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 2c7f_1_D DATA FIRST_RESID 4 DATA SEQUENCE ARMTVDKDYK IAEIDKRIYG SFVEHLGRAV YDGLYQPGNS KSDEDGFRKD DATA SEQUENCE VIELVKELNV PIIRYPGGNF VSNYFWEDGV GPVEDRPRRL DLAWKSIEPN DATA SEQUENCE QVGINEFAKW CKKVNAEIMM AVNLGTRGIS DACNLLEYCN HPGGSKYSDM DATA SEQUENCE RIKHGVKEPH NIKVWCLGNA MDGPWQVGHK TMDEYGRIAE ETARAMKMID DATA SEQUENCE PSIELVACGS SSKDMPTFPQ WEATVLDYAY DYVDYISLHQ YYGNKENDTA DATA SEQUENCE DFLAKSDDLD DFIRSVIATC DYIKAKKRSK KDIYLSFDEW NVWYHSNNED DATA SEQUENCE ANIMQNEPWR IAPPLLEDIY TFEDALLVGL MLITLMKHAD RIKIACLAQL DATA SEQUENCE INVIAPIVTE RNGGAAWRQT IFYPFMHASK YGRGIVLQPV INSPLHDTSK DATA SEQUENCE HEDVTDIESV AIYNEEKEEV TIFAVNRNIH EDIVLVSDVR GMKDYRLLEH DATA SEQUENCE IVLEHQDLKI RNSVNGEEVY PKNSDKSSFD DGILTSMLRR ASWNVIRIG 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.586 177.584 0.003 0.000 1.274 4 A CA 0.000 52.042 52.037 0.009 0.000 0.836 4 A CB 0.000 19.008 19.000 0.013 0.000 0.831 5 R N 1.438 121.937 120.500 -0.001 0.000 2.460 5 R HA 0.911 5.251 4.340 -0.000 0.000 0.303 5 R C -0.192 176.101 176.300 -0.012 0.000 0.968 5 R CA 0.229 56.325 56.100 -0.005 0.000 0.889 5 R CB 1.188 nan 30.300 nan 0.000 1.123 5 R HN 2.116 nan 8.270 nan 0.000 0.455 6 M N 1.008 120.598 119.600 -0.016 0.000 2.446 6 M HA 0.633 5.112 4.480 -0.000 0.000 0.294 6 M C -0.308 175.975 176.300 -0.028 0.000 1.158 6 M CA -0.466 54.816 55.300 -0.029 0.000 0.899 6 M CB 2.732 35.310 32.600 -0.036 0.000 1.687 6 M HN 0.741 nan 8.290 nan 0.000 0.455 7 T N 1.268 115.799 114.554 -0.038 0.000 2.893 7 T HA 0.796 5.146 4.350 -0.000 0.000 0.279 7 T C -0.568 174.101 174.700 -0.052 0.000 0.991 7 T CA -0.484 61.597 62.100 -0.033 0.000 0.950 7 T CB 1.295 70.151 68.868 -0.021 0.000 1.223 7 T HN 0.954 nan 8.240 nan 0.000 0.585 8 V N 2.016 121.908 119.914 -0.038 0.000 4.752 8 V HA 0.297 4.417 4.120 -0.000 0.000 0.321 8 V C -1.358 174.711 176.094 -0.041 0.000 1.055 8 V CA -0.900 61.372 62.300 -0.047 0.000 1.683 8 V CB 0.396 32.189 31.823 -0.049 0.000 0.508 8 V HN 1.027 nan 8.190 nan 0.000 0.468 9 D N 1.986 122.393 120.400 0.011 0.000 2.425 9 D HA 0.494 5.134 4.640 -0.000 0.000 0.240 9 D C 1.173 177.488 176.300 0.024 0.000 1.080 9 D CA -0.655 53.364 54.000 0.032 0.000 0.836 9 D CB 2.149 43.035 40.800 0.144 0.000 1.125 9 D HN 0.432 nan 8.370 nan 0.000 0.525 10 K N 1.719 122.059 120.400 -0.099 0.000 2.281 10 K HA -0.111 4.208 4.320 -0.000 0.000 0.203 10 K C 0.506 177.101 176.600 -0.009 0.000 1.046 10 K CA 1.198 57.410 56.287 -0.124 0.000 0.938 10 K CB -0.022 32.263 32.500 -0.358 0.000 0.737 10 K HN 0.209 nan 8.250 nan 0.000 0.458 11 D N -0.526 119.860 120.400 -0.023 0.000 2.378 11 D HA -0.090 4.549 4.640 -0.000 0.000 0.227 11 D C -0.561 175.697 176.300 -0.070 0.000 1.012 11 D CA 0.667 54.635 54.000 -0.053 0.000 0.905 11 D CB -0.088 40.646 40.800 -0.109 0.000 0.895 11 D HN 0.235 nan 8.370 nan 0.000 0.532 12 Y N 1.075 121.363 120.300 -0.019 0.000 2.726 12 Y HA 0.275 4.825 4.550 -0.000 0.000 0.367 12 Y C -0.276 175.620 175.900 -0.005 0.000 1.038 12 Y CA -1.142 56.949 58.100 -0.015 0.000 1.174 12 Y CB -0.226 38.218 38.460 -0.028 0.000 1.265 12 Y HN -0.335 nan 8.280 nan 0.000 0.622 13 K N 1.438 121.955 120.400 0.195 0.000 2.185 13 K HA 0.346 4.666 4.320 -0.000 0.000 0.271 13 K C 0.596 177.269 176.600 0.122 0.000 1.013 13 K CA -0.096 56.270 56.287 0.131 0.000 0.943 13 K CB 1.561 34.115 32.500 0.090 0.000 0.998 13 K HN 0.413 nan 8.250 nan 0.000 0.468 14 I N 0.364 120.975 120.570 0.068 0.000 2.899 14 I HA 0.189 4.358 4.170 -0.000 0.000 0.257 14 I C 0.351 176.494 176.117 0.044 0.000 1.115 14 I CA 0.208 61.534 61.300 0.042 0.000 1.451 14 I CB 0.496 38.491 38.000 -0.009 0.000 1.251 14 I HN 0.696 nan 8.210 nan 0.000 0.456 15 A N 0.313 123.153 122.820 0.034 0.000 2.544 15 A HA 0.411 4.731 4.320 -0.000 0.000 0.291 15 A C -1.288 176.307 177.584 0.019 0.000 1.055 15 A CA -0.550 51.506 52.037 0.032 0.000 0.651 15 A CB 0.749 19.770 19.000 0.035 0.000 1.296 15 A HN 0.097 nan 8.150 nan 0.000 0.431 16 E N 0.508 120.715 120.200 0.012 0.000 2.316 16 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 16 E C -0.692 175.902 176.600 -0.010 0.000 1.029 16 E CA -0.119 56.281 56.400 0.000 0.000 0.871 16 E CB 0.412 30.109 29.700 -0.004 0.000 1.022 16 E HN 0.435 nan 8.360 nan 0.000 0.418 17 I N 4.125 124.690 120.570 -0.009 0.000 2.533 17 I HA -0.008 4.161 4.170 -0.000 0.000 0.284 17 I C 0.305 176.407 176.117 -0.024 0.000 1.109 17 I CA 0.235 61.523 61.300 -0.021 0.000 1.412 17 I CB 0.574 38.582 38.000 0.013 0.000 1.396 17 I HN 0.585 nan 8.210 nan 0.000 0.543 18 D N 7.130 127.494 120.400 -0.059 0.000 2.295 18 D HA 0.026 4.666 4.640 -0.000 0.000 0.248 18 D C 1.062 177.323 176.300 -0.066 0.000 1.154 18 D CA -0.329 53.639 54.000 -0.054 0.000 0.857 18 D CB 1.160 41.918 40.800 -0.070 0.000 1.117 18 D HN 0.538 nan 8.370 nan 0.000 0.468 19 K N 3.371 123.777 120.400 0.010 0.000 2.281 19 K HA -0.149 4.171 4.320 -0.000 0.000 0.203 19 K C 1.202 177.833 176.600 0.051 0.000 1.046 19 K CA 0.852 57.197 56.287 0.097 0.000 0.938 19 K CB 0.073 32.647 32.500 0.123 0.000 0.737 19 K HN 0.275 nan 8.250 nan 0.000 0.458 20 R N 1.206 121.698 120.500 -0.015 0.000 2.339 20 R HA 0.024 4.364 4.340 -0.000 0.000 0.199 20 R C 2.172 178.438 176.300 -0.058 0.000 1.018 20 R CA 0.981 57.073 56.100 -0.014 0.000 1.036 20 R CB -0.489 29.792 30.300 -0.031 0.000 0.899 20 R HN 0.533 nan 8.270 nan 0.000 0.473 21 I N -3.118 117.325 120.570 -0.211 0.000 3.291 21 I HA -0.095 4.075 4.170 -0.000 0.000 0.279 21 I C 0.245 176.162 176.117 -0.334 0.000 1.294 21 I CA 0.931 62.047 61.300 -0.307 0.000 1.428 21 I CB 0.043 37.768 38.000 -0.458 0.000 1.070 21 I HN -0.063 nan 8.210 nan 0.000 0.478 22 Y N 2.458 122.793 120.300 0.060 0.000 2.746 22 Y HA 0.557 5.107 4.550 -0.000 0.000 0.312 22 Y C 1.440 177.542 175.900 0.335 0.000 1.117 22 Y CA -0.896 57.249 58.100 0.075 0.000 1.324 22 Y CB -0.478 37.935 38.460 -0.078 0.000 1.173 22 Y HN 0.108 nan 8.280 nan 0.000 0.529 23 G N -0.452 108.557 108.800 0.348 0.000 2.580 23 G HA2 0.434 4.393 3.960 -0.000 0.000 0.278 23 G HA3 0.434 4.393 3.960 -0.000 0.000 0.278 23 G C -0.177 174.887 174.900 0.274 0.000 1.212 23 G CA -0.102 45.156 45.100 0.265 0.000 0.939 23 G HN 0.250 nan 8.290 nan 0.000 0.513 24 S N -1.805 113.984 115.700 0.147 0.000 2.998 24 S HA 0.787 5.257 4.470 -0.000 0.000 0.323 24 S C -2.050 172.664 174.600 0.190 0.000 1.141 24 S CA -0.541 57.700 58.200 0.069 0.000 0.873 24 S CB 1.376 64.521 63.200 -0.091 0.000 1.315 24 S HN 0.964 nan 8.310 nan 0.000 0.637 25 F N 1.434 121.353 119.950 -0.051 0.000 2.623 25 F HA 0.642 5.169 4.527 -0.000 0.000 0.323 25 F C -2.018 173.751 175.800 -0.051 0.000 1.158 25 F CA -0.774 57.210 58.000 -0.027 0.000 1.030 25 F CB 0.868 39.831 39.000 -0.061 0.000 1.280 25 F HN 0.282 nan 8.300 nan 0.000 0.474 26 V N 5.877 125.704 119.914 -0.145 0.000 2.378 26 V HA 0.435 4.555 4.120 -0.000 0.000 0.288 26 V C -0.439 175.323 176.094 -0.554 0.000 1.016 26 V CA -0.636 61.421 62.300 -0.403 0.000 0.840 26 V CB 1.531 33.302 31.823 -0.087 0.000 0.994 26 V HN 0.794 nan 8.190 nan 0.000 0.431 27 E N 2.919 122.625 120.200 -0.824 0.000 2.202 27 E HA 0.354 4.703 4.350 -0.000 0.000 0.272 27 E C -0.383 175.848 176.600 -0.615 0.000 0.951 27 E CA -0.826 55.213 56.400 -0.602 0.000 0.813 27 E CB 0.999 30.376 29.700 -0.538 0.000 1.151 27 E HN 0.731 nan 8.360 nan 0.000 0.398 28 H N 4.375 122.930 119.070 -0.858 0.000 3.629 28 H HA 0.135 4.690 4.556 -0.000 0.000 0.245 28 H C -0.557 174.395 175.328 -0.626 0.000 1.599 28 H CA 0.327 55.820 56.048 -0.926 0.000 1.557 28 H CB -0.262 28.473 29.762 -1.712 0.000 1.823 28 H HN 0.255 nan 8.280 nan 0.000 0.614 29 L N 1.341 122.285 121.223 -0.464 0.000 2.464 29 L HA 0.379 4.719 4.340 -0.000 0.000 0.266 29 L C 0.769 177.372 176.870 -0.446 0.000 0.965 29 L CA -0.171 54.349 54.840 -0.534 0.000 0.833 29 L CB 1.506 43.071 42.059 -0.824 0.000 1.296 29 L HN 0.717 nan 8.230 nan 0.000 0.405 30 G N 4.282 112.880 108.800 -0.337 0.000 2.672 30 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.324 30 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.324 30 G C 0.474 175.268 174.900 -0.177 0.000 1.286 30 G CA 0.664 45.617 45.100 -0.244 0.000 1.004 30 G HN 0.738 nan 8.290 nan 0.000 0.548 31 R N 1.213 121.592 120.500 -0.203 0.000 2.586 31 R HA 0.497 4.837 4.340 -0.000 0.000 0.306 31 R C 2.305 178.465 176.300 -0.234 0.000 1.079 31 R CA 0.610 56.614 56.100 -0.160 0.000 1.083 31 R CB 0.133 30.357 30.300 -0.127 0.000 1.306 31 R HN 0.547 nan 8.270 nan 0.000 0.567 32 A N 0.465 123.091 122.820 -0.324 0.000 1.898 32 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 32 A C 1.910 179.234 177.584 -0.434 0.000 1.181 32 A CA 1.318 53.118 52.037 -0.395 0.000 0.620 32 A CB 0.056 18.765 19.000 -0.485 0.000 0.819 32 A HN 0.118 nan 8.150 nan 0.000 0.442 33 V N -2.024 117.587 119.914 -0.504 0.000 2.502 33 V HA 0.067 4.187 4.120 -0.000 0.000 0.234 33 V C 0.592 176.410 176.094 -0.460 0.000 1.072 33 V CA 0.263 62.172 62.300 -0.651 0.000 1.094 33 V CB -0.904 30.262 31.823 -1.094 0.000 0.761 33 V HN 0.482 nan 8.190 nan 0.000 0.489 34 Y N 1.225 121.463 120.300 -0.103 0.000 2.377 34 Y HA 0.374 4.924 4.550 -0.000 0.000 0.330 34 Y C 0.858 176.726 175.900 -0.053 0.000 1.108 34 Y CA -0.170 57.932 58.100 0.003 0.000 1.308 34 Y CB -0.114 38.361 38.460 0.025 0.000 1.216 34 Y HN 0.356 nan 8.280 nan 0.000 0.518 35 D N 0.483 120.936 120.400 0.089 0.000 2.837 35 D HA -0.169 4.471 4.640 -0.000 0.000 0.230 35 D C 0.442 176.710 176.300 -0.052 0.000 1.152 35 D CA 1.405 55.408 54.000 0.004 0.000 0.736 35 D CB -0.903 39.902 40.800 0.008 0.000 1.084 35 D HN 0.895 nan 8.370 nan 0.000 0.429 36 G N -0.945 107.805 108.800 -0.083 0.000 3.193 36 G HA2 0.336 4.296 3.960 -0.000 0.000 0.186 36 G HA3 0.336 4.296 3.960 -0.000 0.000 0.186 36 G C 1.002 175.827 174.900 -0.126 0.000 1.536 36 G CA 0.035 45.052 45.100 -0.138 0.000 0.943 36 G HN 0.435 nan 8.290 nan 0.000 0.781 37 L N -1.365 119.729 121.223 -0.215 0.000 2.217 37 L HA 0.419 4.759 4.340 -0.000 0.000 0.211 37 L C 0.842 177.694 176.870 -0.031 0.000 1.107 37 L CA 0.849 55.557 54.840 -0.220 0.000 0.783 37 L CB -0.485 41.128 42.059 -0.743 0.000 0.919 37 L HN 0.216 nan 8.230 nan 0.000 0.442 38 Y N 1.779 121.973 120.300 -0.177 0.000 2.388 38 Y HA 0.570 5.120 4.550 -0.000 0.000 0.328 38 Y C -0.914 174.973 175.900 -0.022 0.000 0.963 38 Y CA -0.874 57.202 58.100 -0.041 0.000 1.240 38 Y CB 0.764 39.154 38.460 -0.117 0.000 1.118 38 Y HN 0.232 nan 8.280 nan 0.000 0.484 39 Q N 8.212 127.783 119.800 -0.381 0.000 2.891 39 Q HA 0.229 4.569 4.340 -0.000 0.000 0.242 39 Q C -2.352 173.415 176.000 -0.389 0.000 0.959 39 Q CA -1.938 53.670 55.803 -0.325 0.000 0.707 39 Q CB 1.772 30.429 28.738 -0.134 0.000 1.283 39 Q HN 0.484 nan 8.270 nan 0.000 0.480 40 P HA -0.235 nan 4.420 nan 0.000 0.212 40 P C 1.252 178.434 177.300 -0.197 0.000 1.174 40 P CA 1.737 64.604 63.100 -0.388 0.000 0.934 40 P CB 0.132 31.656 31.700 -0.294 0.000 0.791 41 G N -1.560 107.158 108.800 -0.138 0.000 2.776 41 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.209 41 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.209 41 G C 0.695 175.554 174.900 -0.069 0.000 1.145 41 G CA -0.066 44.984 45.100 -0.083 0.000 0.791 41 G HN 0.252 nan 8.290 nan 0.000 0.530 42 N N 0.713 119.364 118.700 -0.082 0.000 2.530 42 N HA 0.031 4.771 4.740 -0.000 0.000 0.273 42 N C 1.882 177.367 175.510 -0.041 0.000 1.173 42 N CA 0.492 53.509 53.050 -0.056 0.000 0.967 42 N CB 1.372 39.824 38.487 -0.058 0.000 1.109 42 N HN 0.095 nan 8.380 nan 0.000 0.453 43 S N 3.162 118.846 115.700 -0.027 0.000 2.399 43 S HA -0.122 4.347 4.470 -0.000 0.000 0.231 43 S C 1.215 175.808 174.600 -0.011 0.000 1.022 43 S CA 1.102 59.291 58.200 -0.018 0.000 0.983 43 S CB -0.036 63.156 63.200 -0.013 0.000 0.803 43 S HN 0.577 nan 8.310 nan 0.000 0.480 44 K N 1.549 121.943 120.400 -0.009 0.000 2.487 44 K HA 0.300 4.619 4.320 -0.000 0.000 0.192 44 K C 0.133 176.741 176.600 0.013 0.000 1.027 44 K CA 0.019 56.308 56.287 0.004 0.000 1.054 44 K CB 0.205 32.710 32.500 0.007 0.000 0.824 44 K HN 0.211 nan 8.250 nan 0.000 0.510 45 S N 1.792 117.491 115.700 -0.001 0.000 2.585 45 S HA 0.094 4.564 4.470 -0.000 0.000 0.277 45 S C -0.251 174.353 174.600 0.007 0.000 1.241 45 S CA -1.087 57.116 58.200 0.005 0.000 1.041 45 S CB 0.992 64.161 63.200 -0.051 0.000 0.987 45 S HN 0.306 nan 8.310 nan 0.000 0.512 46 D N 1.208 121.630 120.400 0.036 0.000 2.380 46 D HA 0.089 4.728 4.640 -0.000 0.000 0.254 46 D C 0.573 176.856 176.300 -0.027 0.000 1.288 46 D CA -0.407 53.608 54.000 0.026 0.000 1.008 46 D CB 0.214 41.063 40.800 0.081 0.000 1.099 46 D HN 0.449 nan 8.370 nan 0.000 0.537 47 E N -1.151 119.036 120.200 -0.021 0.000 2.418 47 E HA -0.036 4.314 4.350 -0.000 0.000 0.197 47 E C 0.601 177.150 176.600 -0.086 0.000 1.026 47 E CA 0.716 57.092 56.400 -0.040 0.000 0.862 47 E CB -0.141 29.552 29.700 -0.012 0.000 0.799 47 E HN 0.353 nan 8.360 nan 0.000 0.518 48 D N -0.566 119.741 120.400 -0.155 0.000 2.349 48 D HA 0.092 4.732 4.640 -0.000 0.000 0.215 48 D C 1.194 177.183 176.300 -0.519 0.000 1.016 48 D CA 0.861 54.656 54.000 -0.342 0.000 0.870 48 D CB 0.652 41.170 40.800 -0.471 0.000 0.917 48 D HN 0.308 nan 8.370 nan 0.000 0.524 49 G N 0.512 109.085 108.800 -0.378 0.000 2.157 49 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.239 49 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.239 49 G C -0.025 174.706 174.900 -0.281 0.000 0.982 49 G CA -0.478 44.384 45.100 -0.396 0.000 0.650 49 G HN 0.148 nan 8.290 nan 0.000 0.527 50 F N 1.998 122.000 119.950 0.088 0.000 2.410 50 F HA 0.576 5.103 4.527 -0.000 0.000 0.348 50 F C 1.236 177.086 175.800 0.084 0.000 1.106 50 F CA -1.443 56.644 58.000 0.144 0.000 1.163 50 F CB 0.659 39.847 39.000 0.314 0.000 1.129 50 F HN -0.129 nan 8.300 nan 0.000 0.516 51 R N 3.524 124.180 120.500 0.260 0.000 2.404 51 R HA 0.025 4.365 4.340 -0.000 0.000 0.315 51 R C 1.027 177.421 176.300 0.157 0.000 1.032 51 R CA 0.103 56.288 56.100 0.143 0.000 0.992 51 R CB 0.302 30.653 30.300 0.085 0.000 0.959 51 R HN 0.756 nan 8.270 nan 0.000 0.428 52 K N 1.482 121.943 120.400 0.102 0.000 2.148 52 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 52 K C 1.283 177.907 176.600 0.040 0.000 1.050 52 K CA 1.659 57.989 56.287 0.071 0.000 0.942 52 K CB 0.155 32.684 32.500 0.048 0.000 0.724 52 K HN 0.574 nan 8.250 nan 0.000 0.446 53 D N 0.693 121.114 120.400 0.035 0.000 2.144 53 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 53 D C 1.839 178.150 176.300 0.018 0.000 0.978 53 D CA 0.885 54.896 54.000 0.018 0.000 0.833 53 D CB -0.611 40.197 40.800 0.014 0.000 0.961 53 D HN -0.040 nan 8.370 nan 0.000 0.470 54 V N 1.121 121.060 119.914 0.043 0.000 2.295 54 V HA -0.207 3.912 4.120 -0.000 0.000 0.246 54 V C 2.756 178.881 176.094 0.052 0.000 1.049 54 V CA 1.248 63.583 62.300 0.059 0.000 1.024 54 V CB -0.477 31.412 31.823 0.110 0.000 0.648 54 V HN 0.170 nan 8.190 nan 0.000 0.447 55 I N -0.177 120.415 120.570 0.038 0.000 2.208 55 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 55 I C 2.624 178.672 176.117 -0.115 0.000 1.097 55 I CA 1.387 62.620 61.300 -0.113 0.000 1.363 55 I CB -0.410 37.513 38.000 -0.129 0.000 1.051 55 I HN 0.326 nan 8.210 nan 0.000 0.413 56 E N 0.635 120.805 120.200 -0.051 0.000 2.106 56 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 56 E C 2.321 178.915 176.600 -0.011 0.000 0.984 56 E CA 1.119 57.497 56.400 -0.036 0.000 0.806 56 E CB -0.306 29.385 29.700 -0.016 0.000 0.750 56 E HN 0.515 nan 8.360 nan 0.000 0.458 57 L N 0.224 121.452 121.223 0.009 0.000 2.156 57 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 57 L C 2.422 179.346 176.870 0.091 0.000 1.095 57 L CA 0.463 55.354 54.840 0.084 0.000 0.770 57 L CB -0.258 41.836 42.059 0.058 0.000 0.914 57 L HN -0.024 nan 8.230 nan 0.000 0.439 58 V N -0.277 119.619 119.914 -0.030 0.000 2.323 58 V HA -0.244 3.876 4.120 -0.000 0.000 0.244 58 V C 2.431 178.440 176.094 -0.142 0.000 1.041 58 V CA 1.569 63.795 62.300 -0.123 0.000 1.025 58 V CB -0.481 31.215 31.823 -0.212 0.000 0.656 58 V HN 0.380 nan 8.190 nan 0.000 0.451 59 K N -0.191 120.126 120.400 -0.138 0.000 2.152 59 K HA -0.244 4.075 4.320 -0.000 0.000 0.206 59 K C 2.214 178.780 176.600 -0.057 0.000 1.048 59 K CA 1.680 57.898 56.287 -0.115 0.000 0.933 59 K CB -0.131 32.302 32.500 -0.113 0.000 0.721 59 K HN 0.539 nan 8.250 nan 0.000 0.447 60 E N 0.938 121.137 120.200 -0.001 0.000 2.072 60 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 60 E C 1.982 178.589 176.600 0.011 0.000 0.985 60 E CA 0.701 57.143 56.400 0.070 0.000 0.801 60 E CB 0.072 29.899 29.700 0.211 0.000 0.750 60 E HN 0.219 nan 8.360 nan 0.000 0.452 61 L N 0.758 121.917 121.223 -0.107 0.000 2.141 61 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 61 L C 0.737 177.557 176.870 -0.082 0.000 1.094 61 L CA 0.482 55.159 54.840 -0.271 0.000 0.763 61 L CB -0.318 41.445 42.059 -0.492 0.000 0.908 61 L HN 0.328 nan 8.230 nan 0.000 0.437 62 N N 0.580 119.236 118.700 -0.073 0.000 2.522 62 N HA -0.168 4.572 4.740 -0.000 0.000 0.281 62 N C -1.230 174.298 175.510 0.029 0.000 1.267 62 N CA 0.157 53.181 53.050 -0.043 0.000 0.675 62 N CB -0.623 37.828 38.487 -0.061 0.000 0.890 62 N HN -0.037 nan 8.380 nan 0.000 0.542 63 V N 5.417 125.332 119.914 0.001 0.000 2.350 63 V HA 0.301 4.420 4.120 -0.000 0.000 0.285 63 V C -1.324 174.783 176.094 0.022 0.000 1.014 63 V CA -1.116 61.222 62.300 0.063 0.000 0.831 63 V CB 1.738 33.560 31.823 -0.001 0.000 1.000 63 V HN 0.349 nan 8.190 nan 0.000 0.433 64 P HA 0.148 nan 4.420 nan 0.000 0.222 64 P C 0.189 177.501 177.300 0.020 0.000 1.153 64 P CA 0.811 63.930 63.100 0.033 0.000 0.798 64 P CB 0.739 32.477 31.700 0.063 0.000 0.796 65 I N -0.899 119.699 120.570 0.046 0.000 2.656 65 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 65 I C -1.579 174.586 176.117 0.080 0.000 1.144 65 I CA -1.278 60.049 61.300 0.045 0.000 1.038 65 I CB 2.144 40.166 38.000 0.036 0.000 1.244 65 I HN -0.367 nan 8.210 nan 0.000 0.420 66 I N 6.855 127.487 120.570 0.104 0.000 2.447 66 I HA 0.451 4.621 4.170 -0.000 0.000 0.287 66 I C -0.117 176.150 176.117 0.249 0.000 1.023 66 I CA -0.691 60.728 61.300 0.198 0.000 1.083 66 I CB 1.788 39.948 38.000 0.267 0.000 1.245 66 I HN 0.525 nan 8.210 nan 0.000 0.434 67 R N 5.251 125.907 120.500 0.261 0.000 2.491 67 R HA 0.339 4.679 4.340 -0.000 0.000 0.283 67 R C -1.771 174.790 176.300 0.434 0.000 1.072 67 R CA 0.115 56.361 56.100 0.243 0.000 1.048 67 R CB 0.716 31.043 30.300 0.045 0.000 0.983 67 R HN 0.614 nan 8.270 nan 0.000 0.450 68 Y N 5.150 125.507 120.300 0.096 0.000 2.565 68 Y HA 0.264 4.814 4.550 -0.000 0.000 0.330 68 Y C -2.421 173.458 175.900 -0.035 0.000 1.150 68 Y CA -1.808 56.252 58.100 -0.068 0.000 1.055 68 Y CB 2.372 40.593 38.460 -0.398 0.000 1.337 68 Y HN 0.511 nan 8.280 nan 0.000 0.457 69 P HA 0.393 nan 4.420 nan 0.000 0.263 69 P C -0.244 176.967 177.300 -0.148 0.000 1.448 69 P CA 0.583 63.081 63.100 -1.003 0.000 0.983 69 P CB 0.847 31.712 31.700 -1.392 0.000 1.481 70 G N -1.876 107.032 108.800 0.180 0.000 2.356 70 G HA2 0.517 4.477 3.960 -0.000 0.000 0.294 70 G HA3 0.517 4.477 3.960 -0.000 0.000 0.294 70 G C -0.699 174.338 174.900 0.230 0.000 1.423 70 G CA 0.030 45.375 45.100 0.408 0.000 0.806 70 G HN 0.266 nan 8.290 nan 0.000 0.527 71 G N -0.909 108.032 108.800 0.234 0.000 2.707 71 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 71 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 71 G C 0.512 175.658 174.900 0.410 0.000 1.315 71 G CA 0.354 45.754 45.100 0.499 0.000 0.832 71 G HN 1.053 nan 8.290 nan 0.000 0.573 72 N N -0.789 118.197 118.700 0.476 0.000 2.396 72 N HA 0.014 4.754 4.740 -0.000 0.000 0.180 72 N C 2.026 177.681 175.510 0.241 0.000 1.028 72 N CA 1.163 54.384 53.050 0.284 0.000 0.893 72 N CB -0.070 38.488 38.487 0.118 0.000 0.967 72 N HN 0.516 nan 8.380 nan 0.000 0.440 73 F N 1.232 121.332 119.950 0.249 0.000 2.154 73 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 73 F C 2.049 177.904 175.800 0.091 0.000 1.087 73 F CA 0.969 59.075 58.000 0.177 0.000 1.274 73 F CB -0.396 38.715 39.000 0.184 0.000 1.009 73 F HN -0.159 nan 8.300 nan 0.000 0.485 74 V N -0.580 119.394 119.914 0.100 0.000 2.809 74 V HA -0.196 3.924 4.120 -0.000 0.000 0.256 74 V C 2.131 178.211 176.094 -0.023 0.000 1.080 74 V CA 2.093 64.402 62.300 0.014 0.000 1.102 74 V CB -0.512 31.381 31.823 0.116 0.000 0.705 74 V HN 0.433 nan 8.190 nan 0.000 0.475 75 S N 0.616 116.308 115.700 -0.013 0.000 2.507 75 S HA -0.068 4.402 4.470 -0.000 0.000 0.235 75 S C 1.382 175.933 174.600 -0.081 0.000 0.988 75 S CA 1.305 59.489 58.200 -0.027 0.000 0.944 75 S CB -0.292 62.909 63.200 0.002 0.000 0.762 75 S HN 0.711 nan 8.310 nan 0.000 0.526 76 N N -0.091 118.537 118.700 -0.119 0.000 2.466 76 N HA 0.140 4.880 4.740 -0.000 0.000 0.272 76 N C -1.178 174.247 175.510 -0.142 0.000 1.455 76 N CA -0.382 52.598 53.050 -0.117 0.000 0.875 76 N CB 0.227 38.718 38.487 0.006 0.000 1.372 76 N HN 0.235 nan 8.380 nan 0.000 0.492 77 Y N 0.515 120.557 120.300 -0.430 0.000 2.334 77 Y HA 0.531 5.081 4.550 -0.000 0.000 0.328 77 Y C -1.263 174.410 175.900 -0.377 0.000 1.130 77 Y CA -1.048 56.810 58.100 -0.403 0.000 1.163 77 Y CB 0.401 38.510 38.460 -0.584 0.000 1.207 77 Y HN -0.069 nan 8.280 nan 0.000 0.471 78 F N 7.109 126.636 119.950 -0.704 0.000 2.366 78 F HA 0.168 4.695 4.527 -0.000 0.000 0.366 78 F C 0.609 175.812 175.800 -0.995 0.000 1.096 78 F CA -1.198 56.410 58.000 -0.652 0.000 1.060 78 F CB 0.431 39.189 39.000 -0.404 0.000 1.282 78 F HN 0.798 nan 8.300 nan 0.000 0.450 79 W N 1.921 122.749 121.300 -0.788 0.000 2.341 79 W HA -0.179 4.481 4.660 -0.000 0.000 0.283 79 W C 0.605 176.981 176.519 -0.239 0.000 1.215 79 W CA 1.416 58.419 57.345 -0.569 0.000 1.211 79 W CB -0.671 28.674 29.460 -0.192 0.000 1.131 79 W HN 0.445 nan 8.180 nan 0.000 0.552 80 E N 1.137 120.744 120.200 -0.988 0.000 2.204 80 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 80 E C 1.561 177.984 176.600 -0.296 0.000 0.990 80 E CA 1.930 57.866 56.400 -0.774 0.000 0.821 80 E CB -0.509 28.717 29.700 -0.791 0.000 0.750 80 E HN 0.157 nan 8.360 nan 0.000 0.477 81 D N -0.522 119.738 120.400 -0.232 0.000 2.310 81 D HA -0.064 4.576 4.640 -0.000 0.000 0.212 81 D C 1.536 177.859 176.300 0.038 0.000 0.965 81 D CA 1.201 55.151 54.000 -0.083 0.000 0.879 81 D CB -0.162 40.610 40.800 -0.048 0.000 0.921 81 D HN 0.307 nan 8.370 nan 0.000 0.510 82 G N 0.181 109.040 108.800 0.098 0.000 3.277 82 G HA2 0.301 4.261 3.960 -0.000 0.000 0.243 82 G HA3 0.301 4.261 3.960 -0.000 0.000 0.243 82 G C 0.521 175.526 174.900 0.175 0.000 1.107 82 G CA 0.038 45.266 45.100 0.214 0.000 0.771 82 G HN 0.208 nan 8.290 nan 0.000 0.544 83 V N -3.545 116.419 119.914 0.085 0.000 3.113 83 V HA 0.996 5.116 4.120 -0.000 0.000 0.316 83 V C 0.642 176.606 176.094 -0.217 0.000 1.125 83 V CA -0.353 61.964 62.300 0.028 0.000 1.026 83 V CB 1.058 32.978 31.823 0.163 0.000 1.080 83 V HN 1.340 nan 8.190 nan 0.000 0.444 84 G N 1.536 109.975 108.800 -0.601 0.000 2.725 84 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.220 84 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.220 84 G C -2.914 171.888 174.900 -0.163 0.000 1.357 84 G CA -0.391 44.309 45.100 -0.666 0.000 0.866 84 G HN 0.994 nan 8.290 nan 0.000 0.548 85 P HA 0.196 nan 4.420 nan 0.000 0.260 85 P C 1.206 178.514 177.300 0.014 0.000 1.172 85 P CA 0.397 63.507 63.100 0.016 0.000 0.760 85 P CB 1.118 32.839 31.700 0.035 0.000 0.773 86 V N 3.922 123.857 119.914 0.035 0.000 2.469 86 V HA -0.287 3.833 4.120 -0.000 0.000 0.251 86 V C 1.500 177.617 176.094 0.039 0.000 1.064 86 V CA 2.179 64.507 62.300 0.047 0.000 1.066 86 V CB -0.775 31.089 31.823 0.068 0.000 0.667 86 V HN 0.503 nan 8.190 nan 0.000 0.461 87 E N 0.114 120.334 120.200 0.032 0.000 2.204 87 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 87 E C 1.554 178.163 176.600 0.014 0.000 0.989 87 E CA 1.418 57.832 56.400 0.024 0.000 0.824 87 E CB -0.288 29.426 29.700 0.022 0.000 0.756 87 E HN 0.634 nan 8.360 nan 0.000 0.477 88 D N 0.174 120.580 120.400 0.011 0.000 2.339 88 D HA 0.036 4.676 4.640 -0.000 0.000 0.217 88 D C -0.027 176.268 176.300 -0.008 0.000 1.050 88 D CA 0.095 54.095 54.000 0.000 0.000 0.856 88 D CB 0.146 40.947 40.800 0.002 0.000 0.922 88 D HN 0.058 nan 8.370 nan 0.000 0.518 89 R N 2.188 122.691 120.500 0.004 0.000 2.347 89 R HA 0.236 4.576 4.340 -0.000 0.000 0.304 89 R C -2.139 174.164 176.300 0.006 0.000 1.072 89 R CA -1.055 55.050 56.100 0.008 0.000 0.980 89 R CB 0.428 30.752 30.300 0.040 0.000 0.986 89 R HN 0.044 nan 8.270 nan 0.000 0.448 90 P HA 0.200 nan 4.420 nan 0.000 0.281 90 P C -0.865 176.438 177.300 0.005 0.000 1.249 90 P CA -0.639 62.450 63.100 -0.019 0.000 0.810 90 P CB 0.924 32.592 31.700 -0.055 0.000 1.008 91 R N 1.777 122.274 120.500 -0.005 0.000 2.340 91 R HA 0.397 4.737 4.340 -0.000 0.000 0.300 91 R C 0.437 176.737 176.300 -0.000 0.000 1.069 91 R CA -0.343 55.762 56.100 0.009 0.000 0.984 91 R CB 0.552 30.847 30.300 -0.008 0.000 1.003 91 R HN 0.350 nan 8.270 nan 0.000 0.459 92 R N 2.531 123.060 120.500 0.047 0.000 2.803 92 R HA 0.381 4.721 4.340 -0.000 0.000 0.276 92 R C -0.521 175.822 176.300 0.072 0.000 0.978 92 R CA -1.035 55.089 56.100 0.040 0.000 0.939 92 R CB 1.133 31.486 30.300 0.088 0.000 1.179 92 R HN 0.487 nan 8.270 nan 0.000 0.472 93 L N 1.831 123.059 121.223 0.008 0.000 2.361 93 L HA 0.119 4.459 4.340 -0.000 0.000 0.278 93 L C 0.351 177.372 176.870 0.252 0.000 1.113 93 L CA -0.311 54.557 54.840 0.046 0.000 0.849 93 L CB 0.197 42.138 42.059 -0.197 0.000 1.155 93 L HN 0.452 nan 8.230 nan 0.000 0.452 94 D N 3.731 124.391 120.400 0.434 0.000 2.380 94 D HA 0.200 4.840 4.640 -0.000 0.000 0.230 94 D C 0.960 177.499 176.300 0.397 0.000 1.154 94 D CA -0.284 53.957 54.000 0.403 0.000 0.859 94 D CB 0.929 42.036 40.800 0.511 0.000 1.045 94 D HN 0.379 nan 8.370 nan 0.000 0.495 95 L N 3.066 124.450 121.223 0.268 0.000 2.156 95 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 95 L C 2.328 179.218 176.870 0.034 0.000 1.095 95 L CA 0.778 55.743 54.840 0.208 0.000 0.770 95 L CB -0.582 41.568 42.059 0.152 0.000 0.914 95 L HN 0.450 nan 8.230 nan 0.000 0.439 96 A N 0.086 122.875 122.820 -0.051 0.000 1.908 96 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 96 A C 1.423 178.624 177.584 -0.639 0.000 1.181 96 A CA 1.627 53.424 52.037 -0.400 0.000 0.627 96 A CB -0.650 18.063 19.000 -0.477 0.000 0.818 96 A HN 0.633 nan 8.150 nan 0.000 0.445 97 W N -2.094 119.267 121.300 0.101 0.000 2.599 97 W HA 0.507 5.167 4.660 -0.000 0.000 0.396 97 W C 0.327 176.801 176.519 -0.076 0.000 0.944 97 W CA -0.639 56.722 57.345 0.026 0.000 2.042 97 W CB 0.493 29.982 29.460 0.048 0.000 1.184 97 W HN 0.045 nan 8.180 nan 0.000 0.604 98 K N 1.004 121.370 120.400 -0.057 0.000 3.156 98 K HA -0.205 4.114 4.320 -0.000 0.000 0.266 98 K C -0.607 175.741 176.600 -0.420 0.000 0.966 98 K CA 0.742 56.681 56.287 -0.580 0.000 0.719 98 K CB -1.746 30.366 32.500 -0.646 0.000 1.333 98 K HN 0.093 nan 8.250 nan 0.000 0.468 99 S N -0.290 115.498 115.700 0.148 0.000 2.634 99 S HA 0.632 5.102 4.470 -0.000 0.000 0.296 99 S C -0.256 174.675 174.600 0.551 0.000 1.104 99 S CA -1.086 57.316 58.200 0.335 0.000 0.920 99 S CB 1.721 65.071 63.200 0.251 0.000 1.111 99 S HN 0.139 nan 8.310 nan 0.000 0.493 100 I N 2.423 123.225 120.570 0.387 0.000 2.325 100 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 100 I C 0.202 176.430 176.117 0.185 0.000 1.019 100 I CA -0.311 61.143 61.300 0.255 0.000 1.302 100 I CB 0.887 38.976 38.000 0.149 0.000 1.401 100 I HN 0.657 nan 8.210 nan 0.000 0.485 101 E N 10.396 130.729 120.200 0.221 0.000 2.089 101 E HA 0.301 4.651 4.350 -0.000 0.000 0.284 101 E C -1.909 174.769 176.600 0.130 0.000 1.023 101 E CA -2.043 54.499 56.400 0.236 0.000 0.819 101 E CB 1.175 31.129 29.700 0.422 0.000 1.076 101 E HN 0.254 nan 8.360 nan 0.000 0.396 102 P HA -0.024 nan 4.420 nan 0.000 0.236 102 P C -0.555 176.793 177.300 0.080 0.000 1.177 102 P CA 0.272 63.349 63.100 -0.039 0.000 0.773 102 P CB 0.196 31.758 31.700 -0.231 0.000 0.878 103 N N -0.339 118.491 118.700 0.217 0.000 2.708 103 N HA -0.191 4.549 4.740 -0.000 0.000 0.251 103 N C 1.002 176.669 175.510 0.262 0.000 1.123 103 N CA 0.826 54.049 53.050 0.289 0.000 0.739 103 N CB -1.666 36.954 38.487 0.222 0.000 1.113 103 N HN 0.442 nan 8.380 nan 0.000 0.561 104 Q N -0.328 119.648 119.800 0.293 0.000 2.119 104 Q HA -0.005 4.335 4.340 -0.000 0.000 0.201 104 Q C 0.547 176.604 176.000 0.094 0.000 0.972 104 Q CA 1.010 56.948 55.803 0.226 0.000 0.847 104 Q CB 0.336 29.269 28.738 0.323 0.000 0.903 104 Q HN 0.187 nan 8.270 nan 0.000 0.433 105 V N 0.098 120.079 119.914 0.112 0.000 2.427 105 V HA 0.625 4.745 4.120 -0.000 0.000 0.286 105 V C 0.046 176.295 176.094 0.259 0.000 1.034 105 V CA -0.391 61.885 62.300 -0.040 0.000 0.893 105 V CB 1.474 33.067 31.823 -0.382 0.000 0.982 105 V HN 0.245 nan 8.190 nan 0.000 0.452 106 G N 3.577 112.535 108.800 0.262 0.000 2.552 106 G HA2 0.492 4.452 3.960 -0.000 0.000 0.288 106 G HA3 0.492 4.452 3.960 -0.000 0.000 0.288 106 G C 0.005 175.122 174.900 0.361 0.000 1.358 106 G CA 0.280 45.603 45.100 0.372 0.000 1.305 106 G HN 1.045 nan 8.290 nan 0.000 0.602 107 I N 1.037 121.870 120.570 0.438 0.000 4.653 107 I HA -0.475 3.695 4.170 -0.000 0.000 0.052 107 I C 1.522 177.755 176.117 0.193 0.000 0.622 107 I CA 2.833 64.337 61.300 0.339 0.000 0.752 107 I CB -0.783 37.429 38.000 0.354 0.000 0.697 107 I HN 0.510 nan 8.210 nan 0.000 0.161 108 N N 0.936 119.815 118.700 0.298 0.000 2.104 108 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 108 N C 1.517 177.180 175.510 0.256 0.000 1.024 108 N CA 2.401 55.648 53.050 0.328 0.000 0.853 108 N CB -0.434 38.297 38.487 0.407 0.000 1.008 108 N HN 0.657 nan 8.380 nan 0.000 0.424 109 E N -0.134 120.213 120.200 0.246 0.000 2.046 109 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 109 E C 1.610 178.369 176.600 0.265 0.000 0.982 109 E CA 0.394 56.963 56.400 0.282 0.000 0.800 109 E CB -0.350 29.459 29.700 0.181 0.000 0.756 109 E HN 0.267 nan 8.360 nan 0.000 0.449 110 F N 0.901 120.815 119.950 -0.059 0.000 2.216 110 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 110 F C 2.018 177.704 175.800 -0.190 0.000 1.085 110 F CA 1.136 58.967 58.000 -0.283 0.000 1.326 110 F CB -0.242 38.282 39.000 -0.793 0.000 1.027 110 F HN 0.026 nan 8.300 nan 0.000 0.497 111 A N 0.855 123.636 122.820 -0.065 0.000 1.877 111 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 111 A C 2.146 179.682 177.584 -0.080 0.000 1.186 111 A CA 1.982 53.937 52.037 -0.137 0.000 0.620 111 A CB -0.733 18.100 19.000 -0.277 0.000 0.822 111 A HN 0.554 nan 8.150 nan 0.000 0.443 112 K N -2.365 118.057 120.400 0.036 0.000 2.366 112 K HA -0.113 4.207 4.320 -0.000 0.000 0.198 112 K C 1.747 178.299 176.600 -0.081 0.000 1.044 112 K CA 0.990 57.317 56.287 0.066 0.000 0.973 112 K CB -0.326 32.307 32.500 0.221 0.000 0.767 112 K HN 0.562 nan 8.250 nan 0.000 0.475 113 W N 1.489 122.461 121.300 -0.547 0.000 2.409 113 W HA -0.084 4.576 4.660 -0.000 0.000 0.299 113 W C 1.573 177.670 176.519 -0.704 0.000 1.203 113 W CA 0.820 57.570 57.345 -0.991 0.000 1.298 113 W CB -0.300 28.291 29.460 -1.448 0.000 1.127 113 W HN 0.104 nan 8.180 nan 0.000 0.528 114 C N 0.998 119.939 119.300 -0.599 0.000 2.435 114 C HA -0.134 4.326 4.460 -0.000 0.000 0.279 114 C C 2.710 177.446 174.990 -0.424 0.000 1.321 114 C CA 0.929 59.599 59.018 -0.580 0.000 1.752 114 C CB -1.004 26.486 27.740 -0.416 0.000 1.959 114 C HN 0.223 nan 8.230 nan 0.000 0.500 115 K N 1.243 121.467 120.400 -0.294 0.000 2.063 115 K HA -0.139 4.180 4.320 -0.000 0.000 0.208 115 K C 1.912 178.366 176.600 -0.243 0.000 1.048 115 K CA 1.392 57.563 56.287 -0.194 0.000 0.928 115 K CB -0.330 32.115 32.500 -0.091 0.000 0.713 115 K HN 0.567 nan 8.250 nan 0.000 0.442 116 K N 0.779 120.979 120.400 -0.334 0.000 2.217 116 K HA -0.057 4.262 4.320 -0.000 0.000 0.202 116 K C 1.729 178.069 176.600 -0.432 0.000 1.051 116 K CA 1.013 57.101 56.287 -0.333 0.000 0.952 116 K CB 0.125 32.435 32.500 -0.317 0.000 0.736 116 K HN 0.079 nan 8.250 nan 0.000 0.453 117 V N -1.814 117.727 119.914 -0.622 0.000 3.542 117 V HA 0.155 4.275 4.120 -0.000 0.000 0.296 117 V C -0.347 175.521 176.094 -0.376 0.000 1.364 117 V CA -0.490 61.459 62.300 -0.586 0.000 1.118 117 V CB -0.656 30.605 31.823 -0.936 0.000 0.972 117 V HN 0.266 nan 8.190 nan 0.000 0.430 118 N N 0.868 119.392 118.700 -0.294 0.000 2.740 118 N HA -0.161 4.579 4.740 -0.000 0.000 0.248 118 N C 0.080 175.490 175.510 -0.167 0.000 1.062 118 N CA 1.233 54.170 53.050 -0.188 0.000 0.704 118 N CB -1.323 37.081 38.487 -0.138 0.000 0.968 118 N HN 1.088 nan 8.380 nan 0.000 0.547 119 A N -0.178 122.517 122.820 -0.208 0.000 2.380 119 A HA 0.680 5.000 4.320 -0.000 0.000 0.315 119 A C -0.049 177.465 177.584 -0.116 0.000 1.101 119 A CA -0.634 51.312 52.037 -0.153 0.000 0.771 119 A CB 1.815 20.700 19.000 -0.191 0.000 1.287 119 A HN 0.174 nan 8.150 nan 0.000 0.436 120 E N 0.612 120.778 120.200 -0.057 0.000 2.214 120 E HA 0.460 4.809 4.350 -0.000 0.000 0.274 120 E C -0.873 175.720 176.600 -0.011 0.000 0.977 120 E CA -0.501 55.880 56.400 -0.032 0.000 0.827 120 E CB 1.786 31.482 29.700 -0.006 0.000 1.130 120 E HN 0.572 nan 8.360 nan 0.000 0.394 121 I N 2.446 123.009 120.570 -0.013 0.000 2.474 121 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 121 I C 0.129 176.216 176.117 -0.050 0.000 1.048 121 I CA 0.037 61.348 61.300 0.018 0.000 1.383 121 I CB 0.644 38.647 38.000 0.005 0.000 1.412 121 I HN 0.377 nan 8.210 nan 0.000 0.531 122 M N 7.878 127.473 119.600 -0.009 0.000 2.055 122 M HA 0.355 4.835 4.480 -0.000 0.000 0.346 122 M C -0.804 175.431 176.300 -0.108 0.000 1.074 122 M CA -0.758 54.494 55.300 -0.081 0.000 1.009 122 M CB 0.842 33.433 32.600 -0.014 0.000 1.423 122 M HN 0.519 nan 8.290 nan 0.000 0.410 123 M N 4.897 124.279 119.600 -0.364 0.000 2.146 123 M HA 0.563 5.043 4.480 -0.000 0.000 0.357 123 M C -0.767 175.477 176.300 -0.092 0.000 1.261 123 M CA 0.102 55.195 55.300 -0.345 0.000 1.106 123 M CB 1.035 33.086 32.600 -0.915 0.000 1.612 123 M HN 0.683 nan 8.290 nan 0.000 0.470 124 A N 5.182 128.018 122.820 0.028 0.000 2.301 124 A HA 0.683 5.003 4.320 -0.000 0.000 0.312 124 A C -0.665 177.026 177.584 0.178 0.000 1.182 124 A CA -0.689 51.420 52.037 0.120 0.000 0.826 124 A CB 0.389 19.439 19.000 0.085 0.000 1.134 124 A HN 1.009 nan 8.150 nan 0.000 0.501 125 V N 0.869 120.917 119.914 0.225 0.000 2.713 125 V HA 0.492 4.612 4.120 -0.000 0.000 0.307 125 V C 0.237 176.411 176.094 0.134 0.000 1.052 125 V CA -1.225 61.194 62.300 0.198 0.000 0.967 125 V CB 1.545 33.483 31.823 0.193 0.000 1.019 125 V HN 0.820 nan 8.190 nan 0.000 0.459 126 N N 2.914 121.667 118.700 0.089 0.000 2.406 126 N HA 0.223 4.963 4.740 -0.000 0.000 0.265 126 N C -0.066 175.449 175.510 0.007 0.000 1.203 126 N CA 0.068 53.124 53.050 0.009 0.000 0.945 126 N CB 0.293 38.707 38.487 -0.122 0.000 1.165 126 N HN 0.853 nan 8.380 nan 0.000 0.485 127 L N 2.457 123.706 121.223 0.044 0.000 3.014 127 L HA 0.322 4.662 4.340 -0.000 0.000 0.263 127 L C 1.687 178.585 176.870 0.047 0.000 1.207 127 L CA -0.268 54.610 54.840 0.063 0.000 1.017 127 L CB 0.530 42.680 42.059 0.152 0.000 1.360 127 L HN 0.565 nan 8.230 nan 0.000 0.560 128 G N 0.385 109.187 108.800 0.003 0.000 2.508 128 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.212 128 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.212 128 G C 1.399 176.286 174.900 -0.021 0.000 1.206 128 G CA 1.239 46.335 45.100 -0.006 0.000 0.822 128 G HN 0.329 nan 8.290 nan 0.000 0.550 129 T N -1.852 112.664 114.554 -0.064 0.000 3.054 129 T HA 0.442 4.792 4.350 -0.000 0.000 0.255 129 T C 0.974 175.628 174.700 -0.076 0.000 1.035 129 T CA -0.338 61.731 62.100 -0.051 0.000 0.941 129 T CB 0.429 69.281 68.868 -0.026 0.000 1.026 129 T HN 0.151 nan 8.240 nan 0.000 0.533 130 R N -0.492 119.940 120.500 -0.114 0.000 2.930 130 R HA 0.775 5.115 4.340 -0.000 0.000 0.257 130 R C 0.146 176.422 176.300 -0.039 0.000 1.107 130 R CA -0.916 55.130 56.100 -0.091 0.000 0.999 130 R CB 1.774 31.971 30.300 -0.172 0.000 1.209 130 R HN 0.236 nan 8.270 nan 0.000 0.486 131 G N -0.316 108.470 108.800 -0.024 0.000 3.214 131 G HA2 0.298 4.258 3.960 -0.000 0.000 0.188 131 G HA3 0.298 4.258 3.960 -0.000 0.000 0.188 131 G C 0.714 175.598 174.900 -0.027 0.000 1.126 131 G CA -0.632 44.455 45.100 -0.022 0.000 0.796 131 G HN 0.439 nan 8.290 nan 0.000 0.631 132 I N 1.216 121.761 120.570 -0.042 0.000 2.099 132 I HA -0.183 3.987 4.170 -0.000 0.000 0.239 132 I C 3.138 179.221 176.117 -0.057 0.000 1.066 132 I CA 2.218 63.482 61.300 -0.060 0.000 1.324 132 I CB -0.382 37.574 38.000 -0.073 0.000 1.037 132 I HN 0.461 nan 8.210 nan 0.000 0.401 133 S N 0.275 115.952 115.700 -0.037 0.000 2.399 133 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 133 S C 1.594 176.177 174.600 -0.028 0.000 1.022 133 S CA 1.358 59.539 58.200 -0.030 0.000 0.983 133 S CB -0.544 62.655 63.200 -0.002 0.000 0.803 133 S HN 0.412 nan 8.310 nan 0.000 0.480 134 D N 2.262 122.666 120.400 0.008 0.000 2.149 134 D HA 0.075 4.715 4.640 -0.000 0.000 0.201 134 D C 2.282 178.603 176.300 0.035 0.000 0.972 134 D CA 1.284 55.333 54.000 0.081 0.000 0.835 134 D CB -0.469 40.392 40.800 0.102 0.000 0.966 134 D HN 0.593 nan 8.370 nan 0.000 0.476 135 A N 0.701 123.500 122.820 -0.036 0.000 1.930 135 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 135 A C 2.536 179.993 177.584 -0.212 0.000 1.175 135 A CA 0.940 52.915 52.037 -0.104 0.000 0.627 135 A CB -0.851 18.100 19.000 -0.081 0.000 0.815 135 A HN 0.298 nan 8.150 nan 0.000 0.443 136 C N -0.181 119.013 119.300 -0.176 0.000 2.429 136 C HA -0.090 4.370 4.460 -0.000 0.000 0.277 136 C C 2.670 177.519 174.990 -0.234 0.000 1.262 136 C CA 1.131 60.032 59.018 -0.196 0.000 1.733 136 C CB -1.424 26.237 27.740 -0.131 0.000 2.010 136 C HN 0.650 nan 8.230 nan 0.000 0.483 137 N N 1.103 119.638 118.700 -0.274 0.000 2.069 137 N HA -0.110 4.630 4.740 -0.000 0.000 0.191 137 N C 1.470 176.700 175.510 -0.467 0.000 1.031 137 N CA 1.020 53.758 53.050 -0.521 0.000 0.852 137 N CB -0.720 37.407 38.487 -0.600 0.000 1.018 137 N HN 0.358 nan 8.380 nan 0.000 0.423 138 L N 0.662 121.529 121.223 -0.593 0.000 2.093 138 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 138 L C 1.970 178.675 176.870 -0.275 0.000 1.085 138 L CA 1.105 55.411 54.840 -0.889 0.000 0.755 138 L CB -0.814 40.674 42.059 -0.951 0.000 0.904 138 L HN 0.111 nan 8.230 nan 0.000 0.435 139 L N -0.280 120.738 121.223 -0.342 0.000 2.056 139 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 139 L C 2.472 179.305 176.870 -0.063 0.000 1.078 139 L CA 2.047 56.658 54.840 -0.382 0.000 0.749 139 L CB -0.826 40.835 42.059 -0.663 0.000 0.901 139 L HN 0.520 nan 8.230 nan 0.000 0.433 140 E N -1.570 118.598 120.200 -0.053 0.000 2.051 140 E HA -0.322 4.027 4.350 -0.000 0.000 0.192 140 E C 2.253 178.966 176.600 0.188 0.000 0.991 140 E CA 1.586 58.030 56.400 0.073 0.000 0.799 140 E CB -0.452 29.276 29.700 0.046 0.000 0.748 140 E HN 0.616 nan 8.360 nan 0.000 0.449 141 Y N 0.638 120.977 120.300 0.064 0.000 2.114 141 Y HA -0.320 4.230 4.550 -0.000 0.000 0.282 141 Y C 2.323 178.327 175.900 0.173 0.000 1.165 141 Y CA 2.051 60.238 58.100 0.144 0.000 1.148 141 Y CB -0.406 38.071 38.460 0.027 0.000 0.972 141 Y HN 0.214 nan 8.280 nan 0.000 0.504 142 C N -0.278 119.278 119.300 0.427 0.000 2.492 142 C HA 0.004 4.463 4.460 -0.000 0.000 0.279 142 C C 2.088 177.263 174.990 0.308 0.000 1.335 142 C CA 1.151 60.457 59.018 0.480 0.000 1.734 142 C CB -0.948 27.167 27.740 0.625 0.000 2.027 142 C HN 0.589 nan 8.230 nan 0.000 0.496 143 N N -1.562 117.295 118.700 0.263 0.000 2.397 143 N HA 0.042 4.782 4.740 -0.000 0.000 0.190 143 N C 0.484 176.069 175.510 0.125 0.000 1.099 143 N CA 0.193 53.363 53.050 0.200 0.000 0.876 143 N CB -0.306 38.310 38.487 0.216 0.000 1.143 143 N HN 0.529 nan 8.380 nan 0.000 0.468 144 H N 1.696 120.797 119.070 0.052 0.000 2.722 144 H HA 0.091 4.647 4.556 -0.000 0.000 0.328 144 H C -1.554 173.777 175.328 0.005 0.000 1.067 144 H CA -1.209 54.855 56.048 0.027 0.000 1.447 144 H CB 1.658 31.439 29.762 0.031 0.000 1.469 144 H HN -0.018 nan 8.280 nan 0.000 0.544 145 P HA -0.028 nan 4.420 nan 0.000 0.215 145 P C 0.119 177.416 177.300 -0.004 0.000 1.157 145 P CA 1.394 64.427 63.100 -0.112 0.000 0.868 145 P CB 0.397 31.992 31.700 -0.175 0.000 0.788 146 G N -5.077 103.787 108.800 0.107 0.000 2.313 146 G HA2 0.409 4.369 3.960 -0.000 0.000 0.296 146 G HA3 0.409 4.369 3.960 -0.000 0.000 0.296 146 G C -0.101 174.901 174.900 0.169 0.000 1.356 146 G CA 0.249 45.421 45.100 0.120 0.000 0.833 146 G HN 0.352 nan 8.290 nan 0.000 0.552 147 G N -1.583 107.269 108.800 0.087 0.000 2.132 147 G HA2 0.277 4.237 3.960 -0.000 0.000 0.234 147 G HA3 0.277 4.237 3.960 -0.000 0.000 0.234 147 G C 0.484 175.407 174.900 0.038 0.000 0.989 147 G CA 1.342 46.481 45.100 0.065 0.000 0.676 147 G HN 2.449 nan 8.290 nan 0.000 0.522 148 S N -1.925 113.784 115.700 0.015 0.000 2.651 148 S HA 0.727 5.197 4.470 -0.000 0.000 0.279 148 S C 0.924 175.507 174.600 -0.027 0.000 1.148 148 S CA 0.235 58.415 58.200 -0.034 0.000 0.837 148 S CB 1.957 65.077 63.200 -0.132 0.000 1.138 148 S HN 0.363 nan 8.310 nan 0.000 0.478 149 K N -0.126 120.248 120.400 -0.043 0.000 2.015 149 K HA -0.201 4.119 4.320 -0.000 0.000 0.216 149 K C 1.256 177.748 176.600 -0.180 0.000 1.052 149 K CA 2.212 58.410 56.287 -0.148 0.000 0.937 149 K CB -0.488 31.868 32.500 -0.240 0.000 0.719 149 K HN 0.733 nan 8.250 nan 0.000 0.446 150 Y N 0.258 120.611 120.300 0.089 0.000 2.448 150 Y HA -0.044 4.506 4.550 -0.000 0.000 0.289 150 Y C 2.684 178.623 175.900 0.065 0.000 1.114 150 Y CA 0.950 59.168 58.100 0.197 0.000 1.235 150 Y CB 0.134 38.777 38.460 0.306 0.000 1.045 150 Y HN 0.264 nan 8.280 nan 0.000 0.554 151 S N -0.592 115.184 115.700 0.126 0.000 2.371 151 S HA -0.150 4.319 4.470 -0.000 0.000 0.224 151 S C 1.461 176.019 174.600 -0.070 0.000 1.029 151 S CA 1.381 59.594 58.200 0.022 0.000 0.978 151 S CB -0.391 62.894 63.200 0.142 0.000 0.833 151 S HN 0.274 nan 8.310 nan 0.000 0.466 152 D N 1.206 121.579 120.400 -0.046 0.000 2.178 152 D HA 0.020 4.660 4.640 -0.000 0.000 0.202 152 D C 1.791 178.005 176.300 -0.144 0.000 0.974 152 D CA 0.826 54.781 54.000 -0.076 0.000 0.841 152 D CB -0.361 40.406 40.800 -0.054 0.000 0.953 152 D HN 0.403 nan 8.370 nan 0.000 0.478 153 M N 0.001 119.504 119.600 -0.161 0.000 2.117 153 M HA -0.150 4.329 4.480 -0.000 0.000 0.262 153 M C 2.209 178.198 176.300 -0.517 0.000 1.065 153 M CA 1.242 56.380 55.300 -0.270 0.000 1.114 153 M CB 0.185 32.792 32.600 0.012 0.000 1.361 153 M HN -0.142 nan 8.290 nan 0.000 0.408 154 R N 0.502 120.673 120.500 -0.549 0.000 2.081 154 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 154 R C 1.897 178.068 176.300 -0.214 0.000 1.131 154 R CA 1.695 57.441 56.100 -0.591 0.000 0.960 154 R CB -0.459 29.316 30.300 -0.875 0.000 0.856 154 R HN 0.422 nan 8.270 nan 0.000 0.436 155 I N 0.944 121.402 120.570 -0.185 0.000 2.208 155 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 155 I C 2.592 178.682 176.117 -0.045 0.000 1.097 155 I CA 1.447 62.695 61.300 -0.087 0.000 1.363 155 I CB -0.262 37.696 38.000 -0.070 0.000 1.051 155 I HN 0.198 nan 8.210 nan 0.000 0.413 156 K N 0.443 120.787 120.400 -0.093 0.000 2.147 156 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 156 K C 1.832 178.488 176.600 0.092 0.000 1.049 156 K CA 1.445 57.710 56.287 -0.037 0.000 0.936 156 K CB -0.138 32.308 32.500 -0.091 0.000 0.722 156 K HN 0.492 nan 8.250 nan 0.000 0.446 157 H N -1.954 117.179 119.070 0.105 0.000 2.556 157 H HA 0.087 4.643 4.556 -0.000 0.000 0.268 157 H C 0.854 176.265 175.328 0.138 0.000 0.996 157 H CA 0.133 56.275 56.048 0.157 0.000 1.157 157 H CB 0.587 30.512 29.762 0.272 0.000 1.355 157 H HN 0.544 nan 8.280 nan 0.000 0.597 158 G N 0.413 109.329 108.800 0.193 0.000 2.184 158 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.206 158 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.206 158 G C -0.100 174.869 174.900 0.114 0.000 0.995 158 G CA 0.014 45.198 45.100 0.140 0.000 0.651 158 G HN 0.170 nan 8.290 nan 0.000 0.511 159 V N 2.359 122.331 119.914 0.097 0.000 2.275 159 V HA 0.416 4.536 4.120 -0.000 0.000 0.272 159 V C 1.398 177.468 176.094 -0.039 0.000 1.028 159 V CA -0.339 61.983 62.300 0.038 0.000 0.810 159 V CB 1.345 33.190 31.823 0.037 0.000 1.043 159 V HN 0.201 nan 8.190 nan 0.000 0.453 160 K N 2.134 122.521 120.400 -0.021 0.000 2.001 160 K HA 0.010 4.330 4.320 -0.000 0.000 0.208 160 K C 0.775 177.340 176.600 -0.057 0.000 1.048 160 K CA 1.049 57.316 56.287 -0.033 0.000 0.932 160 K CB 0.393 32.888 32.500 -0.010 0.000 0.715 160 K HN 0.566 nan 8.250 nan 0.000 0.437 161 E N 2.104 122.270 120.200 -0.057 0.000 2.313 161 E HA 0.171 4.521 4.350 -0.000 0.000 0.276 161 E C -2.248 174.274 176.600 -0.130 0.000 1.031 161 E CA -2.419 53.943 56.400 -0.064 0.000 0.857 161 E CB 0.782 30.464 29.700 -0.029 0.000 1.040 161 E HN 0.223 nan 8.360 nan 0.000 0.408 162 P HA 0.022 nan 4.420 nan 0.000 0.269 162 P C 0.540 177.795 177.300 -0.074 0.000 1.209 162 P CA -0.021 63.009 63.100 -0.116 0.000 0.776 162 P CB 0.673 32.362 31.700 -0.019 0.000 0.876 163 H N 0.988 120.126 119.070 0.114 0.000 2.457 163 H HA -0.066 4.490 4.556 -0.000 0.000 0.294 163 H C 0.350 175.741 175.328 0.106 0.000 1.064 163 H CA 0.777 56.893 56.048 0.113 0.000 1.330 163 H CB -0.471 29.378 29.762 0.145 0.000 1.395 163 H HN 0.464 nan 8.280 nan 0.000 0.541 164 N N 0.385 119.225 118.700 0.232 0.000 2.696 164 N HA -0.179 4.561 4.740 -0.000 0.000 0.256 164 N C -0.717 174.920 175.510 0.211 0.000 1.031 164 N CA 0.341 53.510 53.050 0.199 0.000 0.730 164 N CB -1.822 36.740 38.487 0.125 0.000 0.894 164 N HN 0.359 nan 8.380 nan 0.000 0.544 165 I N 0.690 121.421 120.570 0.269 0.000 2.517 165 I HA -0.071 4.099 4.170 -0.000 0.000 0.285 165 I C 1.620 177.911 176.117 0.290 0.000 1.106 165 I CA 0.241 61.621 61.300 0.135 0.000 1.402 165 I CB 0.660 38.543 38.000 -0.195 0.000 1.399 165 I HN 0.111 nan 8.210 nan 0.000 0.535 166 K N 4.226 124.726 120.400 0.166 0.000 2.166 166 K HA 0.150 4.470 4.320 -0.000 0.000 0.201 166 K C -0.115 176.659 176.600 0.291 0.000 1.052 166 K CA 0.662 57.086 56.287 0.230 0.000 0.969 166 K CB 0.373 32.961 32.500 0.147 0.000 0.761 166 K HN 0.377 nan 8.250 nan 0.000 0.459 167 V N 1.195 121.202 119.914 0.156 0.000 2.417 167 V HA 0.296 4.415 4.120 -0.000 0.000 0.291 167 V C -1.324 174.814 176.094 0.073 0.000 1.024 167 V CA -0.842 61.576 62.300 0.197 0.000 0.861 167 V CB 0.937 32.823 31.823 0.105 0.000 0.985 167 V HN 0.158 nan 8.190 nan 0.000 0.436 168 W N 2.605 123.979 121.300 0.123 0.000 2.736 168 W HA 0.621 5.281 4.660 -0.000 0.000 0.335 168 W C -0.526 176.063 176.519 0.117 0.000 1.059 168 W CA -0.560 56.849 57.345 0.107 0.000 1.226 168 W CB 1.690 31.203 29.460 0.088 0.000 1.416 168 W HN 0.443 nan 8.180 nan 0.000 0.505 169 C N 3.703 123.180 119.300 0.295 0.000 2.285 169 C HA 0.404 4.864 4.460 -0.000 0.000 0.335 169 C C 0.692 175.837 174.990 0.259 0.000 1.267 169 C CA -0.800 58.359 59.018 0.235 0.000 1.762 169 C CB -0.675 27.152 27.740 0.145 0.000 2.365 169 C HN 0.461 nan 8.230 nan 0.000 0.527 170 L N 5.046 126.428 121.223 0.265 0.000 2.382 170 L HA 0.398 4.738 4.340 -0.000 0.000 0.259 170 L C 1.215 178.277 176.870 0.321 0.000 1.291 170 L CA 0.699 55.698 54.840 0.265 0.000 1.176 170 L CB -1.308 40.889 42.059 0.230 0.000 1.373 170 L HN 1.141 nan 8.230 nan 0.000 0.426 171 G N 1.986 110.925 108.800 0.231 0.000 2.741 171 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.222 171 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.222 171 G C -0.791 174.187 174.900 0.130 0.000 1.364 171 G CA -0.451 44.754 45.100 0.175 0.000 0.866 171 G HN 0.593 nan 8.290 nan 0.000 0.555 172 N N -0.518 118.230 118.700 0.080 0.000 2.402 172 N HA 0.712 5.452 4.740 -0.000 0.000 0.294 172 N C 0.507 176.010 175.510 -0.010 0.000 1.203 172 N CA 0.552 53.653 53.050 0.084 0.000 0.838 172 N CB 1.516 40.084 38.487 0.134 0.000 1.306 172 N HN 1.701 nan 8.380 nan 0.000 0.510 173 A N 1.874 124.692 122.820 -0.004 0.000 2.583 173 A HA 0.001 4.321 4.320 -0.000 0.000 0.249 173 A C 0.481 177.941 177.584 -0.206 0.000 1.035 173 A CA 0.859 52.788 52.037 -0.181 0.000 0.777 173 A CB -0.541 18.357 19.000 -0.169 0.000 0.942 173 A HN 0.823 nan 8.150 nan 0.000 0.516 174 M N 1.898 121.300 119.600 -0.330 0.000 2.596 174 M HA 0.074 4.553 4.480 -0.000 0.000 0.364 174 M C 0.450 176.590 176.300 -0.268 0.000 1.158 174 M CA 0.022 55.183 55.300 -0.232 0.000 0.940 174 M CB 0.487 33.014 32.600 -0.122 0.000 1.388 174 M HN 0.886 nan 8.290 nan 0.000 0.522 175 D N -0.726 119.335 120.400 -0.565 0.000 2.349 175 D HA 0.044 4.684 4.640 -0.000 0.000 0.215 175 D C 0.837 176.951 176.300 -0.310 0.000 1.016 175 D CA 0.203 53.924 54.000 -0.466 0.000 0.870 175 D CB -0.133 40.110 40.800 -0.928 0.000 0.917 175 D HN 0.210 nan 8.370 nan 0.000 0.524 176 G N 1.616 109.996 108.800 -0.699 0.000 2.390 176 G HA2 0.353 4.312 3.960 -0.000 0.000 0.270 176 G HA3 0.353 4.312 3.960 -0.000 0.000 0.270 176 G C -1.577 172.608 174.900 -1.191 0.000 1.211 176 G CA -1.185 42.976 45.100 -1.565 0.000 0.842 176 G HN -0.080 nan 8.290 nan 0.000 0.519 177 P HA -0.025 nan 4.420 nan 0.000 0.242 177 P C 0.684 177.823 177.300 -0.269 0.000 1.197 177 P CA 0.483 63.265 63.100 -0.530 0.000 0.765 177 P CB 0.022 31.558 31.700 -0.274 0.000 0.936 178 W N -1.128 120.106 121.300 -0.110 0.000 3.211 178 W HA 0.376 5.035 4.660 -0.000 0.000 0.292 178 W C 0.543 177.003 176.519 -0.099 0.000 1.268 178 W CA -0.429 56.856 57.345 -0.100 0.000 1.702 178 W CB -0.724 28.675 29.460 -0.102 0.000 1.092 178 W HN -0.179 nan 8.180 nan 0.000 0.643 179 Q N 1.818 121.407 119.800 -0.352 0.000 2.271 179 Q HA 0.318 4.658 4.340 -0.000 0.000 0.258 179 Q C -0.235 175.716 176.000 -0.081 0.000 0.936 179 Q CA -0.747 54.961 55.803 -0.158 0.000 0.909 179 Q CB 2.792 31.398 28.738 -0.221 0.000 1.253 179 Q HN 0.004 nan 8.270 nan 0.000 0.440 180 V N 3.679 123.577 119.914 -0.027 0.000 2.585 180 V HA 0.309 4.429 4.120 -0.000 0.000 0.296 180 V C 0.788 176.883 176.094 0.003 0.000 1.035 180 V CA 1.753 64.053 62.300 -0.001 0.000 1.084 180 V CB 0.304 32.135 31.823 0.013 0.000 0.953 180 V HN 1.069 nan 8.190 nan 0.000 0.483 181 G N 4.054 112.867 108.800 0.021 0.000 2.182 181 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.248 181 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.248 181 G C 0.263 175.177 174.900 0.024 0.000 1.042 181 G CA 0.449 45.561 45.100 0.020 0.000 0.775 181 G HN 1.664 nan 8.290 nan 0.000 0.501 182 H N 0.919 119.951 119.070 -0.063 0.000 3.034 182 H HA 0.339 4.895 4.556 -0.000 0.000 0.324 182 H C -0.108 175.220 175.328 -0.000 0.000 1.015 182 H CA 0.570 56.570 56.048 -0.081 0.000 1.429 182 H CB 0.544 30.223 29.762 -0.138 0.000 1.429 182 H HN 0.197 nan 8.280 nan 0.000 0.585 183 K N 3.764 123.850 120.400 -0.522 0.000 2.267 183 K HA 0.194 4.514 4.320 -0.000 0.000 0.246 183 K C 0.180 176.578 176.600 -0.336 0.000 0.954 183 K CA -0.828 55.274 56.287 -0.309 0.000 0.824 183 K CB 1.952 34.460 32.500 0.013 0.000 1.167 183 K HN 0.775 nan 8.250 nan 0.000 0.431 184 T N -1.859 112.604 114.554 -0.152 0.000 2.849 184 T HA 0.145 4.495 4.350 -0.000 0.000 0.284 184 T C 1.795 176.456 174.700 -0.063 0.000 1.004 184 T CA -0.620 61.484 62.100 0.007 0.000 1.021 184 T CB 0.417 69.289 68.868 0.007 0.000 1.013 184 T HN 0.697 nan 8.240 nan 0.000 0.527 185 M N 0.124 119.659 119.600 -0.107 0.000 2.149 185 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 185 M C 1.098 177.197 176.300 -0.335 0.000 1.064 185 M CA 1.809 56.772 55.300 -0.562 0.000 1.102 185 M CB -0.749 31.688 32.600 -0.272 0.000 1.369 185 M HN 0.506 nan 8.290 nan 0.000 0.408 186 D N 1.012 121.333 120.400 -0.132 0.000 2.162 186 D HA -0.083 4.556 4.640 -0.000 0.000 0.203 186 D C 1.915 178.043 176.300 -0.286 0.000 0.967 186 D CA 1.303 55.242 54.000 -0.101 0.000 0.840 186 D CB -0.154 40.656 40.800 0.016 0.000 0.972 186 D HN 0.604 nan 8.370 nan 0.000 0.482 187 E N -0.043 120.044 120.200 -0.189 0.000 2.051 187 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 187 E C 2.007 178.495 176.600 -0.186 0.000 0.991 187 E CA 0.799 57.096 56.400 -0.171 0.000 0.799 187 E CB -0.148 29.496 29.700 -0.093 0.000 0.748 187 E HN 0.281 nan 8.360 nan 0.000 0.449 188 Y N 0.973 121.102 120.300 -0.285 0.000 2.200 188 Y HA -0.089 4.461 4.550 -0.000 0.000 0.290 188 Y C 2.194 177.917 175.900 -0.295 0.000 1.137 188 Y CA 1.642 59.594 58.100 -0.247 0.000 1.163 188 Y CB -0.728 37.606 38.460 -0.211 0.000 0.988 188 Y HN -0.001 nan 8.280 nan 0.000 0.518 189 G N 0.875 109.357 108.800 -0.529 0.000 2.476 189 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 189 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 189 G C 1.837 176.323 174.900 -0.690 0.000 1.164 189 G CA 0.994 45.773 45.100 -0.535 0.000 0.768 189 G HN 0.250 nan 8.290 nan 0.000 0.560 190 R N -0.285 119.712 120.500 -0.839 0.000 2.066 190 R HA 0.050 4.390 4.340 -0.000 0.000 0.232 190 R C 2.513 178.580 176.300 -0.390 0.000 1.131 190 R CA 0.867 56.585 56.100 -0.636 0.000 0.955 190 R CB -0.954 29.018 30.300 -0.547 0.000 0.851 190 R HN 0.466 nan 8.270 nan 0.000 0.432 191 I N 1.046 121.404 120.570 -0.353 0.000 2.315 191 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 191 I C 2.108 178.054 176.117 -0.284 0.000 1.117 191 I CA 1.164 62.314 61.300 -0.250 0.000 1.404 191 I CB -0.266 37.648 38.000 -0.143 0.000 1.071 191 I HN 0.106 nan 8.210 nan 0.000 0.419 192 A N -0.289 122.243 122.820 -0.481 0.000 1.898 192 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 192 A C 2.370 179.806 177.584 -0.247 0.000 1.181 192 A CA 1.855 53.627 52.037 -0.442 0.000 0.620 192 A CB -0.830 17.689 19.000 -0.802 0.000 0.819 192 A HN 0.573 nan 8.150 nan 0.000 0.442 193 E N -0.451 119.606 120.200 -0.237 0.000 2.058 193 E HA -0.236 4.113 4.350 -0.000 0.000 0.194 193 E C 1.803 178.267 176.600 -0.226 0.000 0.997 193 E CA 1.454 57.769 56.400 -0.141 0.000 0.801 193 E CB -0.076 29.576 29.700 -0.079 0.000 0.746 193 E HN 0.532 nan 8.360 nan 0.000 0.450 194 E N -0.106 119.961 120.200 -0.223 0.000 2.107 194 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 194 E C 2.195 178.677 176.600 -0.196 0.000 0.982 194 E CA 1.245 57.514 56.400 -0.219 0.000 0.809 194 E CB -0.488 29.107 29.700 -0.175 0.000 0.756 194 E HN 0.277 nan 8.360 nan 0.000 0.459 195 T N 1.511 115.967 114.554 -0.163 0.000 2.708 195 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 195 T C 1.975 176.595 174.700 -0.133 0.000 1.037 195 T CA 1.604 63.627 62.100 -0.129 0.000 1.146 195 T CB -0.243 68.572 68.868 -0.090 0.000 0.865 195 T HN 0.269 nan 8.240 nan 0.000 0.435 196 A N 1.683 124.429 122.820 -0.122 0.000 1.902 196 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 196 A C 2.318 179.824 177.584 -0.129 0.000 1.181 196 A CA 1.709 53.700 52.037 -0.076 0.000 0.623 196 A CB -0.615 18.389 19.000 0.006 0.000 0.818 196 A HN 0.388 nan 8.150 nan 0.000 0.443 197 R N -0.463 119.848 120.500 -0.314 0.000 2.083 197 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 197 R C 2.297 178.460 176.300 -0.227 0.000 1.137 197 R CA 1.532 57.351 56.100 -0.468 0.000 0.951 197 R CB -0.373 29.506 30.300 -0.700 0.000 0.851 197 R HN 0.464 nan 8.270 nan 0.000 0.434 198 A N 0.540 123.246 122.820 -0.190 0.000 1.929 198 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 198 A C 2.193 179.702 177.584 -0.126 0.000 1.176 198 A CA 1.181 53.136 52.037 -0.138 0.000 0.628 198 A CB -0.331 18.592 19.000 -0.129 0.000 0.816 198 A HN 0.315 nan 8.150 nan 0.000 0.444 199 M N -0.632 118.880 119.600 -0.147 0.000 2.117 199 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 199 M C 1.891 178.111 176.300 -0.133 0.000 1.065 199 M CA 1.499 56.689 55.300 -0.184 0.000 1.114 199 M CB -0.262 32.191 32.600 -0.244 0.000 1.361 199 M HN 0.255 nan 8.290 nan 0.000 0.408 200 K N -0.181 120.175 120.400 -0.074 0.000 2.504 200 K HA 0.006 4.325 4.320 -0.000 0.000 0.195 200 K C 1.669 178.266 176.600 -0.007 0.000 1.036 200 K CA 0.708 56.984 56.287 -0.018 0.000 0.984 200 K CB 0.014 32.543 32.500 0.048 0.000 0.788 200 K HN 0.426 nan 8.250 nan 0.000 0.488 201 M N -0.127 119.456 119.600 -0.028 0.000 2.388 201 M HA -0.022 4.458 4.480 -0.000 0.000 0.265 201 M C 1.829 178.123 176.300 -0.010 0.000 1.088 201 M CA 1.156 56.447 55.300 -0.015 0.000 1.134 201 M CB 0.051 32.633 32.600 -0.030 0.000 1.384 201 M HN 0.095 nan 8.290 nan 0.000 0.447 202 I N -0.754 119.798 120.570 -0.031 0.000 2.277 202 I HA -0.096 4.074 4.170 -0.000 0.000 0.243 202 I C 0.446 176.577 176.117 0.023 0.000 1.094 202 I CA 0.820 62.115 61.300 -0.007 0.000 1.393 202 I CB 0.200 38.168 38.000 -0.052 0.000 1.078 202 I HN 0.102 nan 8.210 nan 0.000 0.417 203 D N -0.105 120.287 120.400 -0.014 0.000 2.402 203 D HA 0.205 4.845 4.640 -0.000 0.000 0.252 203 D C -2.120 174.186 176.300 0.010 0.000 1.294 203 D CA -1.888 52.117 54.000 0.008 0.000 0.948 203 D CB 1.721 42.525 40.800 0.007 0.000 1.202 203 D HN -0.143 nan 8.370 nan 0.000 0.561 204 P HA -0.042 nan 4.420 nan 0.000 0.233 204 P C 1.180 178.506 177.300 0.044 0.000 1.167 204 P CA 0.577 63.697 63.100 0.033 0.000 0.770 204 P CB 0.270 31.989 31.700 0.032 0.000 0.837 205 S N -0.557 115.175 115.700 0.053 0.000 2.496 205 S HA -0.005 4.465 4.470 -0.000 0.000 0.224 205 S C 1.028 175.688 174.600 0.100 0.000 0.996 205 S CA -0.350 57.891 58.200 0.069 0.000 0.927 205 S CB -1.356 61.885 63.200 0.068 0.000 0.774 205 S HN 0.210 nan 8.310 nan 0.000 0.524 206 I N -0.447 120.190 120.570 0.111 0.000 2.882 206 I HA 0.473 4.643 4.170 -0.000 0.000 0.286 206 I C -0.200 176.022 176.117 0.175 0.000 1.139 206 I CA -0.637 60.771 61.300 0.181 0.000 1.379 206 I CB 0.508 38.612 38.000 0.173 0.000 1.410 206 I HN 0.011 nan 8.210 nan 0.000 0.594 207 E N 4.378 124.732 120.200 0.256 0.000 2.195 207 E HA 0.647 4.997 4.350 -0.000 0.000 0.271 207 E C -1.309 175.485 176.600 0.323 0.000 0.923 207 E CA -0.822 55.730 56.400 0.254 0.000 0.790 207 E CB 2.625 32.528 29.700 0.339 0.000 1.155 207 E HN 0.496 nan 8.360 nan 0.000 0.402 208 L N 1.973 123.351 121.223 0.259 0.000 2.365 208 L HA 0.493 4.832 4.340 -0.000 0.000 0.273 208 L C -0.889 176.167 176.870 0.311 0.000 1.000 208 L CA -1.100 53.903 54.840 0.270 0.000 0.819 208 L CB 1.963 44.123 42.059 0.168 0.000 1.284 208 L HN 0.244 nan 8.230 nan 0.000 0.418 209 V N 2.228 122.336 119.914 0.324 0.000 2.370 209 V HA 0.604 4.724 4.120 -0.000 0.000 0.283 209 V C 0.356 176.610 176.094 0.266 0.000 1.023 209 V CA -0.600 61.890 62.300 0.317 0.000 0.857 209 V CB 1.438 33.418 31.823 0.262 0.000 0.985 209 V HN 0.838 nan 8.190 nan 0.000 0.443 210 A N 3.935 126.905 122.820 0.250 0.000 2.331 210 A HA 0.484 4.804 4.320 -0.000 0.000 0.283 210 A C 0.165 177.962 177.584 0.355 0.000 1.142 210 A CA -0.298 51.921 52.037 0.303 0.000 0.812 210 A CB 0.325 19.453 19.000 0.213 0.000 1.074 210 A HN 0.875 nan 8.150 nan 0.000 0.497 211 C N 2.644 122.233 119.300 0.481 0.000 2.632 211 C HA 0.519 4.979 4.460 -0.000 0.000 0.415 211 C C 1.514 176.751 174.990 0.411 0.000 1.332 211 C CA 0.222 59.407 59.018 0.279 0.000 1.874 211 C CB -0.414 27.328 27.740 0.005 0.000 2.596 211 C HN 1.003 nan 8.230 nan 0.000 0.590 212 G N 2.806 111.709 108.800 0.172 0.000 2.510 212 G HA2 0.454 4.414 3.960 -0.000 0.000 0.280 212 G HA3 0.454 4.414 3.960 -0.000 0.000 0.280 212 G C -0.111 174.645 174.900 -0.241 0.000 1.386 212 G CA -0.283 44.929 45.100 0.187 0.000 1.047 212 G HN 0.753 nan 8.290 nan 0.000 0.527 213 S N -0.899 114.657 115.700 -0.240 0.000 2.584 213 S HA 0.173 4.642 4.470 -0.000 0.000 0.270 213 S C 1.765 176.140 174.600 -0.375 0.000 1.346 213 S CA -0.166 57.762 58.200 -0.453 0.000 1.018 213 S CB 1.462 64.622 63.200 -0.066 0.000 0.899 213 S HN 0.545 nan 8.310 nan 0.000 0.542 214 S N 1.371 116.893 115.700 -0.296 0.000 2.359 214 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 214 S C 0.992 175.601 174.600 0.015 0.000 1.035 214 S CA 1.107 59.286 58.200 -0.034 0.000 1.018 214 S CB -0.213 63.142 63.200 0.257 0.000 0.876 214 S HN 0.913 nan 8.310 nan 0.000 0.448 215 S N 0.115 115.766 115.700 -0.081 0.000 2.638 215 S HA 0.449 4.918 4.470 -0.000 0.000 0.274 215 S C 0.071 174.403 174.600 -0.447 0.000 1.157 215 S CA -0.955 57.109 58.200 -0.227 0.000 0.826 215 S CB 1.673 64.786 63.200 -0.144 0.000 1.139 215 S HN 0.281 nan 8.310 nan 0.000 0.474 216 K N -0.217 119.667 120.400 -0.860 0.000 2.439 216 K HA 0.056 4.376 4.320 -0.000 0.000 0.197 216 K C 0.118 176.436 176.600 -0.469 0.000 1.041 216 K CA 1.050 56.627 56.287 -1.184 0.000 0.970 216 K CB -0.337 31.275 32.500 -1.480 0.000 0.773 216 K HN 0.493 nan 8.250 nan 0.000 0.479 217 D N 0.610 120.844 120.400 -0.278 0.000 2.347 217 D HA 0.013 4.653 4.640 -0.000 0.000 0.213 217 D C 0.374 176.668 176.300 -0.010 0.000 0.985 217 D CA 0.393 54.332 54.000 -0.101 0.000 0.879 217 D CB 0.144 40.891 40.800 -0.088 0.000 0.919 217 D HN 0.195 nan 8.370 nan 0.000 0.526 218 M N 1.308 120.907 119.600 -0.002 0.000 2.252 218 M HA 0.035 4.515 4.480 -0.000 0.000 0.348 218 M C -1.450 174.920 176.300 0.117 0.000 1.334 218 M CA -1.376 53.958 55.300 0.055 0.000 1.071 218 M CB 0.406 33.019 32.600 0.022 0.000 1.763 218 M HN -0.250 nan 8.290 nan 0.000 0.452 219 P HA -0.084 nan 4.420 nan 0.000 0.222 219 P C 1.046 178.431 177.300 0.143 0.000 1.147 219 P CA 1.211 64.379 63.100 0.112 0.000 0.790 219 P CB -0.108 31.642 31.700 0.082 0.000 0.780 220 T N -5.118 109.533 114.554 0.162 0.000 3.129 220 T HA 0.054 4.403 4.350 -0.000 0.000 0.251 220 T C 0.289 175.148 174.700 0.265 0.000 1.117 220 T CA -0.349 61.876 62.100 0.208 0.000 1.034 220 T CB -0.959 68.064 68.868 0.258 0.000 0.968 220 T HN -0.072 nan 8.240 nan 0.000 0.526 221 F N 4.265 124.280 119.950 0.107 0.000 2.412 221 F HA 0.466 4.993 4.527 -0.000 0.000 0.348 221 F C -2.095 173.775 175.800 0.116 0.000 1.102 221 F CA -2.509 55.565 58.000 0.124 0.000 1.196 221 F CB 1.472 40.523 39.000 0.084 0.000 1.144 221 F HN -0.101 nan 8.300 nan 0.000 0.541 222 P HA 0.106 nan 4.420 nan 0.000 0.240 222 P C -0.213 176.977 177.300 -0.182 0.000 1.854 222 P CA 0.135 62.718 63.100 -0.861 0.000 1.081 222 P CB 0.745 31.719 31.700 -1.209 0.000 1.646 223 Q N -1.134 118.680 119.800 0.024 0.000 2.390 223 Q HA -0.011 4.329 4.340 -0.000 0.000 0.216 223 Q C 1.120 177.202 176.000 0.137 0.000 0.916 223 Q CA -0.059 55.787 55.803 0.072 0.000 0.911 223 Q CB -0.093 28.676 28.738 0.051 0.000 1.035 223 Q HN 0.124 nan 8.270 nan 0.000 0.541 224 W N 1.530 122.866 121.300 0.060 0.000 2.453 224 W HA -0.476 4.184 4.660 -0.000 0.000 0.345 224 W C 1.472 178.050 176.519 0.099 0.000 1.558 224 W CA 2.872 60.271 57.345 0.090 0.000 1.461 224 W CB -1.009 28.514 29.460 0.105 0.000 0.937 224 W HN 0.294 nan 8.180 nan 0.000 0.497 225 E N -0.186 120.234 120.200 0.366 0.000 2.070 225 E HA -0.145 4.204 4.350 -0.000 0.000 0.197 225 E C 2.247 178.918 176.600 0.119 0.000 1.004 225 E CA 2.270 58.818 56.400 0.246 0.000 0.805 225 E CB -1.025 28.785 29.700 0.183 0.000 0.744 225 E HN 0.366 nan 8.360 nan 0.000 0.451 226 A N 0.070 122.945 122.820 0.091 0.000 1.877 226 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 226 A C 2.407 180.014 177.584 0.038 0.000 1.186 226 A CA 2.129 54.226 52.037 0.100 0.000 0.620 226 A CB -1.063 18.024 19.000 0.146 0.000 0.822 226 A HN 0.283 nan 8.150 nan 0.000 0.443 227 T N -0.186 114.370 114.554 0.003 0.000 2.674 227 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 227 T C 1.911 176.610 174.700 -0.001 0.000 1.039 227 T CA 1.705 63.780 62.100 -0.042 0.000 1.150 227 T CB -0.557 68.293 68.868 -0.030 0.000 0.864 227 T HN 0.143 nan 8.240 nan 0.000 0.427 228 V N 1.573 121.454 119.914 -0.056 0.000 2.287 228 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 228 V C 2.506 178.633 176.094 0.056 0.000 1.053 228 V CA 1.583 63.865 62.300 -0.029 0.000 1.027 228 V CB -0.712 31.061 31.823 -0.083 0.000 0.646 228 V HN 0.434 nan 8.190 nan 0.000 0.447 229 L N -0.169 121.093 121.223 0.064 0.000 2.141 229 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 229 L C 2.325 179.273 176.870 0.129 0.000 1.094 229 L CA 1.565 56.471 54.840 0.109 0.000 0.763 229 L CB -0.603 41.539 42.059 0.139 0.000 0.908 229 L HN 0.374 nan 8.230 nan 0.000 0.437 230 D N -0.692 119.709 120.400 0.001 0.000 2.178 230 D HA -0.206 4.434 4.640 -0.000 0.000 0.201 230 D C 1.960 178.163 176.300 -0.161 0.000 0.980 230 D CA 1.494 55.410 54.000 -0.139 0.000 0.842 230 D CB 0.103 40.740 40.800 -0.273 0.000 0.948 230 D HN 0.243 nan 8.370 nan 0.000 0.472 231 Y N -0.048 120.236 120.300 -0.026 0.000 2.201 231 Y HA 0.243 4.793 4.550 -0.000 0.000 0.292 231 Y C 2.283 178.203 175.900 0.034 0.000 1.119 231 Y CA 1.200 59.283 58.100 -0.028 0.000 1.127 231 Y CB -0.310 38.094 38.460 -0.093 0.000 1.019 231 Y HN 0.002 nan 8.280 nan 0.000 0.514 232 A N -1.998 120.941 122.820 0.199 0.000 2.348 232 A HA 0.051 4.371 4.320 -0.000 0.000 0.224 232 A C 1.482 179.165 177.584 0.164 0.000 1.227 232 A CA -0.318 51.828 52.037 0.182 0.000 0.885 232 A CB -0.985 18.053 19.000 0.064 0.000 0.933 232 A HN 0.513 nan 8.150 nan 0.000 0.506 233 Y N 1.554 121.858 120.300 0.006 0.000 2.062 233 Y HA -0.333 4.216 4.550 -0.000 0.000 0.276 233 Y C 1.483 177.300 175.900 -0.138 0.000 1.189 233 Y CA 2.621 60.679 58.100 -0.069 0.000 1.130 233 Y CB 0.081 38.478 38.460 -0.105 0.000 0.959 233 Y HN 0.397 nan 8.280 nan 0.000 0.499 234 D N -1.888 118.481 120.400 -0.052 0.000 2.371 234 D HA -0.132 4.508 4.640 -0.000 0.000 0.221 234 D C 0.866 176.788 176.300 -0.630 0.000 0.986 234 D CA 1.184 54.943 54.000 -0.402 0.000 0.899 234 D CB -0.191 40.208 40.800 -0.669 0.000 0.902 234 D HN 0.523 nan 8.370 nan 0.000 0.530 235 Y N -0.686 119.604 120.300 -0.017 0.000 2.432 235 Y HA 0.140 4.690 4.550 -0.000 0.000 0.252 235 Y C 0.862 176.733 175.900 -0.048 0.000 1.097 235 Y CA -0.504 57.578 58.100 -0.031 0.000 1.250 235 Y CB 0.492 38.936 38.460 -0.027 0.000 1.245 235 Y HN -0.227 nan 8.280 nan 0.000 0.522 236 V N -2.754 117.171 119.914 0.018 0.000 2.975 236 V HA 0.546 4.665 4.120 -0.000 0.000 0.318 236 V C -0.081 175.924 176.094 -0.148 0.000 1.077 236 V CA -0.581 61.706 62.300 -0.023 0.000 1.000 236 V CB 2.347 34.169 31.823 -0.001 0.000 1.066 236 V HN -0.003 nan 8.190 nan 0.000 0.452 237 D N -0.429 119.873 120.400 -0.164 0.000 2.469 237 D HA 0.215 4.855 4.640 -0.000 0.000 0.240 237 D C -0.546 175.414 176.300 -0.568 0.000 1.087 237 D CA 0.946 54.701 54.000 -0.410 0.000 0.876 237 D CB 0.697 41.184 40.800 -0.521 0.000 1.160 237 D HN 0.659 nan 8.370 nan 0.000 0.497 238 Y N 0.107 120.438 120.300 0.052 0.000 2.512 238 Y HA 0.492 5.041 4.550 -0.000 0.000 0.348 238 Y C -0.492 175.441 175.900 0.054 0.000 0.990 238 Y CA -1.202 56.941 58.100 0.071 0.000 1.033 238 Y CB 1.980 40.505 38.460 0.107 0.000 1.259 238 Y HN -0.292 nan 8.280 nan 0.000 0.461 239 I N 1.963 122.660 120.570 0.212 0.000 2.525 239 I HA 0.613 4.783 4.170 -0.000 0.000 0.301 239 I C -0.265 175.932 176.117 0.134 0.000 0.992 239 I CA -0.284 61.113 61.300 0.161 0.000 1.162 239 I CB 1.421 39.488 38.000 0.111 0.000 1.332 239 I HN 0.653 nan 8.210 nan 0.000 0.458 240 S N 6.967 122.734 115.700 0.112 0.000 2.565 240 S HA 0.853 5.323 4.470 -0.000 0.000 0.290 240 S C -0.906 173.647 174.600 -0.079 0.000 1.150 240 S CA -0.676 57.554 58.200 0.051 0.000 1.058 240 S CB 1.312 64.593 63.200 0.136 0.000 1.032 240 S HN 0.425 nan 8.310 nan 0.000 0.510 241 L N 2.344 123.433 121.223 -0.224 0.000 2.381 241 L HA 0.557 4.897 4.340 -0.000 0.000 0.268 241 L C -0.273 176.483 176.870 -0.191 0.000 0.997 241 L CA -0.437 54.117 54.840 -0.478 0.000 0.818 241 L CB 1.826 43.066 42.059 -1.364 0.000 1.310 241 L HN 0.830 nan 8.230 nan 0.000 0.416 242 H N 1.714 120.701 119.070 -0.139 0.000 2.589 242 H HA 0.660 5.216 4.556 -0.000 0.000 0.351 242 H C -1.188 174.173 175.328 0.057 0.000 1.074 242 H CA -0.870 55.177 56.048 -0.002 0.000 1.203 242 H CB 2.632 32.410 29.762 0.028 0.000 1.558 242 H HN 0.404 nan 8.280 nan 0.000 0.522 243 Q N 2.778 122.671 119.800 0.156 0.000 2.268 243 Q HA 0.308 4.648 4.340 -0.000 0.000 0.266 243 Q C -2.142 173.617 176.000 -0.401 0.000 1.006 243 Q CA -0.631 55.127 55.803 -0.076 0.000 0.824 243 Q CB 1.333 30.194 28.738 0.205 0.000 1.306 243 Q HN 0.511 nan 8.270 nan 0.000 0.424 244 Y N 2.225 122.440 120.300 -0.142 0.000 2.462 244 Y HA 0.658 5.208 4.550 -0.000 0.000 0.346 244 Y C -1.024 174.702 175.900 -0.291 0.000 0.976 244 Y CA -0.714 57.351 58.100 -0.059 0.000 1.044 244 Y CB 1.680 40.237 38.460 0.162 0.000 1.230 244 Y HN 0.521 nan 8.280 nan 0.000 0.455 245 Y N 0.204 120.718 120.300 0.356 0.000 2.524 245 Y HA 0.805 5.354 4.550 -0.000 0.000 0.344 245 Y C 0.409 176.488 175.900 0.299 0.000 1.012 245 Y CA -1.503 56.742 58.100 0.242 0.000 1.068 245 Y CB 2.438 40.976 38.460 0.131 0.000 1.249 245 Y HN 0.691 nan 8.280 nan 0.000 0.468 246 G N 0.554 109.553 108.800 0.332 0.000 2.660 246 G HA2 0.345 4.305 3.960 -0.000 0.000 0.294 246 G HA3 0.345 4.305 3.960 -0.000 0.000 0.294 246 G C -1.272 173.257 174.900 -0.618 0.000 1.369 246 G CA -0.860 44.074 45.100 -0.277 0.000 0.912 246 G HN 0.468 nan 8.290 nan 0.000 0.479 247 N N -0.390 117.214 118.700 -1.826 0.000 2.598 247 N HA 0.157 4.897 4.740 -0.000 0.000 0.309 247 N C 1.243 176.415 175.510 -0.564 0.000 1.645 247 N CA -0.334 52.025 53.050 -1.153 0.000 0.936 247 N CB 0.529 38.061 38.487 -1.591 0.000 1.323 247 N HN 0.493 nan 8.380 nan 0.000 0.497 248 K N -0.130 120.070 120.400 -0.332 0.000 2.209 248 K HA -0.060 4.259 4.320 -0.000 0.000 0.204 248 K C 0.902 177.485 176.600 -0.028 0.000 1.048 248 K CA 1.139 57.407 56.287 -0.032 0.000 0.940 248 K CB 0.258 32.763 32.500 0.008 0.000 0.729 248 K HN 0.425 nan 8.250 nan 0.000 0.451 249 E N 0.445 120.609 120.200 -0.060 0.000 2.268 249 E HA -0.125 4.224 4.350 -0.000 0.000 0.195 249 E C 0.232 176.824 176.600 -0.013 0.000 0.995 249 E CA 0.121 56.509 56.400 -0.021 0.000 0.836 249 E CB -0.047 29.649 29.700 -0.006 0.000 0.763 249 E HN 0.199 nan 8.360 nan 0.000 0.491 250 N N 1.393 120.066 118.700 -0.044 0.000 2.780 250 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 250 N C -1.462 174.050 175.510 0.002 0.000 1.102 250 N CA 0.741 53.778 53.050 -0.021 0.000 0.697 250 N CB -0.995 37.502 38.487 0.017 0.000 1.028 250 N HN 0.160 nan 8.380 nan 0.000 0.554 251 D N -0.247 120.155 120.400 0.003 0.000 2.458 251 D HA 0.345 4.985 4.640 -0.000 0.000 0.258 251 D C 1.050 177.410 176.300 0.100 0.000 1.134 251 D CA -0.205 53.831 54.000 0.058 0.000 0.915 251 D CB 0.461 41.306 40.800 0.075 0.000 1.028 251 D HN 0.123 nan 8.370 nan 0.000 0.508 252 T N 1.144 115.756 114.554 0.095 0.000 2.720 252 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 252 T C 1.880 176.678 174.700 0.163 0.000 1.037 252 T CA 1.585 63.778 62.100 0.154 0.000 1.144 252 T CB 0.089 69.022 68.868 0.107 0.000 0.864 252 T HN 0.486 nan 8.240 nan 0.000 0.444 253 A N 1.564 124.448 122.820 0.107 0.000 1.883 253 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 253 A C 2.143 179.811 177.584 0.139 0.000 1.186 253 A CA 2.127 54.227 52.037 0.105 0.000 0.624 253 A CB -0.892 18.176 19.000 0.113 0.000 0.822 253 A HN 0.491 nan 8.150 nan 0.000 0.444 254 D N -1.947 118.547 120.400 0.157 0.000 2.183 254 D HA -0.100 4.540 4.640 -0.000 0.000 0.203 254 D C 1.562 177.933 176.300 0.119 0.000 0.969 254 D CA 0.927 55.029 54.000 0.171 0.000 0.842 254 D CB -0.190 40.731 40.800 0.201 0.000 0.957 254 D HN 0.339 nan 8.370 nan 0.000 0.484 255 F N 0.718 120.650 119.950 -0.030 0.000 2.134 255 F HA -0.012 4.515 4.527 -0.000 0.000 0.299 255 F C 1.667 177.385 175.800 -0.136 0.000 1.097 255 F CA 1.182 59.131 58.000 -0.085 0.000 1.264 255 F CB -0.202 38.759 39.000 -0.064 0.000 1.001 255 F HN -0.016 nan 8.300 nan 0.000 0.479 256 L N -0.401 120.733 121.223 -0.148 0.000 2.478 256 L HA 0.030 4.369 4.340 -0.000 0.000 0.223 256 L C 2.368 179.084 176.870 -0.256 0.000 1.140 256 L CA 0.678 55.370 54.840 -0.246 0.000 0.842 256 L CB -0.862 41.152 42.059 -0.075 0.000 0.953 256 L HN 0.202 nan 8.230 nan 0.000 0.452 257 A N -0.207 122.446 122.820 -0.278 0.000 2.208 257 A HA -0.062 4.257 4.320 -0.000 0.000 0.209 257 A C 2.069 179.285 177.584 -0.613 0.000 1.161 257 A CA 0.541 52.322 52.037 -0.425 0.000 0.782 257 A CB -0.165 18.520 19.000 -0.524 0.000 0.816 257 A HN 0.262 nan 8.150 nan 0.000 0.477 258 K N 0.693 120.730 120.400 -0.605 0.000 2.504 258 K HA -0.065 4.255 4.320 -0.000 0.000 0.195 258 K C 1.906 178.131 176.600 -0.625 0.000 1.036 258 K CA 1.059 56.929 56.287 -0.696 0.000 0.984 258 K CB -0.045 31.843 32.500 -1.020 0.000 0.788 258 K HN 0.649 nan 8.250 nan 0.000 0.488 259 S N 0.710 116.154 115.700 -0.427 0.000 2.453 259 S HA -0.108 4.361 4.470 -0.000 0.000 0.231 259 S C 1.216 175.762 174.600 -0.089 0.000 1.005 259 S CA 0.975 59.051 58.200 -0.206 0.000 0.949 259 S CB -0.028 63.078 63.200 -0.156 0.000 0.774 259 S HN 0.151 nan 8.310 nan 0.000 0.510 260 D N 2.226 122.550 120.400 -0.127 0.000 2.144 260 D HA -0.029 4.611 4.640 -0.000 0.000 0.200 260 D C 1.431 177.760 176.300 0.050 0.000 0.978 260 D CA 1.091 55.069 54.000 -0.038 0.000 0.833 260 D CB -0.397 40.358 40.800 -0.075 0.000 0.961 260 D HN 0.389 nan 8.370 nan 0.000 0.470 261 D N 0.032 120.464 120.400 0.054 0.000 2.178 261 D HA -0.097 4.543 4.640 -0.000 0.000 0.202 261 D C 2.125 178.582 176.300 0.261 0.000 0.974 261 D CA 0.218 54.321 54.000 0.171 0.000 0.841 261 D CB -0.164 40.761 40.800 0.209 0.000 0.953 261 D HN 0.151 nan 8.370 nan 0.000 0.478 262 L N 1.105 122.493 121.223 0.275 0.000 2.056 262 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 262 L C 1.730 178.752 176.870 0.255 0.000 1.078 262 L CA 1.761 56.816 54.840 0.358 0.000 0.749 262 L CB -0.438 41.783 42.059 0.270 0.000 0.901 262 L HN -0.159 nan 8.230 nan 0.000 0.433 263 D N -1.001 119.496 120.400 0.162 0.000 2.097 263 D HA -0.219 4.421 4.640 -0.000 0.000 0.195 263 D C 1.654 178.025 176.300 0.119 0.000 0.989 263 D CA 1.490 55.574 54.000 0.141 0.000 0.827 263 D CB 0.059 40.958 40.800 0.165 0.000 0.966 263 D HN 0.387 nan 8.370 nan 0.000 0.456 264 D N -0.601 119.898 120.400 0.165 0.000 2.117 264 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 264 D C 1.720 178.167 176.300 0.245 0.000 0.987 264 D CA 0.490 54.596 54.000 0.177 0.000 0.829 264 D CB -0.475 40.431 40.800 0.177 0.000 0.961 264 D HN 0.251 nan 8.370 nan 0.000 0.460 265 F N 1.541 121.557 119.950 0.110 0.000 2.095 265 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 265 F C 2.111 177.984 175.800 0.121 0.000 1.104 265 F CA 0.933 59.005 58.000 0.121 0.000 1.232 265 F CB -0.662 38.395 39.000 0.095 0.000 0.987 265 F HN -0.120 nan 8.300 nan 0.000 0.475 266 I N 0.196 120.713 120.570 -0.087 0.000 2.179 266 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 266 I C 2.628 178.624 176.117 -0.201 0.000 1.088 266 I CA 1.498 62.634 61.300 -0.274 0.000 1.357 266 I CB -0.492 37.278 38.000 -0.384 0.000 1.051 266 I HN 0.052 nan 8.210 nan 0.000 0.409 267 R N 0.115 120.542 120.500 -0.121 0.000 2.096 267 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 267 R C 2.503 178.823 176.300 0.034 0.000 1.127 267 R CA 1.599 57.688 56.100 -0.020 0.000 0.968 267 R CB -0.392 29.938 30.300 0.051 0.000 0.861 267 R HN 0.272 nan 8.270 nan 0.000 0.440 268 S N 0.246 116.002 115.700 0.094 0.000 2.368 268 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 268 S C 2.045 176.688 174.600 0.071 0.000 1.030 268 S CA 1.194 59.473 58.200 0.132 0.000 0.999 268 S CB -0.053 63.339 63.200 0.321 0.000 0.844 268 S HN 0.089 nan 8.310 nan 0.000 0.459 269 V N 1.806 121.751 119.914 0.051 0.000 2.453 269 V HA -0.096 4.024 4.120 -0.000 0.000 0.247 269 V C 2.002 178.096 176.094 -0.001 0.000 1.048 269 V CA 1.278 63.582 62.300 0.006 0.000 1.049 269 V CB -0.609 31.154 31.823 -0.099 0.000 0.672 269 V HN 0.441 nan 8.190 nan 0.000 0.457 270 I N 0.673 121.236 120.570 -0.012 0.000 2.179 270 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 270 I C 2.690 178.826 176.117 0.032 0.000 1.088 270 I CA 1.567 62.873 61.300 0.011 0.000 1.357 270 I CB -0.598 37.413 38.000 0.019 0.000 1.051 270 I HN 0.289 nan 8.210 nan 0.000 0.409 271 A N 0.389 123.230 122.820 0.036 0.000 1.902 271 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 271 A C 2.382 180.008 177.584 0.070 0.000 1.181 271 A CA 2.489 54.554 52.037 0.046 0.000 0.623 271 A CB -1.115 17.903 19.000 0.030 0.000 0.818 271 A HN 0.404 nan 8.150 nan 0.000 0.443 272 T N -0.740 113.844 114.554 0.051 0.000 2.746 272 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 272 T C 1.918 176.705 174.700 0.146 0.000 1.039 272 T CA 1.552 63.706 62.100 0.090 0.000 1.142 272 T CB -0.709 68.168 68.868 0.016 0.000 0.866 272 T HN 0.583 nan 8.240 nan 0.000 0.444 273 C N 1.731 121.087 119.300 0.092 0.000 2.432 273 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 273 C C 2.620 177.671 174.990 0.102 0.000 1.249 273 C CA 0.475 59.549 59.018 0.092 0.000 1.725 273 C CB -0.978 26.780 27.740 0.031 0.000 2.028 273 C HN 0.552 nan 8.230 nan 0.000 0.477 274 D N -0.698 119.749 120.400 0.077 0.000 2.178 274 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 274 D C 1.671 178.007 176.300 0.061 0.000 0.974 274 D CA 1.064 55.098 54.000 0.056 0.000 0.841 274 D CB -0.516 40.313 40.800 0.050 0.000 0.953 274 D HN 0.682 nan 8.370 nan 0.000 0.478 275 Y N 1.534 121.824 120.300 -0.017 0.000 2.145 275 Y HA -0.174 4.376 4.550 -0.000 0.000 0.286 275 Y C 1.963 177.828 175.900 -0.059 0.000 1.145 275 Y CA 1.240 59.318 58.100 -0.036 0.000 1.148 275 Y CB -0.277 38.163 38.460 -0.034 0.000 0.981 275 Y HN -0.150 nan 8.280 nan 0.000 0.507 276 I N 1.148 121.530 120.570 -0.314 0.000 2.315 276 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 276 I C 2.408 178.260 176.117 -0.441 0.000 1.117 276 I CA 1.488 62.535 61.300 -0.421 0.000 1.404 276 I CB -1.285 36.651 38.000 -0.107 0.000 1.071 276 I HN 0.324 nan 8.210 nan 0.000 0.419 277 K N 1.500 121.742 120.400 -0.262 0.000 2.044 277 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 277 K C 2.171 178.587 176.600 -0.306 0.000 1.049 277 K CA 1.886 57.988 56.287 -0.309 0.000 0.927 277 K CB 0.018 32.489 32.500 -0.049 0.000 0.713 277 K HN 0.252 nan 8.250 nan 0.000 0.443 278 A N 1.276 123.958 122.820 -0.231 0.000 1.930 278 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 278 A C 2.029 179.464 177.584 -0.248 0.000 1.175 278 A CA 1.673 53.595 52.037 -0.191 0.000 0.627 278 A CB -0.405 18.526 19.000 -0.115 0.000 0.815 278 A HN 0.386 nan 8.150 nan 0.000 0.443 279 K N -0.422 119.758 120.400 -0.366 0.000 2.097 279 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 279 K C 1.521 177.929 176.600 -0.319 0.000 1.049 279 K CA 1.345 57.414 56.287 -0.364 0.000 0.933 279 K CB 0.001 32.196 32.500 -0.508 0.000 0.717 279 K HN 0.193 nan 8.250 nan 0.000 0.442 280 K N 0.385 120.545 120.400 -0.400 0.000 2.361 280 K HA 0.025 4.345 4.320 -0.000 0.000 0.196 280 K C 0.137 176.566 176.600 -0.285 0.000 1.039 280 K CA 0.289 56.342 56.287 -0.390 0.000 1.001 280 K CB 0.264 32.377 32.500 -0.645 0.000 0.795 280 K HN 0.086 nan 8.250 nan 0.000 0.495 281 R N 0.624 120.975 120.500 -0.249 0.000 3.422 281 R HA -0.130 4.209 4.340 -0.000 0.000 0.267 281 R C -0.120 176.083 176.300 -0.161 0.000 1.074 281 R CA 0.654 56.651 56.100 -0.172 0.000 0.718 281 R CB -2.560 27.663 30.300 -0.128 0.000 1.157 281 R HN 0.074 nan 8.270 nan 0.000 0.440 282 S N -0.559 115.016 115.700 -0.209 0.000 2.585 282 S HA 0.355 4.825 4.470 -0.000 0.000 0.277 282 S C 1.027 175.587 174.600 -0.066 0.000 1.241 282 S CA -0.794 57.322 58.200 -0.142 0.000 1.041 282 S CB 1.021 64.112 63.200 -0.182 0.000 0.987 282 S HN 0.340 nan 8.310 nan 0.000 0.512 283 K N 1.610 121.992 120.400 -0.030 0.000 2.393 283 K HA 0.137 4.457 4.320 -0.000 0.000 0.193 283 K C 0.420 177.023 176.600 0.005 0.000 1.026 283 K CA 0.178 56.456 56.287 -0.014 0.000 1.064 283 K CB 0.167 32.659 32.500 -0.014 0.000 0.833 283 K HN 0.403 nan 8.250 nan 0.000 0.521 284 K N 1.989 122.410 120.400 0.034 0.000 2.205 284 K HA 0.045 4.365 4.320 -0.000 0.000 0.279 284 K C -0.953 175.645 176.600 -0.003 0.000 1.027 284 K CA -0.348 55.952 56.287 0.021 0.000 0.932 284 K CB 0.790 33.309 32.500 0.031 0.000 1.032 284 K HN -0.124 nan 8.250 nan 0.000 0.466 285 D N 4.149 124.449 120.400 -0.167 0.000 2.225 285 D HA 0.179 4.818 4.640 -0.000 0.000 0.248 285 D C 0.175 176.109 176.300 -0.609 0.000 1.096 285 D CA -0.345 53.443 54.000 -0.353 0.000 0.863 285 D CB 0.992 41.494 40.800 -0.497 0.000 1.156 285 D HN 0.358 nan 8.370 nan 0.000 0.450 286 I N 2.933 123.222 120.570 -0.468 0.000 2.496 286 I HA 0.047 4.217 4.170 -0.000 0.000 0.285 286 I C 0.244 176.102 176.117 -0.431 0.000 1.080 286 I CA -0.117 60.909 61.300 -0.457 0.000 1.404 286 I CB -0.403 37.383 38.000 -0.356 0.000 1.403 286 I HN 0.206 nan 8.210 nan 0.000 0.539 287 Y N 5.621 125.883 120.300 -0.063 0.000 2.432 287 Y HA 0.438 4.987 4.550 -0.000 0.000 0.322 287 Y C 0.089 176.134 175.900 0.241 0.000 1.246 287 Y CA -0.892 57.274 58.100 0.110 0.000 1.268 287 Y CB 0.893 39.465 38.460 0.186 0.000 1.276 287 Y HN 0.264 nan 8.280 nan 0.000 0.499 288 L N 1.251 122.702 121.223 0.380 0.000 2.275 288 L HA 0.371 4.711 4.340 -0.000 0.000 0.288 288 L C 0.026 177.007 176.870 0.185 0.000 1.046 288 L CA -0.058 54.913 54.840 0.217 0.000 0.805 288 L CB 1.523 43.647 42.059 0.108 0.000 1.193 288 L HN 0.552 nan 8.230 nan 0.000 0.426 289 S N 3.654 119.420 115.700 0.110 0.000 2.528 289 S HA 0.358 4.827 4.470 -0.000 0.000 0.303 289 S C -0.315 174.330 174.600 0.075 0.000 1.123 289 S CA -0.469 57.736 58.200 0.009 0.000 1.138 289 S CB -0.209 62.934 63.200 -0.094 0.000 0.984 289 S HN 0.349 nan 8.310 nan 0.000 0.474 290 F N 4.753 124.723 119.950 0.033 0.000 2.659 290 F HA 0.216 4.743 4.527 -0.000 0.000 0.360 290 F C 0.875 176.765 175.800 0.150 0.000 1.218 290 F CA -1.186 56.869 58.000 0.091 0.000 1.317 290 F CB -0.002 39.017 39.000 0.032 0.000 1.697 290 F HN 0.656 nan 8.300 nan 0.000 0.637 291 D N -0.346 120.184 120.400 0.217 0.000 2.324 291 D HA -0.032 4.607 4.640 -0.000 0.000 0.235 291 D C -0.208 176.023 176.300 -0.114 0.000 1.095 291 D CA 0.370 54.405 54.000 0.059 0.000 0.871 291 D CB -0.247 40.525 40.800 -0.048 0.000 0.906 291 D HN 0.428 nan 8.370 nan 0.000 0.522 292 E N 0.477 120.688 120.200 0.017 0.000 2.404 292 E HA 0.245 4.595 4.350 -0.000 0.000 0.298 292 E C -1.407 175.273 176.600 0.133 0.000 0.908 292 E CA -0.820 55.511 56.400 -0.115 0.000 0.808 292 E CB 1.379 30.744 29.700 -0.558 0.000 1.380 292 E HN 0.339 nan 8.360 nan 0.000 0.392 293 W N 3.341 124.614 121.300 -0.044 0.000 3.372 293 W HA 0.732 5.392 4.660 -0.000 0.000 0.315 293 W C -1.409 175.101 176.519 -0.016 0.000 1.223 293 W CA -0.596 56.680 57.345 -0.116 0.000 1.202 293 W CB 1.333 30.690 29.460 -0.172 0.000 1.367 293 W HN 0.435 nan 8.180 nan 0.000 0.531 294 N N 0.375 119.183 118.700 0.180 0.000 4.016 294 N HA 0.205 4.945 4.740 -0.000 0.000 0.227 294 N C -2.128 173.655 175.510 0.455 0.000 1.337 294 N CA -0.486 52.679 53.050 0.192 0.000 0.817 294 N CB 1.833 40.366 38.487 0.077 0.000 1.469 294 N HN 0.266 nan 8.380 nan 0.000 0.448 295 V N 1.553 121.712 119.914 0.409 0.000 2.546 295 V HA 0.522 4.642 4.120 -0.000 0.000 0.284 295 V C -0.640 175.896 176.094 0.738 0.000 1.050 295 V CA 0.051 62.708 62.300 0.595 0.000 0.981 295 V CB 0.843 33.023 31.823 0.595 0.000 0.990 295 V HN 0.635 nan 8.190 nan 0.000 0.474 296 W N 8.572 130.136 121.300 0.439 0.000 3.097 296 W HA 0.537 5.197 4.660 -0.000 0.000 0.325 296 W C -0.943 175.708 176.519 0.220 0.000 1.056 296 W CA -1.501 55.966 57.345 0.202 0.000 1.254 296 W CB 1.059 30.495 29.460 -0.040 0.000 1.202 296 W HN 0.672 nan 8.180 nan 0.000 0.400 297 Y N 1.261 121.625 120.300 0.107 0.000 2.537 297 Y HA 0.241 4.791 4.550 -0.000 0.000 0.302 297 Y C 1.472 177.367 175.900 -0.008 0.000 0.959 297 Y CA 0.590 58.638 58.100 -0.088 0.000 0.971 297 Y CB -0.349 38.041 38.460 -0.117 0.000 1.416 297 Y HN 0.305 nan 8.280 nan 0.000 0.585 298 H N 1.474 120.211 119.070 -0.554 0.000 2.319 298 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 298 H C 1.769 176.973 175.328 -0.206 0.000 1.092 298 H CA 2.044 57.789 56.048 -0.504 0.000 1.302 298 H CB 0.165 29.600 29.762 -0.546 0.000 1.373 298 H HN 0.457 nan 8.280 nan 0.000 0.497 299 S N 0.371 116.081 115.700 0.016 0.000 2.671 299 S HA 0.006 4.475 4.470 -0.000 0.000 0.220 299 S C 1.364 175.994 174.600 0.050 0.000 0.951 299 S CA -0.192 58.014 58.200 0.011 0.000 0.932 299 S CB 0.026 63.211 63.200 -0.025 0.000 0.777 299 S HN 0.295 nan 8.310 nan 0.000 0.508 300 N N 3.738 122.470 118.700 0.053 0.000 2.018 300 N HA -0.102 4.637 4.740 -0.000 0.000 0.196 300 N C 1.300 176.818 175.510 0.012 0.000 1.043 300 N CA 1.720 54.787 53.050 0.028 0.000 0.856 300 N CB -0.738 37.735 38.487 -0.023 0.000 1.042 300 N HN 0.445 nan 8.380 nan 0.000 0.423 301 N N 0.858 119.559 118.700 0.002 0.000 2.120 301 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 301 N C 1.635 177.141 175.510 -0.006 0.000 1.024 301 N CA 0.773 53.820 53.050 -0.004 0.000 0.852 301 N CB -0.445 38.039 38.487 -0.006 0.000 1.003 301 N HN 0.347 nan 8.380 nan 0.000 0.424 302 E N 1.106 121.301 120.200 -0.009 0.000 2.110 302 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 302 E C 0.894 177.488 176.600 -0.010 0.000 0.988 302 E CA 1.227 57.618 56.400 -0.016 0.000 0.804 302 E CB -0.225 29.458 29.700 -0.028 0.000 0.745 302 E HN 0.210 nan 8.360 nan 0.000 0.458 303 D N -0.294 120.110 120.400 0.006 0.000 2.178 303 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 303 D C 1.673 177.984 176.300 0.019 0.000 0.974 303 D CA 1.388 55.400 54.000 0.021 0.000 0.841 303 D CB -0.306 40.534 40.800 0.067 0.000 0.953 303 D HN 0.333 nan 8.370 nan 0.000 0.478 304 A N 0.900 123.726 122.820 0.010 0.000 1.929 304 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 304 A C 2.029 179.608 177.584 -0.008 0.000 1.176 304 A CA 0.992 53.029 52.037 -0.000 0.000 0.628 304 A CB -0.367 18.629 19.000 -0.007 0.000 0.816 304 A HN 0.086 nan 8.150 nan 0.000 0.444 305 N N 0.265 118.959 118.700 -0.010 0.000 2.018 305 N HA -0.149 4.591 4.740 -0.000 0.000 0.196 305 N C 1.491 176.990 175.510 -0.018 0.000 1.043 305 N CA 1.456 54.497 53.050 -0.014 0.000 0.856 305 N CB -0.378 38.100 38.487 -0.015 0.000 1.042 305 N HN 0.373 nan 8.380 nan 0.000 0.423 306 I N 0.398 120.957 120.570 -0.018 0.000 3.083 306 I HA -0.015 4.155 4.170 -0.000 0.000 0.273 306 I C -0.042 176.052 176.117 -0.037 0.000 1.297 306 I CA 0.702 61.987 61.300 -0.024 0.000 1.452 306 I CB -0.177 37.809 38.000 -0.024 0.000 1.078 306 I HN 0.126 nan 8.210 nan 0.000 0.484 307 M N 0.088 119.666 119.600 -0.038 0.000 2.183 307 M HA 0.270 4.750 4.480 -0.000 0.000 0.277 307 M C 0.274 176.540 176.300 -0.057 0.000 0.995 307 M CA -0.039 55.223 55.300 -0.063 0.000 0.969 307 M CB 1.918 34.494 32.600 -0.039 0.000 1.659 307 M HN 0.047 nan 8.290 nan 0.000 0.462 308 Q N 1.202 120.957 119.800 -0.075 0.000 2.451 308 Q HA -0.201 4.139 4.340 -0.000 0.000 0.292 308 Q C -0.508 175.472 176.000 -0.034 0.000 1.390 308 Q CA 1.678 57.452 55.803 -0.048 0.000 0.753 308 Q CB -2.853 25.867 28.738 -0.031 0.000 1.128 308 Q HN 0.965 nan 8.270 nan 0.000 0.402 309 N N -0.673 118.004 118.700 -0.039 0.000 2.026 309 N HA 0.164 4.903 4.740 -0.000 0.000 0.239 309 N C -0.347 175.155 175.510 -0.013 0.000 1.283 309 N CA 0.929 53.965 53.050 -0.023 0.000 0.816 309 N CB 1.037 39.510 38.487 -0.024 0.000 1.263 309 N HN 0.634 nan 8.380 nan 0.000 0.470 310 E N -0.813 119.376 120.200 -0.018 0.000 2.862 310 E HA -0.012 4.338 4.350 -0.000 0.000 0.373 310 E C -2.805 173.752 176.600 -0.072 0.000 0.921 310 E CA -0.175 56.211 56.400 -0.023 0.000 1.226 310 E CB -0.679 29.008 29.700 -0.022 0.000 1.309 310 E HN 0.244 nan 8.360 nan 0.000 0.409 311 P HA 0.260 nan 4.420 nan 0.000 0.288 311 P C -0.244 177.058 177.300 0.003 0.000 1.267 311 P CA 0.187 63.070 63.100 -0.361 0.000 0.815 311 P CB 0.198 31.451 31.700 -0.745 0.000 0.989 312 W N 0.032 121.358 121.300 0.044 0.000 0.989 312 W HA -0.183 4.477 4.660 -0.000 0.000 0.241 312 W C -0.046 176.490 176.519 0.028 0.000 0.997 312 W CA -0.751 56.620 57.345 0.042 0.000 0.376 312 W CB -1.475 28.005 29.460 0.034 0.000 2.006 312 W HN 0.350 nan 8.180 nan 0.000 1.038 313 R N 0.582 121.207 120.500 0.209 0.000 1.901 313 R HA -0.161 4.178 4.340 -0.000 0.000 0.318 313 R C -0.358 176.012 176.300 0.116 0.000 1.210 313 R CA 1.091 57.263 56.100 0.120 0.000 1.206 313 R CB -0.953 29.382 30.300 0.058 0.000 3.325 313 R HN 0.251 nan 8.270 nan 0.000 0.492 314 I N 1.921 122.529 120.570 0.064 0.000 2.342 314 I HA 0.188 4.358 4.170 -0.000 0.000 0.291 314 I C 1.048 177.174 176.117 0.015 0.000 1.010 314 I CA 0.246 61.560 61.300 0.022 0.000 1.308 314 I CB 1.520 39.497 38.000 -0.039 0.000 1.400 314 I HN 0.873 nan 8.210 nan 0.000 0.488 315 A N 6.484 129.322 122.820 0.030 0.000 2.362 315 A HA -0.126 4.194 4.320 -0.000 0.000 0.290 315 A C -2.312 175.269 177.584 -0.004 0.000 1.441 315 A CA -0.396 51.660 52.037 0.033 0.000 0.743 315 A CB -1.887 17.159 19.000 0.075 0.000 1.125 315 A HN 0.482 nan 8.150 nan 0.000 0.378 316 P HA 0.315 nan 4.420 nan 0.000 0.274 316 P C -2.652 174.606 177.300 -0.069 0.000 1.231 316 P CA -1.696 61.385 63.100 -0.031 0.000 0.790 316 P CB 0.088 31.776 31.700 -0.021 0.000 0.951 317 P HA 0.162 nan 4.420 nan 0.000 0.235 317 P C -0.282 176.946 177.300 -0.119 0.000 1.765 317 P CA 0.293 63.337 63.100 -0.093 0.000 1.034 317 P CB -0.241 31.419 31.700 -0.067 0.000 1.984 318 L N 2.242 123.364 121.223 -0.168 0.000 2.357 318 L HA 0.233 4.573 4.340 -0.000 0.000 0.273 318 L C 1.124 177.819 176.870 -0.291 0.000 1.080 318 L CA -0.953 53.763 54.840 -0.206 0.000 0.803 318 L CB 0.483 42.390 42.059 -0.253 0.000 1.174 318 L HN 0.010 nan 8.230 nan 0.000 0.443 319 L N 1.687 122.754 121.223 -0.260 0.000 3.843 319 L HA -0.228 4.111 4.340 -0.000 0.000 0.411 319 L C 0.260 176.928 176.870 -0.337 0.000 1.205 319 L CA 0.850 55.479 54.840 -0.352 0.000 0.945 319 L CB -1.642 40.021 42.059 -0.661 0.000 1.929 319 L HN 0.635 nan 8.230 nan 0.000 0.934 320 E N 0.104 120.165 120.200 -0.232 0.000 2.110 320 E HA 0.143 4.492 4.350 -0.000 0.000 0.300 320 E C 0.096 176.569 176.600 -0.211 0.000 1.278 320 E CA -0.475 55.795 56.400 -0.216 0.000 1.365 320 E CB -0.040 29.566 29.700 -0.156 0.000 1.283 320 E HN 0.301 nan 8.360 nan 0.000 0.490 321 D N 1.681 121.901 120.400 -0.299 0.000 2.458 321 D HA 0.029 4.668 4.640 -0.000 0.000 0.243 321 D C -0.055 175.962 176.300 -0.471 0.000 1.146 321 D CA 0.220 53.979 54.000 -0.401 0.000 0.877 321 D CB 0.709 41.115 40.800 -0.657 0.000 1.176 321 D HN 0.250 nan 8.370 nan 0.000 0.461 322 I N 3.903 124.300 120.570 -0.289 0.000 2.306 322 I HA 0.125 4.295 4.170 -0.000 0.000 0.288 322 I C -0.234 175.817 176.117 -0.110 0.000 1.036 322 I CA -0.645 60.565 61.300 -0.150 0.000 1.221 322 I CB -0.396 37.559 38.000 -0.075 0.000 1.385 322 I HN 0.213 nan 8.210 nan 0.000 0.472 323 Y N 4.403 124.816 120.300 0.187 0.000 2.359 323 Y HA 0.211 4.761 4.550 -0.000 0.000 0.330 323 Y C 1.640 177.672 175.900 0.220 0.000 1.143 323 Y CA -0.188 58.061 58.100 0.248 0.000 1.318 323 Y CB 0.798 39.367 38.460 0.182 0.000 1.234 323 Y HN 0.600 nan 8.280 nan 0.000 0.522 324 T N -0.822 114.004 114.554 0.452 0.000 2.849 324 T HA 0.143 4.493 4.350 -0.000 0.000 0.276 324 T C 0.782 175.688 174.700 0.344 0.000 0.971 324 T CA -0.529 61.762 62.100 0.319 0.000 0.949 324 T CB 0.524 69.567 68.868 0.291 0.000 1.093 324 T HN 0.555 nan 8.240 nan 0.000 0.545 325 F N 1.709 121.754 119.950 0.158 0.000 2.146 325 F HA -0.007 4.519 4.527 -0.000 0.000 0.298 325 F C 2.451 178.373 175.800 0.204 0.000 1.096 325 F CA 1.805 59.897 58.000 0.155 0.000 1.275 325 F CB -0.600 38.461 39.000 0.101 0.000 1.008 325 F HN 0.867 nan 8.300 nan 0.000 0.480 326 E N -0.647 119.581 120.200 0.047 0.000 2.153 326 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 326 E C 1.506 178.233 176.600 0.212 0.000 0.988 326 E CA 1.492 57.913 56.400 0.036 0.000 0.811 326 E CB -0.700 29.134 29.700 0.225 0.000 0.746 326 E HN 0.358 nan 8.360 nan 0.000 0.466 327 D N 1.625 122.226 120.400 0.335 0.000 2.117 327 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 327 D C 2.071 178.446 176.300 0.125 0.000 0.987 327 D CA 1.727 55.968 54.000 0.401 0.000 0.829 327 D CB -0.365 40.744 40.800 0.516 0.000 0.961 327 D HN 0.363 nan 8.370 nan 0.000 0.460 328 A N 0.653 123.488 122.820 0.026 0.000 1.972 328 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 328 A C 2.385 179.874 177.584 -0.158 0.000 1.169 328 A CA 0.831 52.822 52.037 -0.075 0.000 0.635 328 A CB -0.688 18.311 19.000 -0.001 0.000 0.810 328 A HN 0.199 nan 8.150 nan 0.000 0.446 329 L N -1.320 119.770 121.223 -0.221 0.000 2.056 329 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 329 L C 2.537 179.353 176.870 -0.090 0.000 1.078 329 L CA 1.090 55.831 54.840 -0.165 0.000 0.749 329 L CB -0.477 41.433 42.059 -0.249 0.000 0.901 329 L HN 0.448 nan 8.230 nan 0.000 0.433 330 L N -0.633 120.518 121.223 -0.120 0.000 2.056 330 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 330 L C 2.370 179.205 176.870 -0.059 0.000 1.078 330 L CA 1.463 56.192 54.840 -0.185 0.000 0.749 330 L CB -0.310 41.483 42.059 -0.443 0.000 0.901 330 L HN -0.098 nan 8.230 nan 0.000 0.433 331 V N 0.144 120.062 119.914 0.006 0.000 2.332 331 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 331 V C 2.596 178.697 176.094 0.012 0.000 1.055 331 V CA 1.889 64.260 62.300 0.119 0.000 1.038 331 V CB -1.604 30.259 31.823 0.067 0.000 0.651 331 V HN 0.645 nan 8.190 nan 0.000 0.450 332 G N -0.479 108.240 108.800 -0.135 0.000 2.418 332 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.217 332 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.217 332 G C 1.598 176.592 174.900 0.156 0.000 1.158 332 G CA 0.980 45.975 45.100 -0.175 0.000 0.771 332 G HN 0.471 nan 8.290 nan 0.000 0.545 333 L N -0.237 121.038 121.223 0.086 0.000 2.046 333 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 333 L C 3.093 179.949 176.870 -0.024 0.000 1.077 333 L CA 1.024 55.892 54.840 0.047 0.000 0.747 333 L CB -0.262 41.774 42.059 -0.038 0.000 0.896 333 L HN 0.227 nan 8.230 nan 0.000 0.432 334 M N -0.927 118.621 119.600 -0.086 0.000 2.117 334 M HA -0.219 4.260 4.480 -0.000 0.000 0.262 334 M C 2.267 178.332 176.300 -0.392 0.000 1.065 334 M CA 1.718 56.879 55.300 -0.232 0.000 1.114 334 M CB -0.333 32.134 32.600 -0.222 0.000 1.361 334 M HN 0.210 nan 8.290 nan 0.000 0.408 335 L N -0.098 120.950 121.223 -0.292 0.000 2.046 335 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 335 L C 2.320 179.187 176.870 -0.006 0.000 1.077 335 L CA 1.180 55.898 54.840 -0.202 0.000 0.747 335 L CB -0.494 41.565 42.059 -0.001 0.000 0.896 335 L HN 0.274 nan 8.230 nan 0.000 0.432 336 I N -0.703 119.934 120.570 0.112 0.000 2.179 336 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 336 I C 2.465 178.593 176.117 0.018 0.000 1.088 336 I CA 1.647 63.028 61.300 0.134 0.000 1.357 336 I CB -0.436 37.665 38.000 0.169 0.000 1.051 336 I HN 0.270 nan 8.210 nan 0.000 0.409 337 T N 1.225 115.763 114.554 -0.026 0.000 2.746 337 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 337 T C 1.940 176.646 174.700 0.010 0.000 1.039 337 T CA 1.230 63.328 62.100 -0.003 0.000 1.142 337 T CB -0.367 68.491 68.868 -0.017 0.000 0.866 337 T HN 0.234 nan 8.240 nan 0.000 0.444 338 L N 0.082 121.213 121.223 -0.153 0.000 2.042 338 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 338 L C 2.703 179.520 176.870 -0.088 0.000 1.076 338 L CA 1.406 56.133 54.840 -0.189 0.000 0.749 338 L CB -0.543 41.258 42.059 -0.430 0.000 0.893 338 L HN 0.297 nan 8.230 nan 0.000 0.432 339 M N -0.692 118.860 119.600 -0.080 0.000 2.159 339 M HA -0.202 4.278 4.480 -0.000 0.000 0.263 339 M C 2.202 178.459 176.300 -0.071 0.000 1.063 339 M CA 1.643 56.908 55.300 -0.058 0.000 1.110 339 M CB -0.210 32.384 32.600 -0.010 0.000 1.374 339 M HN 0.079 nan 8.290 nan 0.000 0.411 340 K N -0.676 119.665 120.400 -0.099 0.000 2.209 340 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 340 K C 0.750 177.147 176.600 -0.339 0.000 1.048 340 K CA 0.814 56.964 56.287 -0.229 0.000 0.940 340 K CB -0.123 32.191 32.500 -0.310 0.000 0.729 340 K HN 0.496 nan 8.250 nan 0.000 0.451 341 H N -0.974 118.083 119.070 -0.023 0.000 2.472 341 H HA 0.250 4.805 4.556 -0.000 0.000 0.287 341 H C 0.924 176.256 175.328 0.008 0.000 1.112 341 H CA -0.031 56.019 56.048 0.004 0.000 1.021 341 H CB 0.651 30.422 29.762 0.014 0.000 1.635 341 H HN 0.142 nan 8.280 nan 0.000 0.559 342 A N 1.072 123.919 122.820 0.045 0.000 2.172 342 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 342 A C 2.016 179.631 177.584 0.051 0.000 1.154 342 A CA 1.189 53.237 52.037 0.018 0.000 0.701 342 A CB -0.079 18.903 19.000 -0.029 0.000 0.789 342 A HN 0.434 nan 8.150 nan 0.000 0.465 343 D N -0.807 119.644 120.400 0.085 0.000 2.224 343 D HA -0.132 4.507 4.640 -0.000 0.000 0.205 343 D C 1.686 178.119 176.300 0.222 0.000 0.965 343 D CA 0.813 54.887 54.000 0.123 0.000 0.852 343 D CB -0.204 40.663 40.800 0.112 0.000 0.947 343 D HN 0.314 nan 8.370 nan 0.000 0.494 344 R N -0.072 120.568 120.500 0.233 0.000 2.225 344 R HA 0.347 4.687 4.340 -0.000 0.000 0.194 344 R C 0.807 177.290 176.300 0.306 0.000 0.949 344 R CA -0.175 56.117 56.100 0.321 0.000 1.088 344 R CB 0.354 30.775 30.300 0.201 0.000 1.106 344 R HN 0.227 nan 8.270 nan 0.000 0.566 345 I N 2.919 123.604 120.570 0.192 0.000 2.363 345 I HA 0.057 4.227 4.170 -0.000 0.000 0.292 345 I C 1.055 177.214 176.117 0.071 0.000 1.075 345 I CA 0.173 61.557 61.300 0.140 0.000 1.333 345 I CB 0.735 38.797 38.000 0.104 0.000 1.415 345 I HN -0.228 nan 8.210 nan 0.000 0.502 346 K N 6.115 126.557 120.400 0.071 0.000 2.399 346 K HA 0.439 4.759 4.320 -0.000 0.000 0.196 346 K C 0.193 176.741 176.600 -0.086 0.000 1.103 346 K CA 0.485 56.762 56.287 -0.016 0.000 0.986 346 K CB 1.037 33.546 32.500 0.014 0.000 0.952 346 K HN 0.474 nan 8.250 nan 0.000 0.541 347 I N 0.623 121.124 120.570 -0.115 0.000 2.582 347 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 347 I C -1.031 175.086 176.117 -0.000 0.000 1.066 347 I CA -1.097 60.129 61.300 -0.123 0.000 1.053 347 I CB 2.298 40.132 38.000 -0.278 0.000 1.241 347 I HN -0.174 nan 8.210 nan 0.000 0.421 348 A N 4.296 127.156 122.820 0.067 0.000 2.520 348 A HA 0.793 5.113 4.320 -0.000 0.000 0.298 348 A C -1.531 176.256 177.584 0.338 0.000 1.051 348 A CA -0.433 51.747 52.037 0.238 0.000 0.690 348 A CB 1.640 20.733 19.000 0.155 0.000 1.281 348 A HN 0.737 nan 8.150 nan 0.000 0.402 349 C N 1.973 121.521 119.300 0.414 0.000 2.346 349 C HA 0.556 5.016 4.460 -0.000 0.000 0.326 349 C C -0.071 174.903 174.990 -0.026 0.000 1.224 349 C CA -0.521 58.641 59.018 0.240 0.000 1.408 349 C CB 0.336 28.147 27.740 0.118 0.000 2.089 349 C HN 0.905 nan 8.230 nan 0.000 0.456 350 L N 3.919 124.996 121.223 -0.242 0.000 2.477 350 L HA 0.493 4.833 4.340 -0.000 0.000 0.272 350 L C 0.474 177.099 176.870 -0.407 0.000 1.157 350 L CA 0.566 54.893 54.840 -0.855 0.000 0.889 350 L CB 0.324 41.916 42.059 -0.778 0.000 1.158 350 L HN 0.813 nan 8.230 nan 0.000 0.473 351 A N 6.345 128.974 122.820 -0.318 0.000 2.253 351 A HA 0.631 4.950 4.320 -0.000 0.000 0.316 351 A C -0.203 177.291 177.584 -0.150 0.000 1.327 351 A CA -0.471 51.556 52.037 -0.016 0.000 0.917 351 A CB 0.340 19.520 19.000 0.300 0.000 1.162 351 A HN 0.876 nan 8.150 nan 0.000 0.535 352 Q N 0.901 120.540 119.800 -0.269 0.000 3.274 352 Q HA 0.385 4.725 4.340 -0.000 0.000 0.303 352 Q C 0.175 175.978 176.000 -0.328 0.000 1.005 352 Q CA -1.008 54.598 55.803 -0.329 0.000 0.831 352 Q CB 0.534 28.952 28.738 -0.534 0.000 1.538 352 Q HN 0.533 nan 8.270 nan 0.000 0.481 353 L N 0.251 121.288 121.223 -0.310 0.000 2.341 353 L HA 0.264 4.604 4.340 -0.000 0.000 0.214 353 L C -0.107 176.617 176.870 -0.242 0.000 1.115 353 L CA 1.326 56.014 54.840 -0.252 0.000 0.820 353 L CB 0.499 42.482 42.059 -0.126 0.000 0.944 353 L HN 0.412 nan 8.230 nan 0.000 0.452 354 I N -0.045 120.364 120.570 -0.268 0.000 2.552 354 I HA 0.008 4.178 4.170 -0.000 0.000 0.247 354 I C 0.065 176.002 176.117 -0.299 0.000 1.430 354 I CA -0.227 60.918 61.300 -0.258 0.000 1.353 354 I CB 0.275 38.132 38.000 -0.238 0.000 1.733 354 I HN 0.004 nan 8.210 nan 0.000 0.402 355 N N 1.550 120.075 118.700 -0.292 0.000 1.978 355 N HA -0.191 4.548 4.740 -0.000 0.000 0.217 355 N C 0.477 175.801 175.510 -0.309 0.000 0.677 355 N CA 1.869 54.745 53.050 -0.289 0.000 4.021 355 N CB -0.612 37.721 38.487 -0.256 0.000 0.740 355 N HN 0.377 nan 8.380 nan 0.000 0.276 356 V N 4.292 123.988 119.914 -0.363 0.000 2.439 356 V HA 0.160 4.280 4.120 -0.000 0.000 0.271 356 V C 1.277 177.121 176.094 -0.417 0.000 1.040 356 V CA 0.293 62.328 62.300 -0.441 0.000 1.002 356 V CB -0.373 31.123 31.823 -0.546 0.000 1.000 356 V HN 0.404 nan 8.190 nan 0.000 0.477 357 I N 2.930 123.257 120.570 -0.406 0.000 3.088 357 I HA -0.214 3.956 4.170 -0.000 0.000 0.126 357 I C 0.209 176.292 176.117 -0.058 0.000 0.929 357 I CA 0.749 61.909 61.300 -0.234 0.000 2.771 357 I CB -1.256 36.501 38.000 -0.406 0.000 0.874 357 I HN 0.613 nan 8.210 nan 0.000 0.349 358 A N 5.423 128.245 122.820 0.004 0.000 2.413 358 A HA 0.922 5.242 4.320 -0.000 0.000 0.307 358 A C -1.742 175.791 177.584 -0.086 0.000 1.087 358 A CA -1.303 50.655 52.037 -0.131 0.000 0.750 358 A CB 1.547 20.404 19.000 -0.238 0.000 1.296 358 A HN 0.340 nan 8.150 nan 0.000 0.423 359 P HA 0.120 nan 4.420 nan 0.000 0.231 359 P C -0.052 177.185 177.300 -0.106 0.000 1.168 359 P CA 0.880 63.885 63.100 -0.159 0.000 0.779 359 P CB 0.172 31.693 31.700 -0.298 0.000 0.844 360 I N 0.100 120.550 120.570 -0.199 0.000 2.389 360 I HA 0.282 4.451 4.170 -0.000 0.000 0.288 360 I C -0.570 175.299 176.117 -0.414 0.000 0.999 360 I CA -1.001 60.145 61.300 -0.256 0.000 1.129 360 I CB 2.666 40.589 38.000 -0.129 0.000 1.288 360 I HN -0.382 nan 8.210 nan 0.000 0.444 361 V N 4.288 123.789 119.914 -0.689 0.000 2.531 361 V HA 0.449 4.569 4.120 -0.000 0.000 0.301 361 V C 0.098 175.847 176.094 -0.575 0.000 1.034 361 V CA -0.602 61.252 62.300 -0.743 0.000 0.865 361 V CB 2.198 33.311 31.823 -1.182 0.000 0.995 361 V HN 0.833 nan 8.190 nan 0.000 0.424 362 T N 0.294 114.689 114.554 -0.264 0.000 2.875 362 T HA 0.450 4.800 4.350 -0.000 0.000 0.284 362 T C 0.711 175.419 174.700 0.013 0.000 0.995 362 T CA -0.555 61.494 62.100 -0.085 0.000 1.060 362 T CB 2.146 70.974 68.868 -0.066 0.000 0.967 362 T HN 0.497 nan 8.240 nan 0.000 0.476 363 E N 1.564 121.838 120.200 0.123 0.000 1.995 363 E HA -0.005 4.345 4.350 -0.000 0.000 0.207 363 E C 0.836 177.471 176.600 0.057 0.000 1.016 363 E CA 1.159 57.647 56.400 0.146 0.000 0.865 363 E CB -0.011 29.760 29.700 0.119 0.000 0.797 363 E HN 0.759 nan 8.360 nan 0.000 0.491 364 R N -1.361 119.155 120.500 0.027 0.000 3.288 364 R HA -0.035 4.305 4.340 -0.000 0.000 0.284 364 R C -1.426 174.873 176.300 -0.001 0.000 0.967 364 R CA -0.144 55.957 56.100 0.002 0.000 0.836 364 R CB -0.101 30.198 30.300 -0.001 0.000 1.344 364 R HN 0.220 nan 8.270 nan 0.000 0.534 365 N N 0.707 119.403 118.700 -0.007 0.000 3.046 365 N HA -0.205 4.535 4.740 -0.000 0.000 0.301 365 N C -0.090 175.414 175.510 -0.009 0.000 1.069 365 N CA 1.489 54.534 53.050 -0.009 0.000 0.855 365 N CB -0.666 37.815 38.487 -0.009 0.000 0.940 365 N HN 0.694 nan 8.380 nan 0.000 0.623 366 G N -1.677 107.118 108.800 -0.009 0.000 3.137 366 G HA2 0.738 4.698 3.960 -0.000 0.000 0.196 366 G HA3 0.738 4.698 3.960 -0.000 0.000 0.196 366 G C 0.247 175.144 174.900 -0.004 0.000 1.135 366 G CA -0.078 45.021 45.100 -0.002 0.000 0.803 366 G HN 0.497 nan 8.290 nan 0.000 0.619 367 G N -1.243 107.561 108.800 0.007 0.000 3.306 367 G HA2 0.548 4.508 3.960 -0.000 0.000 0.202 367 G HA3 0.548 4.508 3.960 -0.000 0.000 0.202 367 G C 0.856 175.787 174.900 0.051 0.000 1.673 367 G CA 1.233 46.349 45.100 0.026 0.000 0.776 367 G HN 1.390 nan 8.290 nan 0.000 0.740 368 A N -1.745 121.132 122.820 0.095 0.000 1.964 368 A HA 0.772 5.092 4.320 -0.000 0.000 0.198 368 A C 0.869 178.514 177.584 0.101 0.000 1.599 368 A CA 1.484 53.573 52.037 0.087 0.000 0.968 368 A CB -0.148 18.901 19.000 0.082 0.000 1.029 368 A HN 2.529 nan 8.150 nan 0.000 0.508 369 A N -1.822 121.115 122.820 0.195 0.000 2.435 369 A HA 0.361 4.681 4.320 -0.000 0.000 0.686 369 A C -0.485 177.217 177.584 0.197 0.000 0.138 369 A CA 0.148 52.243 52.037 0.097 0.000 0.024 369 A CB -1.561 17.433 19.000 -0.011 0.000 3.974 369 A HN 2.210 nan 8.150 nan 0.000 0.548 370 W N 0.390 121.632 121.300 -0.095 0.000 3.338 370 W HA 0.620 5.279 4.660 -0.000 0.000 0.299 370 W C -1.079 175.339 176.519 -0.167 0.000 1.226 370 W CA -0.959 56.309 57.345 -0.128 0.000 1.183 370 W CB 0.375 29.781 29.460 -0.090 0.000 1.360 370 W HN 1.071 nan 8.180 nan 0.000 0.569 371 R N 2.297 122.775 120.500 -0.037 0.000 2.368 371 R HA 0.333 4.672 4.340 -0.000 0.000 0.302 371 R C 0.512 176.827 176.300 0.024 0.000 1.002 371 R CA -0.767 55.146 56.100 -0.310 0.000 0.929 371 R CB 2.030 31.793 30.300 -0.895 0.000 1.073 371 R HN 0.339 nan 8.270 nan 0.000 0.464 372 Q N 0.422 120.195 119.800 -0.046 0.000 2.316 372 Q HA 0.043 4.382 4.340 -0.000 0.000 0.215 372 Q C 1.342 177.453 176.000 0.186 0.000 1.020 372 Q CA 0.156 56.059 55.803 0.167 0.000 0.970 372 Q CB 0.987 29.814 28.738 0.148 0.000 1.187 372 Q HN 0.759 nan 8.270 nan 0.000 0.546 373 T N -2.214 112.502 114.554 0.271 0.000 2.759 373 T HA -0.174 4.175 4.350 -0.000 0.000 0.269 373 T C 1.791 176.589 174.700 0.163 0.000 1.042 373 T CA 1.842 64.107 62.100 0.276 0.000 1.140 373 T CB -0.525 68.531 68.868 0.314 0.000 0.864 373 T HN 0.680 nan 8.240 nan 0.000 0.455 374 I N -2.062 118.524 120.570 0.026 0.000 3.001 374 I HA 0.191 4.361 4.170 -0.000 0.000 0.268 374 I C 2.141 178.188 176.117 -0.116 0.000 1.267 374 I CA 0.376 61.599 61.300 -0.128 0.000 1.472 374 I CB -0.836 36.923 38.000 -0.401 0.000 1.089 374 I HN 0.063 nan 8.210 nan 0.000 0.468 375 F N 1.877 121.669 119.950 -0.263 0.000 2.095 375 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 375 F C 2.038 177.639 175.800 -0.332 0.000 1.104 375 F CA 1.801 59.573 58.000 -0.379 0.000 1.232 375 F CB -0.397 38.260 39.000 -0.572 0.000 0.987 375 F HN 0.007 nan 8.300 nan 0.000 0.475 376 Y N -0.057 120.337 120.300 0.156 0.000 2.220 376 Y HA 0.013 4.563 4.550 -0.000 0.000 0.291 376 Y C -0.503 175.162 175.900 -0.392 0.000 1.129 376 Y CA 0.701 58.758 58.100 -0.070 0.000 1.161 376 Y CB -2.379 36.087 38.460 0.010 0.000 0.997 376 Y HN 0.106 nan 8.280 nan 0.000 0.522 377 P HA -0.198 nan 4.420 nan 0.000 0.216 377 P C 1.552 178.575 177.300 -0.462 0.000 1.150 377 P CA 1.470 64.009 63.100 -0.934 0.000 0.837 377 P CB -0.218 30.826 31.700 -1.093 0.000 0.786 378 F N -0.482 119.255 119.950 -0.355 0.000 2.075 378 F HA -0.145 4.382 4.527 -0.000 0.000 0.297 378 F C 2.395 178.044 175.800 -0.251 0.000 1.113 378 F CA 1.512 59.382 58.000 -0.217 0.000 1.218 378 F CB -0.710 38.135 39.000 -0.259 0.000 0.984 378 F HN -0.229 nan 8.300 nan 0.000 0.472 379 M N -0.539 119.017 119.600 -0.073 0.000 2.108 379 M HA -0.283 4.197 4.480 -0.000 0.000 0.261 379 M C 2.353 178.593 176.300 -0.100 0.000 1.066 379 M CA 1.875 57.093 55.300 -0.136 0.000 1.107 379 M CB -0.651 31.872 32.600 -0.128 0.000 1.356 379 M HN 0.219 nan 8.290 nan 0.000 0.406 380 H N -0.161 118.943 119.070 0.056 0.000 2.321 380 H HA -0.032 4.523 4.556 -0.000 0.000 0.300 380 H C 2.149 177.498 175.328 0.036 0.000 1.087 380 H CA 1.786 57.917 56.048 0.139 0.000 1.319 380 H CB -0.848 29.143 29.762 0.382 0.000 1.379 380 H HN 0.517 nan 8.280 nan 0.000 0.501 381 A N 0.139 123.005 122.820 0.076 0.000 1.877 381 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 381 A C 2.759 180.048 177.584 -0.492 0.000 1.186 381 A CA 2.043 54.152 52.037 0.120 0.000 0.620 381 A CB -0.835 18.242 19.000 0.129 0.000 0.822 381 A HN 0.409 nan 8.150 nan 0.000 0.443 382 S N -0.946 114.250 115.700 -0.840 0.000 2.383 382 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 382 S C 2.080 176.329 174.600 -0.586 0.000 1.026 382 S CA 1.831 59.343 58.200 -1.147 0.000 0.981 382 S CB -0.253 62.615 63.200 -0.553 0.000 0.818 382 S HN 0.605 nan 8.310 nan 0.000 0.472 383 K N -1.019 119.141 120.400 -0.399 0.000 2.067 383 K HA 0.005 4.325 4.320 -0.000 0.000 0.203 383 K C 1.094 177.486 176.600 -0.347 0.000 1.048 383 K CA 1.176 57.204 56.287 -0.432 0.000 0.954 383 K CB -0.135 31.963 32.500 -0.669 0.000 0.737 383 K HN 0.469 nan 8.250 nan 0.000 0.444 384 Y N -0.940 119.429 120.300 0.116 0.000 2.458 384 Y HA 0.277 4.827 4.550 -0.000 0.000 0.256 384 Y C 1.401 177.407 175.900 0.177 0.000 1.159 384 Y CA -0.003 58.209 58.100 0.187 0.000 1.261 384 Y CB 0.720 39.356 38.460 0.294 0.000 1.119 384 Y HN 0.070 nan 8.280 nan 0.000 0.524 385 G N 0.991 109.938 108.800 0.245 0.000 3.678 385 G HA2 0.145 4.105 3.960 -0.000 0.000 0.287 385 G HA3 0.145 4.105 3.960 -0.000 0.000 0.287 385 G C 0.171 175.182 174.900 0.185 0.000 1.280 385 G CA -0.419 44.787 45.100 0.177 0.000 1.118 385 G HN -0.105 nan 8.290 nan 0.000 0.563 386 R N 0.625 121.189 120.500 0.107 0.000 2.265 386 R HA 0.700 5.040 4.340 -0.000 0.000 0.328 386 R C 0.403 176.726 176.300 0.037 0.000 0.969 386 R CA 0.252 56.408 56.100 0.094 0.000 0.832 386 R CB 1.369 31.705 30.300 0.059 0.000 1.139 386 R HN 0.377 nan 8.270 nan 0.000 0.457 387 G N 2.387 111.200 108.800 0.021 0.000 2.384 387 G HA2 0.027 3.987 3.960 -0.000 0.000 0.113 387 G HA3 0.027 3.987 3.960 -0.000 0.000 0.113 387 G C -1.308 173.581 174.900 -0.019 0.000 1.224 387 G CA -0.870 44.212 45.100 -0.028 0.000 1.126 387 G HN 0.361 nan 8.290 nan 0.000 0.461 388 I N 1.437 121.996 120.570 -0.018 0.000 2.389 388 I HA 0.462 4.632 4.170 -0.000 0.000 0.288 388 I C 0.197 176.333 176.117 0.032 0.000 0.999 388 I CA -1.028 60.283 61.300 0.018 0.000 1.129 388 I CB 1.978 40.006 38.000 0.046 0.000 1.288 388 I HN 0.284 nan 8.210 nan 0.000 0.444 389 V N 7.104 127.023 119.914 0.009 0.000 2.572 389 V HA 0.190 4.310 4.120 -0.000 0.000 0.291 389 V C 0.364 176.463 176.094 0.008 0.000 1.039 389 V CA -0.182 62.109 62.300 -0.015 0.000 1.055 389 V CB 0.576 32.377 31.823 -0.037 0.000 0.969 389 V HN 0.455 nan 8.190 nan 0.000 0.482 390 L N 3.594 124.813 121.223 -0.007 0.000 2.334 390 L HA 0.445 4.785 4.340 -0.000 0.000 0.275 390 L C 0.388 177.221 176.870 -0.062 0.000 1.036 390 L CA -0.810 54.032 54.840 0.003 0.000 0.807 390 L CB 1.114 43.177 42.059 0.007 0.000 1.231 390 L HN 0.504 nan 8.230 nan 0.000 0.438 391 Q N 3.693 123.435 119.800 -0.096 0.000 2.239 391 Q HA 0.057 4.397 4.340 -0.000 0.000 0.286 391 Q C -2.068 173.786 176.000 -0.243 0.000 1.102 391 Q CA -1.085 54.580 55.803 -0.230 0.000 0.936 391 Q CB 0.682 29.119 28.738 -0.501 0.000 1.127 391 Q HN 0.236 nan 8.270 nan 0.000 0.380 392 P HA 0.011 nan 4.420 nan 0.000 0.244 392 P C -0.162 177.045 177.300 -0.155 0.000 1.769 392 P CA -0.063 62.950 63.100 -0.145 0.000 1.102 392 P CB 0.045 31.679 31.700 -0.110 0.000 1.937 393 V N 5.267 125.065 119.914 -0.195 0.000 2.470 393 V HA 0.354 4.473 4.120 -0.000 0.000 0.276 393 V C -0.213 175.822 176.094 -0.098 0.000 1.040 393 V CA -0.273 61.928 62.300 -0.165 0.000 1.008 393 V CB -0.066 31.627 31.823 -0.216 0.000 0.990 393 V HN 0.352 nan 8.190 nan 0.000 0.477 394 I N 5.778 126.306 120.570 -0.071 0.000 2.722 394 I HA 0.502 4.671 4.170 -0.000 0.000 0.292 394 I C -1.238 174.860 176.117 -0.031 0.000 1.267 394 I CA -0.672 60.600 61.300 -0.047 0.000 1.036 394 I CB 2.165 40.137 38.000 -0.047 0.000 1.281 394 I HN 0.771 nan 8.210 nan 0.000 0.423 395 N N 4.249 122.937 118.700 -0.019 0.000 2.577 395 N HA 0.369 5.109 4.740 -0.000 0.000 0.275 395 N C -1.650 173.860 175.510 -0.000 0.000 1.091 395 N CA -0.222 52.822 53.050 -0.009 0.000 0.843 395 N CB 1.485 39.968 38.487 -0.007 0.000 1.295 395 N HN 0.493 nan 8.380 nan 0.000 0.530 396 S N 2.950 118.653 115.700 0.005 0.000 2.532 396 S HA 0.671 5.141 4.470 -0.000 0.000 0.301 396 S C -2.546 172.071 174.600 0.028 0.000 1.083 396 S CA -1.335 56.876 58.200 0.018 0.000 1.025 396 S CB 0.779 63.992 63.200 0.021 0.000 1.056 396 S HN 0.293 nan 8.310 nan 0.000 0.494 397 P HA 0.298 nan 4.420 nan 0.000 0.268 397 P C -0.795 176.550 177.300 0.075 0.000 1.208 397 P CA -0.088 63.045 63.100 0.055 0.000 0.777 397 P CB 0.160 31.898 31.700 0.064 0.000 0.875 398 L N 2.669 123.933 121.223 0.068 0.000 2.342 398 L HA 0.805 5.145 4.340 -0.000 0.000 0.271 398 L C 0.069 176.999 176.870 0.101 0.000 1.008 398 L CA -0.909 53.960 54.840 0.047 0.000 0.818 398 L CB 1.293 43.349 42.059 -0.004 0.000 1.296 398 L HN 0.794 nan 8.230 nan 0.000 0.427 399 H N -0.448 118.644 119.070 0.036 0.000 2.851 399 H HA 0.727 5.283 4.556 -0.000 0.000 0.372 399 H C -1.819 173.539 175.328 0.052 0.000 1.158 399 H CA -0.957 55.119 56.048 0.047 0.000 1.159 399 H CB 2.135 31.933 29.762 0.060 0.000 1.757 399 H HN 0.639 nan 8.280 nan 0.000 0.546 400 D N 2.024 122.498 120.400 0.122 0.000 2.175 400 D HA 0.272 4.912 4.640 -0.000 0.000 0.248 400 D C 0.620 177.032 176.300 0.187 0.000 1.047 400 D CA 0.010 54.062 54.000 0.087 0.000 0.883 400 D CB 2.163 43.007 40.800 0.073 0.000 1.180 400 D HN 0.738 nan 8.370 nan 0.000 0.438 401 T N -2.744 111.908 114.554 0.165 0.000 2.870 401 T HA 0.333 4.683 4.350 -0.000 0.000 0.277 401 T C 1.410 176.191 174.700 0.135 0.000 1.000 401 T CA -0.320 61.895 62.100 0.191 0.000 0.982 401 T CB 0.896 69.897 68.868 0.222 0.000 1.249 401 T HN 0.186 nan 8.240 nan 0.000 0.589 402 S N 0.107 115.882 115.700 0.124 0.000 2.399 402 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 402 S C 1.332 175.958 174.600 0.042 0.000 1.022 402 S CA 0.762 59.009 58.200 0.079 0.000 0.983 402 S CB -0.561 62.683 63.200 0.074 0.000 0.803 402 S HN 0.760 nan 8.310 nan 0.000 0.480 403 K N -0.202 120.221 120.400 0.038 0.000 2.483 403 K HA 0.319 4.639 4.320 -0.000 0.000 0.206 403 K C -0.841 175.557 176.600 -0.338 0.000 1.086 403 K CA -0.133 56.083 56.287 -0.119 0.000 1.052 403 K CB 0.696 33.107 32.500 -0.149 0.000 0.904 403 K HN 0.455 nan 8.250 nan 0.000 0.557 404 H N -0.002 119.075 119.070 0.011 0.000 2.821 404 H HA 0.326 4.882 4.556 -0.000 0.000 0.373 404 H C -0.787 174.530 175.328 -0.018 0.000 1.165 404 H CA -0.770 55.273 56.048 -0.009 0.000 1.154 404 H CB 1.692 31.437 29.762 -0.028 0.000 1.765 404 H HN -0.129 nan 8.280 nan 0.000 0.549 405 E N 1.175 121.431 120.200 0.095 0.000 2.256 405 E HA 0.167 4.516 4.350 -0.000 0.000 0.267 405 E C -0.658 175.940 176.600 -0.003 0.000 0.892 405 E CA -0.676 55.744 56.400 0.033 0.000 0.775 405 E CB 1.729 31.443 29.700 0.023 0.000 1.207 405 E HN 0.660 nan 8.360 nan 0.000 0.420 406 D N 0.350 120.729 120.400 -0.034 0.000 2.686 406 D HA -0.139 4.500 4.640 -0.000 0.000 0.235 406 D C -0.359 175.873 176.300 -0.114 0.000 1.160 406 D CA 0.607 54.573 54.000 -0.057 0.000 0.645 406 D CB -1.518 39.270 40.800 -0.020 0.000 1.039 406 D HN 0.066 nan 8.370 nan 0.000 0.423 407 V N 1.033 120.796 119.914 -0.253 0.000 2.455 407 V HA 0.189 4.309 4.120 -0.000 0.000 0.273 407 V C 1.451 177.345 176.094 -0.333 0.000 1.045 407 V CA -0.291 61.801 62.300 -0.347 0.000 0.976 407 V CB 1.226 32.727 31.823 -0.536 0.000 0.993 407 V HN 0.394 nan 8.190 nan 0.000 0.475 408 T N 0.673 115.147 114.554 -0.133 0.000 2.902 408 T HA 0.049 4.399 4.350 -0.000 0.000 0.301 408 T C 0.658 175.399 174.700 0.069 0.000 1.012 408 T CA -0.415 61.669 62.100 -0.027 0.000 1.151 408 T CB 0.673 69.534 68.868 -0.011 0.000 0.946 408 T HN 0.633 nan 8.240 nan 0.000 0.542 409 D N 1.298 121.790 120.400 0.153 0.000 2.117 409 D HA 0.065 4.704 4.640 -0.000 0.000 0.198 409 D C 0.470 176.835 176.300 0.108 0.000 0.982 409 D CA 0.842 54.963 54.000 0.202 0.000 0.828 409 D CB -0.126 40.768 40.800 0.157 0.000 0.967 409 D HN 0.519 nan 8.370 nan 0.000 0.464 410 I N 0.567 121.177 120.570 0.067 0.000 2.353 410 I HA 0.188 4.357 4.170 -0.000 0.000 0.293 410 I C -0.457 175.677 176.117 0.028 0.000 0.992 410 I CA -0.508 60.818 61.300 0.042 0.000 1.268 410 I CB 1.604 39.620 38.000 0.028 0.000 1.387 410 I HN -0.275 nan 8.210 nan 0.000 0.478 411 E N 4.527 124.745 120.200 0.029 0.000 2.185 411 E HA 0.635 4.985 4.350 -0.000 0.000 0.261 411 E C -1.367 175.247 176.600 0.023 0.000 0.879 411 E CA -0.230 56.182 56.400 0.021 0.000 0.756 411 E CB 1.285 31.000 29.700 0.025 0.000 1.152 411 E HN 0.421 nan 8.360 nan 0.000 0.416 412 S N 2.870 118.573 115.700 0.006 0.000 2.546 412 S HA 0.804 5.273 4.470 -0.000 0.000 0.274 412 S C -1.589 172.998 174.600 -0.023 0.000 1.121 412 S CA -0.535 57.664 58.200 -0.001 0.000 0.887 412 S CB 1.016 64.207 63.200 -0.015 0.000 1.094 412 S HN 0.398 nan 8.310 nan 0.000 0.474 413 V N 0.908 120.803 119.914 -0.031 0.000 2.888 413 V HA 0.970 5.090 4.120 -0.000 0.000 0.309 413 V C -0.290 175.718 176.094 -0.144 0.000 1.114 413 V CA -1.007 61.242 62.300 -0.085 0.000 0.940 413 V CB 1.131 32.898 31.823 -0.093 0.000 1.021 413 V HN 1.126 nan 8.190 nan 0.000 0.426 414 A N 4.493 127.232 122.820 -0.136 0.000 2.318 414 A HA 0.960 5.280 4.320 -0.000 0.000 0.324 414 A C -0.556 176.947 177.584 -0.135 0.000 1.170 414 A CA -0.586 51.364 52.037 -0.144 0.000 0.810 414 A CB 1.009 19.956 19.000 -0.087 0.000 1.198 414 A HN 1.754 nan 8.150 nan 0.000 0.484 415 I N -0.140 120.327 120.570 -0.173 0.000 2.433 415 I HA 0.664 4.833 4.170 -0.000 0.000 0.292 415 I C -1.092 175.052 176.117 0.046 0.000 1.001 415 I CA -0.793 60.459 61.300 -0.081 0.000 1.119 415 I CB 1.553 39.468 38.000 -0.143 0.000 1.289 415 I HN 0.553 nan 8.210 nan 0.000 0.438 416 Y N 6.563 126.839 120.300 -0.040 0.000 2.353 416 Y HA 0.489 5.038 4.550 -0.000 0.000 0.340 416 Y C -0.685 175.228 175.900 0.022 0.000 0.972 416 Y CA -1.086 57.015 58.100 0.002 0.000 1.157 416 Y CB 0.699 39.164 38.460 0.009 0.000 1.157 416 Y HN 0.763 nan 8.280 nan 0.000 0.495 417 N N 5.412 124.018 118.700 -0.156 0.000 2.439 417 N HA 0.057 4.797 4.740 -0.000 0.000 0.249 417 N C 0.223 175.455 175.510 -0.465 0.000 1.003 417 N CA 0.130 53.025 53.050 -0.258 0.000 0.942 417 N CB 0.904 39.352 38.487 -0.065 0.000 1.115 417 N HN 0.996 nan 8.380 nan 0.000 0.505 418 E N 2.137 121.989 120.200 -0.580 0.000 2.474 418 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 418 E C -0.133 176.347 176.600 -0.201 0.000 1.039 418 E CA 0.259 56.277 56.400 -0.636 0.000 0.881 418 E CB 0.475 29.821 29.700 -0.589 0.000 0.970 418 E HN 0.470 nan 8.360 nan 0.000 0.486 419 E N 0.145 120.262 120.200 -0.140 0.000 2.693 419 E HA 0.150 4.500 4.350 -0.000 0.000 0.214 419 E C 0.307 176.884 176.600 -0.039 0.000 0.990 419 E CA 0.142 56.505 56.400 -0.062 0.000 1.047 419 E CB 0.419 30.087 29.700 -0.054 0.000 1.039 419 E HN -0.011 nan 8.360 nan 0.000 0.475 420 K N -0.782 119.593 120.400 -0.041 0.000 2.608 420 K HA 0.114 4.433 4.320 -0.000 0.000 0.214 420 K C -0.116 176.468 176.600 -0.026 0.000 1.469 420 K CA 0.620 56.892 56.287 -0.025 0.000 1.012 420 K CB 1.169 33.660 32.500 -0.016 0.000 1.211 420 K HN -0.023 nan 8.250 nan 0.000 0.627 421 E N 1.898 122.103 120.200 0.008 0.000 2.183 421 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 421 E C -0.660 175.934 176.600 -0.011 0.000 1.364 421 E CA 1.739 58.185 56.400 0.077 0.000 0.700 421 E CB -2.211 nan 29.700 nan 0.000 1.106 421 E HN 0.508 nan 8.360 nan 0.000 0.347 422 E N -1.384 118.896 120.200 0.133 0.000 2.266 422 E HA 0.709 5.059 4.350 -0.000 0.000 0.268 422 E C -0.668 176.111 176.600 0.297 0.000 0.879 422 E CA -1.012 55.468 56.400 0.133 0.000 0.762 422 E CB 2.576 32.305 29.700 0.049 0.000 1.199 422 E HN 0.261 nan 8.360 nan 0.000 0.422 423 V N 1.934 122.000 119.914 0.253 0.000 2.495 423 V HA 0.432 4.552 4.120 -0.000 0.000 0.298 423 V C -0.504 175.613 176.094 0.038 0.000 1.031 423 V CA -0.580 61.826 62.300 0.177 0.000 0.871 423 V CB 2.045 33.941 31.823 0.122 0.000 0.988 423 V HN 0.711 nan 8.190 nan 0.000 0.432 424 T N 5.774 120.324 114.554 -0.007 0.000 2.809 424 T HA 0.637 4.987 4.350 -0.000 0.000 0.284 424 T C -0.416 174.210 174.700 -0.124 0.000 0.992 424 T CA -0.177 61.896 62.100 -0.046 0.000 0.957 424 T CB 1.153 70.037 68.868 0.025 0.000 0.942 424 T HN 0.374 nan 8.240 nan 0.000 0.439 425 I N 3.963 124.505 120.570 -0.046 0.000 2.321 425 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 425 I C -0.732 175.462 176.117 0.129 0.000 0.998 425 I CA -0.732 60.545 61.300 -0.038 0.000 1.227 425 I CB 0.736 38.712 38.000 -0.041 0.000 1.368 425 I HN 0.438 nan 8.210 nan 0.000 0.466 426 F N 5.288 125.118 119.950 -0.200 0.000 2.410 426 F HA 0.697 5.224 4.527 -0.000 0.000 0.349 426 F C 0.493 176.121 175.800 -0.288 0.000 1.117 426 F CA -1.445 56.339 58.000 -0.360 0.000 1.104 426 F CB 1.295 40.146 39.000 -0.249 0.000 1.122 426 F HN 0.388 nan 8.300 nan 0.000 0.483 427 A N 3.377 126.075 122.820 -0.203 0.000 2.422 427 A HA 0.828 5.148 4.320 -0.000 0.000 0.302 427 A C -1.556 175.974 177.584 -0.091 0.000 1.041 427 A CA -0.619 51.360 52.037 -0.098 0.000 0.708 427 A CB 1.611 20.578 19.000 -0.055 0.000 1.257 427 A HN 0.461 nan 8.150 nan 0.000 0.414 428 V N 1.775 121.701 119.914 0.020 0.000 2.823 428 V HA 0.735 4.855 4.120 -0.000 0.000 0.312 428 V C -0.620 175.513 176.094 0.065 0.000 1.072 428 V CA -0.401 61.947 62.300 0.080 0.000 0.937 428 V CB 2.170 34.086 31.823 0.155 0.000 1.013 428 V HN 1.190 nan 8.190 nan 0.000 0.430 429 N N 2.510 121.253 118.700 0.073 0.000 2.752 429 N HA 0.518 5.258 4.740 -0.000 0.000 0.268 429 N C -0.107 175.434 175.510 0.052 0.000 1.190 429 N CA -0.444 52.642 53.050 0.061 0.000 0.897 429 N CB 1.533 40.054 38.487 0.057 0.000 1.515 429 N HN 0.587 nan 8.380 nan 0.000 0.567 430 R N 2.059 122.578 120.500 0.031 0.000 3.569 430 R HA -0.253 4.087 4.340 -0.000 0.000 0.372 430 R C -0.961 175.303 176.300 -0.059 0.000 0.548 430 R CA 1.958 58.071 56.100 0.022 0.000 1.528 430 R CB -1.793 28.550 30.300 0.072 0.000 1.868 430 R HN 0.746 nan 8.270 nan 0.000 0.376 431 N N 0.753 119.408 118.700 -0.076 0.000 2.598 431 N HA 0.097 4.836 4.740 -0.000 0.000 0.309 431 N C 0.746 176.203 175.510 -0.088 0.000 1.645 431 N CA 0.566 53.515 53.050 -0.168 0.000 0.936 431 N CB 0.223 38.621 38.487 -0.147 0.000 1.323 431 N HN 0.423 nan 8.380 nan 0.000 0.497 432 I N 0.332 120.847 120.570 -0.091 0.000 3.474 432 I HA -0.463 3.706 4.170 -0.000 0.000 0.206 432 I C -0.601 175.288 176.117 -0.381 0.000 0.435 432 I CA 1.854 63.022 61.300 -0.221 0.000 1.300 432 I CB -0.933 36.874 38.000 -0.323 0.000 1.070 432 I HN 0.581 nan 8.210 nan 0.000 0.305 433 H N -1.081 117.988 119.070 -0.001 0.000 3.429 433 H HA 0.327 4.883 4.556 -0.000 0.000 0.230 433 H C 0.477 175.809 175.328 0.006 0.000 0.948 433 H CA 0.728 56.777 56.048 0.001 0.000 1.035 433 H CB 0.528 30.279 29.762 -0.018 0.000 1.350 433 H HN 0.380 nan 8.280 nan 0.000 0.600 434 E N 1.634 121.907 120.200 0.122 0.000 2.274 434 E HA 0.261 4.611 4.350 -0.000 0.000 0.269 434 E C -1.546 175.084 176.600 0.050 0.000 0.891 434 E CA -0.840 55.604 56.400 0.075 0.000 0.784 434 E CB 1.012 nan 29.700 nan 0.000 1.225 434 E HN 0.185 nan 8.360 nan 0.000 0.412 435 D N 1.388 121.814 120.400 0.043 0.000 2.414 435 D HA 0.367 5.007 4.640 -0.000 0.000 0.242 435 D C 0.807 177.124 176.300 0.029 0.000 1.129 435 D CA 0.367 54.388 54.000 0.035 0.000 0.885 435 D CB 1.032 41.848 40.800 0.027 0.000 1.198 435 D HN 0.701 nan 8.370 nan 0.000 0.437 436 I N -2.128 118.458 120.570 0.027 0.000 2.730 436 I HA 0.425 4.595 4.170 -0.000 0.000 0.298 436 I C -0.550 175.575 176.117 0.013 0.000 1.089 436 I CA -1.382 59.931 61.300 0.022 0.000 1.041 436 I CB 2.122 40.138 38.000 0.028 0.000 1.235 436 I HN 0.034 nan 8.210 nan 0.000 0.423 437 V N 6.184 126.102 119.914 0.007 0.000 2.406 437 V HA 0.395 4.515 4.120 -0.000 0.000 0.272 437 V C -0.588 175.506 176.094 0.000 0.000 1.043 437 V CA -0.429 61.870 62.300 -0.003 0.000 0.915 437 V CB 1.308 33.127 31.823 -0.007 0.000 0.988 437 V HN 0.636 nan 8.190 nan 0.000 0.466 438 L N 7.725 128.946 121.223 -0.003 0.000 2.259 438 L HA 0.632 4.972 4.340 -0.000 0.000 0.288 438 L C 0.043 176.913 176.870 0.000 0.000 1.051 438 L CA 0.305 55.146 54.840 0.001 0.000 0.824 438 L CB 0.953 43.013 42.059 0.003 0.000 1.206 438 L HN 0.687 nan 8.230 nan 0.000 0.429 439 V N 3.731 123.646 119.914 0.003 0.000 2.356 439 V HA 0.404 4.524 4.120 -0.000 0.000 0.258 439 V C 0.485 176.585 176.094 0.010 0.000 1.065 439 V CA 0.070 62.374 62.300 0.007 0.000 0.935 439 V CB 0.385 nan 31.823 nan 0.000 1.061 439 V HN 0.790 nan 8.190 nan 0.000 0.484 440 S N 4.234 119.947 115.700 0.022 0.000 2.404 440 S HA 0.274 4.744 4.470 -0.000 0.000 0.309 440 S C -0.013 174.611 174.600 0.040 0.000 1.076 440 S CA -0.203 58.010 58.200 0.021 0.000 1.095 440 S CB 0.658 63.868 63.200 0.016 0.000 0.972 440 S HN 0.889 nan 8.310 nan 0.000 0.484 441 D N 3.763 124.175 120.400 0.019 0.000 2.470 441 D HA 0.034 4.674 4.640 -0.000 0.000 0.226 441 D C -0.262 176.046 176.300 0.014 0.000 1.196 441 D CA -0.190 53.821 54.000 0.017 0.000 0.979 441 D CB 0.318 41.118 40.800 0.000 0.000 1.059 441 D HN 0.211 nan 8.370 nan 0.000 0.515 442 V N 5.846 125.788 119.914 0.047 0.000 2.421 442 V HA 0.107 4.226 4.120 -0.000 0.000 0.271 442 V C 1.321 177.406 176.094 -0.016 0.000 1.031 442 V CA 0.217 62.527 62.300 0.017 0.000 1.032 442 V CB 0.296 32.161 31.823 0.071 0.000 1.009 442 V HN 0.461 nan 8.190 nan 0.000 0.477 443 R N 4.084 124.554 120.500 -0.050 0.000 2.427 443 R HA 0.210 4.550 4.340 -0.000 0.000 0.262 443 R C 1.619 177.865 176.300 -0.091 0.000 0.943 443 R CA 0.557 56.625 56.100 -0.053 0.000 1.081 443 R CB 0.695 30.978 30.300 -0.029 0.000 1.166 443 R HN 0.844 nan 8.270 nan 0.000 0.534 444 G N 1.048 109.758 108.800 -0.149 0.000 2.599 444 G HA2 0.022 3.981 3.960 -0.000 0.000 0.210 444 G HA3 0.022 3.981 3.960 -0.000 0.000 0.210 444 G C 0.708 175.479 174.900 -0.215 0.000 1.177 444 G CA 0.100 45.067 45.100 -0.221 0.000 0.835 444 G HN 0.032 nan 8.290 nan 0.000 0.575 445 M N -2.021 117.434 119.600 -0.243 0.000 2.662 445 M HA 0.804 5.283 4.480 -0.000 0.000 0.310 445 M C 0.285 176.566 176.300 -0.031 0.000 1.204 445 M CA -0.267 54.928 55.300 -0.175 0.000 0.891 445 M CB 1.074 33.429 32.600 -0.408 0.000 1.732 445 M HN 0.686 nan 8.290 nan 0.000 0.467 446 K N -0.457 119.941 120.400 -0.004 0.000 3.045 446 K HA 0.093 4.413 4.320 -0.000 0.000 0.443 446 K C 0.377 177.047 176.600 0.117 0.000 0.350 446 K CA 1.927 58.232 56.287 0.030 0.000 1.960 446 K CB -3.076 nan 32.500 nan 0.000 0.534 446 K HN 2.482 nan 8.250 nan 0.000 0.394 447 D N -1.603 118.965 120.400 0.280 0.000 4.736 447 D HA 0.336 4.976 4.640 -0.000 0.000 0.234 447 D C 0.685 177.193 176.300 0.347 0.000 1.210 447 D CA 1.111 55.372 54.000 0.436 0.000 1.126 447 D CB -2.253 nan 40.800 nan 0.000 0.669 447 D HN 2.227 nan 8.370 nan 0.000 0.319 448 Y N -1.123 119.253 120.300 0.126 0.000 2.773 448 Y HA -0.410 4.140 4.550 -0.000 0.000 0.473 448 Y C 1.480 177.446 175.900 0.111 0.000 1.185 448 Y CA 3.852 62.028 58.100 0.126 0.000 2.698 448 Y CB -1.498 37.041 38.460 0.131 0.000 1.115 448 Y HN 2.303 nan 8.280 nan 0.000 0.594 449 R N -0.104 120.641 120.500 0.408 0.000 1.050 449 R HA -0.146 4.194 4.340 -0.000 0.000 0.427 449 R C -1.087 175.213 176.300 -0.001 0.000 1.355 449 R CA 0.364 56.627 56.100 0.271 0.000 1.110 449 R CB -1.378 29.012 30.300 0.149 0.000 3.300 449 R HN 0.749 nan 8.270 nan 0.000 0.509 450 L N 5.280 126.503 121.223 -0.001 0.000 2.597 450 L HA 0.086 4.426 4.340 -0.000 0.000 0.271 450 L C 1.109 177.950 176.870 -0.048 0.000 1.157 450 L CA 0.373 55.151 54.840 -0.103 0.000 0.928 450 L CB 0.431 42.481 42.059 -0.014 0.000 1.216 450 L HN 0.674 nan 8.230 nan 0.000 0.481 451 L N 4.028 125.202 121.223 -0.082 0.000 1.993 451 L HA 0.092 4.432 4.340 -0.000 0.000 0.206 451 L C 0.782 177.621 176.870 -0.051 0.000 1.074 451 L CA 1.193 55.996 54.840 -0.062 0.000 0.746 451 L CB -0.247 41.764 42.059 -0.081 0.000 0.896 451 L HN 0.848 nan 8.230 nan 0.000 0.435 452 E N -1.791 118.366 120.200 -0.072 0.000 2.429 452 E HA 0.229 4.579 4.350 -0.000 0.000 0.280 452 E C -1.274 175.304 176.600 -0.038 0.000 1.068 452 E CA -0.813 55.557 56.400 -0.050 0.000 0.837 452 E CB 1.437 31.096 29.700 -0.069 0.000 1.357 452 E HN 0.101 nan 8.360 nan 0.000 0.455 453 H N 0.994 119.991 119.070 -0.122 0.000 2.953 453 H HA 0.439 4.995 4.556 -0.000 0.000 0.290 453 H C -1.251 173.993 175.328 -0.139 0.000 1.113 453 H CA -0.433 55.532 56.048 -0.137 0.000 1.454 453 H CB 0.421 30.123 29.762 -0.101 0.000 1.525 453 H HN 0.464 nan 8.280 nan 0.000 0.505 454 I N 4.951 125.242 120.570 -0.465 0.000 2.474 454 I HA 0.255 4.425 4.170 -0.000 0.000 0.287 454 I C -0.240 175.586 176.117 -0.485 0.000 1.048 454 I CA -0.656 60.412 61.300 -0.387 0.000 1.383 454 I CB 1.321 39.082 38.000 -0.398 0.000 1.412 454 I HN 0.307 nan 8.210 nan 0.000 0.531 455 V N 7.450 127.227 119.914 -0.228 0.000 2.962 455 V HA 0.578 4.698 4.120 -0.000 0.000 0.313 455 V C -1.315 174.823 176.094 0.072 0.000 1.099 455 V CA -0.710 61.521 62.300 -0.115 0.000 0.971 455 V CB 2.544 34.346 31.823 -0.035 0.000 1.028 455 V HN 0.518 nan 8.190 nan 0.000 0.430 456 L N 5.780 127.135 121.223 0.220 0.000 2.471 456 L HA 0.635 4.975 4.340 -0.000 0.000 0.263 456 L C -0.481 176.638 176.870 0.416 0.000 0.985 456 L CA 0.201 55.246 54.840 0.342 0.000 0.868 456 L CB 1.315 43.720 42.059 0.577 0.000 1.203 456 L HN 0.849 nan 8.230 nan 0.000 0.429 457 E N 2.322 122.595 120.200 0.122 0.000 2.433 457 E HA 0.619 4.968 4.350 -0.000 0.000 0.273 457 E C -1.503 174.711 176.600 -0.643 0.000 0.950 457 E CA -0.993 55.337 56.400 -0.118 0.000 0.796 457 E CB 2.792 32.479 29.700 -0.023 0.000 1.330 457 E HN 0.531 nan 8.360 nan 0.000 0.455 458 H N -0.939 117.531 119.070 -1.000 0.000 3.037 458 H HA 0.066 4.621 4.556 -0.000 0.000 0.336 458 H C -0.376 174.750 175.328 -0.337 0.000 1.323 458 H CA -0.173 55.464 56.048 -0.684 0.000 1.159 458 H CB 1.953 31.212 29.762 -0.838 0.000 1.882 458 H HN 0.624 nan 8.280 nan 0.000 0.535 459 Q N 0.386 120.033 119.800 -0.255 0.000 2.389 459 Q HA 0.109 4.448 4.340 -0.000 0.000 0.204 459 Q C -0.294 175.773 176.000 0.112 0.000 0.944 459 Q CA 0.902 56.672 55.803 -0.054 0.000 0.908 459 Q CB 0.571 29.247 28.738 -0.104 0.000 1.002 459 Q HN 0.310 nan 8.270 nan 0.000 0.493 460 D N -0.131 120.450 120.400 0.302 0.000 2.462 460 D HA 0.218 4.858 4.640 -0.000 0.000 0.245 460 D C 0.074 176.516 176.300 0.237 0.000 1.122 460 D CA -0.469 53.680 54.000 0.249 0.000 0.864 460 D CB 0.927 41.864 40.800 0.228 0.000 1.098 460 D HN 0.130 nan 8.370 nan 0.000 0.541 461 L N 2.684 124.071 121.223 0.273 0.000 2.265 461 L HA -0.054 4.286 4.340 -0.000 0.000 0.215 461 L C 1.955 179.002 176.870 0.295 0.000 1.117 461 L CA 0.789 55.864 54.840 0.392 0.000 0.782 461 L CB -0.130 42.098 42.059 0.282 0.000 0.914 461 L HN 0.256 nan 8.230 nan 0.000 0.441 462 K N -0.281 120.228 120.400 0.181 0.000 2.404 462 K HA 0.182 4.502 4.320 -0.000 0.000 0.194 462 K C 0.657 177.300 176.600 0.073 0.000 1.023 462 K CA -0.127 56.235 56.287 0.126 0.000 1.094 462 K CB 0.346 32.895 32.500 0.083 0.000 0.841 462 K HN 0.104 nan 8.250 nan 0.000 0.523 463 I N 2.231 122.820 120.570 0.031 0.000 2.754 463 I HA -0.037 4.132 4.170 -0.000 0.000 0.285 463 I C 0.439 176.543 176.117 -0.022 0.000 1.166 463 I CA 0.401 61.646 61.300 -0.092 0.000 1.417 463 I CB 0.279 38.014 38.000 -0.440 0.000 1.382 463 I HN 0.090 nan 8.210 nan 0.000 0.588 464 R N 4.506 124.991 120.500 -0.024 0.000 2.912 464 R HA 0.452 4.792 4.340 -0.000 0.000 0.262 464 R C -0.732 175.592 176.300 0.040 0.000 1.057 464 R CA -0.991 55.137 56.100 0.048 0.000 0.981 464 R CB 1.300 31.613 30.300 0.022 0.000 1.201 464 R HN 0.519 nan 8.270 nan 0.000 0.484 465 N N -0.103 118.674 118.700 0.128 0.000 2.482 465 N HA 0.419 5.159 4.740 -0.000 0.000 0.279 465 N C -0.604 174.762 175.510 -0.240 0.000 1.182 465 N CA -0.364 52.734 53.050 0.079 0.000 0.969 465 N CB 1.755 40.427 38.487 0.307 0.000 1.201 465 N HN 0.686 nan 8.380 nan 0.000 0.523 466 S N -2.153 113.164 115.700 -0.639 0.000 2.790 466 S HA 0.252 4.722 4.470 -0.000 0.000 0.292 466 S C 0.463 174.147 174.600 -1.527 0.000 1.197 466 S CA -0.687 56.706 58.200 -1.344 0.000 0.851 466 S CB 0.578 63.380 63.200 -0.663 0.000 1.217 466 S HN 0.129 nan 8.310 nan 0.000 0.526 467 V N 1.331 120.401 119.914 -1.406 0.000 2.913 467 V HA 0.051 4.171 4.120 -0.000 0.000 0.260 467 V C -0.064 175.791 176.094 -0.397 0.000 1.098 467 V CA 1.425 63.207 62.300 -0.863 0.000 1.121 467 V CB -1.109 30.431 31.823 -0.471 0.000 0.714 467 V HN 0.723 nan 8.190 nan 0.000 0.487 468 N N 1.644 120.125 118.700 -0.364 0.000 3.114 468 N HA 0.408 5.148 4.740 -0.000 0.000 0.289 468 N C 0.349 175.752 175.510 -0.179 0.000 1.519 468 N CA 0.670 53.592 53.050 -0.213 0.000 1.026 468 N CB 0.692 39.077 38.487 -0.171 0.000 1.306 468 N HN 0.435 nan 8.380 nan 0.000 0.495 469 G N 1.392 110.099 108.800 -0.155 0.000 2.778 469 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 469 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 469 G C -0.280 174.568 174.900 -0.087 0.000 1.309 469 G CA 0.023 45.067 45.100 -0.093 0.000 0.904 469 G HN 0.663 nan 8.290 nan 0.000 0.593 470 E N -0.337 119.879 120.200 0.027 0.000 2.513 470 E HA -0.118 4.232 4.350 -0.000 0.000 0.220 470 E C 0.736 177.463 176.600 0.212 0.000 1.242 470 E CA 1.216 57.694 56.400 0.130 0.000 0.719 470 E CB -1.029 28.699 29.700 0.046 0.000 1.170 470 E HN 0.622 nan 8.360 nan 0.000 0.419 471 E N -0.309 120.062 120.200 0.284 0.000 2.354 471 E HA 0.137 4.487 4.350 -0.000 0.000 0.203 471 E C 0.139 176.941 176.600 0.337 0.000 0.841 471 E CA 0.747 57.331 56.400 0.307 0.000 1.046 471 E CB 0.712 30.479 29.700 0.112 0.000 1.040 471 E HN 0.205 nan 8.360 nan 0.000 0.504 472 V N 3.536 123.603 119.914 0.256 0.000 2.508 472 V HA 0.109 4.229 4.120 -0.000 0.000 0.281 472 V C -0.453 175.893 176.094 0.420 0.000 1.041 472 V CA 0.161 62.618 62.300 0.261 0.000 1.016 472 V CB -0.499 31.531 31.823 0.345 0.000 0.984 472 V HN 0.151 nan 8.190 nan 0.000 0.478 473 Y N 4.082 124.430 120.300 0.080 0.000 2.604 473 Y HA 0.657 5.207 4.550 -0.000 0.000 0.331 473 Y C -3.082 172.676 175.900 -0.236 0.000 1.158 473 Y CA -3.393 54.570 58.100 -0.229 0.000 1.056 473 Y CB 1.180 39.556 38.460 -0.140 0.000 1.330 473 Y HN 0.399 nan 8.280 nan 0.000 0.457 474 P HA 0.133 nan 4.420 nan 0.000 0.270 474 P C -1.106 176.170 177.300 -0.041 0.000 1.242 474 P CA 0.064 63.125 63.100 -0.065 0.000 0.768 474 P CB 0.823 32.584 31.700 0.102 0.000 0.820 475 K N 3.139 123.480 120.400 -0.099 0.000 2.227 475 K HA 0.187 4.506 4.320 -0.000 0.000 0.280 475 K C 0.341 176.927 176.600 -0.023 0.000 1.041 475 K CA -0.497 55.748 56.287 -0.071 0.000 0.905 475 K CB 0.513 32.934 32.500 -0.132 0.000 1.068 475 K HN 0.240 nan 8.250 nan 0.000 0.470 476 N N 2.003 120.707 118.700 0.007 0.000 2.918 476 N HA 0.086 4.826 4.740 -0.000 0.000 0.247 476 N C -1.243 174.276 175.510 0.015 0.000 1.117 476 N CA 0.096 53.149 53.050 0.004 0.000 1.005 476 N CB 0.390 38.892 38.487 0.025 0.000 1.297 476 N HN 0.381 nan 8.380 nan 0.000 0.513 477 S N 1.324 117.040 115.700 0.027 0.000 2.841 477 S HA 0.723 5.193 4.470 -0.000 0.000 0.318 477 S C -0.904 173.750 174.600 0.090 0.000 1.127 477 S CA -0.549 57.681 58.200 0.050 0.000 0.883 477 S CB 1.172 64.397 63.200 0.042 0.000 1.271 477 S HN 0.606 nan 8.310 nan 0.000 0.567 478 D N 0.315 120.744 120.400 0.049 0.000 4.101 478 D HA 0.028 4.668 4.640 -0.000 0.000 0.215 478 D C -0.901 175.377 176.300 -0.036 0.000 1.399 478 D CA 0.161 54.164 54.000 0.006 0.000 1.093 478 D CB -0.381 40.418 40.800 -0.003 0.000 0.696 478 D HN 0.570 nan 8.370 nan 0.000 0.834 479 K N 0.101 120.441 120.400 -0.100 0.000 2.095 479 K HA 0.459 4.779 4.320 -0.000 0.000 0.325 479 K C -1.980 174.501 176.600 -0.199 0.000 1.786 479 K CA 0.468 56.690 56.287 -0.109 0.000 0.936 479 K CB -0.296 32.152 32.500 -0.088 0.000 1.390 479 K HN 0.653 nan 8.250 nan 0.000 0.417 480 S N 0.912 116.525 115.700 -0.146 0.000 3.028 480 S HA 0.292 4.761 4.470 -0.000 0.000 0.242 480 S C -2.105 172.458 174.600 -0.062 0.000 0.628 480 S CA -0.027 58.072 58.200 -0.168 0.000 0.803 480 S CB 0.929 63.883 63.200 -0.411 0.000 1.006 480 S HN 0.666 nan 8.310 nan 0.000 0.611 481 S N 2.916 118.624 115.700 0.013 0.000 2.658 481 S HA 0.629 5.099 4.470 -0.000 0.000 0.312 481 S C -2.357 172.346 174.600 0.171 0.000 1.006 481 S CA -0.480 57.758 58.200 0.065 0.000 0.855 481 S CB 0.923 64.132 63.200 0.014 0.000 1.053 481 S HN 1.344 nan 8.310 nan 0.000 0.455 482 F N 4.296 124.232 119.950 -0.023 0.000 3.051 482 F HA 0.496 5.023 4.527 -0.000 0.000 0.363 482 F C -0.442 175.354 175.800 -0.007 0.000 1.257 482 F CA -0.653 57.339 58.000 -0.013 0.000 1.126 482 F CB 1.003 40.002 39.000 -0.001 0.000 1.476 482 F HN 0.623 nan 8.300 nan 0.000 0.576 483 D N 2.005 122.161 120.400 -0.405 0.000 2.312 483 D HA 0.299 4.938 4.640 -0.000 0.000 0.290 483 D C -0.874 174.974 176.300 -0.753 0.000 1.170 483 D CA 0.444 54.188 54.000 -0.427 0.000 1.085 483 D CB 0.382 41.046 40.800 -0.227 0.000 1.154 483 D HN 0.555 nan 8.370 nan 0.000 0.535 484 D N -2.101 118.034 120.400 -0.441 0.000 2.686 484 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 484 D C -0.686 175.487 176.300 -0.212 0.000 1.260 484 D CA -1.046 52.727 54.000 -0.378 0.000 0.910 484 D CB 1.442 42.095 40.800 -0.245 0.000 1.323 484 D HN 0.364 nan 8.370 nan 0.000 0.561 485 G N 2.605 111.304 108.800 -0.169 0.000 4.662 485 G HA2 0.490 4.450 3.960 -0.000 0.000 0.328 485 G HA3 0.490 4.450 3.960 -0.000 0.000 0.328 485 G C -0.475 174.374 174.900 -0.084 0.000 1.451 485 G CA -0.462 44.529 45.100 -0.183 0.000 1.154 485 G HN 0.547 nan 8.290 nan 0.000 0.547 486 I N 1.122 121.594 120.570 -0.162 0.000 2.465 486 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 486 I C -0.898 175.299 176.117 0.133 0.000 1.014 486 I CA -1.001 60.298 61.300 -0.002 0.000 1.093 486 I CB 2.546 40.525 38.000 -0.034 0.000 1.267 486 I HN 0.121 nan 8.210 nan 0.000 0.431 487 L N 6.029 127.413 121.223 0.268 0.000 2.296 487 L HA 0.538 4.878 4.340 -0.000 0.000 0.286 487 L C -0.159 176.776 176.870 0.109 0.000 1.023 487 L CA 0.208 55.225 54.840 0.294 0.000 0.812 487 L CB 1.710 43.898 42.059 0.215 0.000 1.223 487 L HN 0.592 nan 8.230 nan 0.000 0.421 488 T N 3.046 117.643 114.554 0.072 0.000 2.786 488 T HA 0.654 5.004 4.350 -0.000 0.000 0.283 488 T C -0.787 173.898 174.700 -0.025 0.000 0.992 488 T CA -0.342 61.767 62.100 0.015 0.000 0.954 488 T CB 0.649 69.519 68.868 0.004 0.000 0.934 488 T HN 0.657 nan 8.240 nan 0.000 0.440 489 S N 5.598 121.272 115.700 -0.043 0.000 2.774 489 S HA 0.399 4.868 4.470 -0.000 0.000 0.297 489 S C -0.063 174.491 174.600 -0.076 0.000 1.143 489 S CA -0.735 57.404 58.200 -0.101 0.000 1.090 489 S CB 0.866 64.009 63.200 -0.095 0.000 1.019 489 S HN 0.816 nan 8.310 nan 0.000 0.482 490 M N 4.062 123.607 119.600 -0.093 0.000 2.303 490 M HA 0.192 4.672 4.480 -0.000 0.000 0.350 490 M C -0.881 175.396 176.300 -0.038 0.000 1.518 490 M CA 0.598 55.865 55.300 -0.055 0.000 1.070 490 M CB -0.157 32.412 32.600 -0.052 0.000 1.910 490 M HN 0.419 nan 8.290 nan 0.000 0.458 491 L N 3.192 124.418 121.223 0.006 0.000 2.349 491 L HA 0.576 4.916 4.340 -0.000 0.000 0.278 491 L C 0.520 177.422 176.870 0.052 0.000 0.996 491 L CA -0.890 53.978 54.840 0.046 0.000 0.825 491 L CB 1.183 43.271 42.059 0.049 0.000 1.243 491 L HN 0.801 nan 8.230 nan 0.000 0.412 492 R N 2.189 122.731 120.500 0.069 0.000 2.694 492 R HA 0.288 4.628 4.340 -0.000 0.000 0.268 492 R C 0.355 176.704 176.300 0.081 0.000 1.061 492 R CA -0.410 55.730 56.100 0.067 0.000 1.133 492 R CB -0.266 30.077 30.300 0.071 0.000 1.020 492 R HN 0.784 nan 8.270 nan 0.000 0.475 493 R N 1.669 122.211 120.500 0.070 0.000 2.413 493 R HA 0.456 4.796 4.340 -0.000 0.000 0.333 493 R C 0.206 176.564 176.300 0.097 0.000 1.074 493 R CA 0.556 56.695 56.100 0.065 0.000 0.982 493 R CB -0.628 29.703 30.300 0.052 0.000 0.981 493 R HN 1.836 nan 8.270 nan 0.000 0.452 494 A N 2.094 124.975 122.820 0.101 0.000 1.554 494 A HA -0.042 4.278 4.320 -0.000 0.000 0.210 494 A C 0.171 177.920 177.584 0.275 0.000 1.250 494 A CA 0.600 52.732 52.037 0.158 0.000 0.617 494 A CB -1.674 17.427 19.000 0.168 0.000 1.224 494 A HN 1.420 nan 8.150 nan 0.000 0.190 495 S N 2.764 118.608 115.700 0.239 0.000 2.588 495 S HA 0.745 5.215 4.470 -0.000 0.000 0.269 495 S C -0.609 174.159 174.600 0.281 0.000 1.157 495 S CA -0.102 58.298 58.200 0.333 0.000 0.824 495 S CB 1.310 64.671 63.200 0.269 0.000 1.126 495 S HN 2.080 nan 8.310 nan 0.000 0.464 496 W N 2.681 124.056 121.300 0.124 0.000 2.335 496 W HA 0.578 5.238 4.660 -0.000 0.000 0.307 496 W C -1.851 174.665 176.519 -0.004 0.000 1.117 496 W CA -0.383 56.995 57.345 0.054 0.000 1.228 496 W CB 0.918 30.424 29.460 0.077 0.000 1.240 496 W HN 0.776 nan 8.180 nan 0.000 0.468 497 N N 4.117 122.418 118.700 -0.665 0.000 2.314 497 N HA 0.405 5.145 4.740 -0.000 0.000 0.294 497 N C -1.330 173.643 175.510 -0.896 0.000 1.029 497 N CA -0.573 52.086 53.050 -0.652 0.000 0.845 497 N CB 2.376 40.704 38.487 -0.266 0.000 1.321 497 N HN 0.125 nan 8.380 nan 0.000 0.481 498 V N 3.253 122.672 119.914 -0.825 0.000 2.325 498 V HA 0.452 4.571 4.120 -0.000 0.000 0.280 498 V C -0.342 175.483 176.094 -0.448 0.000 1.016 498 V CA -0.600 61.331 62.300 -0.615 0.000 0.818 498 V CB 0.309 31.723 31.823 -0.681 0.000 1.019 498 V HN 0.553 nan 8.190 nan 0.000 0.434 499 I N 5.117 125.558 120.570 -0.214 0.000 2.339 499 I HA 0.579 4.749 4.170 -0.000 0.000 0.290 499 I C 0.167 176.218 176.117 -0.111 0.000 0.994 499 I CA -0.511 60.740 61.300 -0.081 0.000 1.191 499 I CB 1.256 39.293 38.000 0.063 0.000 1.343 499 I HN 0.417 nan 8.210 nan 0.000 0.458 500 R N 6.867 127.281 120.500 -0.144 0.000 2.480 500 R HA 0.733 5.073 4.340 -0.000 0.000 0.306 500 R C -1.096 175.113 176.300 -0.152 0.000 0.958 500 R CA -0.700 55.306 56.100 -0.157 0.000 0.861 500 R CB 2.323 32.484 30.300 -0.231 0.000 1.171 500 R HN 0.559 nan 8.270 nan 0.000 0.445 501 I N 1.052 121.542 120.570 -0.134 0.000 2.569 501 I HA 0.481 4.651 4.170 -0.000 0.000 0.296 501 I C 0.712 176.785 176.117 -0.074 0.000 1.028 501 I CA -0.837 60.365 61.300 -0.163 0.000 1.082 501 I CB 2.211 40.055 38.000 -0.261 0.000 1.264 501 I HN 0.628 nan 8.210 nan 0.000 0.429 502 G N 0.000 108.711 108.800 -0.148 0.000 5.446 502 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 502 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 502 G CA 0.000 44.916 45.100 -0.308 0.000 0.502 502 G HN 0.000 nan 8.290 nan 0.000 0.925