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_C 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 GMXXXRLLEH 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 0.000 177.587 177.584 0.005 0.000 1.274 4 A CA 0.000 52.043 52.037 0.011 0.000 0.836 4 A CB 0.000 19.009 19.000 0.014 0.000 0.831 5 R N 0.857 121.358 120.500 0.003 0.000 2.368 5 R HA 0.814 5.154 4.340 -0.000 0.000 0.302 5 R C -0.069 176.227 176.300 -0.007 0.000 1.002 5 R CA -0.026 56.074 56.100 -0.001 0.000 0.929 5 R CB 1.586 31.886 30.300 -0.001 0.000 1.073 5 R HN 0.908 nan 8.270 nan 0.000 0.464 6 M N 0.594 120.190 119.600 -0.008 0.000 2.413 6 M HA 0.403 4.883 4.480 -0.000 0.000 0.287 6 M C -1.521 174.770 176.300 -0.014 0.000 1.186 6 M CA -0.359 54.930 55.300 -0.019 0.000 0.927 6 M CB 2.736 35.322 32.600 -0.023 0.000 1.715 6 M HN 0.523 nan 8.290 nan 0.000 0.478 7 T N 3.191 117.730 114.554 -0.025 0.000 2.809 7 T HA 0.702 5.052 4.350 -0.000 0.000 0.284 7 T C -1.734 172.951 174.700 -0.025 0.000 0.992 7 T CA -0.425 61.666 62.100 -0.015 0.000 0.957 7 T CB 0.971 69.832 68.868 -0.010 0.000 0.942 7 T HN 0.527 nan 8.240 nan 0.000 0.439 8 V N 5.454 125.363 119.914 -0.008 0.000 2.378 8 V HA 0.532 4.652 4.120 -0.000 0.000 0.288 8 V C -0.524 175.569 176.094 -0.001 0.000 1.016 8 V CA -0.745 61.546 62.300 -0.015 0.000 0.840 8 V CB 1.527 33.339 31.823 -0.020 0.000 0.994 8 V HN 0.960 nan 8.190 nan 0.000 0.431 9 D N 2.989 123.400 120.400 0.019 0.000 2.620 9 D HA 0.300 4.940 4.640 -0.000 0.000 0.252 9 D C 0.890 177.201 176.300 0.018 0.000 1.207 9 D CA -0.394 53.633 54.000 0.046 0.000 0.884 9 D CB 2.025 42.927 40.800 0.170 0.000 1.262 9 D HN 0.280 nan 8.370 nan 0.000 0.552 10 K N 1.365 121.706 120.400 -0.099 0.000 2.283 10 K HA -0.047 4.272 4.320 -0.000 0.000 0.202 10 K C 0.627 177.177 176.600 -0.084 0.000 1.048 10 K CA 0.952 57.123 56.287 -0.194 0.000 0.948 10 K CB -0.575 31.650 32.500 -0.458 0.000 0.742 10 K HN 0.460 nan 8.250 nan 0.000 0.458 11 D N -0.645 119.719 120.400 -0.061 0.000 2.378 11 D HA 0.041 4.681 4.640 -0.000 0.000 0.227 11 D C -0.474 175.772 176.300 -0.089 0.000 1.012 11 D CA 0.523 54.474 54.000 -0.081 0.000 0.905 11 D CB -0.301 40.423 40.800 -0.125 0.000 0.895 11 D HN 0.428 nan 8.370 nan 0.000 0.532 12 Y N 1.080 121.356 120.300 -0.040 0.000 2.836 12 Y HA 0.277 4.827 4.550 -0.000 0.000 0.359 12 Y C -0.285 175.603 175.900 -0.020 0.000 1.060 12 Y CA -1.159 56.924 58.100 -0.028 0.000 1.161 12 Y CB -0.224 38.216 38.460 -0.033 0.000 1.225 12 Y HN -0.334 nan 8.280 nan 0.000 0.621 13 K N 1.498 122.008 120.400 0.185 0.000 2.185 13 K HA 0.350 4.670 4.320 -0.000 0.000 0.271 13 K C 0.599 177.269 176.600 0.116 0.000 1.013 13 K CA -0.105 56.255 56.287 0.121 0.000 0.943 13 K CB 1.574 34.124 32.500 0.084 0.000 0.998 13 K HN 0.414 nan 8.250 nan 0.000 0.468 14 I N 0.364 120.972 120.570 0.063 0.000 2.899 14 I HA 0.187 4.357 4.170 -0.000 0.000 0.257 14 I C 0.361 176.503 176.117 0.043 0.000 1.115 14 I CA 0.215 61.538 61.300 0.038 0.000 1.451 14 I CB 0.492 38.484 38.000 -0.013 0.000 1.251 14 I HN 0.696 nan 8.210 nan 0.000 0.456 15 A N 0.303 123.143 122.820 0.034 0.000 2.544 15 A HA 0.416 4.736 4.320 -0.000 0.000 0.291 15 A C -1.295 176.304 177.584 0.024 0.000 1.055 15 A CA -0.546 51.511 52.037 0.034 0.000 0.651 15 A CB 0.761 19.783 19.000 0.036 0.000 1.296 15 A HN 0.097 nan 8.150 nan 0.000 0.431 16 E N 0.495 120.707 120.200 0.019 0.000 2.316 16 E HA 0.484 4.834 4.350 -0.000 0.000 0.275 16 E C -0.707 175.889 176.600 -0.006 0.000 1.029 16 E CA -0.124 56.281 56.400 0.009 0.000 0.871 16 E CB 0.422 30.125 29.700 0.006 0.000 1.022 16 E HN 0.435 nan 8.360 nan 0.000 0.418 17 I N 4.118 124.685 120.570 -0.006 0.000 2.533 17 I HA -0.006 4.164 4.170 -0.000 0.000 0.284 17 I C 0.296 176.399 176.117 -0.023 0.000 1.109 17 I CA 0.225 61.513 61.300 -0.020 0.000 1.412 17 I CB 0.584 38.591 38.000 0.011 0.000 1.396 17 I HN 0.585 nan 8.210 nan 0.000 0.543 18 D N 7.125 127.490 120.400 -0.059 0.000 2.295 18 D HA 0.027 4.667 4.640 -0.000 0.000 0.248 18 D C 1.058 177.318 176.300 -0.066 0.000 1.154 18 D CA -0.330 53.638 54.000 -0.053 0.000 0.857 18 D CB 1.162 41.921 40.800 -0.069 0.000 1.117 18 D HN 0.539 nan 8.370 nan 0.000 0.468 19 K N 3.367 123.773 120.400 0.010 0.000 2.360 19 K HA -0.147 4.173 4.320 -0.000 0.000 0.201 19 K C 1.191 177.823 176.600 0.052 0.000 1.046 19 K CA 0.848 57.193 56.287 0.096 0.000 0.940 19 K CB 0.078 32.651 32.500 0.121 0.000 0.748 19 K HN 0.274 nan 8.250 nan 0.000 0.465 20 R N 1.208 121.699 120.500 -0.014 0.000 2.339 20 R HA 0.030 4.370 4.340 -0.000 0.000 0.199 20 R C 2.162 178.428 176.300 -0.057 0.000 1.018 20 R CA 0.950 57.042 56.100 -0.013 0.000 1.036 20 R CB -0.477 29.805 30.300 -0.031 0.000 0.899 20 R HN 0.530 nan 8.270 nan 0.000 0.473 21 I N -3.121 117.324 120.570 -0.210 0.000 3.291 21 I HA -0.094 4.076 4.170 -0.000 0.000 0.279 21 I C 0.245 176.165 176.117 -0.328 0.000 1.294 21 I CA 0.932 62.049 61.300 -0.304 0.000 1.428 21 I CB 0.042 37.769 38.000 -0.456 0.000 1.070 21 I HN -0.062 nan 8.210 nan 0.000 0.478 22 Y N 2.455 122.790 120.300 0.059 0.000 2.746 22 Y HA 0.556 5.106 4.550 -0.000 0.000 0.312 22 Y C 1.440 177.541 175.900 0.334 0.000 1.117 22 Y CA -0.896 57.248 58.100 0.073 0.000 1.324 22 Y CB -0.466 37.946 38.460 -0.081 0.000 1.173 22 Y HN 0.108 nan 8.280 nan 0.000 0.529 23 G N -0.457 108.551 108.800 0.347 0.000 2.580 23 G HA2 0.434 4.394 3.960 -0.000 0.000 0.278 23 G HA3 0.434 4.394 3.960 -0.000 0.000 0.278 23 G C -0.175 174.888 174.900 0.273 0.000 1.212 23 G CA -0.103 45.155 45.100 0.263 0.000 0.939 23 G HN 0.248 nan 8.290 nan 0.000 0.513 24 S N -1.794 113.993 115.700 0.146 0.000 2.998 24 S HA 0.789 5.258 4.470 -0.000 0.000 0.323 24 S C -2.045 172.669 174.600 0.190 0.000 1.141 24 S CA -0.541 57.700 58.200 0.068 0.000 0.873 24 S CB 1.372 64.518 63.200 -0.091 0.000 1.315 24 S HN 0.961 nan 8.310 nan 0.000 0.637 25 F N 1.431 121.350 119.950 -0.051 0.000 2.623 25 F HA 0.640 5.167 4.527 -0.000 0.000 0.323 25 F C -2.016 173.754 175.800 -0.049 0.000 1.158 25 F CA -0.776 57.208 58.000 -0.026 0.000 1.030 25 F CB 0.864 39.827 39.000 -0.061 0.000 1.280 25 F HN 0.280 nan 8.300 nan 0.000 0.474 26 V N 5.872 125.703 119.914 -0.138 0.000 2.378 26 V HA 0.436 4.556 4.120 -0.000 0.000 0.288 26 V C -0.437 175.332 176.094 -0.542 0.000 1.016 26 V CA -0.635 61.429 62.300 -0.394 0.000 0.840 26 V CB 1.529 33.305 31.823 -0.077 0.000 0.994 26 V HN 0.793 nan 8.190 nan 0.000 0.431 27 E N 2.914 122.628 120.200 -0.810 0.000 2.202 27 E HA 0.354 4.704 4.350 -0.000 0.000 0.272 27 E C -0.382 175.866 176.600 -0.587 0.000 0.951 27 E CA -0.824 55.227 56.400 -0.581 0.000 0.813 27 E CB 0.998 30.383 29.700 -0.525 0.000 1.151 27 E HN 0.731 nan 8.360 nan 0.000 0.398 28 H N 4.391 122.981 119.070 -0.800 0.000 3.629 28 H HA 0.135 4.691 4.556 -0.000 0.000 0.245 28 H C -0.558 174.392 175.328 -0.630 0.000 1.599 28 H CA 0.324 55.836 56.048 -0.894 0.000 1.557 28 H CB -0.257 28.509 29.762 -1.661 0.000 1.823 28 H HN 0.255 nan 8.280 nan 0.000 0.614 29 L N 1.353 122.299 121.223 -0.463 0.000 2.464 29 L HA 0.380 4.720 4.340 -0.000 0.000 0.266 29 L C 0.761 177.364 176.870 -0.445 0.000 0.965 29 L CA -0.168 54.352 54.840 -0.533 0.000 0.833 29 L CB 1.508 43.075 42.059 -0.820 0.000 1.296 29 L HN 0.719 nan 8.230 nan 0.000 0.405 30 G N 4.288 112.886 108.800 -0.337 0.000 2.672 30 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.324 30 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.324 30 G C 0.467 175.260 174.900 -0.179 0.000 1.286 30 G CA 0.651 45.604 45.100 -0.245 0.000 1.004 30 G HN 0.739 nan 8.290 nan 0.000 0.548 31 R N 1.211 121.589 120.500 -0.203 0.000 2.586 31 R HA 0.495 4.835 4.340 -0.000 0.000 0.306 31 R C 2.304 178.464 176.300 -0.235 0.000 1.079 31 R CA 0.612 56.615 56.100 -0.161 0.000 1.083 31 R CB 0.124 30.347 30.300 -0.128 0.000 1.306 31 R HN 0.549 nan 8.270 nan 0.000 0.567 32 A N 0.461 123.086 122.820 -0.324 0.000 1.898 32 A HA -0.074 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 1.317 53.117 52.037 -0.395 0.000 0.620 32 A CB 0.062 18.772 19.000 -0.482 0.000 0.819 32 A HN 0.119 nan 8.150 nan 0.000 0.442 33 V N -2.047 117.564 119.914 -0.505 0.000 2.635 33 V HA 0.070 4.190 4.120 -0.000 0.000 0.233 33 V C 0.578 176.393 176.094 -0.464 0.000 1.097 33 V CA 0.261 62.169 62.300 -0.653 0.000 1.134 33 V CB -0.889 30.276 31.823 -1.097 0.000 0.841 33 V HN 0.481 nan 8.190 nan 0.000 0.496 34 Y N 1.217 121.453 120.300 -0.106 0.000 2.335 34 Y HA 0.381 4.931 4.550 -0.000 0.000 0.331 34 Y C 0.853 176.720 175.900 -0.055 0.000 1.094 34 Y CA -0.197 57.903 58.100 0.000 0.000 1.253 34 Y CB -0.087 38.387 38.460 0.022 0.000 1.203 34 Y HN 0.351 nan 8.280 nan 0.000 0.508 35 D N 0.485 120.937 120.400 0.087 0.000 2.837 35 D HA -0.169 4.471 4.640 -0.000 0.000 0.230 35 D C 0.441 176.709 176.300 -0.054 0.000 1.152 35 D CA 1.404 55.406 54.000 0.003 0.000 0.736 35 D CB -0.903 39.901 40.800 0.007 0.000 1.084 35 D HN 0.895 nan 8.370 nan 0.000 0.429 36 G N -0.941 107.808 108.800 -0.085 0.000 3.193 36 G HA2 0.337 4.297 3.960 -0.000 0.000 0.186 36 G HA3 0.337 4.297 3.960 -0.000 0.000 0.186 36 G C 1.007 175.831 174.900 -0.127 0.000 1.536 36 G CA 0.036 45.052 45.100 -0.140 0.000 0.943 36 G HN 0.434 nan 8.290 nan 0.000 0.781 37 L N -1.364 119.729 121.223 -0.217 0.000 2.217 37 L HA 0.416 4.756 4.340 -0.000 0.000 0.211 37 L C 0.846 177.696 176.870 -0.033 0.000 1.107 37 L CA 0.861 55.567 54.840 -0.224 0.000 0.783 37 L CB -0.489 41.118 42.059 -0.753 0.000 0.919 37 L HN 0.216 nan 8.230 nan 0.000 0.442 38 Y N 1.763 121.956 120.300 -0.178 0.000 2.388 38 Y HA 0.570 5.120 4.550 -0.000 0.000 0.328 38 Y C -0.915 174.972 175.900 -0.022 0.000 0.963 38 Y CA -0.876 57.199 58.100 -0.042 0.000 1.240 38 Y CB 0.765 39.155 38.460 -0.118 0.000 1.118 38 Y HN 0.232 nan 8.280 nan 0.000 0.484 39 Q N 8.212 127.782 119.800 -0.383 0.000 2.891 39 Q HA 0.230 4.570 4.340 -0.000 0.000 0.242 39 Q C -2.349 173.417 176.000 -0.389 0.000 0.959 39 Q CA -1.937 53.670 55.803 -0.327 0.000 0.707 39 Q CB 1.771 30.428 28.738 -0.135 0.000 1.283 39 Q HN 0.483 nan 8.270 nan 0.000 0.480 40 P HA -0.235 nan 4.420 nan 0.000 0.212 40 P C 1.248 178.430 177.300 -0.197 0.000 1.174 40 P CA 1.734 64.601 63.100 -0.388 0.000 0.934 40 P CB 0.134 31.658 31.700 -0.293 0.000 0.791 41 G N -1.562 107.155 108.800 -0.138 0.000 2.776 41 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.209 41 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.209 41 G C 0.695 175.553 174.900 -0.069 0.000 1.145 41 G CA -0.069 44.981 45.100 -0.084 0.000 0.791 41 G HN 0.251 nan 8.290 nan 0.000 0.530 42 N N 0.713 119.363 118.700 -0.082 0.000 2.525 42 N HA 0.030 4.770 4.740 -0.000 0.000 0.271 42 N C 1.882 177.367 175.510 -0.041 0.000 1.194 42 N CA 0.495 53.511 53.050 -0.057 0.000 0.964 42 N CB 1.366 39.818 38.487 -0.058 0.000 1.126 42 N HN 0.096 nan 8.380 nan 0.000 0.452 43 S N 3.142 118.825 115.700 -0.027 0.000 2.399 43 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 43 S C 1.223 175.816 174.600 -0.012 0.000 1.022 43 S CA 1.096 59.285 58.200 -0.018 0.000 0.983 43 S CB -0.035 63.157 63.200 -0.014 0.000 0.803 43 S HN 0.576 nan 8.310 nan 0.000 0.480 44 K N 1.556 121.950 120.400 -0.009 0.000 2.487 44 K HA 0.298 4.618 4.320 -0.000 0.000 0.192 44 K C 0.137 176.745 176.600 0.013 0.000 1.027 44 K CA 0.022 56.310 56.287 0.003 0.000 1.054 44 K CB 0.197 32.701 32.500 0.007 0.000 0.824 44 K HN 0.211 nan 8.250 nan 0.000 0.510 45 S N 1.795 117.494 115.700 -0.002 0.000 2.585 45 S HA 0.093 4.563 4.470 -0.000 0.000 0.277 45 S C -0.251 174.353 174.600 0.006 0.000 1.241 45 S CA -1.084 57.119 58.200 0.005 0.000 1.041 45 S CB 0.987 64.156 63.200 -0.052 0.000 0.987 45 S HN 0.305 nan 8.310 nan 0.000 0.512 46 D N 1.205 121.627 120.400 0.036 0.000 2.380 46 D HA 0.091 4.730 4.640 -0.000 0.000 0.254 46 D C 0.572 176.856 176.300 -0.028 0.000 1.288 46 D CA -0.415 53.600 54.000 0.025 0.000 1.008 46 D CB 0.216 41.064 40.800 0.080 0.000 1.099 46 D HN 0.448 nan 8.370 nan 0.000 0.537 47 E N -1.145 119.042 120.200 -0.021 0.000 2.418 47 E HA -0.037 4.313 4.350 -0.000 0.000 0.197 47 E C 0.597 177.145 176.600 -0.086 0.000 1.026 47 E CA 0.716 57.092 56.400 -0.040 0.000 0.862 47 E CB -0.143 29.549 29.700 -0.012 0.000 0.799 47 E HN 0.353 nan 8.360 nan 0.000 0.518 48 D N -0.558 119.748 120.400 -0.156 0.000 2.349 48 D HA 0.091 4.731 4.640 -0.000 0.000 0.215 48 D C 1.192 177.181 176.300 -0.519 0.000 1.016 48 D CA 0.859 54.653 54.000 -0.344 0.000 0.870 48 D CB 0.642 41.156 40.800 -0.477 0.000 0.917 48 D HN 0.308 nan 8.370 nan 0.000 0.524 49 G N 0.519 109.092 108.800 -0.377 0.000 2.157 49 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.239 49 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.239 49 G C -0.023 174.709 174.900 -0.281 0.000 0.982 49 G CA -0.470 44.394 45.100 -0.394 0.000 0.650 49 G HN 0.148 nan 8.290 nan 0.000 0.527 50 F N 1.957 121.959 119.950 0.087 0.000 2.410 50 F HA 0.575 5.102 4.527 -0.000 0.000 0.348 50 F C 1.240 177.089 175.800 0.083 0.000 1.106 50 F CA -1.445 56.641 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 -0.127 nan 8.300 nan 0.000 0.516 51 R N 3.506 124.161 120.500 0.259 0.000 2.404 51 R HA 0.026 4.366 4.340 -0.000 0.000 0.315 51 R C 1.023 177.417 176.300 0.156 0.000 1.032 51 R CA 0.100 56.285 56.100 0.142 0.000 0.992 51 R CB 0.306 30.656 30.300 0.084 0.000 0.959 51 R HN 0.755 nan 8.270 nan 0.000 0.428 52 K N 1.480 121.941 120.400 0.102 0.000 2.148 52 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 52 K C 1.284 177.908 176.600 0.039 0.000 1.050 52 K CA 1.649 57.978 56.287 0.071 0.000 0.942 52 K CB 0.157 32.686 32.500 0.048 0.000 0.724 52 K HN 0.574 nan 8.250 nan 0.000 0.446 53 D N 0.697 121.117 120.400 0.034 0.000 2.144 53 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 53 D C 1.840 178.150 176.300 0.017 0.000 0.978 53 D CA 0.891 54.901 54.000 0.017 0.000 0.833 53 D CB -0.613 40.195 40.800 0.013 0.000 0.961 53 D HN -0.041 nan 8.370 nan 0.000 0.470 54 V N 1.127 121.066 119.914 0.042 0.000 2.295 54 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 54 V C 2.759 178.884 176.094 0.052 0.000 1.049 54 V CA 1.251 63.586 62.300 0.059 0.000 1.024 54 V CB -0.479 31.409 31.823 0.109 0.000 0.648 54 V HN 0.170 nan 8.190 nan 0.000 0.447 55 I N -0.176 120.417 120.570 0.038 0.000 2.208 55 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 55 I C 2.626 178.674 176.117 -0.116 0.000 1.097 55 I CA 1.394 62.627 61.300 -0.112 0.000 1.363 55 I CB -0.414 37.509 38.000 -0.129 0.000 1.051 55 I HN 0.325 nan 8.210 nan 0.000 0.413 56 E N 0.637 120.806 120.200 -0.052 0.000 2.106 56 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 56 E C 2.320 178.913 176.600 -0.011 0.000 0.984 56 E CA 1.125 57.502 56.400 -0.037 0.000 0.806 56 E CB -0.307 29.383 29.700 -0.017 0.000 0.750 56 E HN 0.517 nan 8.360 nan 0.000 0.458 57 L N 0.215 121.442 121.223 0.008 0.000 2.156 57 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 57 L C 2.420 179.344 176.870 0.090 0.000 1.095 57 L CA 0.460 55.349 54.840 0.082 0.000 0.770 57 L CB -0.250 41.841 42.059 0.054 0.000 0.914 57 L HN -0.024 nan 8.230 nan 0.000 0.439 58 V N -0.286 119.610 119.914 -0.030 0.000 2.323 58 V HA -0.241 3.879 4.120 -0.000 0.000 0.244 58 V C 2.429 178.438 176.094 -0.142 0.000 1.041 58 V CA 1.559 63.786 62.300 -0.123 0.000 1.025 58 V CB -0.478 31.218 31.823 -0.212 0.000 0.656 58 V HN 0.378 nan 8.190 nan 0.000 0.451 59 K N -0.185 120.132 120.400 -0.138 0.000 2.152 59 K HA -0.246 4.074 4.320 -0.000 0.000 0.206 59 K C 2.213 178.778 176.600 -0.058 0.000 1.048 59 K CA 1.690 57.907 56.287 -0.116 0.000 0.933 59 K CB -0.130 32.302 32.500 -0.113 0.000 0.721 59 K HN 0.538 nan 8.250 nan 0.000 0.447 60 E N 0.931 121.129 120.200 -0.002 0.000 2.072 60 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 60 E C 1.984 178.590 176.600 0.009 0.000 0.985 60 E CA 0.688 57.129 56.400 0.068 0.000 0.801 60 E CB 0.074 29.900 29.700 0.210 0.000 0.750 60 E HN 0.219 nan 8.360 nan 0.000 0.452 61 L N 0.761 121.918 121.223 -0.109 0.000 2.131 61 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 61 L C 0.739 177.558 176.870 -0.085 0.000 1.092 61 L CA 0.494 55.170 54.840 -0.273 0.000 0.759 61 L CB -0.320 41.445 42.059 -0.490 0.000 0.903 61 L HN 0.328 nan 8.230 nan 0.000 0.435 62 N N 0.570 119.224 118.700 -0.076 0.000 2.522 62 N HA -0.168 4.572 4.740 -0.000 0.000 0.281 62 N C -1.230 174.295 175.510 0.026 0.000 1.267 62 N CA 0.156 53.178 53.050 -0.046 0.000 0.675 62 N CB -0.625 37.823 38.487 -0.065 0.000 0.890 62 N HN -0.037 nan 8.380 nan 0.000 0.542 63 V N 5.422 125.335 119.914 -0.001 0.000 2.350 63 V HA 0.300 4.420 4.120 -0.000 0.000 0.285 63 V C -1.326 174.781 176.094 0.021 0.000 1.014 63 V CA -1.123 61.214 62.300 0.061 0.000 0.831 63 V CB 1.734 33.556 31.823 -0.002 0.000 1.000 63 V HN 0.349 nan 8.190 nan 0.000 0.433 64 P HA 0.141 nan 4.420 nan 0.000 0.222 64 P C 0.197 177.508 177.300 0.019 0.000 1.153 64 P CA 0.823 63.942 63.100 0.032 0.000 0.798 64 P CB 0.738 32.476 31.700 0.062 0.000 0.796 65 I N -0.900 119.697 120.570 0.046 0.000 2.656 65 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 65 I C -1.570 174.595 176.117 0.079 0.000 1.144 65 I CA -1.284 60.042 61.300 0.044 0.000 1.038 65 I CB 2.142 40.163 38.000 0.035 0.000 1.244 65 I HN -0.367 nan 8.210 nan 0.000 0.420 66 I N 6.853 127.486 120.570 0.104 0.000 2.447 66 I HA 0.451 4.621 4.170 -0.000 0.000 0.287 66 I C -0.123 176.143 176.117 0.248 0.000 1.023 66 I CA -0.689 60.729 61.300 0.197 0.000 1.083 66 I CB 1.792 39.952 38.000 0.267 0.000 1.245 66 I HN 0.525 nan 8.210 nan 0.000 0.434 67 R N 5.230 125.886 120.500 0.259 0.000 2.491 67 R HA 0.343 4.682 4.340 -0.000 0.000 0.283 67 R C -1.771 174.788 176.300 0.433 0.000 1.072 67 R CA 0.112 56.356 56.100 0.241 0.000 1.048 67 R CB 0.720 31.045 30.300 0.042 0.000 0.983 67 R HN 0.614 nan 8.270 nan 0.000 0.450 68 Y N 5.132 125.488 120.300 0.094 0.000 2.565 68 Y HA 0.263 4.812 4.550 -0.000 0.000 0.330 68 Y C -2.427 173.449 175.900 -0.040 0.000 1.150 68 Y CA -1.805 56.253 58.100 -0.070 0.000 1.055 68 Y CB 2.363 40.582 38.460 -0.401 0.000 1.337 68 Y HN 0.512 nan 8.280 nan 0.000 0.457 69 P HA 0.396 nan 4.420 nan 0.000 0.263 69 P C -0.239 176.967 177.300 -0.156 0.000 1.448 69 P CA 0.591 63.089 63.100 -1.003 0.000 0.983 69 P CB 0.849 31.709 31.700 -1.400 0.000 1.481 70 G N -1.888 107.015 108.800 0.171 0.000 2.356 70 G HA2 0.516 4.475 3.960 -0.000 0.000 0.294 70 G HA3 0.516 4.475 3.960 -0.000 0.000 0.294 70 G C -0.692 174.345 174.900 0.228 0.000 1.423 70 G CA 0.044 45.386 45.100 0.403 0.000 0.806 70 G HN 0.269 nan 8.290 nan 0.000 0.527 71 G N -0.918 108.022 108.800 0.233 0.000 2.707 71 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 71 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 71 G C 0.534 175.678 174.900 0.407 0.000 1.315 71 G CA 0.380 45.779 45.100 0.497 0.000 0.832 71 G HN 1.050 nan 8.290 nan 0.000 0.573 72 N N -0.820 118.168 118.700 0.480 0.000 2.331 72 N HA 0.002 4.742 4.740 -0.000 0.000 0.180 72 N C 2.067 177.723 175.510 0.245 0.000 1.019 72 N CA 1.172 54.395 53.050 0.288 0.000 0.881 72 N CB -0.077 38.478 38.487 0.114 0.000 0.972 72 N HN 0.510 nan 8.380 nan 0.000 0.435 73 F N 1.488 121.594 119.950 0.259 0.000 2.087 73 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 73 F C 2.073 177.932 175.800 0.099 0.000 1.100 73 F CA 1.195 59.305 58.000 0.184 0.000 1.226 73 F CB -0.536 38.565 39.000 0.168 0.000 0.983 73 F HN -0.149 nan 8.300 nan 0.000 0.479 74 V N -0.731 119.240 119.914 0.095 0.000 3.041 74 V HA -0.160 3.960 4.120 -0.000 0.000 0.260 74 V C 2.110 178.192 176.094 -0.020 0.000 1.105 74 V CA 1.869 64.174 62.300 0.008 0.000 1.125 74 V CB -0.464 31.426 31.823 0.112 0.000 0.730 74 V HN 0.419 nan 8.190 nan 0.000 0.479 75 S N 0.802 116.495 115.700 -0.011 0.000 2.507 75 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 75 S C 1.391 175.941 174.600 -0.083 0.000 0.988 75 S CA 1.391 59.574 58.200 -0.027 0.000 0.944 75 S CB -0.302 62.899 63.200 0.001 0.000 0.762 75 S HN 0.709 nan 8.310 nan 0.000 0.526 76 N N -0.154 118.472 118.700 -0.124 0.000 2.466 76 N HA 0.138 4.878 4.740 -0.000 0.000 0.272 76 N C -1.182 174.238 175.510 -0.150 0.000 1.455 76 N CA -0.384 52.592 53.050 -0.124 0.000 0.875 76 N CB 0.224 38.709 38.487 -0.003 0.000 1.372 76 N HN 0.233 nan 8.380 nan 0.000 0.492 77 Y N 0.528 120.569 120.300 -0.431 0.000 2.323 77 Y HA 0.528 5.078 4.550 -0.000 0.000 0.331 77 Y C -1.254 174.422 175.900 -0.373 0.000 1.092 77 Y CA -1.040 56.822 58.100 -0.397 0.000 1.150 77 Y CB 0.393 38.532 38.460 -0.536 0.000 1.200 77 Y HN -0.068 nan 8.280 nan 0.000 0.472 78 F N 7.121 126.654 119.950 -0.694 0.000 2.366 78 F HA 0.167 4.694 4.527 -0.000 0.000 0.366 78 F C 0.619 175.826 175.800 -0.988 0.000 1.096 78 F CA -1.198 56.414 58.000 -0.647 0.000 1.060 78 F CB 0.420 39.179 39.000 -0.402 0.000 1.282 78 F HN 0.797 nan 8.300 nan 0.000 0.450 79 W N 1.924 122.755 121.300 -0.782 0.000 2.341 79 W HA -0.181 4.479 4.660 -0.000 0.000 0.283 79 W C 0.611 176.988 176.519 -0.237 0.000 1.215 79 W CA 1.424 58.430 57.345 -0.566 0.000 1.211 79 W CB -0.677 28.668 29.460 -0.192 0.000 1.131 79 W HN 0.444 nan 8.180 nan 0.000 0.552 80 E N 1.134 120.736 120.200 -0.997 0.000 2.209 80 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 80 E C 1.559 177.980 176.600 -0.297 0.000 0.993 80 E CA 1.937 57.869 56.400 -0.779 0.000 0.819 80 E CB -0.511 28.712 29.700 -0.794 0.000 0.745 80 E HN 0.159 nan 8.360 nan 0.000 0.477 81 D N -0.525 119.736 120.400 -0.232 0.000 2.310 81 D HA -0.064 4.576 4.640 -0.000 0.000 0.212 81 D C 1.541 177.864 176.300 0.039 0.000 0.965 81 D CA 1.203 55.154 54.000 -0.082 0.000 0.879 81 D CB -0.164 40.609 40.800 -0.045 0.000 0.921 81 D HN 0.308 nan 8.370 nan 0.000 0.510 82 G N 0.179 109.039 108.800 0.099 0.000 3.277 82 G HA2 0.300 4.260 3.960 -0.000 0.000 0.243 82 G HA3 0.300 4.260 3.960 -0.000 0.000 0.243 82 G C 0.523 175.527 174.900 0.174 0.000 1.107 82 G CA 0.037 45.265 45.100 0.213 0.000 0.771 82 G HN 0.207 nan 8.290 nan 0.000 0.544 83 V N -3.541 116.424 119.914 0.083 0.000 3.113 83 V HA 0.996 5.116 4.120 -0.000 0.000 0.316 83 V C 0.642 176.605 176.094 -0.217 0.000 1.125 83 V CA -0.356 61.961 62.300 0.028 0.000 1.026 83 V CB 1.055 32.976 31.823 0.163 0.000 1.080 83 V HN 1.337 nan 8.190 nan 0.000 0.444 84 G N 1.527 109.966 108.800 -0.601 0.000 2.725 84 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.220 84 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.220 84 G C -2.918 171.884 174.900 -0.164 0.000 1.357 84 G CA -0.394 44.305 45.100 -0.669 0.000 0.866 84 G HN 0.992 nan 8.290 nan 0.000 0.548 85 P HA 0.195 nan 4.420 nan 0.000 0.260 85 P C 1.206 178.514 177.300 0.013 0.000 1.172 85 P CA 0.400 63.509 63.100 0.015 0.000 0.760 85 P CB 1.119 32.840 31.700 0.034 0.000 0.773 86 V N 3.916 123.851 119.914 0.034 0.000 2.469 86 V HA -0.286 3.834 4.120 -0.000 0.000 0.251 86 V C 1.496 177.613 176.094 0.038 0.000 1.064 86 V CA 2.176 64.503 62.300 0.046 0.000 1.066 86 V CB -0.775 31.089 31.823 0.067 0.000 0.667 86 V HN 0.502 nan 8.190 nan 0.000 0.461 87 E N 0.112 120.331 120.200 0.031 0.000 2.204 87 E HA -0.149 4.200 4.350 -0.000 0.000 0.194 87 E C 1.550 178.159 176.600 0.014 0.000 0.989 87 E CA 1.408 57.822 56.400 0.024 0.000 0.824 87 E CB -0.288 29.425 29.700 0.022 0.000 0.756 87 E HN 0.633 nan 8.360 nan 0.000 0.477 88 D N 0.181 120.587 120.400 0.011 0.000 2.339 88 D HA 0.036 4.676 4.640 -0.000 0.000 0.217 88 D C -0.029 176.267 176.300 -0.008 0.000 1.050 88 D CA 0.096 54.096 54.000 -0.000 0.000 0.856 88 D CB 0.146 40.947 40.800 0.001 0.000 0.922 88 D HN 0.058 nan 8.370 nan 0.000 0.518 89 R N 2.170 122.672 120.500 0.003 0.000 2.347 89 R HA 0.240 4.580 4.340 -0.000 0.000 0.304 89 R C -2.141 174.163 176.300 0.006 0.000 1.072 89 R CA -1.061 55.044 56.100 0.008 0.000 0.980 89 R CB 0.448 30.771 30.300 0.039 0.000 0.986 89 R HN 0.042 nan 8.270 nan 0.000 0.448 90 P HA 0.204 nan 4.420 nan 0.000 0.281 90 P C -0.871 176.432 177.300 0.005 0.000 1.249 90 P CA -0.647 62.441 63.100 -0.019 0.000 0.810 90 P CB 0.931 32.599 31.700 -0.055 0.000 1.008 91 R N 1.770 122.268 120.500 -0.005 0.000 2.340 91 R HA 0.399 4.739 4.340 -0.000 0.000 0.300 91 R C 0.435 176.734 176.300 -0.001 0.000 1.069 91 R CA -0.342 55.764 56.100 0.009 0.000 0.984 91 R CB 0.554 30.849 30.300 -0.008 0.000 1.003 91 R HN 0.350 nan 8.270 nan 0.000 0.459 92 R N 2.534 123.062 120.500 0.047 0.000 2.803 92 R HA 0.380 4.720 4.340 -0.000 0.000 0.276 92 R C -0.531 175.809 176.300 0.066 0.000 0.978 92 R CA -1.034 55.089 56.100 0.038 0.000 0.939 92 R CB 1.141 31.493 30.300 0.087 0.000 1.179 92 R HN 0.487 nan 8.270 nan 0.000 0.472 93 L N 1.842 123.063 121.223 -0.003 0.000 2.361 93 L HA 0.119 4.459 4.340 -0.000 0.000 0.278 93 L C 0.351 177.357 176.870 0.225 0.000 1.113 93 L CA -0.310 54.541 54.840 0.019 0.000 0.849 93 L CB 0.193 42.113 42.059 -0.231 0.000 1.155 93 L HN 0.449 nan 8.230 nan 0.000 0.452 94 D N 3.750 124.396 120.400 0.411 0.000 2.411 94 D HA 0.198 4.838 4.640 -0.000 0.000 0.225 94 D C 0.962 177.506 176.300 0.407 0.000 1.156 94 D CA -0.280 53.962 54.000 0.402 0.000 0.874 94 D CB 0.928 42.050 40.800 0.538 0.000 1.034 94 D HN 0.379 nan 8.370 nan 0.000 0.502 95 L N 3.052 124.436 121.223 0.269 0.000 2.217 95 L HA -0.007 4.333 4.340 -0.000 0.000 0.211 95 L C 2.325 179.225 176.870 0.050 0.000 1.107 95 L CA 0.768 55.740 54.840 0.219 0.000 0.783 95 L CB -0.577 41.574 42.059 0.152 0.000 0.919 95 L HN 0.447 nan 8.230 nan 0.000 0.442 96 A N 0.095 122.891 122.820 -0.040 0.000 1.883 96 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 96 A C 1.425 178.634 177.584 -0.624 0.000 1.186 96 A CA 1.619 53.422 52.037 -0.391 0.000 0.624 96 A CB -0.647 18.069 19.000 -0.473 0.000 0.822 96 A HN 0.633 nan 8.150 nan 0.000 0.444 97 W N -2.096 119.277 121.300 0.121 0.000 2.599 97 W HA 0.507 5.167 4.660 -0.000 0.000 0.396 97 W C 0.328 176.817 176.519 -0.049 0.000 0.944 97 W CA -0.637 56.735 57.345 0.044 0.000 2.042 97 W CB 0.498 29.994 29.460 0.061 0.000 1.184 97 W HN 0.044 nan 8.180 nan 0.000 0.604 98 K N 0.996 121.390 120.400 -0.010 0.000 3.156 98 K HA -0.206 4.114 4.320 -0.000 0.000 0.266 98 K C -0.601 175.790 176.600 -0.347 0.000 0.966 98 K CA 0.742 56.725 56.287 -0.508 0.000 0.719 98 K CB -1.751 30.378 32.500 -0.619 0.000 1.333 98 K HN 0.093 nan 8.250 nan 0.000 0.468 99 S N -0.303 115.524 115.700 0.212 0.000 2.634 99 S HA 0.635 5.105 4.470 -0.000 0.000 0.296 99 S C -0.258 174.670 174.600 0.547 0.000 1.104 99 S CA -1.084 57.328 58.200 0.354 0.000 0.920 99 S CB 1.723 65.079 63.200 0.260 0.000 1.111 99 S HN 0.138 nan 8.310 nan 0.000 0.493 100 I N 2.420 123.217 120.570 0.379 0.000 2.315 100 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 100 I C 0.190 176.417 176.117 0.183 0.000 1.006 100 I CA -0.319 61.131 61.300 0.250 0.000 1.265 100 I CB 0.901 38.989 38.000 0.147 0.000 1.387 100 I HN 0.657 nan 8.210 nan 0.000 0.475 101 E N 10.386 130.718 120.200 0.221 0.000 2.089 101 E HA 0.303 4.653 4.350 -0.000 0.000 0.284 101 E C -1.910 174.768 176.600 0.130 0.000 1.023 101 E CA -2.036 54.506 56.400 0.237 0.000 0.819 101 E CB 1.181 31.141 29.700 0.434 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 -0.557 176.789 177.300 0.077 0.000 1.177 102 P CA 0.277 63.352 63.100 -0.041 0.000 0.773 102 P CB 0.197 31.757 31.700 -0.233 0.000 0.878 103 N N -0.350 118.478 118.700 0.213 0.000 2.708 103 N HA -0.189 4.551 4.740 -0.000 0.000 0.251 103 N C 0.998 176.663 175.510 0.258 0.000 1.123 103 N CA 0.821 54.043 53.050 0.286 0.000 0.739 103 N CB -1.673 36.947 38.487 0.221 0.000 1.113 103 N HN 0.441 nan 8.380 nan 0.000 0.561 104 Q N -0.333 119.640 119.800 0.289 0.000 2.119 104 Q HA -0.003 4.337 4.340 -0.000 0.000 0.201 104 Q C 0.550 176.605 176.000 0.092 0.000 0.972 104 Q CA 1.008 56.945 55.803 0.222 0.000 0.847 104 Q CB 0.341 29.270 28.738 0.319 0.000 0.903 104 Q HN 0.187 nan 8.270 nan 0.000 0.433 105 V N 0.092 120.072 119.914 0.110 0.000 2.427 105 V HA 0.629 4.749 4.120 -0.000 0.000 0.286 105 V C 0.045 176.293 176.094 0.256 0.000 1.034 105 V CA -0.394 61.881 62.300 -0.041 0.000 0.893 105 V CB 1.481 33.074 31.823 -0.383 0.000 0.982 105 V HN 0.246 nan 8.190 nan 0.000 0.452 106 G N 3.545 112.501 108.800 0.260 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 0.001 175.118 174.900 0.361 0.000 1.358 106 G CA 0.273 45.595 45.100 0.370 0.000 1.305 106 G HN 1.045 nan 8.290 nan 0.000 0.602 107 I N 1.036 121.870 120.570 0.439 0.000 4.631 107 I HA -0.476 3.693 4.170 -0.000 0.000 0.055 107 I C 1.540 177.773 176.117 0.194 0.000 0.621 107 I CA 2.843 64.347 61.300 0.340 0.000 0.762 107 I CB -0.778 37.434 38.000 0.353 0.000 0.704 107 I HN 0.513 nan 8.210 nan 0.000 0.164 108 N N 0.931 119.810 118.700 0.298 0.000 2.104 108 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 108 N C 1.519 177.183 175.510 0.256 0.000 1.024 108 N CA 2.412 55.660 53.050 0.328 0.000 0.853 108 N CB -0.439 38.292 38.487 0.406 0.000 1.008 108 N HN 0.656 nan 8.380 nan 0.000 0.424 109 E N -0.142 120.206 120.200 0.247 0.000 2.046 109 E HA -0.009 4.341 4.350 -0.000 0.000 0.190 109 E C 1.616 178.375 176.600 0.266 0.000 0.982 109 E CA 0.391 56.960 56.400 0.282 0.000 0.800 109 E CB -0.354 29.455 29.700 0.181 0.000 0.756 109 E HN 0.266 nan 8.360 nan 0.000 0.449 110 F N 0.914 120.829 119.950 -0.059 0.000 2.216 110 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 110 F C 2.020 177.707 175.800 -0.189 0.000 1.085 110 F CA 1.153 58.983 58.000 -0.282 0.000 1.326 110 F CB -0.247 38.279 39.000 -0.791 0.000 1.027 110 F HN 0.026 nan 8.300 nan 0.000 0.497 111 A N 0.830 123.612 122.820 -0.063 0.000 1.877 111 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 111 A C 2.144 179.681 177.584 -0.079 0.000 1.186 111 A CA 1.976 53.932 52.037 -0.134 0.000 0.620 111 A CB -0.729 18.108 19.000 -0.271 0.000 0.822 111 A HN 0.554 nan 8.150 nan 0.000 0.443 112 K N -2.377 118.045 120.400 0.036 0.000 2.366 112 K HA -0.110 4.210 4.320 -0.000 0.000 0.198 112 K C 1.746 178.299 176.600 -0.079 0.000 1.044 112 K CA 0.971 57.298 56.287 0.067 0.000 0.973 112 K CB -0.325 32.307 32.500 0.221 0.000 0.767 112 K HN 0.557 nan 8.250 nan 0.000 0.475 113 W N 1.503 122.476 121.300 -0.546 0.000 2.409 113 W HA -0.088 4.572 4.660 -0.000 0.000 0.299 113 W C 1.577 177.674 176.519 -0.703 0.000 1.203 113 W CA 0.840 57.590 57.345 -0.992 0.000 1.298 113 W CB -0.306 28.283 29.460 -1.451 0.000 1.127 113 W HN 0.106 nan 8.180 nan 0.000 0.528 114 C N 0.981 119.920 119.300 -0.601 0.000 2.435 114 C HA -0.134 4.326 4.460 -0.000 0.000 0.279 114 C C 2.710 177.445 174.990 -0.425 0.000 1.321 114 C CA 0.930 59.600 59.018 -0.580 0.000 1.752 114 C CB -1.006 26.485 27.740 -0.416 0.000 1.959 114 C HN 0.222 nan 8.230 nan 0.000 0.500 115 K N 1.231 121.454 120.400 -0.295 0.000 2.063 115 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 115 K C 1.911 178.365 176.600 -0.243 0.000 1.048 115 K CA 1.387 57.558 56.287 -0.193 0.000 0.928 115 K CB -0.324 32.122 32.500 -0.091 0.000 0.713 115 K HN 0.567 nan 8.250 nan 0.000 0.442 116 K N 0.766 120.965 120.400 -0.336 0.000 2.288 116 K HA -0.056 4.264 4.320 -0.000 0.000 0.201 116 K C 1.724 178.064 176.600 -0.433 0.000 1.048 116 K CA 0.994 57.081 56.287 -0.334 0.000 0.956 116 K CB 0.138 32.447 32.500 -0.317 0.000 0.746 116 K HN 0.075 nan 8.250 nan 0.000 0.461 117 V N -1.825 117.716 119.914 -0.622 0.000 3.542 117 V HA 0.156 4.276 4.120 -0.000 0.000 0.296 117 V C -0.346 175.522 176.094 -0.376 0.000 1.364 117 V CA -0.490 61.459 62.300 -0.586 0.000 1.118 117 V CB -0.650 30.612 31.823 -0.935 0.000 0.972 117 V HN 0.266 nan 8.190 nan 0.000 0.430 118 N N 0.864 119.387 118.700 -0.295 0.000 2.740 118 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 118 N C 0.078 175.488 175.510 -0.168 0.000 1.062 118 N CA 1.232 54.168 53.050 -0.189 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 -0.315 122.380 122.820 -0.208 0.000 2.380 119 A HA 0.629 4.949 4.320 -0.000 0.000 0.315 119 A C -0.011 177.503 177.584 -0.116 0.000 1.101 119 A CA -0.657 51.288 52.037 -0.153 0.000 0.771 119 A CB 2.115 21.000 19.000 -0.192 0.000 1.287 119 A HN 0.195 nan 8.150 nan 0.000 0.436 120 E N 1.389 121.555 120.200 -0.056 0.000 2.242 120 E HA 0.495 4.845 4.350 -0.000 0.000 0.275 120 E C -0.971 175.622 176.600 -0.011 0.000 1.002 120 E CA -0.473 55.909 56.400 -0.030 0.000 0.841 120 E CB 0.852 30.549 29.700 -0.005 0.000 1.109 120 E HN 0.573 nan 8.360 nan 0.000 0.394 121 I N 3.987 124.549 120.570 -0.012 0.000 2.474 121 I HA 0.107 4.277 4.170 -0.000 0.000 0.287 121 I C 0.429 176.516 176.117 -0.051 0.000 1.048 121 I CA -0.010 61.301 61.300 0.018 0.000 1.383 121 I CB 0.866 38.868 38.000 0.005 0.000 1.412 121 I HN 0.484 nan 8.210 nan 0.000 0.531 122 M N 7.942 127.535 119.600 -0.011 0.000 2.055 122 M HA 0.356 4.836 4.480 -0.000 0.000 0.346 122 M C -0.805 175.429 176.300 -0.111 0.000 1.074 122 M CA -0.758 54.493 55.300 -0.083 0.000 1.009 122 M CB 0.846 33.436 32.600 -0.016 0.000 1.423 122 M HN 0.521 nan 8.290 nan 0.000 0.410 123 M N 4.919 124.299 119.600 -0.366 0.000 2.146 123 M HA 0.570 5.049 4.480 -0.000 0.000 0.357 123 M C -0.779 175.463 176.300 -0.098 0.000 1.261 123 M CA 0.095 55.185 55.300 -0.349 0.000 1.106 123 M CB 1.048 33.100 32.600 -0.912 0.000 1.612 123 M HN 0.683 nan 8.290 nan 0.000 0.470 124 A N 5.158 127.992 122.820 0.023 0.000 2.301 124 A HA 0.685 5.005 4.320 -0.000 0.000 0.312 124 A C -0.671 177.017 177.584 0.174 0.000 1.182 124 A CA -0.680 51.426 52.037 0.116 0.000 0.826 124 A CB 0.397 19.445 19.000 0.081 0.000 1.134 124 A HN 1.017 nan 8.150 nan 0.000 0.501 125 V N 0.841 120.889 119.914 0.222 0.000 2.713 125 V HA 0.496 4.616 4.120 -0.000 0.000 0.307 125 V C 0.223 176.397 176.094 0.133 0.000 1.052 125 V CA -1.226 61.191 62.300 0.197 0.000 0.967 125 V CB 1.559 33.498 31.823 0.193 0.000 1.019 125 V HN 0.819 nan 8.190 nan 0.000 0.459 126 N N 2.924 121.678 118.700 0.090 0.000 2.406 126 N HA 0.221 4.961 4.740 -0.000 0.000 0.265 126 N C -0.061 175.453 175.510 0.007 0.000 1.203 126 N CA 0.071 53.127 53.050 0.010 0.000 0.945 126 N CB 0.271 38.686 38.487 -0.120 0.000 1.165 126 N HN 0.853 nan 8.380 nan 0.000 0.485 127 L N 2.448 123.698 121.223 0.045 0.000 3.014 127 L HA 0.322 4.662 4.340 -0.000 0.000 0.263 127 L C 1.685 178.584 176.870 0.047 0.000 1.207 127 L CA -0.271 54.607 54.840 0.063 0.000 1.017 127 L CB 0.523 42.674 42.059 0.153 0.000 1.360 127 L HN 0.564 nan 8.230 nan 0.000 0.560 128 G N 0.382 109.184 108.800 0.003 0.000 2.508 128 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.212 128 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.212 128 G C 1.400 176.288 174.900 -0.020 0.000 1.206 128 G CA 1.236 46.332 45.100 -0.007 0.000 0.822 128 G HN 0.329 nan 8.290 nan 0.000 0.550 129 T N -1.845 112.671 114.554 -0.063 0.000 3.054 129 T HA 0.440 4.790 4.350 -0.000 0.000 0.255 129 T C 0.979 175.634 174.700 -0.075 0.000 1.035 129 T CA -0.335 61.735 62.100 -0.051 0.000 0.941 129 T CB 0.427 69.280 68.868 -0.026 0.000 1.026 129 T HN 0.152 nan 8.240 nan 0.000 0.533 130 R N -0.482 119.950 120.500 -0.113 0.000 2.939 130 R HA 0.775 5.115 4.340 -0.000 0.000 0.254 130 R C 0.159 176.435 176.300 -0.039 0.000 1.123 130 R CA -0.913 55.133 56.100 -0.091 0.000 1.020 130 R CB 1.771 31.968 30.300 -0.172 0.000 1.206 130 R HN 0.235 nan 8.270 nan 0.000 0.491 131 G N -0.308 108.478 108.800 -0.024 0.000 3.214 131 G HA2 0.297 4.256 3.960 -0.000 0.000 0.188 131 G HA3 0.297 4.256 3.960 -0.000 0.000 0.188 131 G C 0.714 175.597 174.900 -0.028 0.000 1.126 131 G CA -0.627 44.460 45.100 -0.023 0.000 0.796 131 G HN 0.439 nan 8.290 nan 0.000 0.631 132 I N 1.224 121.769 120.570 -0.043 0.000 2.142 132 I HA -0.179 3.991 4.170 -0.000 0.000 0.240 132 I C 3.137 179.219 176.117 -0.058 0.000 1.078 132 I CA 2.207 63.471 61.300 -0.061 0.000 1.343 132 I CB -0.377 37.579 38.000 -0.073 0.000 1.046 132 I HN 0.460 nan 8.210 nan 0.000 0.405 133 S N 0.266 115.944 115.700 -0.038 0.000 2.399 133 S HA -0.187 4.283 4.470 -0.000 0.000 0.231 133 S C 1.594 176.176 174.600 -0.029 0.000 1.022 133 S CA 1.347 59.529 58.200 -0.031 0.000 0.983 133 S CB -0.543 62.656 63.200 -0.002 0.000 0.803 133 S HN 0.412 nan 8.310 nan 0.000 0.480 134 D N 2.263 122.667 120.400 0.007 0.000 2.149 134 D HA 0.074 4.714 4.640 -0.000 0.000 0.201 134 D C 2.281 178.599 176.300 0.031 0.000 0.972 134 D CA 1.284 55.332 54.000 0.080 0.000 0.835 134 D CB -0.464 40.398 40.800 0.102 0.000 0.966 134 D HN 0.593 nan 8.370 nan 0.000 0.476 135 A N 0.705 123.501 122.820 -0.039 0.000 1.930 135 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 135 A C 2.538 179.993 177.584 -0.215 0.000 1.175 135 A CA 0.941 52.913 52.037 -0.107 0.000 0.627 135 A CB -0.855 18.095 19.000 -0.083 0.000 0.815 135 A HN 0.298 nan 8.150 nan 0.000 0.443 136 C N -0.187 119.006 119.300 -0.179 0.000 2.429 136 C HA -0.090 4.369 4.460 -0.000 0.000 0.277 136 C C 2.672 177.520 174.990 -0.237 0.000 1.262 136 C CA 1.139 60.038 59.018 -0.198 0.000 1.733 136 C CB -1.425 26.235 27.740 -0.133 0.000 2.010 136 C HN 0.650 nan 8.230 nan 0.000 0.483 137 N N 1.093 119.625 118.700 -0.279 0.000 2.069 137 N HA -0.110 4.630 4.740 -0.000 0.000 0.191 137 N C 1.471 176.696 175.510 -0.475 0.000 1.031 137 N CA 1.019 53.751 53.050 -0.529 0.000 0.852 137 N CB -0.724 37.398 38.487 -0.609 0.000 1.018 137 N HN 0.359 nan 8.380 nan 0.000 0.423 138 L N 0.666 121.528 121.223 -0.602 0.000 2.093 138 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 138 L C 1.975 178.680 176.870 -0.276 0.000 1.085 138 L CA 1.118 55.421 54.840 -0.895 0.000 0.755 138 L CB -0.823 40.663 42.059 -0.955 0.000 0.904 138 L HN 0.113 nan 8.230 nan 0.000 0.435 139 L N -0.280 120.737 121.223 -0.344 0.000 2.046 139 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 139 L C 2.473 179.303 176.870 -0.065 0.000 1.077 139 L CA 2.052 56.661 54.840 -0.385 0.000 0.747 139 L CB -0.822 40.837 42.059 -0.667 0.000 0.896 139 L HN 0.523 nan 8.230 nan 0.000 0.432 140 E N -1.579 118.588 120.200 -0.055 0.000 2.051 140 E HA -0.321 4.029 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 1.566 58.010 56.400 0.073 0.000 0.799 140 E CB -0.451 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 0.622 120.960 120.300 0.064 0.000 2.114 141 Y HA -0.319 4.231 4.550 -0.000 0.000 0.282 141 Y C 2.309 178.314 175.900 0.174 0.000 1.165 141 Y CA 2.038 60.225 58.100 0.146 0.000 1.148 141 Y CB -0.394 38.085 38.460 0.032 0.000 0.972 141 Y HN 0.214 nan 8.280 nan 0.000 0.504 142 C N -0.306 119.250 119.300 0.427 0.000 2.492 142 C HA 0.009 4.468 4.460 -0.000 0.000 0.279 142 C C 2.091 177.266 174.990 0.309 0.000 1.335 142 C CA 1.136 60.443 59.018 0.482 0.000 1.734 142 C CB -0.938 27.179 27.740 0.627 0.000 2.027 142 C HN 0.587 nan 8.230 nan 0.000 0.496 143 N N -1.529 117.329 118.700 0.263 0.000 2.407 143 N HA 0.042 4.782 4.740 -0.000 0.000 0.182 143 N C 0.489 176.074 175.510 0.125 0.000 1.079 143 N CA 0.196 53.366 53.050 0.199 0.000 0.882 143 N CB -0.307 38.309 38.487 0.215 0.000 1.106 143 N HN 0.529 nan 8.380 nan 0.000 0.461 144 H N 1.688 120.789 119.070 0.051 0.000 2.722 144 H HA 0.089 4.645 4.556 -0.000 0.000 0.328 144 H C -1.551 173.780 175.328 0.005 0.000 1.067 144 H CA -1.205 54.860 56.048 0.027 0.000 1.447 144 H CB 1.648 31.429 29.762 0.031 0.000 1.469 144 H HN -0.017 nan 8.280 nan 0.000 0.544 145 P HA -0.029 nan 4.420 nan 0.000 0.215 145 P C 0.117 177.415 177.300 -0.003 0.000 1.157 145 P CA 1.405 64.438 63.100 -0.112 0.000 0.868 145 P CB 0.393 31.988 31.700 -0.175 0.000 0.788 146 G N -5.094 103.772 108.800 0.109 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 -0.099 174.902 174.900 0.169 0.000 1.356 146 G CA 0.251 45.423 45.100 0.121 0.000 0.833 146 G HN 0.355 nan 8.290 nan 0.000 0.552 147 G N -1.584 107.268 108.800 0.086 0.000 2.132 147 G HA2 0.278 4.237 3.960 -0.000 0.000 0.234 147 G HA3 0.278 4.237 3.960 -0.000 0.000 0.234 147 G C 0.484 175.407 174.900 0.037 0.000 0.989 147 G CA 1.341 46.480 45.100 0.064 0.000 0.676 147 G HN 2.450 nan 8.290 nan 0.000 0.522 148 S N -1.923 113.785 115.700 0.014 0.000 2.651 148 S HA 0.727 5.197 4.470 -0.000 0.000 0.279 148 S C 0.923 175.507 174.600 -0.027 0.000 1.148 148 S CA 0.234 58.413 58.200 -0.035 0.000 0.837 148 S CB 1.958 65.078 63.200 -0.134 0.000 1.138 148 S HN 0.363 nan 8.310 nan 0.000 0.478 149 K N -0.128 120.246 120.400 -0.044 0.000 2.015 149 K HA -0.200 4.120 4.320 -0.000 0.000 0.216 149 K C 1.262 177.754 176.600 -0.180 0.000 1.052 149 K CA 2.207 58.405 56.287 -0.148 0.000 0.937 149 K CB -0.489 31.867 32.500 -0.240 0.000 0.719 149 K HN 0.732 nan 8.250 nan 0.000 0.446 150 Y N 0.273 120.626 120.300 0.088 0.000 2.448 150 Y HA -0.047 4.503 4.550 -0.000 0.000 0.289 150 Y C 2.691 178.630 175.900 0.064 0.000 1.114 150 Y CA 0.957 59.175 58.100 0.197 0.000 1.235 150 Y CB 0.117 38.760 38.460 0.305 0.000 1.045 150 Y HN 0.265 nan 8.280 nan 0.000 0.554 151 S N -0.563 115.213 115.700 0.126 0.000 2.371 151 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 151 S C 1.470 176.028 174.600 -0.069 0.000 1.029 151 S CA 1.396 59.609 58.200 0.023 0.000 0.978 151 S CB -0.405 62.880 63.200 0.142 0.000 0.833 151 S HN 0.275 nan 8.310 nan 0.000 0.466 152 D N 1.201 121.574 120.400 -0.046 0.000 2.178 152 D HA 0.016 4.656 4.640 -0.000 0.000 0.201 152 D C 1.794 178.007 176.300 -0.144 0.000 0.980 152 D CA 0.839 54.793 54.000 -0.076 0.000 0.842 152 D CB -0.364 40.404 40.800 -0.054 0.000 0.948 152 D HN 0.405 nan 8.370 nan 0.000 0.472 153 M N -0.010 119.493 119.600 -0.162 0.000 2.117 153 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 153 M C 2.207 178.197 176.300 -0.518 0.000 1.065 153 M CA 1.241 56.378 55.300 -0.272 0.000 1.114 153 M CB 0.184 32.789 32.600 0.008 0.000 1.361 153 M HN -0.142 nan 8.290 nan 0.000 0.408 154 R N 0.501 120.672 120.500 -0.549 0.000 2.081 154 R HA -0.139 4.200 4.340 -0.000 0.000 0.235 154 R C 1.896 178.068 176.300 -0.213 0.000 1.131 154 R CA 1.686 57.433 56.100 -0.588 0.000 0.960 154 R CB -0.455 29.324 30.300 -0.868 0.000 0.856 154 R HN 0.421 nan 8.270 nan 0.000 0.436 155 I N 0.947 121.406 120.570 -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 1.446 62.694 61.300 -0.087 0.000 1.363 155 I CB -0.264 37.694 38.000 -0.069 0.000 1.051 155 I HN 0.198 nan 8.210 nan 0.000 0.413 156 K N 0.452 120.796 120.400 -0.093 0.000 2.147 156 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 156 K C 1.841 178.497 176.600 0.092 0.000 1.049 156 K CA 1.461 57.726 56.287 -0.036 0.000 0.936 156 K CB -0.142 32.303 32.500 -0.091 0.000 0.722 156 K HN 0.492 nan 8.250 nan 0.000 0.446 157 H N -1.960 117.173 119.070 0.105 0.000 2.556 157 H HA 0.083 4.639 4.556 -0.000 0.000 0.268 157 H C 0.862 176.272 175.328 0.137 0.000 0.996 157 H CA 0.134 56.276 56.048 0.157 0.000 1.157 157 H CB 0.572 30.497 29.762 0.271 0.000 1.355 157 H HN 0.547 nan 8.280 nan 0.000 0.597 158 G N 0.405 109.321 108.800 0.193 0.000 2.184 158 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.206 158 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.206 158 G C -0.099 174.869 174.900 0.114 0.000 0.995 158 G CA 0.016 45.200 45.100 0.140 0.000 0.651 158 G HN 0.171 nan 8.290 nan 0.000 0.511 159 V N 2.352 122.324 119.914 0.097 0.000 2.275 159 V HA 0.417 4.537 4.120 -0.000 0.000 0.272 159 V C 1.395 177.466 176.094 -0.039 0.000 1.028 159 V CA -0.339 61.984 62.300 0.038 0.000 0.810 159 V CB 1.346 33.192 31.823 0.038 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 0.011 4.331 4.320 -0.000 0.000 0.208 160 K C 0.775 177.341 176.600 -0.057 0.000 1.048 160 K CA 1.047 57.314 56.287 -0.032 0.000 0.932 160 K CB 0.392 32.886 32.500 -0.009 0.000 0.715 160 K HN 0.565 nan 8.250 nan 0.000 0.437 161 E N 2.114 122.280 120.200 -0.056 0.000 2.313 161 E HA 0.169 4.519 4.350 -0.000 0.000 0.276 161 E C -2.247 174.275 176.600 -0.130 0.000 1.031 161 E CA -2.414 53.947 56.400 -0.064 0.000 0.857 161 E CB 0.771 30.454 29.700 -0.029 0.000 1.040 161 E HN 0.225 nan 8.360 nan 0.000 0.408 162 P HA 0.021 nan 4.420 nan 0.000 0.269 162 P C 0.543 177.799 177.300 -0.074 0.000 1.209 162 P CA -0.020 63.011 63.100 -0.115 0.000 0.776 162 P CB 0.669 32.357 31.700 -0.019 0.000 0.876 163 H N 0.992 120.131 119.070 0.114 0.000 2.457 163 H HA -0.068 4.488 4.556 -0.000 0.000 0.294 163 H C 0.349 175.741 175.328 0.106 0.000 1.064 163 H CA 0.784 56.901 56.048 0.114 0.000 1.330 163 H CB -0.480 29.369 29.762 0.146 0.000 1.395 163 H HN 0.464 nan 8.280 nan 0.000 0.541 164 N N 0.392 119.231 118.700 0.232 0.000 2.696 164 N HA -0.179 4.561 4.740 -0.000 0.000 0.256 164 N C -0.721 174.916 175.510 0.211 0.000 1.031 164 N CA 0.343 53.512 53.050 0.199 0.000 0.730 164 N CB -1.812 36.751 38.487 0.126 0.000 0.894 164 N HN 0.360 nan 8.380 nan 0.000 0.544 165 I N 0.702 121.433 120.570 0.270 0.000 2.517 165 I HA -0.069 4.101 4.170 -0.000 0.000 0.285 165 I C 1.616 177.908 176.117 0.292 0.000 1.106 165 I CA 0.226 61.607 61.300 0.136 0.000 1.402 165 I CB 0.663 38.548 38.000 -0.191 0.000 1.399 165 I HN 0.113 nan 8.210 nan 0.000 0.535 166 K N 4.224 124.724 120.400 0.167 0.000 2.166 166 K HA 0.149 4.469 4.320 -0.000 0.000 0.201 166 K C -0.112 176.663 176.600 0.291 0.000 1.052 166 K CA 0.661 57.086 56.287 0.230 0.000 0.969 166 K CB 0.371 32.959 32.500 0.147 0.000 0.761 166 K HN 0.378 nan 8.250 nan 0.000 0.459 167 V N 1.186 121.194 119.914 0.156 0.000 2.417 167 V HA 0.297 4.417 4.120 -0.000 0.000 0.291 167 V C -1.322 174.814 176.094 0.070 0.000 1.024 167 V CA -0.844 61.573 62.300 0.195 0.000 0.861 167 V CB 0.936 32.821 31.823 0.103 0.000 0.985 167 V HN 0.158 nan 8.190 nan 0.000 0.436 168 W N 2.600 123.973 121.300 0.122 0.000 2.736 168 W HA 0.622 5.282 4.660 -0.000 0.000 0.335 168 W C -0.531 176.057 176.519 0.115 0.000 1.059 168 W CA -0.561 56.847 57.345 0.106 0.000 1.226 168 W CB 1.692 31.204 29.460 0.086 0.000 1.416 168 W HN 0.444 nan 8.180 nan 0.000 0.505 169 C N 3.696 123.172 119.300 0.294 0.000 2.285 169 C HA 0.402 4.862 4.460 -0.000 0.000 0.335 169 C C 0.701 175.846 174.990 0.258 0.000 1.267 169 C CA -0.802 58.356 59.018 0.234 0.000 1.762 169 C CB -0.673 27.153 27.740 0.143 0.000 2.365 169 C HN 0.463 nan 8.230 nan 0.000 0.527 170 L N 5.037 126.418 121.223 0.264 0.000 2.382 170 L HA 0.394 4.734 4.340 -0.000 0.000 0.259 170 L C 1.220 178.283 176.870 0.322 0.000 1.291 170 L CA 0.705 55.703 54.840 0.264 0.000 1.176 170 L CB -1.325 40.872 42.059 0.229 0.000 1.373 170 L HN 1.143 nan 8.230 nan 0.000 0.426 171 G N 1.953 110.892 108.800 0.231 0.000 2.741 171 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.222 171 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.222 171 G C -0.793 174.185 174.900 0.131 0.000 1.364 171 G CA -0.459 44.747 45.100 0.177 0.000 0.866 171 G HN 0.591 nan 8.290 nan 0.000 0.555 172 N N -0.507 118.241 118.700 0.081 0.000 2.362 172 N HA 0.711 5.451 4.740 -0.000 0.000 0.299 172 N C 0.505 176.009 175.510 -0.011 0.000 1.170 172 N CA 0.554 53.654 53.050 0.084 0.000 0.825 172 N CB 1.521 40.088 38.487 0.133 0.000 1.299 172 N HN 1.700 nan 8.380 nan 0.000 0.502 173 A N 1.933 124.751 122.820 -0.005 0.000 2.583 173 A HA -0.004 4.316 4.320 -0.000 0.000 0.249 173 A C 0.486 177.945 177.584 -0.208 0.000 1.035 173 A CA 0.868 52.795 52.037 -0.183 0.000 0.777 173 A CB -0.530 18.369 19.000 -0.170 0.000 0.942 173 A HN 0.827 nan 8.150 nan 0.000 0.516 174 M N 1.880 121.280 119.600 -0.334 0.000 2.596 174 M HA 0.073 4.553 4.480 -0.000 0.000 0.364 174 M C 0.460 176.598 176.300 -0.270 0.000 1.158 174 M CA 0.028 55.187 55.300 -0.235 0.000 0.940 174 M CB 0.487 33.013 32.600 -0.124 0.000 1.388 174 M HN 0.887 nan 8.290 nan 0.000 0.522 175 D N -0.710 119.348 120.400 -0.569 0.000 2.349 175 D HA 0.043 4.683 4.640 -0.000 0.000 0.215 175 D C 0.838 176.950 176.300 -0.313 0.000 1.016 175 D CA 0.205 53.925 54.000 -0.467 0.000 0.870 175 D CB -0.140 40.104 40.800 -0.926 0.000 0.917 175 D HN 0.209 nan 8.370 nan 0.000 0.524 176 G N 1.618 109.995 108.800 -0.704 0.000 2.390 176 G HA2 0.350 4.310 3.960 -0.000 0.000 0.270 176 G HA3 0.350 4.310 3.960 -0.000 0.000 0.270 176 G C -1.578 172.604 174.900 -1.196 0.000 1.211 176 G CA -1.178 42.975 45.100 -1.578 0.000 0.842 176 G HN -0.077 nan 8.290 nan 0.000 0.519 177 P HA -0.024 nan 4.420 nan 0.000 0.242 177 P C 0.683 177.821 177.300 -0.270 0.000 1.197 177 P CA 0.475 63.256 63.100 -0.532 0.000 0.765 177 P CB 0.020 31.554 31.700 -0.277 0.000 0.936 178 W N -1.134 120.101 121.300 -0.109 0.000 3.211 178 W HA 0.374 5.034 4.660 -0.000 0.000 0.292 178 W C 0.549 177.009 176.519 -0.098 0.000 1.268 178 W CA -0.425 56.861 57.345 -0.099 0.000 1.702 178 W CB -0.729 28.671 29.460 -0.101 0.000 1.092 178 W HN -0.177 nan 8.180 nan 0.000 0.643 179 Q N 1.813 121.406 119.800 -0.345 0.000 2.271 179 Q HA 0.319 4.659 4.340 -0.000 0.000 0.258 179 Q C -0.240 175.712 176.000 -0.080 0.000 0.936 179 Q CA -0.747 54.962 55.803 -0.155 0.000 0.909 179 Q CB 2.784 31.390 28.738 -0.220 0.000 1.253 179 Q HN 0.003 nan 8.270 nan 0.000 0.440 180 V N 3.705 123.603 119.914 -0.026 0.000 2.585 180 V HA 0.310 4.430 4.120 -0.000 0.000 0.296 180 V C 0.784 176.880 176.094 0.002 0.000 1.035 180 V CA 1.757 64.056 62.300 -0.001 0.000 1.084 180 V CB 0.298 32.129 31.823 0.012 0.000 0.953 180 V HN 1.069 nan 8.190 nan 0.000 0.483 181 G N 4.058 112.871 108.800 0.021 0.000 2.182 181 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.248 181 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.248 181 G C 0.261 175.175 174.900 0.023 0.000 1.042 181 G CA 0.443 45.554 45.100 0.020 0.000 0.775 181 G HN 1.657 nan 8.290 nan 0.000 0.501 182 H N 0.932 119.964 119.070 -0.063 0.000 3.034 182 H HA 0.337 4.893 4.556 -0.000 0.000 0.324 182 H C -0.101 175.227 175.328 -0.000 0.000 1.015 182 H CA 0.571 56.570 56.048 -0.081 0.000 1.429 182 H CB 0.541 30.220 29.762 -0.138 0.000 1.429 182 H HN 0.200 nan 8.280 nan 0.000 0.585 183 K N 3.770 123.857 120.400 -0.520 0.000 2.267 183 K HA 0.196 4.515 4.320 -0.000 0.000 0.246 183 K C 0.185 176.584 176.600 -0.336 0.000 0.954 183 K CA -0.829 55.273 56.287 -0.309 0.000 0.824 183 K CB 1.946 34.454 32.500 0.013 0.000 1.167 183 K HN 0.771 nan 8.250 nan 0.000 0.431 184 T N -1.884 112.578 114.554 -0.152 0.000 2.849 184 T HA 0.148 4.498 4.350 -0.000 0.000 0.284 184 T C 1.793 176.452 174.700 -0.067 0.000 1.004 184 T CA -0.629 61.474 62.100 0.005 0.000 1.021 184 T CB 0.422 69.293 68.868 0.006 0.000 1.013 184 T HN 0.697 nan 8.240 nan 0.000 0.527 185 M N 0.113 119.644 119.600 -0.115 0.000 2.149 185 M HA -0.096 4.383 4.480 -0.000 0.000 0.261 185 M C 1.090 177.187 176.300 -0.338 0.000 1.064 185 M CA 1.807 56.765 55.300 -0.571 0.000 1.102 185 M CB -0.752 31.677 32.600 -0.285 0.000 1.369 185 M HN 0.503 nan 8.290 nan 0.000 0.408 186 D N 1.010 121.330 120.400 -0.133 0.000 2.162 186 D HA -0.082 4.558 4.640 -0.000 0.000 0.203 186 D C 1.913 178.042 176.300 -0.285 0.000 0.967 186 D CA 1.296 55.236 54.000 -0.100 0.000 0.840 186 D CB -0.151 40.659 40.800 0.016 0.000 0.972 186 D HN 0.605 nan 8.370 nan 0.000 0.482 187 E N -0.054 120.032 120.200 -0.189 0.000 2.051 187 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 187 E C 2.002 178.491 176.600 -0.185 0.000 0.991 187 E CA 0.779 57.077 56.400 -0.171 0.000 0.799 187 E CB -0.144 29.500 29.700 -0.093 0.000 0.748 187 E HN 0.278 nan 8.360 nan 0.000 0.449 188 Y N 0.977 121.107 120.300 -0.283 0.000 2.200 188 Y HA -0.089 4.461 4.550 -0.000 0.000 0.290 188 Y C 2.192 177.917 175.900 -0.293 0.000 1.137 188 Y CA 1.640 59.593 58.100 -0.244 0.000 1.163 188 Y CB -0.722 37.615 38.460 -0.205 0.000 0.988 188 Y HN -0.000 nan 8.280 nan 0.000 0.518 189 G N 0.858 109.345 108.800 -0.522 0.000 2.476 189 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 189 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 189 G C 1.838 176.326 174.900 -0.687 0.000 1.164 189 G CA 0.987 45.771 45.100 -0.527 0.000 0.768 189 G HN 0.250 nan 8.290 nan 0.000 0.560 190 R N -0.295 119.704 120.500 -0.835 0.000 2.066 190 R HA 0.056 4.396 4.340 -0.000 0.000 0.232 190 R C 2.513 178.579 176.300 -0.389 0.000 1.131 190 R CA 0.845 56.563 56.100 -0.636 0.000 0.955 190 R CB -0.951 29.019 30.300 -0.549 0.000 0.851 190 R HN 0.463 nan 8.270 nan 0.000 0.432 191 I N 1.058 121.416 120.570 -0.353 0.000 2.315 191 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 191 I C 2.105 178.051 176.117 -0.285 0.000 1.117 191 I CA 1.162 62.312 61.300 -0.250 0.000 1.404 191 I CB -0.261 37.652 38.000 -0.144 0.000 1.071 191 I HN 0.105 nan 8.210 nan 0.000 0.419 192 A N -0.302 122.229 122.820 -0.482 0.000 1.898 192 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 192 A C 2.368 179.803 177.584 -0.247 0.000 1.181 192 A CA 1.830 53.601 52.037 -0.443 0.000 0.620 192 A CB -0.824 17.695 19.000 -0.803 0.000 0.819 192 A HN 0.570 nan 8.150 nan 0.000 0.442 193 E N -0.431 119.627 120.200 -0.236 0.000 2.058 193 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 193 E C 1.800 178.266 176.600 -0.224 0.000 0.997 193 E CA 1.468 57.784 56.400 -0.140 0.000 0.801 193 E CB -0.078 29.575 29.700 -0.077 0.000 0.746 193 E HN 0.532 nan 8.360 nan 0.000 0.450 194 E N -0.116 119.951 120.200 -0.222 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 1.243 57.512 56.400 -0.219 0.000 0.809 194 E CB -0.482 29.113 29.700 -0.175 0.000 0.756 194 E HN 0.279 nan 8.360 nan 0.000 0.459 195 T N 1.505 115.962 114.554 -0.163 0.000 2.708 195 T HA -0.113 4.237 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 1.595 63.618 62.100 -0.129 0.000 1.146 195 T CB -0.239 68.575 68.868 -0.090 0.000 0.865 195 T HN 0.269 nan 8.240 nan 0.000 0.435 196 A N 1.692 124.438 122.820 -0.122 0.000 1.902 196 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 196 A C 2.318 179.824 177.584 -0.130 0.000 1.181 196 A CA 1.705 53.697 52.037 -0.076 0.000 0.623 196 A CB -0.614 18.389 19.000 0.006 0.000 0.818 196 A HN 0.387 nan 8.150 nan 0.000 0.443 197 R N -0.455 119.857 120.500 -0.314 0.000 2.091 197 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 197 R C 2.293 178.457 176.300 -0.228 0.000 1.136 197 R CA 1.530 57.349 56.100 -0.469 0.000 0.959 197 R CB -0.375 29.503 30.300 -0.704 0.000 0.856 197 R HN 0.463 nan 8.270 nan 0.000 0.437 198 A N 0.547 123.252 122.820 -0.191 0.000 1.929 198 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 198 A C 2.193 179.701 177.584 -0.127 0.000 1.176 198 A CA 1.184 53.137 52.037 -0.139 0.000 0.628 198 A CB -0.328 18.594 19.000 -0.129 0.000 0.816 198 A HN 0.316 nan 8.150 nan 0.000 0.444 199 M N -0.641 118.871 119.600 -0.147 0.000 2.117 199 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 199 M C 1.892 178.112 176.300 -0.134 0.000 1.065 199 M CA 1.494 56.683 55.300 -0.184 0.000 1.114 199 M CB -0.262 32.191 32.600 -0.245 0.000 1.361 199 M HN 0.254 nan 8.290 nan 0.000 0.408 200 K N -0.167 120.188 120.400 -0.075 0.000 2.504 200 K HA 0.004 4.324 4.320 -0.000 0.000 0.195 200 K C 1.668 178.264 176.600 -0.007 0.000 1.036 200 K CA 0.713 56.989 56.287 -0.018 0.000 0.984 200 K CB 0.011 32.539 32.500 0.048 0.000 0.788 200 K HN 0.427 nan 8.250 nan 0.000 0.488 201 M N -0.127 119.456 119.600 -0.029 0.000 2.388 201 M HA -0.021 4.459 4.480 -0.000 0.000 0.265 201 M C 1.825 178.119 176.300 -0.010 0.000 1.088 201 M CA 1.151 56.441 55.300 -0.016 0.000 1.134 201 M CB 0.053 32.635 32.600 -0.030 0.000 1.384 201 M HN 0.097 nan 8.290 nan 0.000 0.447 202 I N -0.761 119.790 120.570 -0.031 0.000 2.339 202 I HA -0.092 4.078 4.170 -0.000 0.000 0.245 202 I C 0.439 176.568 176.117 0.022 0.000 1.096 202 I CA 0.813 62.108 61.300 -0.008 0.000 1.408 202 I CB 0.207 38.175 38.000 -0.054 0.000 1.092 202 I HN 0.101 nan 8.210 nan 0.000 0.423 203 D N -0.100 120.291 120.400 -0.015 0.000 2.402 203 D HA 0.204 4.844 4.640 -0.000 0.000 0.252 203 D C -2.125 174.180 176.300 0.009 0.000 1.294 203 D CA -1.875 52.130 54.000 0.007 0.000 0.948 203 D CB 1.723 42.526 40.800 0.005 0.000 1.202 203 D HN -0.144 nan 8.370 nan 0.000 0.561 204 P HA -0.042 nan 4.420 nan 0.000 0.233 204 P C 1.180 178.507 177.300 0.044 0.000 1.167 204 P CA 0.578 63.698 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 -0.565 115.167 115.700 0.053 0.000 2.527 205 S HA -0.004 4.466 4.470 -0.000 0.000 0.222 205 S C 1.026 175.686 174.600 0.100 0.000 0.985 205 S CA -0.353 57.888 58.200 0.069 0.000 0.921 205 S CB -1.356 61.885 63.200 0.068 0.000 0.772 205 S HN 0.209 nan 8.310 nan 0.000 0.529 206 I N -0.473 120.163 120.570 0.111 0.000 2.882 206 I HA 0.477 4.647 4.170 -0.000 0.000 0.286 206 I C -0.202 176.020 176.117 0.175 0.000 1.139 206 I CA -0.643 60.766 61.300 0.180 0.000 1.379 206 I CB 0.511 38.614 38.000 0.172 0.000 1.410 206 I HN 0.010 nan 8.210 nan 0.000 0.594 207 E N 4.330 124.684 120.200 0.256 0.000 2.212 207 E HA 0.647 4.997 4.350 -0.000 0.000 0.268 207 E C -1.317 175.478 176.600 0.325 0.000 0.902 207 E CA -0.820 55.733 56.400 0.255 0.000 0.779 207 E CB 2.638 32.542 29.700 0.341 0.000 1.172 207 E HN 0.496 nan 8.360 nan 0.000 0.409 208 L N 1.985 123.365 121.223 0.261 0.000 2.365 208 L HA 0.493 4.833 4.340 -0.000 0.000 0.273 208 L C -0.888 176.169 176.870 0.312 0.000 1.000 208 L CA -1.101 53.902 54.840 0.271 0.000 0.819 208 L CB 1.966 44.126 42.059 0.168 0.000 1.284 208 L HN 0.245 nan 8.230 nan 0.000 0.418 209 V N 2.237 122.346 119.914 0.324 0.000 2.370 209 V HA 0.601 4.721 4.120 -0.000 0.000 0.283 209 V C 0.359 176.613 176.094 0.266 0.000 1.023 209 V CA -0.600 61.890 62.300 0.316 0.000 0.857 209 V CB 1.436 33.414 31.823 0.259 0.000 0.985 209 V HN 0.837 nan 8.190 nan 0.000 0.443 210 A N 3.940 126.909 122.820 0.250 0.000 2.331 210 A HA 0.480 4.800 4.320 -0.000 0.000 0.283 210 A C 0.169 177.966 177.584 0.356 0.000 1.142 210 A CA -0.296 51.923 52.037 0.303 0.000 0.812 210 A CB 0.320 19.449 19.000 0.214 0.000 1.074 210 A HN 0.875 nan 8.150 nan 0.000 0.497 211 C N 2.665 122.254 119.300 0.481 0.000 2.632 211 C HA 0.515 4.975 4.460 -0.000 0.000 0.415 211 C C 1.518 176.752 174.990 0.407 0.000 1.332 211 C CA 0.241 59.426 59.018 0.278 0.000 1.874 211 C CB -0.428 27.314 27.740 0.004 0.000 2.596 211 C HN 1.002 nan 8.230 nan 0.000 0.590 212 G N 2.831 111.732 108.800 0.168 0.000 2.510 212 G HA2 0.453 4.413 3.960 -0.000 0.000 0.280 212 G HA3 0.453 4.413 3.960 -0.000 0.000 0.280 212 G C -0.104 174.648 174.900 -0.247 0.000 1.386 212 G CA -0.284 44.925 45.100 0.183 0.000 1.047 212 G HN 0.754 nan 8.290 nan 0.000 0.527 213 S N -0.905 114.649 115.700 -0.244 0.000 2.584 213 S HA 0.168 4.638 4.470 -0.000 0.000 0.270 213 S C 1.770 176.144 174.600 -0.378 0.000 1.346 213 S CA -0.153 57.774 58.200 -0.455 0.000 1.018 213 S CB 1.451 64.611 63.200 -0.066 0.000 0.899 213 S HN 0.547 nan 8.310 nan 0.000 0.542 214 S N 1.352 116.873 115.700 -0.297 0.000 2.359 214 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 214 S C 0.988 175.597 174.600 0.016 0.000 1.035 214 S CA 1.090 59.270 58.200 -0.034 0.000 1.018 214 S CB -0.215 63.141 63.200 0.260 0.000 0.876 214 S HN 0.912 nan 8.310 nan 0.000 0.448 215 S N 0.129 115.781 115.700 -0.080 0.000 2.638 215 S HA 0.448 4.918 4.470 -0.000 0.000 0.274 215 S C 0.067 174.399 174.600 -0.447 0.000 1.157 215 S CA -0.958 57.105 58.200 -0.227 0.000 0.826 215 S CB 1.667 64.780 63.200 -0.145 0.000 1.139 215 S HN 0.280 nan 8.310 nan 0.000 0.474 216 K N -0.223 119.662 120.400 -0.858 0.000 2.439 216 K HA 0.059 4.378 4.320 -0.000 0.000 0.197 216 K C 0.108 176.426 176.600 -0.470 0.000 1.041 216 K CA 1.044 56.622 56.287 -1.182 0.000 0.970 216 K CB -0.337 31.277 32.500 -1.476 0.000 0.773 216 K HN 0.491 nan 8.250 nan 0.000 0.479 217 D N 0.608 120.841 120.400 -0.279 0.000 2.347 217 D HA 0.015 4.655 4.640 -0.000 0.000 0.213 217 D C 0.362 176.656 176.300 -0.011 0.000 0.985 217 D CA 0.385 54.324 54.000 -0.101 0.000 0.879 217 D CB 0.146 40.893 40.800 -0.089 0.000 0.919 217 D HN 0.194 nan 8.370 nan 0.000 0.526 218 M N 1.301 120.900 119.600 -0.003 0.000 2.252 218 M HA 0.037 4.517 4.480 -0.000 0.000 0.348 218 M C -1.445 174.925 176.300 0.117 0.000 1.334 218 M CA -1.387 53.947 55.300 0.056 0.000 1.071 218 M CB 0.409 33.023 32.600 0.022 0.000 1.763 218 M HN -0.250 nan 8.290 nan 0.000 0.452 219 P HA -0.085 nan 4.420 nan 0.000 0.222 219 P C 1.050 178.436 177.300 0.143 0.000 1.147 219 P CA 1.217 64.384 63.100 0.113 0.000 0.790 219 P CB -0.109 31.640 31.700 0.082 0.000 0.780 220 T N -5.104 109.548 114.554 0.163 0.000 3.129 220 T HA 0.052 4.402 4.350 -0.000 0.000 0.251 220 T C 0.291 175.151 174.700 0.267 0.000 1.117 220 T CA -0.347 61.879 62.100 0.209 0.000 1.034 220 T CB -0.965 68.059 68.868 0.260 0.000 0.968 220 T HN -0.072 nan 8.240 nan 0.000 0.526 221 F N 4.247 124.262 119.950 0.108 0.000 2.412 221 F HA 0.466 4.993 4.527 -0.000 0.000 0.348 221 F C -2.062 173.808 175.800 0.117 0.000 1.102 221 F CA -2.495 55.580 58.000 0.125 0.000 1.196 221 F CB 1.489 40.540 39.000 0.084 0.000 1.144 221 F HN -0.103 nan 8.300 nan 0.000 0.541 222 P HA 0.100 nan 4.420 nan 0.000 0.250 222 P C -0.115 177.074 177.300 -0.185 0.000 1.808 222 P CA 0.142 62.722 63.100 -0.866 0.000 1.117 222 P CB 0.715 31.685 31.700 -1.217 0.000 1.602 223 Q N -1.115 118.695 119.800 0.016 0.000 2.304 223 Q HA -0.030 4.310 4.340 -0.000 0.000 0.204 223 Q C 1.129 177.211 176.000 0.136 0.000 0.936 223 Q CA 0.090 55.934 55.803 0.070 0.000 0.878 223 Q CB -0.130 28.640 28.738 0.054 0.000 0.983 223 Q HN 0.127 nan 8.270 nan 0.000 0.516 224 W N 1.345 122.681 121.300 0.060 0.000 2.476 224 W HA -0.478 4.182 4.660 -0.000 0.000 0.346 224 W C 1.522 178.100 176.519 0.098 0.000 1.615 224 W CA 2.837 60.236 57.345 0.090 0.000 1.553 224 W CB -1.046 28.477 29.460 0.105 0.000 0.928 224 W HN 0.298 nan 8.180 nan 0.000 0.490 225 E N -0.158 120.259 120.200 0.363 0.000 2.070 225 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 225 E C 2.241 178.912 176.600 0.119 0.000 1.004 225 E CA 2.281 58.829 56.400 0.245 0.000 0.805 225 E CB -1.020 28.790 29.700 0.182 0.000 0.744 225 E HN 0.369 nan 8.360 nan 0.000 0.451 226 A N 0.054 122.928 122.820 0.090 0.000 1.877 226 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 226 A C 2.408 180.014 177.584 0.037 0.000 1.186 226 A CA 2.123 54.219 52.037 0.099 0.000 0.620 226 A CB -1.056 18.031 19.000 0.145 0.000 0.822 226 A HN 0.283 nan 8.150 nan 0.000 0.443 227 T N -0.197 114.358 114.554 0.001 0.000 2.674 227 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 227 T C 1.911 176.609 174.700 -0.003 0.000 1.039 227 T CA 1.692 63.765 62.100 -0.045 0.000 1.150 227 T CB -0.545 68.303 68.868 -0.034 0.000 0.864 227 T HN 0.143 nan 8.240 nan 0.000 0.427 228 V N 1.567 121.447 119.914 -0.056 0.000 2.287 228 V HA -0.141 3.978 4.120 -0.000 0.000 0.248 228 V C 2.503 178.631 176.094 0.057 0.000 1.053 228 V CA 1.583 63.867 62.300 -0.028 0.000 1.027 228 V CB -0.704 31.072 31.823 -0.079 0.000 0.646 228 V HN 0.434 nan 8.190 nan 0.000 0.447 229 L N -0.169 121.092 121.223 0.065 0.000 2.141 229 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 229 L C 2.324 179.271 176.870 0.129 0.000 1.094 229 L CA 1.563 56.469 54.840 0.110 0.000 0.763 229 L CB -0.604 41.538 42.059 0.139 0.000 0.908 229 L HN 0.373 nan 8.230 nan 0.000 0.437 230 D N -0.695 119.705 120.400 0.001 0.000 2.178 230 D HA -0.206 4.434 4.640 -0.000 0.000 0.201 230 D C 1.952 178.155 176.300 -0.162 0.000 0.980 230 D CA 1.493 55.410 54.000 -0.140 0.000 0.842 230 D CB 0.108 40.745 40.800 -0.272 0.000 0.948 230 D HN 0.245 nan 8.370 nan 0.000 0.472 231 Y N -0.074 120.211 120.300 -0.026 0.000 2.201 231 Y HA 0.254 4.804 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 1.181 59.264 58.100 -0.028 0.000 1.127 231 Y CB -0.308 38.096 38.460 -0.093 0.000 1.019 231 Y HN 0.001 nan 8.280 nan 0.000 0.514 232 A N -1.975 120.965 122.820 0.200 0.000 2.348 232 A HA 0.047 4.367 4.320 -0.000 0.000 0.224 232 A C 1.489 179.172 177.584 0.165 0.000 1.227 232 A CA -0.307 51.839 52.037 0.182 0.000 0.885 232 A CB -0.989 18.050 19.000 0.065 0.000 0.933 232 A HN 0.516 nan 8.150 nan 0.000 0.506 233 Y N 1.543 121.846 120.300 0.006 0.000 2.062 233 Y HA -0.331 4.219 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 2.613 60.672 58.100 -0.068 0.000 1.130 233 Y CB 0.081 38.478 38.460 -0.104 0.000 0.959 233 Y HN 0.395 nan 8.280 nan 0.000 0.499 234 D N -1.896 118.473 120.400 -0.052 0.000 2.371 234 D HA -0.131 4.509 4.640 -0.000 0.000 0.221 234 D C 0.863 176.790 176.300 -0.623 0.000 0.986 234 D CA 1.181 54.941 54.000 -0.400 0.000 0.899 234 D CB -0.187 40.211 40.800 -0.671 0.000 0.902 234 D HN 0.522 nan 8.370 nan 0.000 0.530 235 Y N -0.683 119.608 120.300 -0.016 0.000 2.432 235 Y HA 0.141 4.691 4.550 -0.000 0.000 0.252 235 Y C 0.852 176.724 175.900 -0.046 0.000 1.097 235 Y CA -0.505 57.577 58.100 -0.030 0.000 1.250 235 Y CB 0.498 38.942 38.460 -0.027 0.000 1.245 235 Y HN -0.228 nan 8.280 nan 0.000 0.522 236 V N -2.764 117.161 119.914 0.020 0.000 2.994 236 V HA 0.544 4.664 4.120 -0.000 0.000 0.318 236 V C -0.080 175.926 176.094 -0.147 0.000 1.085 236 V CA -0.585 61.702 62.300 -0.021 0.000 0.998 236 V CB 2.351 34.174 31.823 0.000 0.000 1.063 236 V HN -0.005 nan 8.190 nan 0.000 0.447 237 D N -0.356 119.948 120.400 -0.160 0.000 2.469 237 D HA 0.215 4.855 4.640 -0.000 0.000 0.240 237 D C -0.544 175.419 176.300 -0.562 0.000 1.087 237 D CA 0.963 54.721 54.000 -0.404 0.000 0.876 237 D CB 0.690 41.182 40.800 -0.513 0.000 1.160 237 D HN 0.661 nan 8.370 nan 0.000 0.497 238 Y N 0.092 120.423 120.300 0.052 0.000 2.512 238 Y HA 0.488 5.038 4.550 -0.000 0.000 0.348 238 Y C -0.497 175.436 175.900 0.054 0.000 0.990 238 Y CA -1.203 56.940 58.100 0.071 0.000 1.033 238 Y CB 1.981 40.505 38.460 0.107 0.000 1.259 238 Y HN -0.293 nan 8.280 nan 0.000 0.461 239 I N 1.991 122.687 120.570 0.211 0.000 2.525 239 I HA 0.611 4.781 4.170 -0.000 0.000 0.301 239 I C -0.252 175.946 176.117 0.134 0.000 0.992 239 I CA -0.278 61.118 61.300 0.161 0.000 1.162 239 I CB 1.406 39.473 38.000 0.111 0.000 1.332 239 I HN 0.653 nan 8.210 nan 0.000 0.458 240 S N 6.970 122.737 115.700 0.112 0.000 2.565 240 S HA 0.853 5.323 4.470 -0.000 0.000 0.290 240 S C -0.898 173.656 174.600 -0.077 0.000 1.150 240 S CA -0.676 57.555 58.200 0.052 0.000 1.058 240 S CB 1.317 64.600 63.200 0.139 0.000 1.032 240 S HN 0.426 nan 8.310 nan 0.000 0.510 241 L N 2.295 123.387 121.223 -0.218 0.000 2.381 241 L HA 0.555 4.895 4.340 -0.000 0.000 0.268 241 L C -0.282 176.477 176.870 -0.185 0.000 0.997 241 L CA -0.434 54.121 54.840 -0.475 0.000 0.818 241 L CB 1.840 43.080 42.059 -1.365 0.000 1.310 241 L HN 0.830 nan 8.230 nan 0.000 0.416 242 H N 1.732 120.719 119.070 -0.139 0.000 2.589 242 H HA 0.660 5.216 4.556 -0.000 0.000 0.351 242 H C -1.190 174.172 175.328 0.056 0.000 1.074 242 H CA -0.868 55.179 56.048 -0.002 0.000 1.203 242 H CB 2.634 32.413 29.762 0.028 0.000 1.558 242 H HN 0.405 nan 8.280 nan 0.000 0.522 243 Q N 2.786 122.678 119.800 0.153 0.000 2.268 243 Q HA 0.307 4.647 4.340 -0.000 0.000 0.266 243 Q C -2.144 173.614 176.000 -0.403 0.000 1.006 243 Q CA -0.628 55.128 55.803 -0.077 0.000 0.824 243 Q CB 1.333 30.194 28.738 0.206 0.000 1.306 243 Q HN 0.511 nan 8.270 nan 0.000 0.424 244 Y N 2.226 122.440 120.300 -0.144 0.000 2.462 244 Y HA 0.660 5.210 4.550 -0.000 0.000 0.346 244 Y C -1.023 174.700 175.900 -0.294 0.000 0.976 244 Y CA -0.712 57.352 58.100 -0.061 0.000 1.044 244 Y CB 1.682 40.238 38.460 0.160 0.000 1.230 244 Y HN 0.522 nan 8.280 nan 0.000 0.455 245 Y N 0.194 120.707 120.300 0.355 0.000 2.524 245 Y HA 0.804 5.354 4.550 -0.000 0.000 0.344 245 Y C 0.405 176.485 175.900 0.299 0.000 1.012 245 Y CA -1.505 56.740 58.100 0.241 0.000 1.068 245 Y CB 2.442 40.980 38.460 0.130 0.000 1.249 245 Y HN 0.691 nan 8.280 nan 0.000 0.468 246 G N 0.557 109.557 108.800 0.334 0.000 2.660 246 G HA2 0.346 4.305 3.960 -0.000 0.000 0.294 246 G HA3 0.346 4.305 3.960 -0.000 0.000 0.294 246 G C -1.273 173.257 174.900 -0.616 0.000 1.369 246 G CA -0.860 44.075 45.100 -0.275 0.000 0.912 246 G HN 0.467 nan 8.290 nan 0.000 0.479 247 N N -0.386 117.217 118.700 -1.829 0.000 2.598 247 N HA 0.158 4.898 4.740 -0.000 0.000 0.309 247 N C 1.243 176.412 175.510 -0.568 0.000 1.645 247 N CA -0.333 52.021 53.050 -1.160 0.000 0.936 247 N CB 0.532 38.059 38.487 -1.600 0.000 1.323 247 N HN 0.494 nan 8.380 nan 0.000 0.497 248 K N -0.136 120.063 120.400 -0.335 0.000 2.209 248 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 248 K C 0.901 177.483 176.600 -0.029 0.000 1.048 248 K CA 1.130 57.398 56.287 -0.033 0.000 0.940 248 K CB 0.260 32.765 32.500 0.007 0.000 0.729 248 K HN 0.424 nan 8.250 nan 0.000 0.451 249 E N 0.452 120.615 120.200 -0.061 0.000 2.268 249 E HA -0.124 4.225 4.350 -0.000 0.000 0.195 249 E C 0.228 176.820 176.600 -0.014 0.000 0.995 249 E CA 0.118 56.505 56.400 -0.022 0.000 0.836 249 E CB -0.046 29.650 29.700 -0.007 0.000 0.763 249 E HN 0.198 nan 8.360 nan 0.000 0.491 250 N N 1.398 120.071 118.700 -0.045 0.000 2.780 250 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 250 N C -1.464 174.048 175.510 0.003 0.000 1.102 250 N CA 0.743 53.780 53.050 -0.021 0.000 0.697 250 N CB -0.992 37.506 38.487 0.017 0.000 1.028 250 N HN 0.161 nan 8.380 nan 0.000 0.554 251 D N -0.249 120.153 120.400 0.003 0.000 2.458 251 D HA 0.346 4.986 4.640 -0.000 0.000 0.258 251 D C 1.051 177.410 176.300 0.100 0.000 1.134 251 D CA -0.206 53.829 54.000 0.058 0.000 0.915 251 D CB 0.472 41.316 40.800 0.074 0.000 1.028 251 D HN 0.121 nan 8.370 nan 0.000 0.508 252 T N 1.165 115.777 114.554 0.097 0.000 2.720 252 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 252 T C 1.880 176.676 174.700 0.160 0.000 1.037 252 T CA 1.584 63.777 62.100 0.155 0.000 1.144 252 T CB 0.088 69.023 68.868 0.111 0.000 0.864 252 T HN 0.487 nan 8.240 nan 0.000 0.444 253 A N 1.568 124.450 122.820 0.102 0.000 1.883 253 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 253 A C 2.143 179.805 177.584 0.131 0.000 1.186 253 A CA 2.133 54.226 52.037 0.094 0.000 0.624 253 A CB -0.897 18.161 19.000 0.097 0.000 0.822 253 A HN 0.491 nan 8.150 nan 0.000 0.444 254 D N -1.950 118.541 120.400 0.151 0.000 2.183 254 D HA -0.100 4.540 4.640 -0.000 0.000 0.203 254 D C 1.563 177.932 176.300 0.115 0.000 0.969 254 D CA 0.933 55.033 54.000 0.166 0.000 0.842 254 D CB -0.190 40.729 40.800 0.198 0.000 0.957 254 D HN 0.339 nan 8.370 nan 0.000 0.484 255 F N 0.718 120.648 119.950 -0.033 0.000 2.134 255 F HA -0.012 4.515 4.527 -0.000 0.000 0.299 255 F C 1.670 177.387 175.800 -0.139 0.000 1.097 255 F CA 1.181 59.128 58.000 -0.088 0.000 1.264 255 F CB -0.205 38.755 39.000 -0.066 0.000 1.001 255 F HN -0.016 nan 8.300 nan 0.000 0.479 256 L N -0.400 120.731 121.223 -0.153 0.000 2.478 256 L HA 0.026 4.365 4.340 -0.000 0.000 0.223 256 L C 2.377 179.090 176.870 -0.262 0.000 1.140 256 L CA 0.681 55.370 54.840 -0.252 0.000 0.842 256 L CB -0.869 41.141 42.059 -0.081 0.000 0.953 256 L HN 0.201 nan 8.230 nan 0.000 0.452 257 A N -0.196 122.454 122.820 -0.283 0.000 2.208 257 A HA -0.067 4.252 4.320 -0.000 0.000 0.209 257 A C 2.075 179.290 177.584 -0.616 0.000 1.161 257 A CA 0.566 52.345 52.037 -0.431 0.000 0.782 257 A CB -0.171 18.509 19.000 -0.533 0.000 0.816 257 A HN 0.264 nan 8.150 nan 0.000 0.477 258 K N 0.686 120.721 120.400 -0.608 0.000 2.504 258 K HA -0.066 4.253 4.320 -0.000 0.000 0.195 258 K C 1.914 178.139 176.600 -0.625 0.000 1.036 258 K CA 1.064 56.932 56.287 -0.697 0.000 0.984 258 K CB -0.047 31.839 32.500 -1.023 0.000 0.788 258 K HN 0.651 nan 8.250 nan 0.000 0.488 259 S N 0.712 116.154 115.700 -0.430 0.000 2.453 259 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 259 S C 1.217 175.762 174.600 -0.092 0.000 1.005 259 S CA 0.979 59.053 58.200 -0.209 0.000 0.949 259 S CB -0.030 63.074 63.200 -0.160 0.000 0.774 259 S HN 0.151 nan 8.310 nan 0.000 0.510 260 D N 2.231 122.553 120.400 -0.129 0.000 2.144 260 D HA -0.030 4.610 4.640 -0.000 0.000 0.200 260 D C 1.435 177.764 176.300 0.048 0.000 0.978 260 D CA 1.101 55.077 54.000 -0.040 0.000 0.833 260 D CB -0.397 40.357 40.800 -0.076 0.000 0.961 260 D HN 0.391 nan 8.370 nan 0.000 0.470 261 D N 0.026 120.458 120.400 0.052 0.000 2.178 261 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 261 D C 2.128 178.583 176.300 0.260 0.000 0.974 261 D CA 0.217 54.319 54.000 0.170 0.000 0.841 261 D CB -0.165 40.760 40.800 0.208 0.000 0.953 261 D HN 0.151 nan 8.370 nan 0.000 0.478 262 L N 1.115 122.502 121.223 0.274 0.000 2.056 262 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 262 L C 1.732 178.754 176.870 0.253 0.000 1.078 262 L CA 1.762 56.816 54.840 0.357 0.000 0.749 262 L CB -0.438 41.782 42.059 0.270 0.000 0.901 262 L HN -0.159 nan 8.230 nan 0.000 0.433 263 D N -0.990 119.506 120.400 0.160 0.000 2.097 263 D HA -0.220 4.420 4.640 -0.000 0.000 0.195 263 D C 1.657 178.027 176.300 0.116 0.000 0.989 263 D CA 1.501 55.583 54.000 0.137 0.000 0.827 263 D CB 0.055 40.953 40.800 0.162 0.000 0.966 263 D HN 0.387 nan 8.370 nan 0.000 0.456 264 D N -0.600 119.897 120.400 0.163 0.000 2.117 264 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 264 D C 1.723 178.169 176.300 0.244 0.000 0.987 264 D CA 0.498 54.603 54.000 0.176 0.000 0.829 264 D CB -0.480 40.426 40.800 0.176 0.000 0.961 264 D HN 0.252 nan 8.370 nan 0.000 0.460 265 F N 1.525 121.540 119.950 0.109 0.000 2.095 265 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 265 F C 2.112 177.983 175.800 0.119 0.000 1.104 265 F CA 0.930 59.002 58.000 0.120 0.000 1.232 265 F CB -0.658 38.398 39.000 0.093 0.000 0.987 265 F HN -0.119 nan 8.300 nan 0.000 0.475 266 I N 0.194 120.711 120.570 -0.089 0.000 2.179 266 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 266 I C 2.622 178.619 176.117 -0.202 0.000 1.088 266 I CA 1.490 62.624 61.300 -0.275 0.000 1.357 266 I CB -0.488 37.281 38.000 -0.385 0.000 1.051 266 I HN 0.052 nan 8.210 nan 0.000 0.409 267 R N 0.100 120.528 120.500 -0.120 0.000 2.096 267 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 267 R C 2.502 178.823 176.300 0.034 0.000 1.127 267 R CA 1.571 57.659 56.100 -0.020 0.000 0.968 267 R CB -0.385 29.945 30.300 0.050 0.000 0.861 267 R HN 0.269 nan 8.270 nan 0.000 0.440 268 S N 0.257 116.013 115.700 0.093 0.000 2.368 268 S HA -0.098 4.371 4.470 -0.000 0.000 0.225 268 S C 2.046 176.689 174.600 0.071 0.000 1.030 268 S CA 1.195 59.474 58.200 0.131 0.000 0.999 268 S CB -0.054 63.339 63.200 0.322 0.000 0.844 268 S HN 0.089 nan 8.310 nan 0.000 0.459 269 V N 1.814 121.759 119.914 0.051 0.000 2.379 269 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 269 V C 2.003 178.096 176.094 -0.002 0.000 1.044 269 V CA 1.283 63.587 62.300 0.006 0.000 1.036 269 V CB -0.611 31.152 31.823 -0.100 0.000 0.664 269 V HN 0.441 nan 8.190 nan 0.000 0.453 270 I N 0.675 121.238 120.570 -0.012 0.000 2.226 270 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 270 I C 2.689 178.825 176.117 0.032 0.000 1.100 270 I CA 1.570 62.876 61.300 0.010 0.000 1.374 270 I CB -0.600 37.411 38.000 0.019 0.000 1.057 270 I HN 0.289 nan 8.210 nan 0.000 0.413 271 A N 0.386 123.227 122.820 0.035 0.000 1.902 271 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 271 A C 2.383 180.008 177.584 0.070 0.000 1.181 271 A CA 2.482 54.546 52.037 0.046 0.000 0.623 271 A CB -1.111 17.907 19.000 0.030 0.000 0.818 271 A HN 0.403 nan 8.150 nan 0.000 0.443 272 T N -0.744 113.840 114.554 0.050 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 0.145 0.000 1.039 272 T CA 1.553 63.706 62.100 0.089 0.000 1.142 272 T CB -0.708 68.169 68.868 0.015 0.000 0.866 272 T HN 0.582 nan 8.240 nan 0.000 0.444 273 C N 1.730 121.085 119.300 0.092 0.000 2.432 273 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 273 C C 2.618 177.669 174.990 0.102 0.000 1.249 273 C CA 0.486 59.560 59.018 0.092 0.000 1.725 273 C CB -0.979 26.779 27.740 0.030 0.000 2.028 273 C HN 0.553 nan 8.230 nan 0.000 0.477 274 D N -0.713 119.734 120.400 0.077 0.000 2.178 274 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 274 D C 1.672 178.009 176.300 0.062 0.000 0.974 274 D CA 1.060 55.093 54.000 0.056 0.000 0.841 274 D CB -0.517 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 1.503 121.793 120.300 -0.017 0.000 2.145 275 Y HA -0.170 4.380 4.550 -0.000 0.000 0.286 275 Y C 1.953 177.818 175.900 -0.059 0.000 1.145 275 Y CA 1.230 59.309 58.100 -0.036 0.000 1.148 275 Y CB -0.260 38.179 38.460 -0.034 0.000 0.981 275 Y HN -0.148 nan 8.280 nan 0.000 0.507 276 I N 1.113 121.498 120.570 -0.308 0.000 2.315 276 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 276 I C 2.403 178.257 176.117 -0.439 0.000 1.117 276 I CA 1.451 62.500 61.300 -0.419 0.000 1.404 276 I CB -1.268 36.668 38.000 -0.107 0.000 1.071 276 I HN 0.318 nan 8.210 nan 0.000 0.419 277 K N 1.522 121.765 120.400 -0.261 0.000 2.044 277 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 277 K C 2.169 178.585 176.600 -0.305 0.000 1.049 277 K CA 1.882 57.983 56.287 -0.310 0.000 0.927 277 K CB 0.022 32.493 32.500 -0.049 0.000 0.713 277 K HN 0.250 nan 8.250 nan 0.000 0.443 278 A N 1.276 123.959 122.820 -0.229 0.000 1.930 278 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 278 A C 2.028 179.463 177.584 -0.248 0.000 1.175 278 A CA 1.672 53.595 52.037 -0.190 0.000 0.627 278 A CB -0.402 18.529 19.000 -0.114 0.000 0.815 278 A HN 0.385 nan 8.150 nan 0.000 0.443 279 K N -0.431 119.750 120.400 -0.364 0.000 2.097 279 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 279 K C 1.511 177.920 176.600 -0.318 0.000 1.049 279 K CA 1.327 57.396 56.287 -0.363 0.000 0.933 279 K CB 0.004 32.199 32.500 -0.507 0.000 0.717 279 K HN 0.192 nan 8.250 nan 0.000 0.442 280 K N 0.389 120.550 120.400 -0.399 0.000 2.361 280 K HA 0.026 4.346 4.320 -0.000 0.000 0.196 280 K C 0.135 176.564 176.600 -0.285 0.000 1.039 280 K CA 0.286 56.339 56.287 -0.389 0.000 1.001 280 K CB 0.266 32.380 32.500 -0.643 0.000 0.795 280 K HN 0.084 nan 8.250 nan 0.000 0.495 281 R N 0.632 120.983 120.500 -0.248 0.000 3.416 281 R HA -0.131 4.209 4.340 -0.000 0.000 0.263 281 R C -0.114 176.089 176.300 -0.161 0.000 1.053 281 R CA 0.657 56.654 56.100 -0.171 0.000 0.705 281 R CB -2.556 27.667 30.300 -0.128 0.000 1.124 281 R HN 0.077 nan 8.270 nan 0.000 0.444 282 S N -0.563 115.012 115.700 -0.209 0.000 2.585 282 S HA 0.358 4.828 4.470 -0.000 0.000 0.277 282 S C 1.020 175.580 174.600 -0.067 0.000 1.241 282 S CA -0.793 57.322 58.200 -0.143 0.000 1.041 282 S CB 1.026 64.115 63.200 -0.186 0.000 0.987 282 S HN 0.341 nan 8.310 nan 0.000 0.512 283 K N 1.571 121.953 120.400 -0.030 0.000 2.393 283 K HA 0.141 4.461 4.320 -0.000 0.000 0.193 283 K C 0.409 177.012 176.600 0.005 0.000 1.026 283 K CA 0.162 56.440 56.287 -0.014 0.000 1.064 283 K CB 0.175 32.667 32.500 -0.014 0.000 0.833 283 K HN 0.403 nan 8.250 nan 0.000 0.521 284 K N 1.971 122.391 120.400 0.034 0.000 2.205 284 K HA 0.048 4.368 4.320 -0.000 0.000 0.279 284 K C -0.955 175.644 176.600 -0.002 0.000 1.027 284 K CA -0.356 55.944 56.287 0.022 0.000 0.932 284 K CB 0.800 33.320 32.500 0.033 0.000 1.032 284 K HN -0.125 nan 8.250 nan 0.000 0.466 285 D N 4.117 124.417 120.400 -0.166 0.000 2.198 285 D HA 0.182 4.822 4.640 -0.000 0.000 0.245 285 D C 0.159 176.095 176.300 -0.607 0.000 1.079 285 D CA -0.346 53.442 54.000 -0.352 0.000 0.854 285 D CB 1.003 41.505 40.800 -0.497 0.000 1.148 285 D HN 0.357 nan 8.370 nan 0.000 0.456 286 I N 2.930 123.220 120.570 -0.467 0.000 2.496 286 I HA 0.054 4.224 4.170 -0.000 0.000 0.285 286 I C 0.238 176.098 176.117 -0.427 0.000 1.080 286 I CA -0.133 60.894 61.300 -0.456 0.000 1.404 286 I CB -0.385 37.401 38.000 -0.358 0.000 1.403 286 I HN 0.206 nan 8.210 nan 0.000 0.539 287 Y N 5.619 125.880 120.300 -0.065 0.000 2.432 287 Y HA 0.440 4.990 4.550 -0.000 0.000 0.322 287 Y C 0.087 176.130 175.900 0.238 0.000 1.246 287 Y CA -0.886 57.278 58.100 0.106 0.000 1.268 287 Y CB 0.896 39.464 38.460 0.179 0.000 1.276 287 Y HN 0.264 nan 8.280 nan 0.000 0.499 288 L N 1.230 122.681 121.223 0.380 0.000 2.282 288 L HA 0.375 4.715 4.340 -0.000 0.000 0.288 288 L C 0.014 176.996 176.870 0.186 0.000 1.033 288 L CA -0.062 54.909 54.840 0.218 0.000 0.807 288 L CB 1.537 43.660 42.059 0.108 0.000 1.209 288 L HN 0.551 nan 8.230 nan 0.000 0.423 289 S N 3.635 119.401 115.700 0.111 0.000 2.528 289 S HA 0.359 4.829 4.470 -0.000 0.000 0.303 289 S C -0.323 174.323 174.600 0.075 0.000 1.123 289 S CA -0.469 57.738 58.200 0.010 0.000 1.138 289 S CB -0.206 62.936 63.200 -0.096 0.000 0.984 289 S HN 0.349 nan 8.310 nan 0.000 0.474 290 F N 4.734 124.703 119.950 0.033 0.000 2.659 290 F HA 0.215 4.742 4.527 -0.000 0.000 0.360 290 F C 0.872 176.761 175.800 0.149 0.000 1.218 290 F CA -1.182 56.872 58.000 0.090 0.000 1.317 290 F CB -0.007 39.011 39.000 0.031 0.000 1.697 290 F HN 0.654 nan 8.300 nan 0.000 0.637 291 D N -0.348 120.181 120.400 0.216 0.000 2.324 291 D HA -0.032 4.608 4.640 -0.000 0.000 0.235 291 D C -0.209 176.021 176.300 -0.116 0.000 1.095 291 D CA 0.368 54.402 54.000 0.056 0.000 0.871 291 D CB -0.248 40.521 40.800 -0.051 0.000 0.906 291 D HN 0.429 nan 8.370 nan 0.000 0.522 292 E N 0.480 120.690 120.200 0.017 0.000 2.404 292 E HA 0.243 4.592 4.350 -0.000 0.000 0.298 292 E C -1.412 175.265 176.600 0.129 0.000 0.908 292 E CA -0.819 55.513 56.400 -0.114 0.000 0.808 292 E CB 1.367 30.738 29.700 -0.548 0.000 1.380 292 E HN 0.339 nan 8.360 nan 0.000 0.392 293 W N 3.345 124.617 121.300 -0.046 0.000 3.372 293 W HA 0.734 5.394 4.660 -0.000 0.000 0.315 293 W C -1.407 175.102 176.519 -0.016 0.000 1.223 293 W CA -0.597 56.678 57.345 -0.118 0.000 1.202 293 W CB 1.338 30.692 29.460 -0.177 0.000 1.367 293 W HN 0.433 nan 8.180 nan 0.000 0.531 294 N N 0.384 119.192 118.700 0.181 0.000 4.016 294 N HA 0.203 4.943 4.740 -0.000 0.000 0.227 294 N C -2.123 173.660 175.510 0.454 0.000 1.337 294 N CA -0.486 52.678 53.050 0.191 0.000 0.817 294 N CB 1.836 40.369 38.487 0.077 0.000 1.469 294 N HN 0.266 nan 8.380 nan 0.000 0.448 295 V N 1.557 121.715 119.914 0.407 0.000 2.583 295 V HA 0.518 4.638 4.120 -0.000 0.000 0.287 295 V C -0.633 175.904 176.094 0.738 0.000 1.051 295 V CA 0.061 62.718 62.300 0.594 0.000 1.010 295 V CB 0.828 33.007 31.823 0.594 0.000 0.988 295 V HN 0.634 nan 8.190 nan 0.000 0.478 296 W N 8.569 130.133 121.300 0.439 0.000 3.097 296 W HA 0.538 5.197 4.660 -0.000 0.000 0.325 296 W C -0.942 175.710 176.519 0.222 0.000 1.056 296 W CA -1.500 55.967 57.345 0.203 0.000 1.254 296 W CB 1.057 30.494 29.460 -0.040 0.000 1.202 296 W HN 0.671 nan 8.180 nan 0.000 0.400 297 Y N 1.266 121.631 120.300 0.109 0.000 2.537 297 Y HA 0.238 4.788 4.550 -0.000 0.000 0.302 297 Y C 1.479 177.374 175.900 -0.008 0.000 0.959 297 Y CA 0.594 58.642 58.100 -0.087 0.000 0.971 297 Y CB -0.353 38.036 38.460 -0.118 0.000 1.416 297 Y HN 0.306 nan 8.280 nan 0.000 0.585 298 H N 1.487 120.222 119.070 -0.559 0.000 2.319 298 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 298 H C 1.770 176.974 175.328 -0.207 0.000 1.092 298 H CA 2.060 57.805 56.048 -0.506 0.000 1.302 298 H CB 0.162 29.595 29.762 -0.547 0.000 1.373 298 H HN 0.459 nan 8.280 nan 0.000 0.497 299 S N 0.365 116.075 115.700 0.017 0.000 2.671 299 S HA 0.006 4.476 4.470 -0.000 0.000 0.220 299 S C 1.365 175.995 174.600 0.050 0.000 0.951 299 S CA -0.194 58.013 58.200 0.011 0.000 0.932 299 S CB 0.029 63.214 63.200 -0.025 0.000 0.777 299 S HN 0.296 nan 8.310 nan 0.000 0.508 300 N N 3.731 122.463 118.700 0.053 0.000 2.018 300 N HA -0.101 4.639 4.740 -0.000 0.000 0.196 300 N C 1.295 176.812 175.510 0.012 0.000 1.043 300 N CA 1.711 54.779 53.050 0.029 0.000 0.856 300 N CB -0.733 37.740 38.487 -0.022 0.000 1.042 300 N HN 0.446 nan 8.380 nan 0.000 0.423 301 N N 0.858 119.560 118.700 0.003 0.000 2.120 301 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 301 N C 1.634 177.140 175.510 -0.006 0.000 1.024 301 N CA 0.763 53.811 53.050 -0.004 0.000 0.852 301 N CB -0.437 38.046 38.487 -0.006 0.000 1.003 301 N HN 0.347 nan 8.380 nan 0.000 0.424 302 E N 1.115 121.309 120.200 -0.009 0.000 2.110 302 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 302 E C 0.893 177.487 176.600 -0.010 0.000 0.988 302 E CA 1.229 57.619 56.400 -0.016 0.000 0.804 302 E CB -0.226 29.457 29.700 -0.028 0.000 0.745 302 E HN 0.208 nan 8.360 nan 0.000 0.458 303 D N -0.279 120.124 120.400 0.006 0.000 2.178 303 D HA -0.085 4.555 4.640 -0.000 0.000 0.202 303 D C 1.673 177.985 176.300 0.019 0.000 0.974 303 D CA 1.392 55.405 54.000 0.021 0.000 0.841 303 D CB -0.309 40.531 40.800 0.068 0.000 0.953 303 D HN 0.333 nan 8.370 nan 0.000 0.478 304 A N 0.902 123.728 122.820 0.010 0.000 1.929 304 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 304 A C 2.028 179.607 177.584 -0.009 0.000 1.176 304 A CA 0.993 53.029 52.037 -0.001 0.000 0.628 304 A CB -0.364 18.631 19.000 -0.007 0.000 0.816 304 A HN 0.086 nan 8.150 nan 0.000 0.444 305 N N 0.460 119.153 118.700 -0.011 0.000 2.018 305 N HA -0.160 4.580 4.740 -0.000 0.000 0.196 305 N C 1.534 177.032 175.510 -0.020 0.000 1.043 305 N CA 1.837 54.877 53.050 -0.015 0.000 0.856 305 N CB -0.482 37.996 38.487 -0.016 0.000 1.042 305 N HN 0.547 nan 8.380 nan 0.000 0.423 306 I N 0.803 121.362 120.570 -0.019 0.000 2.850 306 I HA -0.129 4.040 4.170 -0.000 0.000 0.266 306 I C 0.681 176.774 176.117 -0.040 0.000 1.257 306 I CA 0.423 61.708 61.300 -0.026 0.000 1.465 306 I CB -0.157 37.829 38.000 -0.025 0.000 1.091 306 I HN 0.195 nan 8.210 nan 0.000 0.467 307 M N -0.496 119.080 119.600 -0.040 0.000 2.224 307 M HA 0.420 4.900 4.480 -0.000 0.000 0.281 307 M C -0.772 175.492 176.300 -0.060 0.000 1.025 307 M CA -0.548 54.711 55.300 -0.068 0.000 0.954 307 M CB 2.394 34.959 32.600 -0.059 0.000 1.639 307 M HN -0.090 nan 8.290 nan 0.000 0.461 308 Q N 2.088 121.840 119.800 -0.080 0.000 2.451 308 Q HA -0.174 4.166 4.340 -0.000 0.000 0.292 308 Q C -0.780 175.197 176.000 -0.038 0.000 1.390 308 Q CA 1.203 56.974 55.803 -0.053 0.000 0.753 308 Q CB -1.554 27.164 28.738 -0.034 0.000 1.128 308 Q HN 1.174 nan 8.270 nan 0.000 0.402 309 N N -1.491 117.183 118.700 -0.044 0.000 1.874 309 N HA -0.052 4.688 4.740 -0.000 0.000 0.244 309 N C -0.905 174.592 175.510 -0.023 0.000 1.422 309 N CA 0.797 53.831 53.050 -0.026 0.000 0.727 309 N CB 0.859 39.332 38.487 -0.022 0.000 1.128 309 N HN 0.027 nan 8.380 nan 0.000 0.566 310 E N 0.642 120.818 120.200 -0.040 0.000 3.432 310 E HA 0.177 4.527 4.350 -0.000 0.000 0.228 310 E C -3.049 173.516 176.600 -0.059 0.000 1.063 310 E CA -0.586 55.796 56.400 -0.029 0.000 1.389 310 E CB 0.804 30.495 29.700 -0.016 0.000 1.172 310 E HN 0.313 nan 8.360 nan 0.000 0.383 311 P HA 0.496 nan 4.420 nan 0.000 0.279 311 P C 0.129 177.359 177.300 -0.116 0.000 1.252 311 P CA 0.206 63.079 63.100 -0.378 0.000 0.811 311 P CB 0.285 31.534 31.700 -0.753 0.000 1.035 312 W N -0.945 120.384 121.300 0.049 0.000 1.440 312 W HA -0.227 4.433 4.660 -0.000 0.000 0.242 312 W C 0.062 176.598 176.519 0.028 0.000 0.991 312 W CA -0.485 56.886 57.345 0.043 0.000 0.407 312 W CB -1.860 27.621 29.460 0.035 0.000 1.999 312 W HN 0.367 nan 8.180 nan 0.000 1.219 313 R N 0.390 121.007 120.500 0.195 0.000 1.901 313 R HA -0.156 4.184 4.340 -0.000 0.000 0.318 313 R C -0.299 176.070 176.300 0.114 0.000 1.210 313 R CA 1.120 57.288 56.100 0.113 0.000 1.206 313 R CB -0.915 29.416 30.300 0.052 0.000 3.325 313 R HN 0.277 nan 8.270 nan 0.000 0.492 314 I N 1.916 122.524 120.570 0.063 0.000 2.342 314 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 314 I C 1.038 177.163 176.117 0.013 0.000 1.010 314 I CA 0.226 61.538 61.300 0.021 0.000 1.308 314 I CB 1.528 39.504 38.000 -0.040 0.000 1.400 314 I HN 0.876 nan 8.210 nan 0.000 0.488 315 A N 6.482 129.319 122.820 0.028 0.000 2.362 315 A HA -0.127 4.193 4.320 -0.000 0.000 0.290 315 A C -2.306 175.275 177.584 -0.006 0.000 1.441 315 A CA -0.394 51.662 52.037 0.031 0.000 0.743 315 A CB -1.888 17.156 19.000 0.074 0.000 1.125 315 A HN 0.482 nan 8.150 nan 0.000 0.378 316 P HA 0.311 nan 4.420 nan 0.000 0.274 316 P C -2.645 174.613 177.300 -0.070 0.000 1.231 316 P CA -1.688 61.393 63.100 -0.032 0.000 0.790 316 P CB 0.084 31.770 31.700 -0.022 0.000 0.951 317 P HA 0.157 nan 4.420 nan 0.000 0.235 317 P C -0.278 176.950 177.300 -0.120 0.000 1.765 317 P CA 0.302 63.346 63.100 -0.094 0.000 1.034 317 P CB -0.240 31.419 31.700 -0.068 0.000 1.984 318 L N 2.225 123.348 121.223 -0.167 0.000 2.357 318 L HA 0.233 4.573 4.340 -0.000 0.000 0.273 318 L C 1.136 177.832 176.870 -0.290 0.000 1.080 318 L CA -0.960 53.757 54.840 -0.205 0.000 0.803 318 L CB 0.478 42.386 42.059 -0.251 0.000 1.174 318 L HN 0.010 nan 8.230 nan 0.000 0.443 319 L N 1.633 122.701 121.223 -0.260 0.000 3.843 319 L HA -0.229 4.111 4.340 -0.000 0.000 0.411 319 L C 0.265 176.934 176.870 -0.336 0.000 1.205 319 L CA 0.854 55.482 54.840 -0.353 0.000 0.945 319 L CB -1.645 40.017 42.059 -0.661 0.000 1.929 319 L HN 0.634 nan 8.230 nan 0.000 0.934 320 E N 0.105 120.166 120.200 -0.232 0.000 2.110 320 E HA 0.142 4.492 4.350 -0.000 0.000 0.300 320 E C 0.099 176.572 176.600 -0.212 0.000 1.278 320 E CA -0.471 55.799 56.400 -0.216 0.000 1.365 320 E CB -0.044 29.562 29.700 -0.157 0.000 1.283 320 E HN 0.302 nan 8.360 nan 0.000 0.490 321 D N 1.672 121.892 120.400 -0.300 0.000 2.425 321 D HA 0.030 4.670 4.640 -0.000 0.000 0.247 321 D C -0.063 175.953 176.300 -0.473 0.000 1.147 321 D CA 0.221 53.980 54.000 -0.402 0.000 0.879 321 D CB 0.711 41.116 40.800 -0.659 0.000 1.179 321 D HN 0.248 nan 8.370 nan 0.000 0.456 322 I N 3.898 124.293 120.570 -0.292 0.000 2.306 322 I HA 0.127 4.297 4.170 -0.000 0.000 0.288 322 I C -0.243 175.807 176.117 -0.112 0.000 1.036 322 I CA -0.649 60.559 61.300 -0.152 0.000 1.221 322 I CB -0.371 37.582 38.000 -0.078 0.000 1.385 322 I HN 0.215 nan 8.210 nan 0.000 0.472 323 Y N 4.400 124.811 120.300 0.186 0.000 2.359 323 Y HA 0.214 4.764 4.550 -0.000 0.000 0.330 323 Y C 1.636 177.668 175.900 0.220 0.000 1.143 323 Y CA -0.186 58.063 58.100 0.248 0.000 1.318 323 Y CB 0.810 39.379 38.460 0.182 0.000 1.234 323 Y HN 0.600 nan 8.280 nan 0.000 0.522 324 T N -0.832 113.994 114.554 0.453 0.000 2.849 324 T HA 0.146 4.495 4.350 -0.000 0.000 0.276 324 T C 0.777 175.683 174.700 0.344 0.000 0.971 324 T CA -0.530 61.762 62.100 0.320 0.000 0.949 324 T CB 0.526 69.570 68.868 0.292 0.000 1.093 324 T HN 0.555 nan 8.240 nan 0.000 0.545 325 F N 1.701 121.747 119.950 0.159 0.000 2.146 325 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 325 F C 2.448 178.370 175.800 0.205 0.000 1.096 325 F CA 1.796 59.889 58.000 0.155 0.000 1.275 325 F CB -0.594 38.468 39.000 0.103 0.000 1.008 325 F HN 0.866 nan 8.300 nan 0.000 0.480 326 E N -0.642 119.585 120.200 0.046 0.000 2.153 326 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 326 E C 1.504 178.231 176.600 0.212 0.000 0.988 326 E CA 1.486 57.907 56.400 0.036 0.000 0.811 326 E CB -0.701 29.134 29.700 0.226 0.000 0.746 326 E HN 0.357 nan 8.360 nan 0.000 0.466 327 D N 1.640 122.241 120.400 0.336 0.000 2.117 327 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 327 D C 2.071 178.444 176.300 0.123 0.000 0.987 327 D CA 1.730 55.970 54.000 0.400 0.000 0.829 327 D CB -0.367 40.742 40.800 0.516 0.000 0.961 327 D HN 0.364 nan 8.370 nan 0.000 0.460 328 A N 0.655 123.490 122.820 0.024 0.000 1.972 328 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 328 A C 2.386 179.874 177.584 -0.160 0.000 1.169 328 A CA 0.828 52.819 52.037 -0.077 0.000 0.635 328 A CB -0.691 18.308 19.000 -0.002 0.000 0.810 328 A HN 0.198 nan 8.150 nan 0.000 0.446 329 L N -1.315 119.775 121.223 -0.222 0.000 2.056 329 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 329 L C 2.539 179.353 176.870 -0.094 0.000 1.078 329 L CA 1.106 55.845 54.840 -0.168 0.000 0.749 329 L CB -0.479 41.429 42.059 -0.251 0.000 0.901 329 L HN 0.448 nan 8.230 nan 0.000 0.433 330 L N -0.643 120.506 121.223 -0.123 0.000 2.056 330 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 330 L C 2.368 179.200 176.870 -0.063 0.000 1.078 330 L CA 1.457 56.184 54.840 -0.189 0.000 0.749 330 L CB -0.305 41.486 42.059 -0.447 0.000 0.901 330 L HN -0.098 nan 8.230 nan 0.000 0.433 331 V N 0.136 120.052 119.914 0.003 0.000 2.332 331 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 331 V C 2.596 178.694 176.094 0.008 0.000 1.055 331 V CA 1.883 64.252 62.300 0.116 0.000 1.038 331 V CB -1.602 30.259 31.823 0.064 0.000 0.651 331 V HN 0.644 nan 8.190 nan 0.000 0.450 332 G N -0.457 108.260 108.800 -0.139 0.000 2.418 332 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 332 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 332 G C 1.599 176.588 174.900 0.149 0.000 1.158 332 G CA 0.995 45.986 45.100 -0.181 0.000 0.771 332 G HN 0.471 nan 8.290 nan 0.000 0.545 333 L N -0.231 121.040 121.223 0.081 0.000 2.046 333 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 333 L C 3.097 179.950 176.870 -0.028 0.000 1.077 333 L CA 1.044 55.910 54.840 0.043 0.000 0.747 333 L CB -0.266 41.767 42.059 -0.042 0.000 0.896 333 L HN 0.228 nan 8.230 nan 0.000 0.432 334 M N -0.926 118.620 119.600 -0.090 0.000 2.117 334 M HA -0.221 4.258 4.480 -0.000 0.000 0.262 334 M C 2.268 178.332 176.300 -0.394 0.000 1.065 334 M CA 1.724 56.883 55.300 -0.235 0.000 1.114 334 M CB -0.338 32.127 32.600 -0.225 0.000 1.361 334 M HN 0.211 nan 8.290 nan 0.000 0.408 335 L N -0.109 120.937 121.223 -0.295 0.000 2.083 335 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 335 L C 2.318 179.182 176.870 -0.010 0.000 1.083 335 L CA 1.164 55.880 54.840 -0.207 0.000 0.752 335 L CB -0.486 41.568 42.059 -0.007 0.000 0.899 335 L HN 0.274 nan 8.230 nan 0.000 0.433 336 I N -0.707 119.927 120.570 0.107 0.000 2.179 336 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 336 I C 2.462 178.588 176.117 0.015 0.000 1.088 336 I CA 1.640 63.018 61.300 0.130 0.000 1.357 336 I CB -0.432 37.667 38.000 0.165 0.000 1.051 336 I HN 0.267 nan 8.210 nan 0.000 0.409 337 T N 1.221 115.758 114.554 -0.029 0.000 2.746 337 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 337 T C 1.941 176.646 174.700 0.009 0.000 1.039 337 T CA 1.217 63.314 62.100 -0.004 0.000 1.142 337 T CB -0.357 68.500 68.868 -0.018 0.000 0.866 337 T HN 0.234 nan 8.240 nan 0.000 0.444 338 L N 0.082 121.212 121.223 -0.155 0.000 2.042 338 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 338 L C 2.699 179.514 176.870 -0.090 0.000 1.076 338 L CA 1.395 56.121 54.840 -0.191 0.000 0.749 338 L CB -0.538 41.261 42.059 -0.433 0.000 0.893 338 L HN 0.298 nan 8.230 nan 0.000 0.432 339 M N -0.696 118.855 119.600 -0.082 0.000 2.159 339 M HA -0.202 4.278 4.480 -0.000 0.000 0.263 339 M C 2.200 178.457 176.300 -0.073 0.000 1.063 339 M CA 1.642 56.906 55.300 -0.061 0.000 1.110 339 M CB -0.205 32.387 32.600 -0.012 0.000 1.374 339 M HN 0.079 nan 8.290 nan 0.000 0.411 340 K N -0.681 119.659 120.400 -0.100 0.000 2.209 340 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 340 K C 0.742 177.138 176.600 -0.340 0.000 1.048 340 K CA 0.812 56.960 56.287 -0.231 0.000 0.940 340 K CB -0.117 32.196 32.500 -0.311 0.000 0.729 340 K HN 0.496 nan 8.250 nan 0.000 0.451 341 H N -0.974 118.081 119.070 -0.025 0.000 2.472 341 H HA 0.250 4.806 4.556 -0.000 0.000 0.287 341 H C 0.919 176.250 175.328 0.007 0.000 1.112 341 H CA -0.034 56.015 56.048 0.002 0.000 1.021 341 H CB 0.656 30.426 29.762 0.013 0.000 1.635 341 H HN 0.141 nan 8.280 nan 0.000 0.559 342 A N 1.074 123.920 122.820 0.044 0.000 2.172 342 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 342 A C 2.017 179.631 177.584 0.051 0.000 1.154 342 A CA 1.190 53.237 52.037 0.018 0.000 0.701 342 A CB -0.080 18.902 19.000 -0.030 0.000 0.789 342 A HN 0.433 nan 8.150 nan 0.000 0.465 343 D N -0.805 119.646 120.400 0.085 0.000 2.224 343 D HA -0.133 4.507 4.640 -0.000 0.000 0.205 343 D C 1.682 178.116 176.300 0.222 0.000 0.965 343 D CA 0.819 54.893 54.000 0.123 0.000 0.852 343 D CB -0.204 40.663 40.800 0.111 0.000 0.947 343 D HN 0.316 nan 8.370 nan 0.000 0.494 344 R N -0.094 120.546 120.500 0.232 0.000 2.225 344 R HA 0.348 4.688 4.340 -0.000 0.000 0.194 344 R C 0.791 177.275 176.300 0.306 0.000 0.949 344 R CA -0.178 56.114 56.100 0.321 0.000 1.088 344 R CB 0.378 30.798 30.300 0.200 0.000 1.106 344 R HN 0.227 nan 8.270 nan 0.000 0.566 345 I N 2.894 123.579 120.570 0.192 0.000 2.363 345 I HA 0.061 4.231 4.170 -0.000 0.000 0.292 345 I C 1.053 177.213 176.117 0.072 0.000 1.075 345 I CA 0.166 61.550 61.300 0.140 0.000 1.333 345 I CB 0.749 38.811 38.000 0.103 0.000 1.415 345 I HN -0.232 nan 8.210 nan 0.000 0.502 346 K N 6.105 126.549 120.400 0.073 0.000 2.399 346 K HA 0.440 4.760 4.320 -0.000 0.000 0.196 346 K C 0.189 176.739 176.600 -0.083 0.000 1.103 346 K CA 0.483 56.762 56.287 -0.013 0.000 0.986 346 K CB 1.042 33.553 32.500 0.018 0.000 0.952 346 K HN 0.473 nan 8.250 nan 0.000 0.541 347 I N 0.617 121.120 120.570 -0.112 0.000 2.582 347 I HA 0.459 4.629 4.170 -0.000 0.000 0.292 347 I C -1.033 175.085 176.117 0.001 0.000 1.066 347 I CA -1.100 60.127 61.300 -0.122 0.000 1.053 347 I CB 2.300 40.135 38.000 -0.276 0.000 1.241 347 I HN -0.174 nan 8.210 nan 0.000 0.421 348 A N 4.282 127.143 122.820 0.068 0.000 2.520 348 A HA 0.791 5.111 4.320 -0.000 0.000 0.298 348 A C -1.529 176.258 177.584 0.339 0.000 1.051 348 A CA -0.432 51.747 52.037 0.238 0.000 0.690 348 A CB 1.631 20.723 19.000 0.153 0.000 1.281 348 A HN 0.737 nan 8.150 nan 0.000 0.402 349 C N 1.995 121.543 119.300 0.414 0.000 2.346 349 C HA 0.556 5.016 4.460 -0.000 0.000 0.326 349 C C -0.063 174.910 174.990 -0.029 0.000 1.224 349 C CA -0.522 58.639 59.018 0.239 0.000 1.408 349 C CB 0.334 28.144 27.740 0.116 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 -0.243 0.000 2.477 350 L HA 0.490 4.830 4.340 -0.000 0.000 0.272 350 L C 0.476 177.100 176.870 -0.409 0.000 1.157 350 L CA 0.567 54.892 54.840 -0.857 0.000 0.889 350 L CB 0.320 41.910 42.059 -0.781 0.000 1.158 350 L HN 0.813 nan 8.230 nan 0.000 0.473 351 A N 6.352 128.979 122.820 -0.321 0.000 2.253 351 A HA 0.631 4.951 4.320 -0.000 0.000 0.316 351 A C -0.203 177.291 177.584 -0.151 0.000 1.327 351 A CA -0.471 51.556 52.037 -0.017 0.000 0.917 351 A CB 0.337 19.517 19.000 0.299 0.000 1.162 351 A HN 0.876 nan 8.150 nan 0.000 0.535 352 Q N 0.900 120.539 119.800 -0.268 0.000 3.274 352 Q HA 0.389 4.729 4.340 -0.000 0.000 0.303 352 Q C 0.198 176.002 176.000 -0.326 0.000 1.005 352 Q CA -0.997 54.609 55.803 -0.327 0.000 0.831 352 Q CB 0.563 28.983 28.738 -0.531 0.000 1.538 352 Q HN 0.541 nan 8.270 nan 0.000 0.481 353 L N 0.215 121.253 121.223 -0.308 0.000 2.341 353 L HA 0.256 4.596 4.340 -0.000 0.000 0.214 353 L C -0.152 176.573 176.870 -0.242 0.000 1.115 353 L CA 1.288 55.976 54.840 -0.253 0.000 0.820 353 L CB 0.578 42.559 42.059 -0.129 0.000 0.944 353 L HN 0.404 nan 8.230 nan 0.000 0.452 354 I N 0.112 120.522 120.570 -0.267 0.000 2.538 354 I HA 0.031 4.201 4.170 -0.000 0.000 0.248 354 I C 0.051 175.988 176.117 -0.299 0.000 1.403 354 I CA -0.205 60.940 61.300 -0.258 0.000 1.312 354 I CB 0.346 38.196 38.000 -0.249 0.000 1.684 354 I HN 0.015 nan 8.210 nan 0.000 0.417 355 N N 1.652 120.178 118.700 -0.291 0.000 1.978 355 N HA -0.195 4.545 4.740 -0.000 0.000 0.217 355 N C 0.508 175.833 175.510 -0.308 0.000 0.677 355 N CA 1.851 54.728 53.050 -0.289 0.000 4.021 355 N CB -0.614 37.720 38.487 -0.255 0.000 0.740 355 N HN 0.375 nan 8.380 nan 0.000 0.276 356 V N 4.260 123.957 119.914 -0.362 0.000 2.439 356 V HA 0.158 4.278 4.120 -0.000 0.000 0.271 356 V C 1.278 177.122 176.094 -0.416 0.000 1.040 356 V CA 0.296 62.332 62.300 -0.440 0.000 1.002 356 V CB -0.375 31.122 31.823 -0.544 0.000 1.000 356 V HN 0.405 nan 8.190 nan 0.000 0.477 357 I N 2.925 123.252 120.570 -0.405 0.000 3.088 357 I HA -0.214 3.956 4.170 -0.000 0.000 0.126 357 I C 0.212 176.295 176.117 -0.057 0.000 0.929 357 I CA 0.752 61.911 61.300 -0.235 0.000 2.771 357 I CB -1.255 36.500 38.000 -0.407 0.000 0.874 357 I HN 0.613 nan 8.210 nan 0.000 0.349 358 A N 5.381 128.203 122.820 0.003 0.000 2.413 358 A HA 0.922 5.242 4.320 -0.000 0.000 0.307 358 A C -1.740 175.792 177.584 -0.086 0.000 1.087 358 A CA -1.304 50.654 52.037 -0.131 0.000 0.750 358 A CB 1.539 20.396 19.000 -0.238 0.000 1.296 358 A HN 0.338 nan 8.150 nan 0.000 0.423 359 P HA 0.120 nan 4.420 nan 0.000 0.231 359 P C -0.055 177.180 177.300 -0.108 0.000 1.168 359 P CA 0.880 63.885 63.100 -0.159 0.000 0.779 359 P CB 0.171 31.694 31.700 -0.295 0.000 0.844 360 I N 0.108 120.557 120.570 -0.201 0.000 2.389 360 I HA 0.281 4.451 4.170 -0.000 0.000 0.288 360 I C -0.570 175.298 176.117 -0.416 0.000 0.999 360 I CA -1.000 60.145 61.300 -0.258 0.000 1.129 360 I CB 2.663 40.585 38.000 -0.131 0.000 1.288 360 I HN -0.381 nan 8.210 nan 0.000 0.444 361 V N 4.294 123.793 119.914 -0.691 0.000 2.588 361 V HA 0.452 4.572 4.120 -0.000 0.000 0.304 361 V C 0.103 175.852 176.094 -0.575 0.000 1.042 361 V CA -0.600 61.254 62.300 -0.743 0.000 0.877 361 V CB 2.200 33.315 31.823 -1.179 0.000 0.996 361 V HN 0.833 nan 8.190 nan 0.000 0.425 362 T N 0.279 114.674 114.554 -0.264 0.000 2.875 362 T HA 0.448 4.798 4.350 -0.000 0.000 0.284 362 T C 0.718 175.425 174.700 0.013 0.000 0.995 362 T CA -0.561 61.488 62.100 -0.086 0.000 1.060 362 T CB 2.145 70.973 68.868 -0.067 0.000 0.967 362 T HN 0.497 nan 8.240 nan 0.000 0.476 363 E N 1.622 121.896 120.200 0.123 0.000 2.002 363 E HA 0.001 4.351 4.350 -0.000 0.000 0.205 363 E C 0.843 177.476 176.600 0.055 0.000 1.020 363 E CA 1.188 57.675 56.400 0.144 0.000 0.856 363 E CB -0.065 29.705 29.700 0.118 0.000 0.788 363 E HN 0.799 nan 8.360 nan 0.000 0.477 364 R N -1.547 118.967 120.500 0.025 0.000 3.926 364 R HA -0.037 4.303 4.340 -0.000 0.000 0.262 364 R C -1.510 174.789 176.300 -0.001 0.000 0.942 364 R CA -0.278 55.824 56.100 0.002 0.000 0.876 364 R CB -0.315 29.984 30.300 -0.001 0.000 1.361 364 R HN 0.142 nan 8.270 nan 0.000 0.546 365 N N 1.233 119.928 118.700 -0.007 0.000 2.206 365 N HA -0.036 4.704 4.740 -0.000 0.000 0.283 365 N C 0.041 175.545 175.510 -0.010 0.000 1.385 365 N CA 1.281 54.325 53.050 -0.010 0.000 1.002 365 N CB 0.409 38.890 38.487 -0.010 0.000 1.423 365 N HN 0.696 nan 8.380 nan 0.000 0.488 366 G N -0.204 108.591 108.800 -0.009 0.000 3.400 366 G HA2 0.610 4.570 3.960 -0.000 0.000 0.167 366 G HA3 0.610 4.570 3.960 -0.000 0.000 0.167 366 G C 0.199 175.096 174.900 -0.005 0.000 1.196 366 G CA 0.141 45.239 45.100 -0.003 0.000 1.174 366 G HN 0.577 nan 8.290 nan 0.000 0.681 367 G N -1.090 107.714 108.800 0.007 0.000 2.844 367 G HA2 0.602 4.562 3.960 -0.000 0.000 0.204 367 G HA3 0.602 4.562 3.960 -0.000 0.000 0.204 367 G C 0.635 175.563 174.900 0.048 0.000 1.815 367 G CA 1.482 46.597 45.100 0.025 0.000 0.739 367 G HN 1.597 nan 8.290 nan 0.000 0.807 368 A N -1.943 120.930 122.820 0.088 0.000 1.621 368 A HA 0.798 5.118 4.320 -0.000 0.000 0.212 368 A C 0.699 178.344 177.584 0.102 0.000 1.760 368 A CA 1.574 53.663 52.037 0.086 0.000 1.251 368 A CB -0.272 18.781 19.000 0.089 0.000 1.168 368 A HN 2.550 nan 8.150 nan 0.000 0.463 369 A N -1.715 121.222 122.820 0.195 0.000 2.435 369 A HA 0.380 4.699 4.320 -0.000 0.000 0.686 369 A C -0.460 177.242 177.584 0.196 0.000 0.138 369 A CA 0.277 52.372 52.037 0.097 0.000 0.024 369 A CB -1.579 17.415 19.000 -0.011 0.000 3.974 369 A HN 2.374 nan 8.150 nan 0.000 0.548 370 W N 0.371 121.613 121.300 -0.096 0.000 3.338 370 W HA 0.618 5.278 4.660 -0.000 0.000 0.299 370 W C -1.068 175.350 176.519 -0.168 0.000 1.226 370 W CA -0.962 56.306 57.345 -0.129 0.000 1.183 370 W CB 0.373 29.778 29.460 -0.091 0.000 1.360 370 W HN 1.074 nan 8.180 nan 0.000 0.569 371 R N 2.307 122.783 120.500 -0.040 0.000 2.312 371 R HA 0.331 4.671 4.340 -0.000 0.000 0.311 371 R C 0.521 176.834 176.300 0.022 0.000 1.004 371 R CA -0.764 55.148 56.100 -0.314 0.000 0.902 371 R CB 2.028 31.791 30.300 -0.895 0.000 1.073 371 R HN 0.340 nan 8.270 nan 0.000 0.457 372 Q N 0.417 120.189 119.800 -0.048 0.000 2.316 372 Q HA 0.042 4.382 4.340 -0.000 0.000 0.215 372 Q C 1.346 177.458 176.000 0.185 0.000 1.020 372 Q CA 0.161 56.064 55.803 0.167 0.000 0.970 372 Q CB 0.963 29.791 28.738 0.149 0.000 1.187 372 Q HN 0.758 nan 8.270 nan 0.000 0.546 373 T N -2.231 112.485 114.554 0.270 0.000 2.759 373 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 373 T C 1.795 176.592 174.700 0.161 0.000 1.042 373 T CA 1.829 64.094 62.100 0.275 0.000 1.140 373 T CB -0.524 68.532 68.868 0.313 0.000 0.864 373 T HN 0.678 nan 8.240 nan 0.000 0.455 374 I N -2.057 118.527 120.570 0.024 0.000 3.001 374 I HA 0.188 4.358 4.170 -0.000 0.000 0.268 374 I C 2.144 178.189 176.117 -0.120 0.000 1.267 374 I CA 0.382 61.604 61.300 -0.131 0.000 1.472 374 I CB -0.837 36.921 38.000 -0.404 0.000 1.089 374 I HN 0.063 nan 8.210 nan 0.000 0.468 375 F N 1.887 121.677 119.950 -0.266 0.000 2.095 375 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 375 F C 2.049 177.648 175.800 -0.336 0.000 1.104 375 F CA 1.812 59.583 58.000 -0.382 0.000 1.232 375 F CB -0.404 38.252 39.000 -0.574 0.000 0.987 375 F HN 0.006 nan 8.300 nan 0.000 0.475 376 Y N -0.051 120.339 120.300 0.151 0.000 2.220 376 Y HA 0.006 4.556 4.550 -0.000 0.000 0.291 376 Y C -0.495 175.166 175.900 -0.399 0.000 1.129 376 Y CA 0.742 58.796 58.100 -0.076 0.000 1.161 376 Y CB -2.389 36.076 38.460 0.007 0.000 0.997 376 Y HN 0.107 nan 8.280 nan 0.000 0.522 377 P HA -0.197 nan 4.420 nan 0.000 0.216 377 P C 1.551 178.570 177.300 -0.468 0.000 1.150 377 P CA 1.469 64.006 63.100 -0.939 0.000 0.837 377 P CB -0.220 30.822 31.700 -1.096 0.000 0.786 378 F N -0.494 119.239 119.950 -0.361 0.000 2.102 378 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 378 F C 2.391 178.036 175.800 -0.258 0.000 1.105 378 F CA 1.498 59.364 58.000 -0.224 0.000 1.239 378 F CB -0.694 38.148 39.000 -0.263 0.000 0.991 378 F HN -0.228 nan 8.300 nan 0.000 0.474 379 M N -0.548 119.001 119.600 -0.084 0.000 2.108 379 M HA -0.281 4.199 4.480 -0.000 0.000 0.261 379 M C 2.351 178.585 176.300 -0.109 0.000 1.066 379 M CA 1.867 57.079 55.300 -0.146 0.000 1.107 379 M CB -0.646 31.871 32.600 -0.139 0.000 1.356 379 M HN 0.216 nan 8.290 nan 0.000 0.406 380 H N -0.151 118.947 119.070 0.047 0.000 2.321 380 H HA -0.031 4.524 4.556 -0.000 0.000 0.300 380 H C 2.150 177.492 175.328 0.022 0.000 1.087 380 H CA 1.786 57.913 56.048 0.130 0.000 1.319 380 H CB -0.852 29.134 29.762 0.374 0.000 1.379 380 H HN 0.516 nan 8.280 nan 0.000 0.501 381 A N 0.152 123.008 122.820 0.060 0.000 1.877 381 A HA -0.187 4.132 4.320 -0.000 0.000 0.216 381 A C 2.760 180.045 177.584 -0.498 0.000 1.186 381 A CA 2.061 54.159 52.037 0.102 0.000 0.620 381 A CB -0.841 18.227 19.000 0.115 0.000 0.822 381 A HN 0.411 nan 8.150 nan 0.000 0.443 382 S N -0.946 114.246 115.700 -0.848 0.000 2.383 382 S HA -0.151 4.318 4.470 -0.000 0.000 0.227 382 S C 2.081 176.323 174.600 -0.596 0.000 1.026 382 S CA 1.830 59.335 58.200 -1.159 0.000 0.981 382 S CB -0.254 62.608 63.200 -0.564 0.000 0.818 382 S HN 0.604 nan 8.310 nan 0.000 0.472 383 K N -1.018 119.137 120.400 -0.408 0.000 2.044 383 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 383 K C 1.093 177.479 176.600 -0.357 0.000 1.049 383 K CA 1.181 57.205 56.287 -0.439 0.000 0.945 383 K CB -0.137 31.960 32.500 -0.672 0.000 0.724 383 K HN 0.471 nan 8.250 nan 0.000 0.440 384 Y N -0.941 119.422 120.300 0.104 0.000 2.458 384 Y HA 0.278 4.828 4.550 -0.000 0.000 0.256 384 Y C 1.395 177.392 175.900 0.162 0.000 1.159 384 Y CA -0.006 58.197 58.100 0.172 0.000 1.261 384 Y CB 0.727 39.354 38.460 0.279 0.000 1.119 384 Y HN 0.070 nan 8.280 nan 0.000 0.524 385 G N 1.004 109.946 108.800 0.237 0.000 3.678 385 G HA2 0.148 4.108 3.960 -0.000 0.000 0.287 385 G HA3 0.148 4.108 3.960 -0.000 0.000 0.287 385 G C 0.166 175.173 174.900 0.178 0.000 1.280 385 G CA -0.418 44.785 45.100 0.172 0.000 1.118 385 G HN -0.105 nan 8.290 nan 0.000 0.563 386 R N 0.623 121.180 120.500 0.094 0.000 2.265 386 R HA 0.701 5.041 4.340 -0.000 0.000 0.328 386 R C 0.400 176.712 176.300 0.021 0.000 0.969 386 R CA 0.245 56.395 56.100 0.082 0.000 0.832 386 R CB 1.372 31.701 30.300 0.048 0.000 1.139 386 R HN 0.381 nan 8.270 nan 0.000 0.457 387 G N 2.383 111.190 108.800 0.012 0.000 2.384 387 G HA2 0.029 3.989 3.960 -0.000 0.000 0.113 387 G HA3 0.029 3.989 3.960 -0.000 0.000 0.113 387 G C -1.310 173.583 174.900 -0.011 0.000 1.224 387 G CA -0.869 44.211 45.100 -0.033 0.000 1.126 387 G HN 0.360 nan 8.290 nan 0.000 0.461 388 I N 1.446 122.016 120.570 -0.001 0.000 2.389 388 I HA 0.461 4.631 4.170 -0.000 0.000 0.288 388 I C 0.205 176.345 176.117 0.039 0.000 0.999 388 I CA -1.026 60.298 61.300 0.040 0.000 1.129 388 I CB 1.972 40.031 38.000 0.099 0.000 1.288 388 I HN 0.285 nan 8.210 nan 0.000 0.444 389 V N 6.940 126.860 119.914 0.010 0.000 2.572 389 V HA 0.118 4.238 4.120 -0.000 0.000 0.291 389 V C 0.157 176.253 176.094 0.003 0.000 1.039 389 V CA -0.254 62.035 62.300 -0.018 0.000 1.055 389 V CB 0.732 32.532 31.823 -0.040 0.000 0.969 389 V HN 0.338 nan 8.190 nan 0.000 0.482 390 L N 3.821 125.035 121.223 -0.015 0.000 2.334 390 L HA 0.412 4.752 4.340 -0.000 0.000 0.275 390 L C 0.359 177.188 176.870 -0.069 0.000 1.036 390 L CA -0.240 54.596 54.840 -0.007 0.000 0.807 390 L CB 1.222 43.279 42.059 -0.003 0.000 1.231 390 L HN 0.565 nan 8.230 nan 0.000 0.438 391 Q N 4.418 124.155 119.800 -0.105 0.000 2.239 391 Q HA 0.062 4.402 4.340 -0.000 0.000 0.286 391 Q C -2.018 173.835 176.000 -0.244 0.000 1.102 391 Q CA -1.042 54.618 55.803 -0.239 0.000 0.936 391 Q CB 0.544 28.969 28.738 -0.522 0.000 1.127 391 Q HN 0.244 nan 8.270 nan 0.000 0.380 392 P HA 0.049 nan 4.420 nan 0.000 0.244 392 P C -0.543 176.665 177.300 -0.153 0.000 1.769 392 P CA -0.121 62.892 63.100 -0.144 0.000 1.102 392 P CB -0.184 31.450 31.700 -0.111 0.000 1.937 393 V N 4.646 124.447 119.914 -0.187 0.000 2.470 393 V HA 0.263 4.382 4.120 -0.000 0.000 0.276 393 V C 0.804 176.843 176.094 -0.091 0.000 1.040 393 V CA -0.124 62.081 62.300 -0.157 0.000 1.008 393 V CB 0.405 32.119 31.823 -0.183 0.000 0.990 393 V HN 0.409 nan 8.190 nan 0.000 0.477 394 I N 4.305 124.835 120.570 -0.067 0.000 2.722 394 I HA 0.507 4.677 4.170 -0.000 0.000 0.292 394 I C -1.152 174.948 176.117 -0.028 0.000 1.267 394 I CA -0.517 60.756 61.300 -0.044 0.000 1.036 394 I CB 2.351 40.325 38.000 -0.044 0.000 1.281 394 I HN 0.734 nan 8.210 nan 0.000 0.423 395 N N 4.254 122.944 118.700 -0.016 0.000 2.577 395 N HA 0.366 5.106 4.740 -0.000 0.000 0.275 395 N C -1.645 173.866 175.510 0.002 0.000 1.091 395 N CA -0.222 52.824 53.050 -0.007 0.000 0.843 395 N CB 1.476 39.961 38.487 -0.004 0.000 1.295 395 N HN 0.491 nan 8.380 nan 0.000 0.530 396 S N 3.018 118.722 115.700 0.006 0.000 2.537 396 S HA 0.668 5.137 4.470 -0.000 0.000 0.301 396 S C -2.591 172.026 174.600 0.028 0.000 1.092 396 S CA -1.430 56.781 58.200 0.018 0.000 1.048 396 S CB 0.867 64.079 63.200 0.021 0.000 1.053 396 S HN 0.275 nan 8.310 nan 0.000 0.501 397 P HA 0.176 nan 4.420 nan 0.000 0.268 397 P C -0.759 176.586 177.300 0.075 0.000 1.208 397 P CA -0.112 63.022 63.100 0.055 0.000 0.777 397 P CB 0.304 32.043 31.700 0.064 0.000 0.875 398 L N 2.684 123.948 121.223 0.068 0.000 2.365 398 L HA 0.585 4.925 4.340 -0.000 0.000 0.267 398 L C 0.603 177.554 176.870 0.136 0.000 1.033 398 L CA -0.709 54.161 54.840 0.050 0.000 0.802 398 L CB 1.046 43.110 42.059 0.007 0.000 1.267 398 L HN 0.640 nan 8.230 nan 0.000 0.457 399 H N -1.502 117.589 119.070 0.034 0.000 3.079 399 H HA 0.404 4.960 4.556 -0.000 0.000 0.356 399 H C -1.961 173.396 175.328 0.050 0.000 1.221 399 H CA -0.882 55.193 56.048 0.045 0.000 1.185 399 H CB 1.816 31.611 29.762 0.056 0.000 1.882 399 H HN 0.400 nan 8.280 nan 0.000 0.543 400 D N 2.080 122.554 120.400 0.122 0.000 2.175 400 D HA 0.318 4.957 4.640 -0.000 0.000 0.248 400 D C 0.657 177.067 176.300 0.184 0.000 1.047 400 D CA 0.104 54.156 54.000 0.086 0.000 0.883 400 D CB 2.224 43.069 40.800 0.074 0.000 1.180 400 D HN 0.720 nan 8.370 nan 0.000 0.438 401 T N -2.754 111.896 114.554 0.161 0.000 2.870 401 T HA 0.333 4.682 4.350 -0.000 0.000 0.277 401 T C 1.410 176.190 174.700 0.133 0.000 1.000 401 T CA -0.321 61.891 62.100 0.186 0.000 0.982 401 T CB 0.902 69.900 68.868 0.216 0.000 1.249 401 T HN 0.186 nan 8.240 nan 0.000 0.589 402 S N 0.110 115.883 115.700 0.122 0.000 2.399 402 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 402 S C 1.328 175.952 174.600 0.041 0.000 1.022 402 S CA 0.769 59.016 58.200 0.078 0.000 0.983 402 S CB -0.563 62.681 63.200 0.072 0.000 0.803 402 S HN 0.761 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 -0.846 175.551 176.600 -0.338 0.000 1.086 403 K CA -0.136 56.080 56.287 -0.119 0.000 1.052 403 K CB 0.699 33.110 32.500 -0.149 0.000 0.904 403 K HN 0.455 nan 8.250 nan 0.000 0.557 404 H N -0.645 118.430 119.070 0.009 0.000 2.821 404 H HA 0.286 4.841 4.556 -0.000 0.000 0.373 404 H C -0.995 174.321 175.328 -0.020 0.000 1.165 404 H CA -0.610 55.432 56.048 -0.011 0.000 1.154 404 H CB 1.878 31.622 29.762 -0.030 0.000 1.765 404 H HN -0.222 nan 8.280 nan 0.000 0.549 405 E N 0.398 120.653 120.200 0.093 0.000 2.227 405 E HA 0.205 4.555 4.350 -0.000 0.000 0.268 405 E C -0.826 175.772 176.600 -0.004 0.000 0.907 405 E CA -0.998 55.422 56.400 0.032 0.000 0.786 405 E CB 1.485 31.198 29.700 0.022 0.000 1.191 405 E HN 0.855 nan 8.360 nan 0.000 0.411 406 D N -0.410 119.969 120.400 -0.035 0.000 2.686 406 D HA -0.149 4.491 4.640 -0.000 0.000 0.235 406 D C -0.257 175.974 176.300 -0.115 0.000 1.160 406 D CA 0.571 54.536 54.000 -0.058 0.000 0.645 406 D CB -1.603 39.185 40.800 -0.020 0.000 1.039 406 D HN 0.249 nan 8.370 nan 0.000 0.423 407 V N 1.030 120.791 119.914 -0.254 0.000 2.488 407 V HA 0.190 4.310 4.120 -0.000 0.000 0.277 407 V C 1.452 177.345 176.094 -0.335 0.000 1.046 407 V CA -0.287 61.804 62.300 -0.349 0.000 0.986 407 V CB 1.227 32.726 31.823 -0.541 0.000 0.989 407 V HN 0.393 nan 8.190 nan 0.000 0.475 408 T N 0.662 115.135 114.554 -0.135 0.000 2.902 408 T HA 0.051 4.401 4.350 -0.000 0.000 0.301 408 T C 0.658 175.398 174.700 0.066 0.000 1.012 408 T CA -0.419 61.664 62.100 -0.028 0.000 1.151 408 T CB 0.675 69.536 68.868 -0.013 0.000 0.946 408 T HN 0.633 nan 8.240 nan 0.000 0.542 409 D N 1.323 121.813 120.400 0.150 0.000 2.117 409 D HA 0.063 4.702 4.640 -0.000 0.000 0.198 409 D C 0.473 176.835 176.300 0.102 0.000 0.982 409 D CA 0.850 54.968 54.000 0.196 0.000 0.828 409 D CB -0.128 40.763 40.800 0.152 0.000 0.967 409 D HN 0.521 nan 8.370 nan 0.000 0.464 410 I N 0.559 121.167 120.570 0.063 0.000 2.353 410 I HA 0.187 4.356 4.170 -0.000 0.000 0.293 410 I C -0.458 175.674 176.117 0.026 0.000 0.992 410 I CA -0.505 60.819 61.300 0.039 0.000 1.268 410 I CB 1.604 39.619 38.000 0.025 0.000 1.387 410 I HN -0.274 nan 8.210 nan 0.000 0.478 411 E N 4.567 124.783 120.200 0.026 0.000 2.185 411 E HA 0.641 4.991 4.350 -0.000 0.000 0.261 411 E C -1.350 175.262 176.600 0.020 0.000 0.879 411 E CA -0.219 56.192 56.400 0.018 0.000 0.756 411 E CB 1.277 30.990 29.700 0.021 0.000 1.152 411 E HN 0.432 nan 8.360 nan 0.000 0.416 412 S N 2.789 118.491 115.700 0.003 0.000 2.564 412 S HA 0.814 5.284 4.470 -0.000 0.000 0.274 412 S C -1.917 172.668 174.600 -0.026 0.000 1.124 412 S CA -0.657 57.541 58.200 -0.004 0.000 0.869 412 S CB 1.550 64.740 63.200 -0.017 0.000 1.105 412 S HN 0.332 nan 8.310 nan 0.000 0.472 413 V N 2.149 122.040 119.914 -0.037 0.000 2.924 413 V HA 0.812 4.931 4.120 -0.000 0.000 0.300 413 V C -0.835 175.167 176.094 -0.152 0.000 1.227 413 V CA -0.149 62.099 62.300 -0.088 0.000 0.954 413 V CB 1.775 33.548 31.823 -0.083 0.000 1.055 413 V HN 1.243 nan 8.190 nan 0.000 0.429 414 A N 6.523 129.257 122.820 -0.142 0.000 2.304 414 A HA 0.909 5.229 4.320 -0.000 0.000 0.323 414 A C -0.709 176.787 177.584 -0.146 0.000 1.195 414 A CA -0.477 51.468 52.037 -0.153 0.000 0.826 414 A CB 0.967 19.914 19.000 -0.088 0.000 1.184 414 A HN 1.490 nan 8.150 nan 0.000 0.496 415 I N -0.092 120.363 120.570 -0.191 0.000 2.433 415 I HA 0.657 4.827 4.170 -0.000 0.000 0.292 415 I C -1.033 175.086 176.117 0.003 0.000 1.001 415 I CA -0.792 60.446 61.300 -0.104 0.000 1.119 415 I CB 1.525 39.427 38.000 -0.163 0.000 1.289 415 I HN 0.561 nan 8.210 nan 0.000 0.438 416 Y N 6.890 127.149 120.300 -0.068 0.000 2.353 416 Y HA 0.569 5.119 4.550 -0.000 0.000 0.340 416 Y C -0.915 174.973 175.900 -0.021 0.000 0.972 416 Y CA -0.603 57.472 58.100 -0.041 0.000 1.157 416 Y CB 0.620 39.065 38.460 -0.024 0.000 1.157 416 Y HN 0.826 nan 8.280 nan 0.000 0.495 417 N N 4.182 122.637 118.700 -0.407 0.000 2.269 417 N HA 0.328 5.068 4.740 -0.000 0.000 0.304 417 N C -0.721 174.462 175.510 -0.546 0.000 1.072 417 N CA -0.282 52.481 53.050 -0.479 0.000 0.802 417 N CB 1.584 39.957 38.487 -0.190 0.000 1.348 417 N HN 0.880 nan 8.380 nan 0.000 0.484 418 E N 1.029 120.931 120.200 -0.496 0.000 2.321 418 E HA 0.080 4.430 4.350 -0.000 0.000 0.158 418 E C -0.267 176.173 176.600 -0.267 0.000 0.877 418 E CA -0.122 55.851 56.400 -0.712 0.000 1.344 418 E CB -0.150 29.209 29.700 -0.569 0.000 1.630 418 E HN 0.554 nan 8.360 nan 0.000 0.669 419 E N -0.274 119.834 120.200 -0.153 0.000 1.731 419 E HA -0.040 4.310 4.350 -0.000 0.000 0.167 419 E C 0.300 176.864 176.600 -0.060 0.000 0.754 419 E CA 0.864 57.208 56.400 -0.093 0.000 1.208 419 E CB -0.185 29.448 29.700 -0.112 0.000 3.092 419 E HN 0.060 nan 8.360 nan 0.000 0.554 420 K N 0.160 120.529 120.400 -0.052 0.000 1.059 420 K HA -0.084 4.236 4.320 -0.000 0.000 0.108 420 K C -0.318 176.258 176.600 -0.040 0.000 2.387 420 K CA 1.145 57.406 56.287 -0.044 0.000 1.035 420 K CB -1.396 31.069 32.500 -0.059 0.000 2.669 420 K HN 0.301 nan 8.250 nan 0.000 0.330 421 E N 0.956 121.111 120.200 -0.074 0.000 2.442 421 E HA -0.159 4.191 4.350 -0.000 0.000 0.256 421 E C -0.909 175.711 176.600 0.033 0.000 1.095 421 E CA 1.348 57.751 56.400 0.005 0.000 0.747 421 E CB -0.896 28.827 29.700 0.038 0.000 1.310 421 E HN 0.664 nan 8.360 nan 0.000 0.396 422 E N -0.700 119.492 120.200 -0.014 0.000 2.288 422 E HA 0.564 4.914 4.350 -0.000 0.000 0.268 422 E C -0.900 175.730 176.600 0.050 0.000 0.885 422 E CA -0.945 55.461 56.400 0.010 0.000 0.767 422 E CB 2.523 32.218 29.700 -0.009 0.000 1.220 422 E HN -0.048 nan 8.360 nan 0.000 0.427 423 V N 1.864 121.806 119.914 0.047 0.000 2.495 423 V HA 0.431 4.551 4.120 -0.000 0.000 0.298 423 V C -0.520 175.547 176.094 -0.044 0.000 1.031 423 V CA -0.570 61.758 62.300 0.047 0.000 0.871 423 V CB 2.038 33.893 31.823 0.053 0.000 0.988 423 V HN 0.710 nan 8.190 nan 0.000 0.432 424 T N 5.787 120.300 114.554 -0.068 0.000 2.809 424 T HA 0.634 4.984 4.350 -0.000 0.000 0.284 424 T C -0.413 174.191 174.700 -0.160 0.000 0.992 424 T CA -0.175 61.870 62.100 -0.091 0.000 0.957 424 T CB 1.144 70.003 68.868 -0.016 0.000 0.942 424 T HN 0.373 nan 8.240 nan 0.000 0.439 425 I N 4.021 124.546 120.570 -0.074 0.000 2.312 425 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 425 I C -0.721 175.461 176.117 0.108 0.000 1.008 425 I CA -0.734 60.530 61.300 -0.060 0.000 1.226 425 I CB 0.714 38.682 38.000 -0.054 0.000 1.371 425 I HN 0.440 nan 8.210 nan 0.000 0.468 426 F N 5.292 125.117 119.950 -0.208 0.000 2.410 426 F HA 0.696 5.223 4.527 -0.000 0.000 0.349 426 F C 0.501 176.125 175.800 -0.293 0.000 1.117 426 F CA -1.478 56.303 58.000 -0.366 0.000 1.104 426 F CB 1.257 40.099 39.000 -0.262 0.000 1.122 426 F HN 0.387 nan 8.300 nan 0.000 0.483 427 A N 3.366 126.061 122.820 -0.208 0.000 2.455 427 A HA 0.809 5.129 4.320 -0.000 0.000 0.300 427 A C -1.532 175.996 177.584 -0.094 0.000 1.040 427 A CA -0.614 51.363 52.037 -0.101 0.000 0.697 427 A CB 1.610 20.575 19.000 -0.059 0.000 1.265 427 A HN 0.485 nan 8.150 nan 0.000 0.407 428 V N 1.550 121.474 119.914 0.016 0.000 2.914 428 V HA 0.621 4.741 4.120 -0.000 0.000 0.314 428 V C -0.237 175.894 176.094 0.062 0.000 1.084 428 V CA -0.449 61.897 62.300 0.077 0.000 0.963 428 V CB 2.359 34.275 31.823 0.153 0.000 1.025 428 V HN 0.995 nan 8.190 nan 0.000 0.432 429 N N 1.986 120.728 118.700 0.070 0.000 2.595 429 N HA 0.186 4.926 4.740 -0.000 0.000 0.291 429 N C 0.816 176.352 175.510 0.043 0.000 1.706 429 N CA -0.186 52.898 53.050 0.056 0.000 0.867 429 N CB -0.018 38.502 38.487 0.054 0.000 1.414 429 N HN 0.616 nan 8.380 nan 0.000 0.492 430 R N -0.157 120.365 120.500 0.036 0.000 4.010 430 R HA -0.296 4.043 4.340 -0.000 0.000 0.373 430 R C -0.747 175.528 176.300 -0.041 0.000 1.197 430 R CA 2.014 58.128 56.100 0.024 0.000 1.293 430 R CB -1.317 29.023 30.300 0.067 0.000 1.793 430 R HN 0.557 nan 8.270 nan 0.000 0.575 431 N N -0.813 117.843 118.700 -0.075 0.000 2.639 431 N HA 0.129 4.869 4.740 -0.000 0.000 0.265 431 N C 0.364 175.807 175.510 -0.113 0.000 1.689 431 N CA 0.252 53.190 53.050 -0.188 0.000 0.813 431 N CB 0.356 38.705 38.487 -0.229 0.000 1.353 431 N HN 0.249 nan 8.380 nan 0.000 0.510 432 I N -0.282 120.227 120.570 -0.102 0.000 4.053 432 I HA -0.424 3.746 4.170 -0.000 0.000 0.131 432 I C -0.364 175.525 176.117 -0.380 0.000 0.700 432 I CA 1.937 63.088 61.300 -0.248 0.000 1.256 432 I CB -1.234 36.542 38.000 -0.373 0.000 1.209 432 I HN 0.688 nan 8.210 nan 0.000 0.193 433 H N -0.010 119.059 119.070 -0.001 0.000 1.997 433 H HA 0.236 4.792 4.556 -0.000 0.000 0.148 433 H C 0.353 175.685 175.328 0.007 0.000 1.058 433 H CA 0.107 56.157 56.048 0.004 0.000 1.092 433 H CB 0.220 29.974 29.762 -0.013 0.000 0.873 433 H HN 0.381 nan 8.280 nan 0.000 0.301 434 E N 2.785 123.073 120.200 0.145 0.000 2.249 434 E HA 0.149 4.499 4.350 -0.000 0.000 0.280 434 E C -0.993 175.638 176.600 0.051 0.000 1.016 434 E CA -0.679 55.767 56.400 0.076 0.000 0.830 434 E CB 1.451 31.188 29.700 0.061 0.000 1.081 434 E HN 0.186 nan 8.360 nan 0.000 0.395 435 D N 3.042 123.468 120.400 0.043 0.000 2.443 435 D HA 0.167 4.807 4.640 -0.000 0.000 0.239 435 D C 0.351 176.668 176.300 0.028 0.000 1.136 435 D CA 0.300 54.320 54.000 0.034 0.000 0.879 435 D CB 0.668 41.484 40.800 0.027 0.000 1.195 435 D HN 0.422 nan 8.370 nan 0.000 0.443 436 I N -2.100 118.485 120.570 0.025 0.000 2.730 436 I HA 0.426 4.596 4.170 -0.000 0.000 0.298 436 I C -0.545 175.578 176.117 0.012 0.000 1.089 436 I CA -1.396 59.916 61.300 0.020 0.000 1.041 436 I CB 2.121 40.136 38.000 0.026 0.000 1.235 436 I HN 0.038 nan 8.210 nan 0.000 0.423 437 V N 6.165 126.082 119.914 0.006 0.000 2.406 437 V HA 0.396 4.516 4.120 -0.000 0.000 0.272 437 V C -0.589 175.505 176.094 -0.000 0.000 1.043 437 V CA -0.426 61.872 62.300 -0.003 0.000 0.915 437 V CB 1.313 33.132 31.823 -0.007 0.000 0.988 437 V HN 0.635 nan 8.190 nan 0.000 0.466 438 L N 8.100 129.321 121.223 -0.004 0.000 2.259 438 L HA 0.497 4.837 4.340 -0.000 0.000 0.288 438 L C -0.259 176.611 176.870 0.001 0.000 1.051 438 L CA 0.247 55.087 54.840 0.000 0.000 0.824 438 L CB 1.364 43.424 42.059 0.002 0.000 1.206 438 L HN 0.522 nan 8.230 nan 0.000 0.429 439 V N 4.613 124.530 119.914 0.004 0.000 2.356 439 V HA 0.255 4.375 4.120 -0.000 0.000 0.258 439 V C 0.448 176.550 176.094 0.014 0.000 1.065 439 V CA -0.146 62.160 62.300 0.010 0.000 0.935 439 V CB 0.347 32.174 31.823 0.006 0.000 1.061 439 V HN 0.844 nan 8.190 nan 0.000 0.484 440 S N 3.574 119.290 115.700 0.027 0.000 2.404 440 S HA 0.164 4.633 4.470 -0.000 0.000 0.309 440 S C 0.098 174.730 174.600 0.053 0.000 1.076 440 S CA -0.436 57.781 58.200 0.029 0.000 1.095 440 S CB 0.416 63.629 63.200 0.021 0.000 0.972 440 S HN 0.800 nan 8.310 nan 0.000 0.484 441 D N 3.952 124.373 120.400 0.034 0.000 2.470 441 D HA 0.097 4.737 4.640 -0.000 0.000 0.226 441 D C -0.026 176.301 176.300 0.046 0.000 1.196 441 D CA -0.484 53.539 54.000 0.038 0.000 0.979 441 D CB 0.111 40.922 40.800 0.018 0.000 1.059 441 D HN 0.244 nan 8.370 nan 0.000 0.515 442 V N 2.684 122.650 119.914 0.087 0.000 2.421 442 V HA 0.325 4.445 4.120 -0.000 0.000 0.271 442 V C 1.706 177.834 176.094 0.056 0.000 1.031 442 V CA -0.016 62.333 62.300 0.081 0.000 1.032 442 V CB -0.083 31.838 31.823 0.164 0.000 1.009 442 V HN 0.475 nan 8.190 nan 0.000 0.477 443 R N 3.033 123.547 120.500 0.023 0.000 2.466 443 R HA 0.509 4.849 4.340 -0.000 0.000 0.279 443 R C 1.356 177.652 176.300 -0.007 0.000 0.976 443 R CA 0.559 56.665 56.100 0.011 0.000 1.081 443 R CB -0.014 30.294 30.300 0.014 0.000 1.215 443 R HN 0.871 nan 8.270 nan 0.000 0.546 444 G N -0.607 108.185 108.800 -0.014 0.000 2.726 444 G HA2 0.467 4.427 3.960 -0.000 0.000 0.221 444 G HA3 0.467 4.427 3.960 -0.000 0.000 0.221 444 G C 0.323 175.215 174.900 -0.014 0.000 1.327 444 G CA 1.137 46.210 45.100 -0.045 0.000 0.884 444 G HN 0.612 nan 8.290 nan 0.000 0.581 450 L N 3.970 125.153 121.223 -0.066 0.000 2.407 450 L HA 0.201 4.541 4.340 -0.000 0.000 0.282 450 L C 0.842 177.681 176.870 -0.051 0.000 1.110 450 L CA -0.183 54.576 54.840 -0.135 0.000 0.863 450 L CB 0.296 42.331 42.059 -0.041 0.000 1.207 450 L HN 0.772 nan 8.230 nan 0.000 0.454 451 L N 3.486 124.665 121.223 -0.073 0.000 2.021 451 L HA -0.170 4.169 4.340 -0.000 0.000 0.244 451 L C 0.931 177.770 176.870 -0.052 0.000 1.094 451 L CA 2.117 56.922 54.840 -0.058 0.000 0.842 451 L CB -0.672 41.341 42.059 -0.077 0.000 0.921 451 L HN 0.818 nan 8.230 nan 0.000 0.435 452 E N -2.083 118.071 120.200 -0.078 0.000 2.449 452 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 452 E C -1.248 175.325 176.600 -0.046 0.000 0.992 452 E CA -0.834 55.533 56.400 -0.055 0.000 0.807 452 E CB 1.597 31.254 29.700 -0.072 0.000 1.350 452 E HN 0.308 nan 8.360 nan 0.000 0.462 453 H N 0.927 119.920 119.070 -0.128 0.000 2.953 453 H HA 0.416 4.972 4.556 -0.000 0.000 0.290 453 H C -1.274 173.968 175.328 -0.144 0.000 1.113 453 H CA -0.456 55.505 56.048 -0.145 0.000 1.454 453 H CB 0.390 30.087 29.762 -0.108 0.000 1.525 453 H HN 0.465 nan 8.280 nan 0.000 0.505 454 I N 4.969 125.257 120.570 -0.470 0.000 2.474 454 I HA 0.257 4.427 4.170 -0.000 0.000 0.287 454 I C -0.242 175.582 176.117 -0.489 0.000 1.048 454 I CA -0.660 60.405 61.300 -0.391 0.000 1.383 454 I CB 1.320 39.079 38.000 -0.402 0.000 1.412 454 I HN 0.307 nan 8.210 nan 0.000 0.531 455 V N 7.457 127.232 119.914 -0.233 0.000 2.914 455 V HA 0.579 4.699 4.120 -0.000 0.000 0.314 455 V C -1.311 174.825 176.094 0.069 0.000 1.084 455 V CA -0.710 61.518 62.300 -0.120 0.000 0.963 455 V CB 2.548 34.347 31.823 -0.040 0.000 1.025 455 V HN 0.518 nan 8.190 nan 0.000 0.432 456 L N 5.771 127.124 121.223 0.217 0.000 2.471 456 L HA 0.635 4.975 4.340 -0.000 0.000 0.263 456 L C -0.486 176.632 176.870 0.413 0.000 0.985 456 L CA 0.201 55.245 54.840 0.339 0.000 0.868 456 L CB 1.317 43.720 42.059 0.574 0.000 1.203 456 L HN 0.850 nan 8.230 nan 0.000 0.429 457 E N 2.327 122.599 120.200 0.120 0.000 2.446 457 E HA 0.617 4.967 4.350 -0.000 0.000 0.276 457 E C -1.509 174.706 176.600 -0.642 0.000 0.969 457 E CA -0.991 55.337 56.400 -0.119 0.000 0.800 457 E CB 2.790 32.476 29.700 -0.023 0.000 1.341 457 E HN 0.531 nan 8.360 nan 0.000 0.460 458 H N -0.924 117.548 119.070 -0.996 0.000 3.037 458 H HA 0.063 4.619 4.556 -0.000 0.000 0.336 458 H C -0.351 174.777 175.328 -0.333 0.000 1.323 458 H CA -0.156 55.483 56.048 -0.681 0.000 1.159 458 H CB 1.970 31.231 29.762 -0.834 0.000 1.882 458 H HN 0.637 nan 8.280 nan 0.000 0.535 459 Q N 0.528 120.177 119.800 -0.252 0.000 2.432 459 Q HA 0.115 4.455 4.340 -0.000 0.000 0.205 459 Q C -0.378 175.693 176.000 0.118 0.000 0.945 459 Q CA 0.926 56.699 55.803 -0.049 0.000 0.924 459 Q CB 0.627 29.306 28.738 -0.099 0.000 1.016 459 Q HN 0.323 nan 8.270 nan 0.000 0.503 460 D N -0.476 120.106 120.400 0.304 0.000 2.542 460 D HA 0.163 4.802 4.640 -0.000 0.000 0.252 460 D C -0.332 176.105 176.300 0.227 0.000 1.222 460 D CA -0.588 53.564 54.000 0.254 0.000 0.895 460 D CB 1.308 42.247 40.800 0.232 0.000 1.207 460 D HN 0.016 nan 8.370 nan 0.000 0.558 461 L N 3.208 124.582 121.223 0.253 0.000 2.375 461 L HA 0.197 4.537 4.340 -0.000 0.000 0.215 461 L C 1.710 178.761 176.870 0.301 0.000 1.108 461 L CA 1.001 56.071 54.840 0.384 0.000 0.830 461 L CB -0.245 41.977 42.059 0.272 0.000 0.959 461 L HN 0.426 nan 8.230 nan 0.000 0.457 462 K N -0.768 119.744 120.400 0.187 0.000 2.404 462 K HA 0.169 4.489 4.320 -0.000 0.000 0.194 462 K C 0.587 177.232 176.600 0.075 0.000 1.023 462 K CA -0.301 56.064 56.287 0.130 0.000 1.094 462 K CB 0.604 33.156 32.500 0.086 0.000 0.841 462 K HN 0.078 nan 8.250 nan 0.000 0.523 463 I N 2.240 122.830 120.570 0.032 0.000 2.754 463 I HA -0.038 4.131 4.170 -0.000 0.000 0.285 463 I C 0.438 176.543 176.117 -0.020 0.000 1.166 463 I CA 0.409 61.654 61.300 -0.092 0.000 1.417 463 I CB 0.278 38.013 38.000 -0.442 0.000 1.382 463 I HN 0.090 nan 8.210 nan 0.000 0.588 464 R N 4.499 124.985 120.500 -0.023 0.000 2.912 464 R HA 0.453 4.793 4.340 -0.000 0.000 0.262 464 R C -0.735 175.589 176.300 0.041 0.000 1.057 464 R CA -0.990 55.139 56.100 0.048 0.000 0.981 464 R CB 1.293 31.607 30.300 0.023 0.000 1.201 464 R HN 0.519 nan 8.270 nan 0.000 0.484 465 N N -0.108 118.669 118.700 0.128 0.000 2.482 465 N HA 0.423 5.163 4.740 -0.000 0.000 0.279 465 N C -0.610 174.756 175.510 -0.240 0.000 1.182 465 N CA -0.368 52.729 53.050 0.079 0.000 0.969 465 N CB 1.760 40.431 38.487 0.306 0.000 1.201 465 N HN 0.686 nan 8.380 nan 0.000 0.523 466 S N -2.163 113.154 115.700 -0.638 0.000 2.790 466 S HA 0.250 4.720 4.470 -0.000 0.000 0.292 466 S C 0.457 174.147 174.600 -1.517 0.000 1.197 466 S CA -0.686 56.708 58.200 -1.344 0.000 0.851 466 S CB 0.574 63.376 63.200 -0.664 0.000 1.217 466 S HN 0.129 nan 8.310 nan 0.000 0.526 467 V N 1.350 120.424 119.914 -1.400 0.000 2.913 467 V HA 0.042 4.162 4.120 -0.000 0.000 0.260 467 V C 0.035 175.892 176.094 -0.395 0.000 1.098 467 V CA 1.479 63.264 62.300 -0.859 0.000 1.121 467 V CB -1.106 30.433 31.823 -0.472 0.000 0.714 467 V HN 0.726 nan 8.190 nan 0.000 0.487 468 N N 1.597 120.081 118.700 -0.360 0.000 2.908 468 N HA 0.399 5.139 4.740 -0.000 0.000 0.316 468 N C 0.379 175.787 175.510 -0.171 0.000 1.619 468 N CA 0.713 53.638 53.050 -0.210 0.000 1.045 468 N CB 0.642 39.028 38.487 -0.168 0.000 1.357 468 N HN 0.461 nan 8.380 nan 0.000 0.501 469 G N 1.400 110.107 108.800 -0.154 0.000 2.764 469 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.686 469 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.686 469 G C -0.417 174.432 174.900 -0.085 0.000 1.258 469 G CA -0.161 44.884 45.100 -0.093 0.000 0.846 469 G HN 0.596 nan 8.290 nan 0.000 0.596 470 E N -0.442 119.775 120.200 0.028 0.000 5.193 470 E HA -0.044 4.306 4.350 -0.000 0.000 0.181 470 E C 0.324 177.054 176.600 0.216 0.000 1.240 470 E CA 1.542 58.021 56.400 0.132 0.000 1.194 470 E CB -1.088 28.640 29.700 0.047 0.000 1.015 470 E HN 1.083 nan 8.360 nan 0.000 0.369 471 E N 1.216 121.619 120.200 0.339 0.000 2.879 471 E HA 0.205 4.555 4.350 -0.000 0.000 0.206 471 E C -0.388 176.401 176.600 0.314 0.000 0.969 471 E CA 0.728 57.318 56.400 0.317 0.000 1.496 471 E CB 0.709 30.481 29.700 0.120 0.000 1.454 471 E HN 0.203 nan 8.360 nan 0.000 0.750 472 V N 3.901 123.944 119.914 0.215 0.000 2.555 472 V HA 0.119 4.239 4.120 -0.000 0.000 0.299 472 V C -0.399 175.955 176.094 0.433 0.000 1.012 472 V CA 1.025 63.486 62.300 0.269 0.000 1.180 472 V CB -1.523 30.511 31.823 0.352 0.000 0.887 472 V HN 0.323 nan 8.190 nan 0.000 0.476 473 Y N 3.881 124.231 120.300 0.083 0.000 2.604 473 Y HA 0.670 5.220 4.550 -0.000 0.000 0.331 473 Y C -3.117 172.641 175.900 -0.238 0.000 1.158 473 Y CA -3.405 54.558 58.100 -0.229 0.000 1.056 473 Y CB 1.238 39.613 38.460 -0.140 0.000 1.330 473 Y HN 0.370 nan 8.280 nan 0.000 0.457 474 P HA 0.137 nan 4.420 nan 0.000 0.270 474 P C -1.105 176.168 177.300 -0.045 0.000 1.242 474 P CA 0.074 63.133 63.100 -0.069 0.000 0.768 474 P CB 0.830 32.589 31.700 0.098 0.000 0.820 475 K N 3.133 123.472 120.400 -0.102 0.000 2.227 475 K HA 0.185 4.505 4.320 -0.000 0.000 0.280 475 K C 0.354 176.938 176.600 -0.026 0.000 1.041 475 K CA -0.495 55.748 56.287 -0.073 0.000 0.905 475 K CB 0.514 32.934 32.500 -0.134 0.000 1.068 475 K HN 0.236 nan 8.250 nan 0.000 0.470 476 N N 2.242 120.944 118.700 0.005 0.000 2.918 476 N HA 0.060 4.800 4.740 -0.000 0.000 0.247 476 N C -1.219 174.299 175.510 0.013 0.000 1.117 476 N CA -0.045 53.006 53.050 0.002 0.000 1.005 476 N CB 0.280 38.781 38.487 0.023 0.000 1.297 476 N HN 0.459 nan 8.380 nan 0.000 0.513 477 S N 1.064 116.779 115.700 0.025 0.000 2.921 477 S HA 0.745 5.215 4.470 -0.000 0.000 0.315 477 S C -0.849 173.805 174.600 0.089 0.000 1.087 477 S CA -0.777 57.452 58.200 0.048 0.000 0.877 477 S CB 1.053 64.272 63.200 0.032 0.000 1.340 477 S HN 0.463 nan 8.310 nan 0.000 0.622 478 D N -0.228 120.200 120.400 0.047 0.000 4.065 478 D HA 0.043 4.682 4.640 -0.000 0.000 0.269 478 D C -0.795 175.483 176.300 -0.037 0.000 1.946 478 D CA 0.692 54.691 54.000 -0.001 0.000 1.198 478 D CB -0.705 40.084 40.800 -0.019 0.000 0.879 478 D HN 0.594 nan 8.370 nan 0.000 1.080 479 K N -1.155 119.194 120.400 -0.086 0.000 1.893 479 K HA 0.426 4.746 4.320 -0.000 0.000 0.109 479 K C -0.998 175.469 176.600 -0.222 0.000 1.290 479 K CA 1.040 57.246 56.287 -0.134 0.000 0.342 479 K CB -1.136 31.288 32.500 -0.128 0.000 3.221 479 K HN 1.625 nan 8.250 nan 0.000 0.662 480 S N -1.008 114.601 115.700 -0.151 0.000 3.191 480 S HA 0.455 4.925 4.470 -0.000 0.000 0.218 480 S C -0.712 173.845 174.600 -0.072 0.000 0.430 480 S CA 0.631 58.739 58.200 -0.153 0.000 0.685 480 S CB -0.476 62.518 63.200 -0.343 0.000 0.700 480 S HN 2.226 nan 8.310 nan 0.000 0.714 481 S N 2.080 117.789 115.700 0.015 0.000 4.110 481 S HA 0.362 4.832 4.470 -0.000 0.000 0.186 481 S C -0.875 173.820 174.600 0.159 0.000 0.720 481 S CA 0.064 58.291 58.200 0.045 0.000 0.976 481 S CB -1.383 nan 63.200 nan 0.000 0.659 481 S HN 1.983 nan 8.310 nan 0.000 0.849 482 F N 2.343 122.272 119.950 -0.035 0.000 2.766 482 F HA 0.568 5.095 4.527 -0.000 0.000 0.355 482 F C -1.050 174.737 175.800 -0.021 0.000 1.434 482 F CA -0.697 57.287 58.000 -0.027 0.000 1.139 482 F CB 0.781 39.768 39.000 -0.022 0.000 1.816 482 F HN 0.348 nan 8.300 nan 0.000 0.600 483 D N 1.866 122.172 120.400 -0.157 0.000 2.613 483 D HA 0.191 4.831 4.640 -0.000 0.000 0.230 483 D C 0.123 176.341 176.300 -0.137 0.000 1.365 483 D CA -0.260 53.648 54.000 -0.153 0.000 0.976 483 D CB 1.240 42.005 40.800 -0.059 0.000 1.415 483 D HN 0.102 nan 8.370 nan 0.000 0.589 484 D N 1.866 122.169 120.400 -0.163 0.000 2.310 484 D HA 0.128 4.768 4.640 -0.000 0.000 0.212 484 D C 0.959 176.992 176.300 -0.444 0.000 0.965 484 D CA 1.125 54.986 54.000 -0.232 0.000 0.879 484 D CB 0.178 40.880 40.800 -0.164 0.000 0.921 484 D HN 0.708 nan 8.370 nan 0.000 0.510 485 G N 0.971 109.520 108.800 -0.417 0.000 3.019 485 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 485 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 485 G C -0.092 174.554 174.900 -0.423 0.000 1.056 485 G CA -0.520 44.205 45.100 -0.624 0.000 0.774 485 G HN 0.285 nan 8.290 nan 0.000 0.583 486 I N -0.223 120.268 120.570 -0.132 0.000 7.703 486 I HA -0.253 3.917 4.170 -0.000 0.000 0.126 486 I C 0.482 176.683 176.117 0.140 0.000 1.619 486 I CA 0.631 61.934 61.300 0.006 0.000 2.323 486 I CB -0.065 37.918 38.000 -0.028 0.000 3.283 486 I HN 1.019 nan 8.210 nan 0.000 0.248 487 L N 8.664 130.050 121.223 0.272 0.000 2.296 487 L HA 0.665 5.005 4.340 -0.000 0.000 0.286 487 L C 0.323 177.257 176.870 0.107 0.000 1.023 487 L CA 0.256 55.270 54.840 0.290 0.000 0.812 487 L CB 1.754 43.937 42.059 0.206 0.000 1.223 487 L HN 0.621 nan 8.230 nan 0.000 0.421 488 T N 0.630 115.225 114.554 0.069 0.000 2.786 488 T HA 0.685 5.035 4.350 -0.000 0.000 0.283 488 T C -0.320 174.363 174.700 -0.029 0.000 0.992 488 T CA -0.634 61.474 62.100 0.013 0.000 0.954 488 T CB 1.194 70.063 68.868 0.003 0.000 0.934 488 T HN 0.517 nan 8.240 nan 0.000 0.440 489 S N 3.698 119.370 115.700 -0.046 0.000 2.774 489 S HA 0.379 4.849 4.470 -0.000 0.000 0.297 489 S C 0.011 174.564 174.600 -0.078 0.000 1.143 489 S CA -0.828 57.308 58.200 -0.106 0.000 1.090 489 S CB 0.736 63.876 63.200 -0.100 0.000 1.019 489 S HN 0.771 nan 8.310 nan 0.000 0.482 490 M N 4.022 123.565 119.600 -0.095 0.000 2.356 490 M HA 0.175 4.655 4.480 -0.000 0.000 0.348 490 M C -0.854 175.422 176.300 -0.040 0.000 1.595 490 M CA 0.640 55.905 55.300 -0.057 0.000 1.095 490 M CB -0.198 32.369 32.600 -0.055 0.000 1.963 490 M HN 0.417 nan 8.290 nan 0.000 0.459 491 L N 3.555 124.781 121.223 0.004 0.000 2.349 491 L HA 0.548 4.888 4.340 -0.000 0.000 0.278 491 L C -0.037 176.863 176.870 0.050 0.000 0.996 491 L CA -1.072 53.794 54.840 0.044 0.000 0.825 491 L CB 1.510 43.597 42.059 0.046 0.000 1.243 491 L HN 0.606 nan 8.230 nan 0.000 0.412 492 R N 2.695 123.235 120.500 0.068 0.000 2.643 492 R HA 0.134 4.474 4.340 -0.000 0.000 0.270 492 R C -0.140 176.207 176.300 0.079 0.000 1.061 492 R CA -0.200 55.940 56.100 0.066 0.000 1.107 492 R CB 0.528 30.870 30.300 0.070 0.000 0.999 492 R HN 0.582 nan 8.270 nan 0.000 0.460 493 R N 3.758 124.299 120.500 0.069 0.000 2.413 493 R HA 0.369 4.709 4.340 -0.000 0.000 0.333 493 R C -0.434 175.923 176.300 0.096 0.000 1.074 493 R CA 0.375 56.513 56.100 0.063 0.000 0.982 493 R CB -0.558 29.775 30.300 0.054 0.000 0.981 493 R HN 0.838 nan 8.270 nan 0.000 0.452 494 A N 2.025 124.903 122.820 0.097 0.000 1.554 494 A HA 0.045 4.365 4.320 -0.000 0.000 0.210 494 A C 0.212 177.960 177.584 0.273 0.000 1.250 494 A CA 0.601 52.731 52.037 0.155 0.000 0.617 494 A CB -1.774 17.325 19.000 0.165 0.000 1.224 494 A HN 1.624 nan 8.150 nan 0.000 0.190 495 S N 2.776 118.618 115.700 0.236 0.000 2.588 495 S HA 0.744 5.214 4.470 -0.000 0.000 0.269 495 S C -0.609 174.157 174.600 0.277 0.000 1.157 495 S CA -0.101 58.297 58.200 0.330 0.000 0.824 495 S CB 1.313 64.672 63.200 0.266 0.000 1.126 495 S HN 2.076 nan 8.310 nan 0.000 0.464 496 W N 2.696 124.069 121.300 0.122 0.000 2.335 496 W HA 0.578 5.238 4.660 -0.000 0.000 0.307 496 W C -1.851 174.663 176.519 -0.008 0.000 1.117 496 W CA -0.384 56.991 57.345 0.051 0.000 1.228 496 W CB 0.917 30.422 29.460 0.074 0.000 1.240 496 W HN 0.776 nan 8.180 nan 0.000 0.468 497 N N 4.118 122.416 118.700 -0.669 0.000 2.314 497 N HA 0.405 5.145 4.740 -0.000 0.000 0.294 497 N C -1.328 173.642 175.510 -0.899 0.000 1.029 497 N CA -0.575 52.081 53.050 -0.657 0.000 0.845 497 N CB 2.376 40.700 38.487 -0.272 0.000 1.321 497 N HN 0.125 nan 8.380 nan 0.000 0.481 498 V N 3.245 122.663 119.914 -0.827 0.000 2.325 498 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 498 V C -0.335 175.487 176.094 -0.453 0.000 1.016 498 V CA -0.601 61.330 62.300 -0.615 0.000 0.818 498 V CB 0.304 31.719 31.823 -0.680 0.000 1.019 498 V HN 0.553 nan 8.190 nan 0.000 0.434 499 I N 5.122 125.558 120.570 -0.223 0.000 2.339 499 I HA 0.579 4.749 4.170 -0.000 0.000 0.290 499 I C 0.171 176.209 176.117 -0.133 0.000 0.994 499 I CA -0.510 60.733 61.300 -0.095 0.000 1.191 499 I CB 1.251 39.280 38.000 0.049 0.000 1.343 499 I HN 0.417 nan 8.210 nan 0.000 0.458 500 R N 6.876 127.277 120.500 -0.166 0.000 2.480 500 R HA 0.742 5.082 4.340 -0.000 0.000 0.306 500 R C -1.084 175.104 176.300 -0.187 0.000 0.958 500 R CA -0.692 55.296 56.100 -0.186 0.000 0.861 500 R CB 2.316 32.465 30.300 -0.251 0.000 1.171 500 R HN 0.558 nan 8.270 nan 0.000 0.445 501 I N 0.865 121.319 120.570 -0.193 0.000 2.646 501 I HA 0.572 4.742 4.170 -0.000 0.000 0.299 501 I C 0.564 176.606 176.117 -0.126 0.000 1.036 501 I CA -0.852 60.299 61.300 -0.249 0.000 1.074 501 I CB 2.317 40.068 38.000 -0.414 0.000 1.258 501 I HN 0.642 nan 8.210 nan 0.000 0.430 502 G N 0.000 108.746 108.800 -0.090 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 45.090 45.100 -0.016 0.000 0.502 502 G HN 0.000 nan 8.290 nan 0.000 0.925