 0.000 2.580 367 S HA 0.064 4.534 4.470 -0.001 0.000 0.266 367 S C 0.614 175.363 174.600 0.248 0.000 1.354 367 S CA -0.369 57.895 58.200 0.107 0.000 1.008 367 S CB 0.089 63.369 63.200 0.133 0.000 0.898 367 S HN 0.581 nan 8.310 nan 0.000 0.555 368 Y N 0.534 120.886 120.300 0.087 0.000 2.151 368 Y HA -0.180 4.369 4.550 -0.001 0.000 0.284 368 Y C 2.248 178.202 175.900 0.090 0.000 1.166 368 Y CA 1.439 59.582 58.100 0.072 0.000 1.163 368 Y CB -1.542 36.950 38.460 0.053 0.000 0.974 368 Y HN 0.927 nan 8.280 nan 0.000 0.511 369 Y N 0.149 120.564 120.300 0.192 0.000 2.128 369 Y HA -0.200 4.349 4.550 -0.001 0.000 0.284 369 Y C 2.575 178.533 175.900 0.096 0.000 1.154 369 Y CA 1.837 60.007 58.100 0.116 0.000 1.149 369 Y CB -0.678 37.837 38.460 0.091 0.000 0.976 369 Y HN 0.050 nan 8.280 nan 0.000 0.505 370 G N -0.054 108.902 108.800 0.260 0.000 2.418 370 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.217 370 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.217 370 G C 1.588 176.525 174.900 0.061 0.000 1.158 370 G CA 1.215 46.406 45.100 0.152 0.000 0.771 370 G HN 0.445 nan 8.290 nan 0.000 0.545 371 M N -0.086 119.562 119.600 0.081 0.000 2.086 371 M HA 0.043 4.522 4.480 -0.001 0.000 0.261 371 M C 2.574 178.889 176.300 0.024 0.000 1.067 371 M CA 1.318 56.650 55.300 0.053 0.000 1.116 371 M CB -0.391 32.239 32.600 0.051 0.000 1.348 371 M HN 0.175 nan 8.290 nan 0.000 0.407 372 I N -0.506 120.048 120.570 -0.025 0.000 2.315 372 I HA -0.225 3.945 4.170 -0.001 0.000 0.248 372 I C 2.435 178.535 176.117 -0.029 0.000 1.117 372 I CA 1.001 62.281 61.300 -0.034 0.000 1.404 372 I CB -0.364 37.583 38.000 -0.087 0.000 1.071 372 I HN 0.211 nan 8.210 nan 0.000 0.419 373 S N 0.103 115.699 115.700 -0.173 0.000 2.368 373 S HA -0.237 4.232 4.470 -0.001 0.000 0.225 373 S C 1.944 176.514 174.600 -0.049 0.000 1.030 373 S CA 1.439 59.527 58.200 -0.186 0.000 0.999 373 S CB -0.289 62.721 63.200 -0.316 0.000 0.844 373 S HN 0.488 nan 8.310 nan 0.000 0.459 374 E N 0.363 120.563 120.200 0.001 0.000 2.058 374 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 374 E C 1.860 178.493 176.600 0.055 0.000 0.997 374 E CA 1.156 57.575 56.400 0.031 0.000 0.801 374 E CB -0.235 29.495 29.700 0.051 0.000 0.746 374 E HN 0.501 nan 8.360 nan 0.000 0.450 375 F N 1.621 121.540 119.950 -0.051 0.000 2.095 375 F HA -0.182 4.344 4.527 -0.001 0.000 0.298 375 F C 2.198 177.970 175.800 -0.046 0.000 1.104 375 F CA 1.828 59.801 58.000 -0.044 0.000 1.232 375 F CB -0.119 38.852 39.000 -0.049 0.000 0.987 375 F HN 0.043 nan 8.300 nan 0.000 0.475 376 Q N -0.261 119.530 119.800 -0.015 0.000 2.436 376 Q HA -0.105 4.234 4.340 -0.001 0.000 0.209 376 Q C 1.623 177.539 176.000 -0.140 0.000 0.965 376 Q CA 0.815 56.552 55.803 -0.111 0.000 0.910 376 Q CB -0.075 28.665 28.738 0.004 0.000 0.980 376 Q HN 0.451 nan 8.270 nan 0.000 0.491 377 K N 0.091 120.422 120.400 -0.115 0.000 2.444 377 K HA 0.133 4.452 4.320 -0.001 0.000 0.193 377 K C 0.201 176.732 176.600 -0.115 0.000 1.024 377 K CA -0.066 56.165 56.287 -0.094 0.000 1.077 377 K CB 0.342 32.808 32.500 -0.058 0.000 0.833 377 K HN 0.122 nan 8.250 nan 0.000 0.517 378 L N 1.722 122.837 121.223 -0.180 0.000 2.464 378 L HA 0.038 4.378 4.340 -0.001 0.000 0.264 378 L C 0.267 177.034 176.870 -0.170 0.000 1.199 378 L CA -0.471 54.262 54.840 -0.179 0.000 0.818 378 L CB 0.336 42.242 42.059 -0.256 0.000 1.102 378 L HN 0.087 nan 8.230 nan 0.000 0.473 379 D N 1.443 121.769 120.400 -0.123 0.000 2.488 379 D HA -0.073 4.567 4.640 -0.001 0.000 0.238 379 D C 0.863 177.086 176.300 -0.129 0.000 1.138 379 D CA 0.252 54.191 54.000 -0.102 0.000 0.873 379 D CB 0.803 41.561 40.800 -0.071 0.000 1.183 379 D HN 0.434 nan 8.370 nan 0.000 0.458 380 K N 1.309 121.644 120.400 -0.108 0.000 2.127 380 K HA -0.228 4.091 4.320 -0.001 0.000 0.208 380 K C 1.770 178.314 176.600 -0.093 0.000 1.047 380 K CA 1.656 57.878 56.287 -0.108 0.000 0.927 380 K CB 0.008 32.467 32.500 -0.069 0.000 0.716 380 K HN 0.448 nan 8.250 nan 0.000 0.450 381 S N 0.046 115.704 115.700 -0.069 0.000 2.447 381 S HA -0.106 4.364 4.470 -0.001 0.000 0.233 381 S C 1.620 176.190 174.600 -0.050 0.000 1.006 381 S CA 0.764 58.936 58.200 -0.048 0.000 0.957 381 S CB -0.107 63.072 63.200 -0.034 0.000 0.773 381 S HN 0.214 nan 8.310 nan 0.000 0.507 382 L N 0.825 121.998 121.223 -0.083 0.000 2.567 382 L HA 0.300 4.640 4.340 -0.001 0.000 0.225 382 L C 1.243 178.046 176.870 -0.111 0.000 1.119 382 L CA 0.682 55.476 54.840 -0.078 0.000 0.871 382 L CB -0.472 41.535 42.059 -0.088 0.000 1.036 382 L HN 0.322 nan 8.230 nan 0.000 0.459 383 Q N 0.877 120.565 119.800 -0.186 0.000 3.026 383 Q HA 0.141 4.481 4.340 -0.001 0.000 0.258 383 Q C 0.145 176.231 176.000 0.143 0.000 1.388 383 Q CA -0.133 55.482 55.803 -0.314 0.000 1.000 383 Q CB -0.171 28.258 28.738 -0.515 0.000 1.634 383 Q HN 0.348 nan 8.270 nan 0.000 0.571 384 T N -3.149 111.557 114.554 0.253 0.000 2.952 384 T HA 0.364 4.713 4.350 -0.001 0.000 0.286 384 T C -1.866 172.973 174.700 0.231 0.000 1.024 384 T CA -2.166 60.060 62.100 0.210 0.000 1.029 384 T CB 1.596 70.530 68.868 0.111 0.000 1.094 384 T HN 0.012 nan 8.240 nan 0.000 0.515 385 P HA -0.070 nan 4.420 nan 0.000 0.218 385 P C 0.976 178.274 177.300 -0.003 0.000 1.149 385 P CA 1.109 64.207 63.100 -0.003 0.000 0.817 385 P CB 0.165 31.859 31.700 -0.010 0.000 0.785 386 E N 0.279 120.501 120.200 0.036 0.000 2.077 386 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 386 E C 2.063 178.695 176.600 0.052 0.000 0.989 386 E CA 1.290 57.710 56.400 0.033 0.000 0.800 386 E CB -0.622 29.100 29.700 0.036 0.000 0.746 386 E HN 0.111 nan 8.360 nan 0.000 0.452 387 K N 0.512 120.982 120.400 0.117 0.000 2.057 387 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 387 K C 1.848 178.544 176.600 0.159 0.000 1.050 387 K CA 0.670 57.061 56.287 0.173 0.000 0.935 387 K CB -0.435 32.221 32.500 0.260 0.000 0.715 387 K HN 0.137 nan 8.250 nan 0.000 0.439 388 L N 0.424 121.657 121.223 0.016 0.000 2.046 388 L HA -0.006 4.334 4.340 -0.001 0.000 0.208 388 L C 2.072 178.845 176.870 -0.162 0.000 1.077 388 L CA 2.195 56.830 54.840 -0.341 0.000 0.747 388 L CB -1.057 40.462 42.059 -0.899 0.000 0.896 388 L HN 0.214 nan 8.230 nan 0.000 0.432 389 A N -0.821 121.938 122.820 -0.102 0.000 1.908 389 A HA -0.281 4.039 4.320 -0.001 0.000 0.218 389 A C 2.328 179.903 177.584 -0.015 0.000 1.181 389 A CA 1.826 53.830 52.037 -0.055 0.000 0.627 389 A CB -0.779 18.202 19.000 -0.032 0.000 0.818 389 A HN 0.644 nan 8.150 nan 0.000 0.445 390 E N -0.157 120.048 120.200 0.008 0.000 2.058 390 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 390 E C 1.898 178.515 176.600 0.028 0.000 0.997 390 E CA 1.480 57.895 56.400 0.025 0.000 0.801 390 E CB -0.235 29.489 29.700 0.040 0.000 0.746 390 E HN 0.676 nan 8.360 nan 0.000 0.450 391 I N 0.417 121.008 120.570 0.035 0.000 2.179 391 I HA -0.254 3.915 4.170 -0.001 0.000 0.242 391 I C 2.463 178.595 176.117 0.025 0.000 1.088 391 I CA 0.702 62.026 61.300 0.041 0.000 1.357 391 I CB -0.178 37.863 38.000 0.069 0.000 1.051 391 I HN 0.061 nan 8.210 nan 0.000 0.409 392 V N 1.347 121.259 119.914 -0.004 0.000 2.332 392 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 392 V C 2.082 178.201 176.094 0.041 0.000 1.055 392 V CA 2.012 64.316 62.300 0.007 0.000 1.038 392 V CB -0.825 30.975 31.823 -0.038 0.000 0.651 392 V HN 0.462 nan 8.190 nan 0.000 0.450 393 N N 0.095 118.813 118.700 0.030 0.000 2.270 393 N HA -0.138 4.601 4.740 -0.001 0.000 0.181 393 N C 1.784 177.313 175.510 0.031 0.000 1.016 393 N CA 1.108 54.179 53.050 0.035 0.000 0.870 393 N CB -0.317 38.186 38.487 0.025 0.000 0.979 393 N HN 0.535 nan 8.380 nan 0.000 0.431 394 K N 0.455 120.873 120.400 0.031 0.000 2.288 394 K HA 0.096 4.415 4.320 -0.001 0.000 0.201 394 K C 0.627 177.247 176.600 0.033 0.000 1.048 394 K CA 0.816 57.120 56.287 0.028 0.000 0.956 394 K CB 0.222 32.739 32.500 0.029 0.000 0.746 394 K HN 0.082 nan 8.250 nan 0.000 0.461 395 N N 0.400 119.128 118.700 0.046 0.000 2.187 395 N HA 0.021 4.760 4.740 -0.001 0.000 0.212 395 N C -0.728 174.830 175.510 0.080 0.000 1.152 395 N CA 0.246 53.330 53.050 0.055 0.000 0.872 395 N CB 1.308 39.833 38.487 0.063 0.000 1.025 395 N HN 0.187 nan 8.380 nan 0.000 0.514 396 S N -0.749 115.002 115.700 0.084 0.000 2.656 396 S HA 0.387 4.856 4.470 -0.001 0.000 0.273 396 S C -0.432 174.187 174.600 0.031 0.000 1.168 396 S CA -0.636 57.638 58.200 0.123 0.000 0.817 396 S CB 2.044 65.393 63.200 0.247 0.000 1.146 396 S HN -0.175 nan 8.310 nan 0.000 0.475 397 E N 0.160 120.304 120.200 -0.094 0.000 2.499 397 E HA 0.313 4.662 4.350 -0.001 0.000 0.199 397 E C -1.215 174.949 176.600 -0.727 0.000 1.016 397 E CA 0.142 56.303 56.400 -0.399 0.000 0.933 397 E CB -0.071 29.327 29.700 -0.505 0.000 1.050 397 E HN 0.589 nan 8.360 nan 0.000 0.462 398 F N 2.270 122.290 119.950 0.117 0.000 2.564 398 F HA 0.312 4.839 4.527 -0.001 0.000 0.361 398 F C -2.134 173.718 175.800 0.086 0.000 1.161 398 F CA -2.551 55.518 58.000 0.115 0.000 1.198 398 F CB 1.200 40.290 39.000 0.150 0.000 1.424 398 F HN -0.204 nan 8.300 nan 0.000 0.517 399 P HA 0.303 nan 4.420 nan 0.000 0.272 399 P C -0.315 177.044 177.300 0.098 0.000 1.223 399 P CA -0.066 63.092 63.100 0.097 0.000 0.784 399 P CB 1.737 33.470 31.700 0.055 0.000 0.923 400 I N -1.790 118.816 120.570 0.060 0.000 2.846 400 I HA 0.635 4.805 4.170 -0.001 0.000 0.307 400 I C 0.193 176.320 176.117 0.017 0.000 1.053 400 I CA -0.982 60.340 61.300 0.037 0.000 1.050 400 I CB 2.260 40.267 38.000 0.011 0.000 1.239 400 I HN 0.278 nan 8.210 nan 0.000 0.439 401 T N 0.948 115.509 114.554 0.011 0.000 2.847 401 T HA 0.562 4.912 4.350 -0.001 0.000 0.279 401 T C 1.150 175.844 174.700 -0.010 0.000 0.984 401 T CA -0.119 61.984 62.100 0.005 0.000 0.988 401 T CB 1.609 70.483 68.868 0.009 0.000 1.040 401 T HN 0.864 nan 8.240 nan 0.000 0.528 402 A N 0.455 123.270 122.820 -0.008 0.000 1.940 402 A HA -0.073 4.247 4.320 -0.001 0.000 0.219 402 A C 2.315 179.887 177.584 -0.019 0.000 1.176 402 A CA 1.225 53.253 52.037 -0.015 0.000 0.631 402 A CB -0.881 18.118 19.000 -0.003 0.000 0.814 402 A HN 0.873 nan 8.150 nan 0.000 0.446 403 E N 0.058 120.251 120.200 -0.011 0.000 2.077 403 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 403 E C 2.187 178.775 176.600 -0.020 0.000 0.989 403 E CA 1.446 57.840 56.400 -0.012 0.000 0.800 403 E CB -0.426 29.272 29.700 -0.004 0.000 0.746 403 E HN 0.796 nan 8.360 nan 0.000 0.452 404 Q N 0.043 119.831 119.800 -0.020 0.000 2.084 404 Q HA -0.066 4.273 4.340 -0.001 0.000 0.202 404 Q C 2.163 178.129 176.000 -0.057 0.000 0.978 404 Q CA 1.320 57.106 55.803 -0.028 0.000 0.844 404 Q CB -0.170 28.558 28.738 -0.016 0.000 0.898 404 Q HN 0.225 nan 8.270 nan 0.000 0.426 405 A N 1.537 124.314 122.820 -0.071 0.000 1.940 405 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 405 A C 1.995 179.512 177.584 -0.112 0.000 1.176 405 A CA 1.610 53.575 52.037 -0.120 0.000 0.631 405 A CB -0.435 18.482 19.000 -0.137 0.000 0.814 405 A HN 0.219 nan 8.150 nan 0.000 0.446 406 K N -0.248 120.112 120.400 -0.067 0.000 2.103 406 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 406 K C 1.563 178.134 176.600 -0.048 0.000 1.048 406 K CA 1.579 57.837 56.287 -0.047 0.000 0.930 406 K CB -0.193 32.292 32.500 -0.024 0.000 0.716 406 K HN 0.469 nan 8.250 nan 0.000 0.444 407 N N 0.466 119.136 118.700 -0.050 0.000 2.166 407 N HA -0.135 4.605 4.740 -0.001 0.000 0.186 407 N C 1.752 177.222 175.510 -0.066 0.000 1.019 407 N CA 1.177 54.198 53.050 -0.049 0.000 0.856 407 N CB -0.325 38.137 38.487 -0.043 0.000 0.993 407 N HN 0.019 nan 8.380 nan 0.000 0.426 408 V N 1.278 121.136 119.914 -0.093 0.000 2.594 408 V HA -0.101 4.018 4.120 -0.001 0.000 0.253 408 V C 2.026 178.058 176.094 -0.104 0.000 1.069 408 V CA 1.084 63.313 62.300 -0.119 0.000 1.082 408 V CB -0.383 31.335 31.823 -0.175 0.000 0.680 408 V HN 0.246 nan 8.190 nan 0.000 0.469 409 L N -0.239 120.929 121.223 -0.091 0.000 2.567 409 L HA 0.347 4.687 4.340 -0.001 0.000 0.225 409 L C 1.296 178.156 176.870 -0.016 0.000 1.119 409 L CA -0.064 54.746 54.840 -0.050 0.000 0.871 409 L CB -0.267 41.770 42.059 -0.037 0.000 1.036 409 L HN 0.269 nan 8.230 nan 0.000 0.459 410 A N -0.130 122.675 122.820 -0.025 0.000 2.407 410 A HA 0.531 4.850 4.320 -0.001 0.000 0.248 410 A C 0.202 177.781 177.584 -0.008 0.000 1.082 410 A CA 0.082 52.111 52.037 -0.014 0.000 0.785 410 A CB 0.468 19.456 19.000 -0.020 0.000 1.020 410 A HN 0.168 nan 8.150 nan 0.000 0.489 411 S N 0.081 115.780 115.700 -0.001 0.000 2.634 411 S HA 0.742 5.212 4.470 -0.001 0.000 0.296 411 S C -0.555 174.045 174.600 -0.000 0.000 1.104 411 S CA -0.812 57.391 58.200 0.004 0.000 0.920 411 S CB 1.814 65.021 63.200 0.011 0.000 1.111 411 S HN 0.877 nan 8.310 nan 0.000 0.493 412 K N -0.648 119.752 120.400 0.001 0.000 2.533 412 K HA 0.613 4.933 4.320 -0.001 0.000 0.272 412 K C -3.542 173.053 176.600 -0.009 0.000 0.985 412 K CA -2.373 53.910 56.287 -0.007 0.000 0.876 412 K CB 0.932 33.425 32.500 -0.010 0.000 1.452 412 K HN 0.164 nan 8.250 nan 0.000 0.439 413 P HA -0.051 nan 4.420 nan 0.000 0.265 413 P C -0.934 176.340 177.300 -0.043 0.000 1.193 413 P CA -0.099 62.982 63.100 -0.031 0.000 0.765 413 P CB 0.300 31.974 31.700 -0.043 0.000 0.823 414 N N 4.718 123.397 118.700 -0.035 0.000 2.438 414 N HA 0.020 4.760 4.740 -0.001 0.000 0.267 414 N C -1.621 173.806 175.510 -0.138 0.000 1.222 414 N CA -1.504 51.524 53.050 -0.037 0.000 0.930 414 N CB 0.036 38.521 38.487 -0.002 0.000 1.083 414 N HN 0.209 nan 8.380 nan 0.000 0.476 415 P HA 0.069 nan 4.420 nan 0.000 0.245 415 P C -0.656 176.119 177.300 -0.875 0.000 1.212 415 P CA 0.838 63.565 63.100 -0.621 0.000 0.774 415 P CB 0.065 31.243 31.700 -0.871 0.000 0.999 416 Y N -1.289 118.977 120.300 -0.056 0.000 2.666 416 Y HA 0.316 4.865 4.550 -0.001 0.000 0.264 416 Y C 0.799 176.640 175.900 -0.097 0.000 1.054 416 Y CA -1.023 57.025 58.100 -0.087 0.000 1.121 416 Y CB -0.046 38.342 38.460 -0.120 0.000 1.190 416 Y HN -0.229 nan 8.280 nan 0.000 0.587 417 R N 1.850 122.341 120.500 -0.014 0.000 2.537 417 R HA 0.441 4.781 4.340 -0.001 0.000 0.280 417 R C -1.214 175.078 176.300 -0.013 0.000 1.058 417 R CA 0.195 56.288 56.100 -0.012 0.000 1.057 417 R CB 0.310 30.599 30.300 -0.019 0.000 0.973 417 R HN 0.370 nan 8.270 nan 0.000 0.438 418 L N 4.359 125.577 121.223 -0.009 0.000 2.441 418 L HA 0.326 4.666 4.340 -0.001 0.000 0.270 418 L C 0.789 177.691 176.870 0.054 0.000 0.973 418 L CA -0.558 54.292 54.840 0.017 0.000 0.842 418 L CB 1.978 44.042 42.059 0.008 0.000 1.239 418 L HN 0.837 nan 8.230 nan 0.000 0.406 419 A N 2.106 124.948 122.820 0.038 0.000 1.948 419 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 419 A C 1.611 179.218 177.584 0.039 0.000 1.177 419 A CA 1.530 53.586 52.037 0.032 0.000 0.636 419 A CB -0.120 18.890 19.000 0.017 0.000 0.815 419 A HN 0.765 nan 8.150 nan 0.000 0.449 420 Q N -0.997 118.830 119.800 0.045 0.000 2.247 420 Q HA 0.113 4.452 4.340 -0.001 0.000 0.204 420 Q C -0.245 175.768 176.000 0.023 0.000 0.872 420 Q CA -0.025 55.790 55.803 0.021 0.000 0.951 420 Q CB -0.189 28.549 28.738 0.000 0.000 1.099 420 Q HN 0.882 nan 8.270 nan 0.000 0.501 421 H N 0.766 119.817 119.070 -0.030 0.000 2.652 421 H HA 0.062 4.618 4.556 -0.001 0.000 0.349 421 H C 1.376 176.654 175.328 -0.083 0.000 1.099 421 H CA 0.375 56.401 56.048 -0.037 0.000 1.417 421 H CB 1.040 30.803 29.762 0.002 0.000 1.457 421 H HN -0.126 nan 8.280 nan 0.000 0.568 422 K N 2.860 123.028 120.400 -0.386 0.000 2.103 422 K HA -0.188 4.132 4.320 -0.001 0.000 0.207 422 K C 0.350 176.706 176.600 -0.405 0.000 1.048 422 K CA 1.753 57.755 56.287 -0.474 0.000 0.930 422 K CB 0.133 32.158 32.500 -0.791 0.000 0.716 422 K HN 0.667 nan 8.250 nan 0.000 0.444 423 Y N -1.072 119.433 120.300 0.342 0.000 2.535 423 Y HA 0.206 4.755 4.550 -0.001 0.000 0.264 423 Y C 1.180 177.184 175.900 0.172 0.000 1.087 423 Y CA -0.078 58.183 58.100 0.267 0.000 1.285 423 Y CB 0.546 39.138 38.460 0.219 0.000 1.200 423 Y HN -0.129 nan 8.280 nan 0.000 0.514 424 L N 0.242 121.646 121.223 0.301 0.000 2.700 424 L HA 0.131 4.471 4.340 -0.001 0.000 0.234 424 L C 1.762 178.659 176.870 0.044 0.000 1.156 424 L CA 0.381 55.224 54.840 0.005 0.000 0.946 424 L CB -0.096 41.745 42.059 -0.364 0.000 1.216 424 L HN 0.173 nan 8.230 nan 0.000 0.493 425 S N -0.641 115.116 115.700 0.095 0.000 2.527 425 S HA 0.149 4.618 4.470 -0.001 0.000 0.222 425 S C 1.138 175.765 174.600 0.044 0.000 0.985 425 S CA 0.049 58.288 58.200 0.064 0.000 0.921 425 S CB -0.011 63.225 63.200 0.061 0.000 0.772 425 S HN 0.245 nan 8.310 nan 0.000 0.529 426 A N 1.651 124.502 122.820 0.051 0.000 2.425 426 A HA 0.323 4.642 4.320 -0.001 0.000 0.249 426 A C 1.146 178.746 177.584 0.026 0.000 1.084 426 A CA -0.099 51.963 52.037 0.042 0.000 0.781 426 A CB 0.115 19.148 19.000 0.055 0.000 1.019 426 A HN 0.531 nan 8.150 nan 0.000 0.490 427 E N 1.008 121.219 120.200 0.018 0.000 2.072 427 E HA -0.102 4.248 4.350 -0.001 0.000 0.191 427 E C 0.156 176.759 176.600 0.005 0.000 0.985 427 E CA 1.020 57.424 56.400 0.007 0.000 0.801 427 E CB 0.118 29.821 29.700 0.004 0.000 0.750 427 E HN 0.782 nan 8.360 nan 0.000 0.452 428 E N 0.142 120.351 120.200 0.014 0.000 2.256 428 E HA 0.352 4.701 4.350 -0.001 0.000 0.267 428 E C -1.060 175.558 176.600 0.030 0.000 0.892 428 E CA -0.671 55.738 56.400 0.015 0.000 0.775 428 E CB 2.571 32.278 29.700 0.012 0.000 1.207 428 E HN 0.067 nan 8.360 nan 0.000 0.420 429 V N -0.969 118.964 119.914 0.033 0.000 3.040 429 V HA 0.583 4.702 4.120 -0.001 0.000 0.312 429 V C -2.779 173.339 176.094 0.040 0.000 1.115 429 V CA -2.959 59.371 62.300 0.050 0.000 0.998 429 V CB 1.499 33.365 31.823 0.072 0.000 1.042 429 V HN 0.461 nan 8.190 nan 0.000 0.433 430 P HA 0.227 nan 4.420 nan 0.000 0.262 430 P C -0.299 177.006 177.300 0.009 0.000 1.182 430 P CA 0.579 63.693 63.100 0.022 0.000 0.761 430 P CB 0.380 32.097 31.700 0.028 0.000 0.795 431 A N 5.447 128.260 122.820 -0.011 0.000 2.376 431 A HA 0.298 4.617 4.320 -0.001 0.000 0.298 431 A C 0.083 177.638 177.584 -0.050 0.000 1.271 431 A CA -0.143 51.883 52.037 -0.018 0.000 0.926 431 A CB -0.641 18.348 19.000 -0.018 0.000 1.141 431 A HN 0.410 nan 8.150 nan 0.000 0.539 432 I N 3.333 123.869 120.570 -0.057 0.000 2.336 432 I HA 0.122 4.291 4.170 -0.001 0.000 0.292 432 I C 0.730 176.816 176.117 -0.050 0.000 0.991 432 I CA -0.108 61.116 61.300 -0.127 0.000 1.227 432 I CB 1.208 39.053 38.000 -0.259 0.000 1.366 432 I HN 0.810 nan 8.210 nan 0.000 0.466 433 N N 3.537 122.206 118.700 -0.051 0.000 2.109 433 N HA -0.070 4.669 4.740 -0.001 0.000 0.188 433 N C -0.394 175.109 175.510 -0.011 0.000 1.034 433 N CA 0.806 53.843 53.050 -0.022 0.000 0.846 433 N CB 0.246 38.719 38.487 -0.023 0.000 1.010 433 N HN 0.562 nan 8.380 nan 0.000 0.425 434 D N -0.499 119.902 120.400 0.003 0.000 2.248 434 D HA 0.248 4.888 4.640 -0.001 0.000 0.246 434 D C -0.279 176.129 176.300 0.181 0.000 1.027 434 D CA -0.565 53.405 54.000 -0.050 0.000 0.853 434 D CB 1.065 41.820 40.800 -0.075 0.000 1.243 434 D HN 0.049 nan 8.370 nan 0.000 0.462 435 F N 0.512 120.614 119.950 0.252 0.000 3.080 435 F HA -0.225 4.301 4.527 -0.001 0.000 0.292 435 F C 1.337 177.494 175.800 0.596 0.000 0.891 435 F CA 0.303 58.572 58.000 0.449 0.000 1.086 435 F CB -1.704 37.537 39.000 0.402 0.000 1.095 435 F HN 0.366 nan 8.300 nan 0.000 0.633 436 D N 0.185 120.873 120.400 0.480 0.000 2.310 436 D HA 0.004 4.643 4.640 -0.001 0.000 0.212 436 D C 1.845 178.340 176.300 0.324 0.000 0.965 436 D CA 1.074 55.338 54.000 0.440 0.000 0.879 436 D CB -0.380 40.602 40.800 0.302 0.000 0.921 436 D HN 0.463 nan 8.370 nan 0.000 0.510 437 A N -0.646 122.196 122.820 0.036 0.000 2.209 437 A HA 0.100 4.419 4.320 -0.001 0.000 0.212 437 A C 0.983 178.122 177.584 -0.742 0.000 1.158 437 A CA 0.173 51.744 52.037 -0.777 0.000 0.742 437 A CB -0.809 17.607 19.000 -0.972 0.000 0.790 437 A HN 0.249 nan 8.150 nan 0.000 0.472 438 F N -2.243 117.682 119.950 -0.041 0.000 2.668 438 F HA 0.374 4.900 4.527 -0.001 0.000 0.301 438 F C -0.331 175.147 175.800 -0.537 0.000 1.106 438 F CA -0.282 57.571 58.000 -0.246 0.000 1.289 438 F CB 0.342 39.207 39.000 -0.224 0.000 1.006 438 F HN 0.116 nan 8.300 nan 0.000 0.535 439 F N 1.666 121.645 119.950 0.048 0.000 2.622 439 F HA 0.353 4.879 4.527 -0.001 0.000 0.338 439 F C -1.874 173.886 175.800 -0.067 0.000 1.334 439 F CA -1.636 56.391 58.000 0.044 0.000 1.179 439 F CB 0.703 39.770 39.000 0.112 0.000 1.471 439 F HN -0.187 nan 8.300 nan 0.000 0.576 440 P HA 0.005 nan 4.420 nan 0.000 0.251 440 P C 0.399 177.547 177.300 -0.253 0.000 1.223 440 P CA 0.710 63.622 63.100 -0.313 0.000 0.796 440 P CB 0.145 31.471 31.700 -0.624 0.000 1.068 441 Y N 0.784 121.113 120.300 0.049 0.000 2.493 441 Y HA 0.214 4.763 4.550 -0.001 0.000 0.275 441 Y C 0.758 176.714 175.900 0.094 0.000 1.183 441 Y CA -0.762 57.355 58.100 0.028 0.000 1.258 441 Y CB -0.892 37.513 38.460 -0.093 0.000 1.108 441 Y HN -0.036 nan 8.280 nan 0.000 0.521 442 N N 1.167 119.996 118.700 0.215 0.000 2.740 442 N HA -0.223 4.517 4.740 -0.001 0.000 0.248 442 N C -0.978 174.627 175.510 0.158 0.000 1.062 442 N CA 1.061 54.212 53.050 0.168 0.000 0.704 442 N CB -0.860 37.724 38.487 0.161 0.000 0.968 442 N HN 0.391 nan 8.380 nan 0.000 0.547 443 D N 0.096 120.600 120.400 0.173 0.000 2.440 443 D HA 0.243 4.883 4.640 -0.001 0.000 0.239 443 D C 1.068 177.432 176.300 0.106 0.000 1.084 443 D CA -0.521 53.571 54.000 0.154 0.000 0.843 443 D CB 0.740 41.657 40.800 0.195 0.000 1.097 443 D HN 0.082 nan 8.370 nan 0.000 0.531 444 R N 1.939 122.473 120.500 0.057 0.000 2.280 444 R HA 0.037 4.377 4.340 -0.001 0.000 0.207 444 R C 1.879 178.158 176.300 -0.034 0.000 1.043 444 R CA 0.645 56.743 56.100 -0.003 0.000 1.006 444 R CB 0.180 30.459 30.300 -0.035 0.000 0.885 444 R HN 0.435 nan 8.270 nan 0.000 0.467 445 G N 1.675 110.497 108.800 0.036 0.000 2.442 445 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.219 445 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.219 445 G C 1.209 176.151 174.900 0.071 0.000 1.141 445 G CA 0.531 45.684 45.100 0.088 0.000 0.763 445 G HN 0.299 nan 8.290 nan 0.000 0.554 446 N N 0.232 118.971 118.700 0.064 0.000 2.223 446 N HA -0.072 4.668 4.740 -0.001 0.000 0.185 446 N C 2.042 177.516 175.510 -0.060 0.000 1.016 446 N CA 0.861 53.926 53.050 0.025 0.000 0.863 446 N CB -0.142 38.424 38.487 0.131 0.000 0.983 446 N HN 0.195 nan 8.380 nan 0.000 0.429 447 L N 0.638 121.812 121.223 -0.082 0.000 2.109 447 L HA -0.048 4.291 4.340 -0.001 0.000 0.207 447 L C 2.214 179.016 176.870 -0.112 0.000 1.086 447 L CA 0.674 55.452 54.840 -0.103 0.000 0.760 447 L CB -0.838 41.162 42.059 -0.098 0.000 0.910 447 L HN 0.116 nan 8.230 nan 0.000 0.437 448 L N -0.071 121.039 121.223 -0.188 0.000 2.083 448 L HA -0.097 4.242 4.340 -0.001 0.000 0.209 448 L C 2.529 179.306 176.870 -0.155 0.000 1.083 448 L CA 1.913 56.572 54.840 -0.301 0.000 0.752 448 L CB -1.014 40.628 42.059 -0.694 0.000 0.899 448 L HN 0.195 nan 8.230 nan 0.000 0.433 449 A N -0.505 122.315 122.820 -0.000 0.000 1.940 449 A HA -0.247 4.072 4.320 -0.001 0.000 0.219 449 A C 2.425 180.117 177.584 0.179 0.000 1.176 449 A CA 1.838 54.004 52.037 0.215 0.000 0.631 449 A CB -0.544 18.517 19.000 0.102 0.000 0.814 449 A HN 0.474 nan 8.150 nan 0.000 0.446 450 R N -0.456 120.098 120.500 0.089 0.000 2.120 450 R HA -0.082 4.258 4.340 -0.001 0.000 0.234 450 R C 1.779 178.119 176.300 0.066 0.000 1.123 450 R CA 1.390 57.541 56.100 0.085 0.000 0.975 450 R CB -0.060 30.254 30.300 0.024 0.000 0.866 450 R HN 0.500 nan 8.270 nan 0.000 0.446 451 E N 0.109 120.330 120.200 0.035 0.000 2.250 451 E HA -0.088 4.261 4.350 -0.001 0.000 0.192 451 E C 1.513 178.155 176.600 0.070 0.000 0.986 451 E CA 0.799 57.218 56.400 0.032 0.000 0.849 451 E CB 0.193 29.887 29.700 -0.011 0.000 0.797 451 E HN 0.467 nan 8.360 nan 0.000 0.482 452 Q N 0.042 119.900 119.800 0.098 0.000 2.392 452 Q HA 0.209 4.548 4.340 -0.001 0.000 0.203 452 Q C 1.929 177.975 176.000 0.078 0.000 0.917 452 Q CA 0.399 56.277 55.803 0.125 0.000 0.939 452 Q CB 0.303 29.148 28.738 0.177 0.000 1.063 452 Q HN 0.138 nan 8.270 nan 0.000 0.516 453 A N 0.974 123.859 122.820 0.108 0.000 1.873 453 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 453 A C 2.231 179.848 177.584 0.055 0.000 1.193 453 A CA 2.118 54.212 52.037 0.096 0.000 0.629 453 A CB -0.938 18.137 19.000 0.125 0.000 0.826 453 A HN 0.276 nan 8.150 nan 0.000 0.447 454 T N -0.371 114.226 114.554 0.071 0.000 2.708 454 T HA -0.040 4.309 4.350 -0.001 0.000 0.266 454 T C 1.957 176.718 174.700 0.102 0.000 1.037 454 T CA 1.520 63.665 62.100 0.076 0.000 1.146 454 T CB -0.691 68.223 68.868 0.076 0.000 0.865 454 T HN 0.615 nan 8.240 nan 0.000 0.435 455 G N 0.740 109.621 108.800 0.136 0.000 2.432 455 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.219 455 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.219 455 G C 1.416 176.434 174.900 0.198 0.000 1.135 455 G CA 0.405 45.659 45.100 0.258 0.000 0.767 455 G HN 0.491 nan 8.290 nan 0.000 0.550 456 Q N -0.387 119.342 119.800 -0.119 0.000 2.425 456 Q HA 0.107 4.446 4.340 -0.001 0.000 0.204 456 Q C 0.417 176.471 176.000 0.089 0.000 0.933 456 Q CA -0.290 55.352 55.803 -0.268 0.000 0.939 456 Q CB 0.191 28.653 28.738 -0.460 0.000 1.044 456 Q HN 0.408 nan 8.270 nan 0.000 0.513 457 N N 0.759 119.522 118.700 0.105 0.000 2.727 457 N HA -0.201 4.538 4.740 -0.001 0.000 0.249 457 N C -1.081 174.487 175.510 0.097 0.000 1.048 457 N CA 0.729 53.861 53.050 0.137 0.000 0.714 457 N CB -0.849 37.764 38.487 0.211 0.000 0.959 457 N HN 0.298 nan 8.380 nan 0.000 0.544 458 I N 0.427 120.973 120.570 -0.041 0.000 2.509 458 I HA 0.441 4.610 4.170 -0.001 0.000 0.293 458 I C 0.431 176.411 176.117 -0.228 0.000 1.020 458 I CA -1.014 60.134 61.300 -0.254 0.000 1.088 458 I CB 2.106 39.944 38.000 -0.270 0.000 1.267 458 I HN -0.148 nan 8.210 nan 0.000 0.430 459 V N 1.584 121.247 119.914 -0.418 0.000 3.046 459 V HA 0.691 4.811 4.120 -0.001 0.000 0.316 459 V C -1.661 174.137 176.094 -0.493 0.000 1.104 459 V CA -0.652 61.490 62.300 -0.264 0.000 1.006 459 V CB 1.998 33.715 31.823 -0.177 0.000 1.058 459 V HN 0.782 nan 8.190 nan 0.000 0.440 460 W N 0.338 121.645 121.300 0.012 0.000 3.033 460 W HA 0.794 5.453 4.660 -0.001 0.000 0.336 460 W C 0.780 177.298 176.519 -0.001 0.000 1.173 460 W CA -0.126 57.249 57.345 0.051 0.000 1.185 460 W CB 2.387 31.940 29.460 0.156 0.000 1.425 460 W HN 0.831 nan 8.180 nan 0.000 0.536 461 G N -0.399 108.497 108.800 0.159 0.000 2.709 461 G HA2 0.286 4.246 3.960 -0.001 0.000 0.208 461 G HA3 0.286 4.246 3.960 -0.001 0.000 0.208 461 G C -0.073 174.746 174.900 -0.135 0.000 1.129 461 G CA 0.751 45.767 45.100 -0.140 0.000 0.793 461 G HN 0.370 nan 8.290 nan 0.000 0.524 462 T N -1.985 112.557 114.554 -0.019 0.000 2.853 462 T HA 0.503 4.852 4.350 -0.001 0.000 0.311 462 T C 0.567 175.002 174.700 -0.442 0.000 1.307 462 T CA 0.400 62.286 62.100 -0.356 0.000 1.019 462 T CB 1.425 70.137 68.868 -0.261 0.000 1.264 462 T HN 0.137 nan 8.240 nan 0.000 0.497 463 G N 1.052 109.237 108.800 -1.025 0.000 3.189 463 G HA2 0.349 4.308 3.960 -0.001 0.000 0.225 463 G HA3 0.349 4.308 3.960 -0.001 0.000 0.225 463 G C 0.766 175.725 174.900 0.098 0.000 1.159 463 G CA 0.764 45.651 45.100 -0.354 0.000 0.763 463 G HN 0.993 nan 8.290 nan 0.000 0.549 464 T N -2.898 111.659 114.554 0.005 0.000 2.664 464 T HA 0.449 4.799 4.350 -0.001 0.000 0.232 464 T C -0.025 174.756 174.700 0.136 0.000 0.958 464 T CA -0.692 61.500 62.100 0.153 0.000 1.095 464 T CB 1.018 69.901 68.868 0.026 0.000 1.938 464 T HN 0.171 nan 8.240 nan 0.000 0.536 465 H N -0.017 119.061 119.070 0.014 0.000 2.615 465 H HA 0.636 5.191 4.556 -0.001 0.000 0.346 465 H C 0.017 175.359 175.328 0.024 0.000 1.200 465 H CA -1.007 55.025 56.048 -0.026 0.000 1.264 465 H CB 1.767 31.413 29.762 -0.194 0.000 1.699 465 H HN 0.874 nan 8.280 nan 0.000 0.567 466 T N -2.874 111.794 114.554 0.189 0.000 2.926 466 T HA 0.093 4.443 4.350 -0.001 0.000 0.289 466 T C 0.729 175.513 174.700 0.140 0.000 1.054 466 T CA -0.882 61.309 62.100 0.151 0.000 1.015 466 T CB 1.109 70.028 68.868 0.085 0.000 1.167 466 T HN 0.900 nan 8.240 nan 0.000 0.526 467 H N -1.155 117.955 119.070 0.067 0.000 2.555 467 H HA 0.232 4.788 4.556 -0.001 0.000 0.269 467 H C 0.406 175.764 175.328 0.050 0.000 0.988 467 H CA 0.084 56.176 56.048 0.074 0.000 1.178 467 H CB -0.843 28.962 29.762 0.071 0.000 1.373 467 H HN 0.530 nan 8.280 nan 0.000 0.588 468 T N 4.086 118.240 114.554 -0.667 0.000 2.765 468 T HA -0.013 4.336 4.350 -0.001 0.000 0.275 468 T C -2.308 172.232 174.700 -0.266 0.000 1.007 468 T CA -0.715 61.045 62.100 -0.566 0.000 1.175 468 T CB 0.400 69.095 68.868 -0.288 0.000 0.993 468 T HN 0.336 nan 8.240 nan 0.000 0.510 469 P HA 0.148 nan 4.420 nan 0.000 0.264 469 P C -0.027 177.205 177.300 -0.113 0.000 1.193 469 P CA -0.386 62.644 63.100 -0.117 0.000 0.763 469 P CB 0.283 31.949 31.700 -0.057 0.000 0.810 470 V N 1.030 120.873 119.914 -0.117 0.000 2.863 470 V HA 0.401 4.521 4.120 -0.001 0.000 0.307 470 V C 0.188 176.225 176.094 -0.096 0.000 1.061 470 V CA -0.944 61.307 62.300 -0.081 0.000 1.024 470 V CB 0.868 32.661 31.823 -0.050 0.000 1.049 470 V HN 0.344 nan 8.190 nan 0.000 0.471 471 N N 1.275 119.899 118.700 -0.127 0.000 2.492 471 N HA 0.459 5.199 4.740 -0.001 0.000 0.260 471 N C -0.838 174.456 175.510 -0.359 0.000 1.215 471 N CA -0.271 52.575 53.050 -0.340 0.000 0.923 471 N CB 1.155 39.332 38.487 -0.517 0.000 1.092 471 N HN 0.655 nan 8.380 nan 0.000 0.448 472 V N 2.996 122.635 119.914 -0.458 0.000 2.407 472 V HA 0.364 4.483 4.120 -0.001 0.000 0.291 472 V C -0.931 174.913 176.094 -0.416 0.000 1.018 472 V CA -0.666 61.460 62.300 -0.291 0.000 0.842 472 V CB 0.225 31.960 31.823 -0.146 0.000 0.996 472 V HN 0.493 nan 8.190 nan 0.000 0.426 473 F N 3.240 123.210 119.950 0.033 0.000 2.411 473 F HA 0.786 5.313 4.527 -0.000 0.000 0.352 473 F C 0.554 176.397 175.800 0.070 0.000 1.123 473 F CA -0.490 57.533 58.000 0.039 0.000 1.044 473 F CB 1.671 40.694 39.000 0.037 0.000 1.135 473 F HN 0.541 nan 8.300 nan 0.000 0.461 474 A N 3.901 126.850 122.820 0.214 0.000 2.342 474 A HA 0.695 5.015 4.320 -0.001 0.000 0.323 474 A C -1.919 175.828 177.584 0.272 0.000 1.125 474 A CA -0.606 51.552 52.037 0.202 0.000 0.785 474 A CB 0.800 19.843 19.000 0.072 0.000 1.221 474 A HN 0.904 nan 8.150 nan 0.000 0.463 475 W N 2.146 123.507 121.300 0.102 0.000 2.883 475 W HA 0.598 5.258 4.660 -0.001 0.000 0.335 475 W C 0.164 176.734 176.519 0.084 0.000 1.083 475 W CA 0.814 58.213 57.345 0.091 0.000 1.233 475 W CB 2.019 31.543 29.460 0.107 0.000 1.412 475 W HN 1.492 nan 8.180 nan 0.000 0.490 476 G N 3.815 112.254 108.800 -0.603 0.000 2.350 476 G HA2 0.147 4.106 3.960 -0.001 0.000 0.282 476 G HA3 0.147 4.106 3.960 -0.001 0.000 0.282 476 G C -3.141 171.481 174.900 -0.462 0.000 1.314 476 G CA -1.210 43.580 45.100 -0.516 0.000 0.915 476 G HN 0.239 nan 8.290 nan 0.000 0.499 477 P HA 0.386 nan 4.420 nan 0.000 0.264 477 P C 1.024 178.238 177.300 -0.144 0.000 1.193 477 P CA 0.761 63.746 63.100 -0.192 0.000 0.763 477 P CB 1.120 32.755 31.700 -0.109 0.000 0.810 478 A N 4.858 127.593 122.820 -0.141 0.000 1.892 478 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 478 A C 1.920 179.470 177.584 -0.056 0.000 1.188 478 A CA 1.908 53.883 52.037 -0.103 0.000 0.631 478 A CB -0.967 17.979 19.000 -0.089 0.000 0.822 478 A HN 0.664 nan 8.150 nan 0.000 0.447 479 E N 0.562 120.737 120.200 -0.042 0.000 2.204 479 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 479 E C 1.574 178.180 176.600 0.010 0.000 0.989 479 E CA 1.529 57.919 56.400 -0.017 0.000 0.824 479 E CB -0.403 29.287 29.700 -0.016 0.000 0.756 479 E HN 0.690 nan 8.360 nan 0.000 0.477 480 K N 0.731 121.139 120.400 0.014 0.000 2.243 480 K HA 0.107 4.427 4.320 -0.001 0.000 0.201 480 K C 2.380 179.070 176.600 0.150 0.000 1.051 480 K CA 1.185 57.514 56.287 0.070 0.000 0.970 480 K CB -0.072 32.454 32.500 0.043 0.000 0.755 480 K HN 0.335 nan 8.250 nan 0.000 0.465 481 I N -2.003 118.611 120.570 0.073 0.000 3.228 481 I HA -0.011 4.159 4.170 -0.001 0.000 0.279 481 I C 1.924 178.030 176.117 -0.019 0.000 1.221 481 I CA 0.218 61.552 61.300 0.057 0.000 1.458 481 I CB -0.089 37.922 38.000 0.018 0.000 1.105 481 I HN -0.109 nan 8.210 nan 0.000 0.445 482 L N 2.934 124.148 121.223 -0.014 0.000 2.043 482 L HA -0.043 4.297 4.340 -0.001 0.000 0.212 482 L C -0.511 176.333 176.870 -0.044 0.000 1.075 482 L CA 2.360 57.182 54.840 -0.030 0.000 0.752 482 L CB -1.647 40.400 42.059 -0.020 0.000 0.891 482 L HN 0.178 nan 8.230 nan 0.000 0.432 483 P HA -0.096 nan 4.420 nan 0.000 0.225 483 P C 1.798 179.014 177.300 -0.139 0.000 1.148 483 P CA 0.832 63.907 63.100 -0.042 0.000 0.779 483 P CB -0.018 31.705 31.700 0.038 0.000 0.780 484 V N -1.255 118.512 119.914 -0.245 0.000 2.970 484 V HA -0.074 4.046 4.120 -0.001 0.000 0.260 484 V C 1.474 177.464 176.094 -0.173 0.000 1.100 484 V CA 1.323 63.432 62.300 -0.318 0.000 1.122 484 V CB -0.948 30.627 31.823 -0.412 0.000 0.721 484 V HN 0.131 nan 8.190 nan 0.000 0.483 485 S N 1.750 117.379 115.700 -0.117 0.000 4.139 485 S HA 0.262 4.732 4.470 -0.001 0.000 0.215 485 S C 0.044 174.606 174.600 -0.064 0.000 1.390 485 S CA -0.374 57.775 58.200 -0.085 0.000 0.885 485 S CB -0.952 62.211 63.200 -0.062 0.000 1.560 485 S HN 0.789 nan 8.310 nan 0.000 0.449 486 K N 1.029 121.389 120.400 -0.067 0.000 2.571 486 K HA 0.479 4.798 4.320 -0.001 0.000 0.289 486 K C -1.208 175.371 176.600 -0.035 0.000 1.028 486 K CA -1.073 55.189 56.287 -0.041 0.000 0.895 486 K CB 0.556 33.038 32.500 -0.029 0.000 1.534 486 K HN 0.152 nan 8.250 nan 0.000 0.421 487 I N 2.741 123.304 120.570 -0.012 0.000 2.441 487 I HA 0.238 4.407 4.170 -0.001 0.000 0.287 487 I C 0.340 176.470 176.117 0.021 0.000 1.049 487 I CA -0.293 61.010 61.300 0.004 0.000 1.381 487 I CB 0.772 38.785 38.000 0.021 0.000 1.409 487 I HN 0.672 nan 8.210 nan 0.000 0.523 488 M N 4.833 124.450 119.600 0.029 0.000 3.223 488 M HA 0.541 5.021 4.480 -0.001 0.000 0.282 488 M C -1.285 175.074 176.300 0.097 0.000 1.346 488 M CA -0.913 54.423 55.300 0.059 0.000 0.789 488 M CB 2.634 35.250 32.600 0.026 0.000 1.724 488 M HN 0.430 nan 8.290 nan 0.000 0.447 489 H N -0.614 118.456 119.070 -0.000 0.000 2.670 489 H HA 0.383 4.939 4.556 -0.001 0.000 0.361 489 H C -0.168 175.157 175.328 -0.005 0.000 1.169 489 H CA -0.294 55.723 56.048 -0.052 0.000 1.198 489 H CB 1.469 31.162 29.762 -0.115 0.000 1.700 489 H HN 0.900 nan 8.280 nan 0.000 0.542 490 H N 1.513 120.095 119.070 -0.813 0.000 2.422 490 H HA -0.149 4.406 4.556 -0.001 0.000 0.298 490 H C 2.195 177.379 175.328 -0.241 0.000 1.098 490 H CA 1.974 57.757 56.048 -0.443 0.000 1.315 490 H CB 0.064 29.560 29.762 -0.442 0.000 1.382 490 H HN 0.580 nan 8.280 nan 0.000 0.523 491 S N 0.179 115.846 115.700 -0.055 0.000 2.368 491 S HA -0.166 4.304 4.470 -0.001 0.000 0.225 491 S C 1.946 176.522 174.600 -0.041 0.000 1.030 491 S CA 1.402 59.537 58.200 -0.108 0.000 0.999 491 S CB -0.132 62.807 63.200 -0.434 0.000 0.844 491 S HN 0.468 nan 8.310 nan 0.000 0.459 492 E N 0.850 121.055 120.200 0.008 0.000 2.152 492 E HA 0.060 4.410 4.350 -0.001 0.000 0.192 492 E C 1.936 178.572 176.600 0.060 0.000 0.983 492 E CA 0.709 57.136 56.400 0.045 0.000 0.818 492 E CB -0.269 29.471 29.700 0.067 0.000 0.758 492 E HN 0.389 nan 8.360 nan 0.000 0.467 493 L N 0.436 121.672 121.223 0.022 0.000 2.056 493 L HA -0.006 4.334 4.340 -0.001 0.000 0.207 493 L C 2.137 179.045 176.870 0.063 0.000 1.078 493 L CA 2.132 56.986 54.840 0.024 0.000 0.749 493 L CB -0.970 41.043 42.059 -0.077 0.000 0.901 493 L HN 0.135 nan 8.230 nan 0.000 0.433 494 G N -1.155 107.640 108.800 -0.009 0.000 2.440 494 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.218 494 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.218 494 G C 1.507 176.423 174.900 0.027 0.000 1.154 494 G CA 0.849 45.948 45.100 -0.001 0.000 0.767 494 G HN 0.552 nan 8.290 nan 0.000 0.552 495 E N -0.702 119.521 120.200 0.037 0.000 2.077 495 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 495 E C 2.066 178.703 176.600 0.060 0.000 0.989 495 E CA 0.957 57.381 56.400 0.040 0.000 0.800 495 E CB -0.326 29.404 29.700 0.049 0.000 0.746 495 E HN 0.546 nan 8.360 nan 0.000 0.452 496 Y N 1.111 121.412 120.300 0.001 0.000 2.128 496 Y HA -0.224 4.325 4.550 -0.001 0.000 0.284 496 Y C 1.966 177.878 175.900 0.021 0.000 1.154 496 Y CA 1.996 60.102 58.100 0.011 0.000 1.149 496 Y CB -0.201 38.267 38.460 0.012 0.000 0.976 496 Y HN 0.036 nan 8.280 nan 0.000 0.505 497 I N 0.315 120.938 120.570 0.088 0.000 2.179 497 I HA -0.331 3.838 4.170 -0.001 0.000 0.242 497 I C 2.507 178.583 176.117 -0.069 0.000 1.088 497 I CA 1.655 62.975 61.300 0.034 0.000 1.357 497 I CB -0.461 37.642 38.000 0.173 0.000 1.051 497 I HN 0.163 nan 8.210 nan 0.000 0.409 498 K N 0.459 120.822 120.400 -0.062 0.000 2.103 498 K HA -0.228 4.091 4.320 -0.001 0.000 0.207 498 K C 2.101 178.637 176.600 -0.106 0.000 1.048 498 K CA 1.435 57.669 56.287 -0.088 0.000 0.930 498 K CB -0.128 32.332 32.500 -0.068 0.000 0.716 498 K HN 0.423 nan 8.250 nan 0.000 0.444 499 Q N -0.067 119.648 119.800 -0.142 0.000 2.364 499 Q HA -0.129 4.211 4.340 -0.001 0.000 0.207 499 Q C 1.440 177.324 176.000 -0.194 0.000 0.970 499 Q CA 0.834 56.543 55.803 -0.158 0.000 0.888 499 Q CB 0.262 28.899 28.738 -0.167 0.000 0.951 499 Q HN 0.223 nan 8.270 nan 0.000 0.469 500 Q N -0.692 118.965 119.800 -0.238 0.000 2.392 500 Q HA 0.089 4.429 4.340 -0.001 0.000 0.203 500 Q C -0.061 175.892 176.000 -0.079 0.000 0.917 500 Q CA 0.293 55.988 55.803 -0.180 0.000 0.939 500 Q CB 0.798 29.407 28.738 -0.214 0.000 1.063 500 Q HN 0.087 nan 8.270 nan 0.000 0.516 501 V N 2.844 122.719 119.914 -0.065 0.000 2.288 501 V HA 0.331 4.451 4.120 -0.001 0.000 0.266 501 V C -0.095 175.980 176.094 -0.031 0.000 1.048 501 V CA -0.372 61.911 62.300 -0.028 0.000 0.842 501 V CB 0.281 32.081 31.823 -0.039 0.000 1.064 501 V HN 0.208 nan 8.190 nan 0.000 0.472 502 N N 0.000 118.689 118.700 -0.019 0.000 1.763 502 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 502 N CA 0.000 53.042 53.050 -0.014 0.000 0.885 502 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 502 N HN 0.000 nan 8.380 nan 0.000 0.667