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 3n7u_1_C DATA FIRST_RESID 28 DATA SEQUENCE DSKKIVGVFY KANEYATKNP NFLGCVENAL GIRDWLESQG HQYIVTDDKE DATA SEQUENCE GPDCELEKHI PDLHVLISTP FHPAYVTAER IKKAKNLKLL LTAGIGSDHI DATA SEQUENCE DLQAAAAAGL TVAEVTGSNV VSVAEDELMR ILILMRNFVP GYNQVVKGEW DATA SEQUENCE NVAGIAYRAY DLEGKTIGTV GAGRIGKLLL QRLKPFGCNL LYHDRLQMAP DATA SEQUENCE ELEKETGAKF VEDLNEMLPK CDVIVINMPL TEKTRGMFNK ELIGKLKKGV DATA SEQUENCE LIVNNARGAI MERQAVVDAV ESGHIGGYSG DVWDPQPAPK DHPWRYMPNQ DATA SEQUENCE AMTPHTSGTT IDAQLRYAAG TKDMLERYFK GEDFPTENYI VKDGELAPQY DATA SEQUENCE R 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.254 176.300 -0.077 0.000 2.045 28 D CA 0.000 53.952 54.000 -0.080 0.000 0.868 28 D CB 0.000 40.747 40.800 -0.088 0.000 0.688 29 S N 1.534 117.181 115.700 -0.088 0.000 2.537 29 S HA 0.549 5.019 4.470 -0.000 0.000 0.275 29 S C 0.004 174.617 174.600 0.022 0.000 1.272 29 S CA -0.377 57.807 58.200 -0.026 0.000 1.050 29 S CB 2.160 65.275 63.200 -0.142 0.000 0.961 29 S HN -0.011 nan 8.310 nan 0.000 0.496 30 K N 1.497 122.020 120.400 0.206 0.000 2.267 30 K HA 0.401 4.721 4.320 -0.000 0.000 0.246 30 K C -0.677 176.083 176.600 0.267 0.000 0.954 30 K CA -0.793 55.521 56.287 0.046 0.000 0.824 30 K CB 1.990 34.491 32.500 0.002 0.000 1.167 30 K HN 0.765 nan 8.250 nan 0.000 0.431 31 K N 3.097 123.804 120.400 0.512 0.000 2.267 31 K HA 0.255 4.575 4.320 -0.000 0.000 0.282 31 K C -0.543 176.219 176.600 0.270 0.000 1.078 31 K CA -0.389 56.094 56.287 0.327 0.000 0.903 31 K CB 0.367 33.019 32.500 0.253 0.000 1.111 31 K HN 0.409 nan 8.250 nan 0.000 0.475 32 I N 5.378 126.093 120.570 0.243 0.000 2.339 32 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 32 I C -0.283 175.981 176.117 0.245 0.000 0.994 32 I CA -0.974 60.477 61.300 0.252 0.000 1.191 32 I CB 1.360 39.537 38.000 0.296 0.000 1.343 32 I HN 0.321 nan 8.210 nan 0.000 0.458 33 V N 5.058 125.047 119.914 0.125 0.000 2.459 33 V HA 0.746 4.866 4.120 -0.000 0.000 0.295 33 V C 0.541 176.613 176.094 -0.037 0.000 1.029 33 V CA -0.484 61.810 62.300 -0.010 0.000 0.874 33 V CB 1.892 33.678 31.823 -0.062 0.000 0.985 33 V HN 0.938 nan 8.190 nan 0.000 0.438 34 G N 2.772 111.464 108.800 -0.180 0.000 2.461 34 G HA2 0.623 4.583 3.960 -0.000 0.000 0.323 34 G HA3 0.623 4.583 3.960 -0.000 0.000 0.323 34 G C -1.361 173.095 174.900 -0.740 0.000 1.229 34 G CA -0.491 44.337 45.100 -0.453 0.000 0.941 34 G HN 0.538 nan 8.290 nan 0.000 0.477 35 V N 2.425 121.746 119.914 -0.988 0.000 2.349 35 V HA 0.570 4.690 4.120 -0.000 0.000 0.284 35 V C -0.842 174.818 176.094 -0.724 0.000 1.014 35 V CA -0.434 61.488 62.300 -0.630 0.000 0.826 35 V CB 0.078 31.713 31.823 -0.314 0.000 1.009 35 V HN 0.619 nan 8.190 nan 0.000 0.431 36 F N 2.814 122.749 119.950 -0.025 0.000 2.664 36 F HA 0.662 5.189 4.527 -0.000 0.000 0.329 36 F C -0.110 175.622 175.800 -0.113 0.000 1.090 36 F CA -1.387 56.547 58.000 -0.111 0.000 0.978 36 F CB 1.446 40.287 39.000 -0.265 0.000 1.378 36 F HN 0.540 nan 8.300 nan 0.000 0.495 37 Y N 0.034 120.406 120.300 0.120 0.000 2.336 37 Y HA 0.417 4.967 4.550 -0.000 0.000 0.331 37 Y C -0.247 175.575 175.900 -0.131 0.000 1.211 37 Y CA -1.496 56.468 58.100 -0.227 0.000 1.346 37 Y CB 0.287 38.669 38.460 -0.129 0.000 1.271 37 Y HN 0.439 nan 8.280 nan 0.000 0.538 38 K N 1.995 122.401 120.400 0.010 0.000 2.227 38 K HA 0.612 4.932 4.320 -0.000 0.000 0.280 38 K C 0.148 176.816 176.600 0.113 0.000 1.041 38 K CA -0.054 56.245 56.287 0.020 0.000 0.905 38 K CB 1.037 33.536 32.500 -0.002 0.000 1.068 38 K HN 0.963 nan 8.250 nan 0.000 0.470 39 A N 4.064 126.935 122.820 0.085 0.000 2.063 39 A HA 0.029 4.349 4.320 -0.000 0.000 0.211 39 A C 0.729 178.443 177.584 0.217 0.000 1.177 39 A CA 0.403 52.565 52.037 0.207 0.000 0.759 39 A CB -0.367 18.689 19.000 0.093 0.000 0.857 39 A HN 1.062 nan 8.150 nan 0.000 0.468 40 N N -0.055 118.699 118.700 0.089 0.000 1.156 40 N HA -0.253 4.487 4.740 -0.000 0.000 0.125 40 N C 1.157 176.670 175.510 0.006 0.000 0.726 40 N CA 1.915 54.988 53.050 0.039 0.000 0.887 40 N CB -0.939 37.567 38.487 0.033 0.000 1.163 40 N HN 0.670 nan 8.380 nan 0.000 0.564 41 E N 1.212 121.346 120.200 -0.111 0.000 2.338 41 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 41 E C 1.659 178.154 176.600 -0.175 0.000 1.007 41 E CA 1.409 57.696 56.400 -0.187 0.000 0.849 41 E CB -0.596 28.942 29.700 -0.270 0.000 0.774 41 E HN 0.790 nan 8.360 nan 0.000 0.506 42 Y N 1.209 121.584 120.300 0.125 0.000 2.509 42 Y HA 0.096 4.646 4.550 -0.000 0.000 0.293 42 Y C 2.747 178.857 175.900 0.350 0.000 1.133 42 Y CA 0.569 58.793 58.100 0.206 0.000 1.283 42 Y CB -0.369 38.236 38.460 0.241 0.000 1.001 42 Y HN 0.152 nan 8.280 nan 0.000 0.555 43 A N 0.232 123.253 122.820 0.335 0.000 1.948 43 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 43 A C 2.173 179.896 177.584 0.230 0.000 1.177 43 A CA 2.339 54.490 52.037 0.189 0.000 0.636 43 A CB -1.101 17.897 19.000 -0.003 0.000 0.815 43 A HN 0.474 nan 8.150 nan 0.000 0.449 44 T N -3.761 110.895 114.554 0.169 0.000 3.069 44 T HA 0.237 4.587 4.350 -0.000 0.000 0.252 44 T C 1.227 175.997 174.700 0.117 0.000 1.053 44 T CA 0.401 62.570 62.100 0.115 0.000 0.964 44 T CB 0.067 68.968 68.868 0.056 0.000 1.005 44 T HN 0.449 nan 8.240 nan 0.000 0.532 45 K N 1.580 122.074 120.400 0.157 0.000 2.555 45 K HA 0.121 4.441 4.320 -0.000 0.000 0.193 45 K C 0.448 177.083 176.600 0.058 0.000 1.032 45 K CA 0.183 56.530 56.287 0.099 0.000 1.004 45 K CB 0.061 32.630 32.500 0.116 0.000 0.804 45 K HN 0.299 nan 8.250 nan 0.000 0.496 46 N N -0.390 118.362 118.700 0.086 0.000 2.406 46 N HA 0.090 4.830 4.740 -0.000 0.000 0.283 46 N C -2.516 173.044 175.510 0.083 0.000 1.074 46 N CA -1.366 51.709 53.050 0.042 0.000 0.916 46 N CB 1.895 40.360 38.487 -0.038 0.000 1.639 46 N HN -0.269 nan 8.380 nan 0.000 0.485 47 P HA 0.038 nan 4.420 nan 0.000 0.226 47 P C 0.001 177.322 177.300 0.036 0.000 1.153 47 P CA 0.788 63.911 63.100 0.038 0.000 0.777 47 P CB 0.482 32.190 31.700 0.013 0.000 0.794 48 N N -0.571 118.150 118.700 0.034 0.000 2.279 48 N HA 0.076 4.816 4.740 -0.000 0.000 0.226 48 N C -0.183 175.371 175.510 0.073 0.000 1.126 48 N CA -0.305 52.754 53.050 0.014 0.000 0.846 48 N CB -0.466 38.004 38.487 -0.027 0.000 1.050 48 N HN 0.249 nan 8.380 nan 0.000 0.502 49 F N 1.997 121.903 119.950 -0.074 0.000 2.662 49 F HA 0.133 4.660 4.527 -0.000 0.000 0.365 49 F C 0.912 176.648 175.800 -0.107 0.000 1.222 49 F CA -0.388 57.570 58.000 -0.070 0.000 1.315 49 F CB -0.060 38.927 39.000 -0.021 0.000 1.711 49 F HN 0.002 nan 8.300 nan 0.000 0.651 50 L N 2.395 123.616 121.223 -0.004 0.000 2.478 50 L HA -0.002 4.338 4.340 -0.000 0.000 0.223 50 L C 2.495 179.169 176.870 -0.326 0.000 1.140 50 L CA 0.731 55.456 54.840 -0.191 0.000 0.842 50 L CB -0.545 41.396 42.059 -0.196 0.000 0.953 50 L HN 0.559 nan 8.230 nan 0.000 0.452 51 G N 0.009 108.664 108.800 -0.243 0.000 2.534 51 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 51 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 51 G C 0.805 175.213 174.900 -0.820 0.000 1.128 51 G CA 0.392 45.307 45.100 -0.308 0.000 0.784 51 G HN 0.503 nan 8.290 nan 0.000 0.542 52 C N -1.788 116.986 119.300 -0.876 0.000 2.347 52 C HA 0.629 5.089 4.460 -0.000 0.000 0.366 52 C C 1.974 176.661 174.990 -0.506 0.000 1.241 52 C CA -0.685 57.833 59.018 -0.833 0.000 2.360 52 C CB 1.130 28.395 27.740 -0.792 0.000 2.290 52 C HN 0.067 nan 8.230 nan 0.000 0.587 53 V N 1.514 121.281 119.914 -0.245 0.000 2.252 53 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 53 V C 2.672 178.696 176.094 -0.116 0.000 1.056 53 V CA 2.741 65.006 62.300 -0.058 0.000 1.022 53 V CB -1.004 30.803 31.823 -0.027 0.000 0.641 53 V HN 0.961 nan 8.190 nan 0.000 0.445 54 E N 0.351 120.455 120.200 -0.159 0.000 2.110 54 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 54 E C 1.975 178.500 176.600 -0.125 0.000 0.988 54 E CA 1.350 57.678 56.400 -0.120 0.000 0.804 54 E CB -0.236 29.398 29.700 -0.110 0.000 0.745 54 E HN 0.604 nan 8.360 nan 0.000 0.458 55 N N -0.437 118.140 118.700 -0.205 0.000 2.388 55 N HA 0.125 4.865 4.740 -0.000 0.000 0.176 55 N C 0.106 175.517 175.510 -0.165 0.000 1.062 55 N CA 0.850 53.797 53.050 -0.171 0.000 0.895 55 N CB 0.521 38.888 38.487 -0.200 0.000 1.018 55 N HN 0.090 nan 8.380 nan 0.000 0.456 56 A N 1.476 124.125 122.820 -0.285 0.000 2.560 56 A HA -0.201 4.119 4.320 -0.000 0.000 0.299 56 A C 0.865 178.333 177.584 -0.193 0.000 1.484 56 A CA 0.829 52.695 52.037 -0.286 0.000 0.749 56 A CB -2.348 16.691 19.000 0.065 0.000 1.072 56 A HN 0.479 nan 8.150 nan 0.000 0.426 57 L N -3.781 117.221 121.223 -0.367 0.000 4.813 57 L HA -0.333 4.007 4.340 -0.000 0.000 0.434 57 L C 1.726 178.523 176.870 -0.122 0.000 1.106 57 L CA 0.917 55.627 54.840 -0.216 0.000 0.991 57 L CB -2.028 39.956 42.059 -0.126 0.000 2.005 57 L HN 2.452 nan 8.230 nan 0.000 0.817 58 G N 0.528 109.282 108.800 -0.076 0.000 2.148 58 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.254 58 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.254 58 G C 0.545 175.445 174.900 0.000 0.000 0.981 58 G CA 0.565 45.641 45.100 -0.040 0.000 0.670 58 G HN 0.877 nan 8.290 nan 0.000 0.528 59 I N -2.318 118.275 120.570 0.039 0.000 3.956 59 I HA 0.409 4.579 4.170 -0.000 0.000 0.333 59 I C 1.999 178.191 176.117 0.125 0.000 1.302 59 I CA 0.473 61.804 61.300 0.052 0.000 1.122 59 I CB -0.110 37.867 38.000 -0.038 0.000 1.013 59 I HN 0.148 nan 8.210 nan 0.000 0.405 60 R N 2.066 122.694 120.500 0.213 0.000 2.094 60 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 60 R C 1.579 178.000 176.300 0.201 0.000 1.137 60 R CA 2.821 59.100 56.100 0.298 0.000 0.943 60 R CB -0.184 30.333 30.300 0.362 0.000 0.850 60 R HN 0.386 nan 8.270 nan 0.000 0.433 61 D N -0.707 119.800 120.400 0.178 0.000 2.117 61 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 61 D C 1.442 177.837 176.300 0.158 0.000 0.982 61 D CA 1.120 55.204 54.000 0.140 0.000 0.828 61 D CB -0.639 40.230 40.800 0.116 0.000 0.967 61 D HN 0.403 nan 8.370 nan 0.000 0.464 62 W N 1.860 123.166 121.300 0.011 0.000 2.317 62 W HA -0.205 4.455 4.660 -0.000 0.000 0.318 62 W C 2.064 178.599 176.519 0.027 0.000 1.227 62 W CA 1.490 58.844 57.345 0.015 0.000 1.269 62 W CB -0.506 28.962 29.460 0.014 0.000 1.155 62 W HN -0.090 nan 8.180 nan 0.000 0.484 63 L N 0.261 121.573 121.223 0.148 0.000 1.989 63 L HA -0.246 4.094 4.340 -0.000 0.000 0.211 63 L C 2.504 179.333 176.870 -0.068 0.000 1.071 63 L CA 2.055 56.881 54.840 -0.025 0.000 0.749 63 L CB -0.975 41.088 42.059 0.007 0.000 0.890 63 L HN 0.065 nan 8.230 nan 0.000 0.431 64 E N -0.309 119.893 120.200 0.003 0.000 2.150 64 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 64 E C 2.247 178.791 176.600 -0.095 0.000 0.985 64 E CA 1.354 57.745 56.400 -0.016 0.000 0.814 64 E CB -0.055 29.674 29.700 0.048 0.000 0.752 64 E HN 0.534 nan 8.360 nan 0.000 0.466 65 S N 0.805 116.442 115.700 -0.105 0.000 2.419 65 S HA -0.206 4.264 4.470 -0.000 0.000 0.233 65 S C 1.757 176.223 174.600 -0.223 0.000 1.016 65 S CA 0.943 59.065 58.200 -0.130 0.000 0.974 65 S CB -0.144 62.995 63.200 -0.102 0.000 0.786 65 S HN 0.229 nan 8.310 nan 0.000 0.492 66 Q N 0.477 120.070 119.800 -0.345 0.000 2.365 66 Q HA 0.345 4.685 4.340 -0.000 0.000 0.203 66 Q C 1.337 176.970 176.000 -0.612 0.000 0.929 66 Q CA 0.253 55.762 55.803 -0.490 0.000 0.948 66 Q CB 0.151 28.506 28.738 -0.638 0.000 1.043 66 Q HN 0.797 nan 8.270 nan 0.000 0.505 67 G N 0.483 109.026 108.800 -0.428 0.000 2.176 67 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.253 67 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.253 67 G C 0.040 174.724 174.900 -0.359 0.000 0.979 67 G CA -0.143 44.734 45.100 -0.371 0.000 0.641 67 G HN 0.395 nan 8.290 nan 0.000 0.530 68 H N 0.342 119.302 119.070 -0.183 0.000 2.603 68 H HA 0.492 5.048 4.556 -0.000 0.000 0.370 68 H C 0.468 175.789 175.328 -0.012 0.000 1.225 68 H CA 0.355 56.332 56.048 -0.118 0.000 1.410 68 H CB 0.760 30.422 29.762 -0.167 0.000 1.495 68 H HN 0.437 nan 8.280 nan 0.000 0.602 69 Q N 1.158 121.076 119.800 0.196 0.000 2.271 69 Q HA 0.201 4.541 4.340 -0.000 0.000 0.258 69 Q C -1.638 174.516 176.000 0.257 0.000 0.936 69 Q CA -0.758 55.150 55.803 0.175 0.000 0.909 69 Q CB 0.950 29.770 28.738 0.137 0.000 1.253 69 Q HN 0.528 nan 8.270 nan 0.000 0.440 70 Y N 4.708 125.051 120.300 0.072 0.000 2.332 70 Y HA 0.455 5.005 4.550 -0.000 0.000 0.326 70 Y C -1.662 174.249 175.900 0.018 0.000 0.978 70 Y CA -1.238 56.905 58.100 0.071 0.000 1.205 70 Y CB 0.758 39.285 38.460 0.113 0.000 1.131 70 Y HN 0.574 nan 8.280 nan 0.000 0.462 71 I N 6.752 127.244 120.570 -0.129 0.000 2.362 71 I HA 0.507 4.677 4.170 -0.000 0.000 0.289 71 I C -0.877 175.009 176.117 -0.385 0.000 0.994 71 I CA -0.614 60.513 61.300 -0.288 0.000 1.158 71 I CB 1.716 39.461 38.000 -0.424 0.000 1.315 71 I HN 0.311 nan 8.210 nan 0.000 0.451 72 V N 4.679 124.383 119.914 -0.351 0.000 2.604 72 V HA 0.804 4.924 4.120 -0.000 0.000 0.305 72 V C -0.151 175.847 176.094 -0.159 0.000 1.043 72 V CA -0.432 61.694 62.300 -0.290 0.000 0.888 72 V CB 2.028 33.690 31.823 -0.270 0.000 0.995 72 V HN 0.796 nan 8.190 nan 0.000 0.429 73 T N 0.880 115.356 114.554 -0.129 0.000 2.821 73 T HA 0.345 4.695 4.350 -0.000 0.000 0.306 73 T C -0.548 174.140 174.700 -0.021 0.000 1.313 73 T CA -0.080 61.987 62.100 -0.055 0.000 1.012 73 T CB 2.048 70.899 68.868 -0.029 0.000 1.298 73 T HN 0.888 nan 8.240 nan 0.000 0.502 74 D N 0.838 121.259 120.400 0.035 0.000 2.433 74 D HA 0.119 4.759 4.640 -0.000 0.000 0.211 74 D C -0.025 176.395 176.300 0.201 0.000 1.114 74 D CA -0.160 53.917 54.000 0.129 0.000 0.837 74 D CB 0.273 41.095 40.800 0.037 0.000 0.984 74 D HN 0.402 nan 8.370 nan 0.000 0.505 75 D N 1.611 122.068 120.400 0.096 0.000 2.422 75 D HA 0.081 4.721 4.640 -0.000 0.000 0.227 75 D C 0.837 177.162 176.300 0.042 0.000 1.190 75 D CA -0.125 53.922 54.000 0.078 0.000 0.905 75 D CB 0.662 41.495 40.800 0.055 0.000 1.034 75 D HN 0.290 nan 8.370 nan 0.000 0.507 76 K N 1.692 122.107 120.400 0.024 0.000 2.477 76 K HA 0.198 4.518 4.320 -0.000 0.000 0.208 76 K C -0.226 176.371 176.600 -0.004 0.000 1.117 76 K CA -0.409 55.864 56.287 -0.025 0.000 1.039 76 K CB 0.672 33.097 32.500 -0.124 0.000 0.937 76 K HN 0.022 nan 8.250 nan 0.000 0.570 77 E N 1.836 122.047 120.200 0.018 0.000 2.156 77 E HA 0.397 4.747 4.350 -0.000 0.000 0.279 77 E C 0.340 176.958 176.600 0.030 0.000 0.965 77 E CA 0.148 56.569 56.400 0.035 0.000 0.789 77 E CB 1.554 31.279 29.700 0.042 0.000 1.098 77 E HN 0.462 nan 8.360 nan 0.000 0.397 78 G N 4.670 113.488 108.800 0.030 0.000 2.757 78 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.638 78 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.638 78 G C -1.918 172.990 174.900 0.013 0.000 1.344 78 G CA -0.394 44.718 45.100 0.020 0.000 0.855 78 G HN 0.416 nan 8.290 nan 0.000 0.537 79 P HA 0.116 nan 4.420 nan 0.000 0.229 79 P C 0.498 177.796 177.300 -0.003 0.000 1.160 79 P CA 1.466 64.567 63.100 0.001 0.000 0.777 79 P CB 0.213 31.913 31.700 -0.001 0.000 0.814 80 D N -0.515 119.886 120.400 0.001 0.000 2.395 80 D HA 0.044 4.684 4.640 -0.000 0.000 0.213 80 D C 0.820 177.120 176.300 0.000 0.000 1.110 80 D CA 0.030 54.029 54.000 -0.003 0.000 0.835 80 D CB 0.011 40.811 40.800 0.001 0.000 0.965 80 D HN 0.274 nan 8.370 nan 0.000 0.505 81 C N 0.218 119.522 119.300 0.006 0.000 2.580 81 C HA 0.327 4.787 4.460 -0.000 0.000 0.371 81 C C 2.244 177.243 174.990 0.015 0.000 1.308 81 C CA -0.663 58.364 59.018 0.015 0.000 2.428 81 C CB 2.063 29.816 27.740 0.022 0.000 2.529 81 C HN 0.055 nan 8.230 nan 0.000 0.657 82 E N 0.375 120.596 120.200 0.034 0.000 2.085 82 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 82 E C 1.657 178.333 176.600 0.127 0.000 0.994 82 E CA 1.755 58.195 56.400 0.068 0.000 0.801 82 E CB -0.356 29.396 29.700 0.086 0.000 0.743 82 E HN 0.751 nan 8.360 nan 0.000 0.453 83 L N 1.191 122.467 121.223 0.088 0.000 1.971 83 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 83 L C 2.196 179.104 176.870 0.064 0.000 1.072 83 L CA 2.487 57.376 54.840 0.081 0.000 0.758 83 L CB -1.147 40.922 42.059 0.017 0.000 0.889 83 L HN 0.158 nan 8.230 nan 0.000 0.433 84 E N -0.042 120.170 120.200 0.020 0.000 2.171 84 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 84 E C 2.114 178.685 176.600 -0.047 0.000 0.997 84 E CA 1.610 58.007 56.400 -0.006 0.000 0.810 84 E CB -0.177 29.519 29.700 -0.007 0.000 0.738 84 E HN 0.546 nan 8.360 nan 0.000 0.467 85 K N -0.884 119.454 120.400 -0.103 0.000 2.209 85 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 85 K C 1.631 178.005 176.600 -0.376 0.000 1.048 85 K CA 1.259 57.391 56.287 -0.258 0.000 0.940 85 K CB -0.128 32.149 32.500 -0.373 0.000 0.729 85 K HN 0.386 nan 8.250 nan 0.000 0.451 86 H N -0.434 118.627 119.070 -0.015 0.000 2.648 86 H HA 0.163 4.719 4.556 -0.000 0.000 0.265 86 H C 2.006 177.319 175.328 -0.025 0.000 0.961 86 H CA 0.107 56.144 56.048 -0.017 0.000 1.185 86 H CB 0.272 30.025 29.762 -0.016 0.000 1.449 86 H HN 0.075 nan 8.280 nan 0.000 0.523 87 I N 1.608 122.210 120.570 0.053 0.000 2.194 87 I HA -0.211 3.959 4.170 -0.000 0.000 0.246 87 I C -0.596 175.520 176.117 -0.002 0.000 1.093 87 I CA 1.353 62.665 61.300 0.021 0.000 1.355 87 I CB -0.848 37.158 38.000 0.009 0.000 1.046 87 I HN 0.146 nan 8.210 nan 0.000 0.413 88 P HA -0.156 nan 4.420 nan 0.000 0.218 88 P C 0.356 177.634 177.300 -0.036 0.000 1.148 88 P CA 1.633 64.720 63.100 -0.023 0.000 0.822 88 P CB -0.083 31.602 31.700 -0.026 0.000 0.784 89 D N -2.882 117.493 120.400 -0.042 0.000 2.525 89 D HA 0.045 4.685 4.640 -0.000 0.000 0.231 89 D C 0.330 176.508 176.300 -0.204 0.000 1.216 89 D CA -0.284 53.656 54.000 -0.100 0.000 0.813 89 D CB -1.164 39.607 40.800 -0.049 0.000 1.108 89 D HN 0.036 nan 8.370 nan 0.000 0.524 90 L N -0.861 120.296 121.223 -0.110 0.000 2.461 90 L HA 0.404 4.744 4.340 -0.000 0.000 0.272 90 L C 0.697 177.450 176.870 -0.194 0.000 1.197 90 L CA 0.267 55.048 54.840 -0.097 0.000 0.836 90 L CB 0.262 42.328 42.059 0.011 0.000 1.105 90 L HN -0.195 nan 8.230 nan 0.000 0.477 91 H N 0.990 120.117 119.070 0.095 0.000 2.476 91 H HA 0.415 4.971 4.556 -0.000 0.000 0.292 91 H C -0.269 175.110 175.328 0.085 0.000 1.019 91 H CA 0.549 56.665 56.048 0.113 0.000 1.330 91 H CB 0.660 30.519 29.762 0.163 0.000 1.451 91 H HN 0.407 nan 8.280 nan 0.000 0.535 92 V N 1.586 121.605 119.914 0.175 0.000 2.656 92 V HA 0.250 4.370 4.120 -0.000 0.000 0.307 92 V C -1.265 174.854 176.094 0.041 0.000 1.051 92 V CA -0.930 61.406 62.300 0.060 0.000 0.893 92 V CB 2.626 34.470 31.823 0.036 0.000 0.999 92 V HN 0.052 nan 8.190 nan 0.000 0.426 93 L N 6.121 127.342 121.223 -0.003 0.000 2.343 93 L HA 0.660 5.000 4.340 -0.000 0.000 0.278 93 L C -0.702 176.148 176.870 -0.034 0.000 0.996 93 L CA 0.070 54.899 54.840 -0.017 0.000 0.831 93 L CB 1.279 43.322 42.059 -0.027 0.000 1.232 93 L HN 0.556 nan 8.230 nan 0.000 0.413 94 I N 4.652 125.199 120.570 -0.039 0.000 2.312 94 I HA 0.446 4.616 4.170 -0.000 0.000 0.290 94 I C 0.300 176.315 176.117 -0.170 0.000 1.008 94 I CA -0.258 61.019 61.300 -0.038 0.000 1.226 94 I CB 1.288 39.351 38.000 0.105 0.000 1.371 94 I HN 0.772 nan 8.210 nan 0.000 0.468 95 S N 3.685 119.327 115.700 -0.095 0.000 2.759 95 S HA 0.718 5.188 4.470 -0.000 0.000 0.310 95 S C -0.378 174.157 174.600 -0.109 0.000 1.123 95 S CA -0.673 57.440 58.200 -0.145 0.000 0.959 95 S CB 2.421 65.628 63.200 0.012 0.000 1.172 95 S HN 0.559 nan 8.310 nan 0.000 0.539 96 T N 0.926 115.355 114.554 -0.208 0.000 3.032 96 T HA 0.537 4.887 4.350 -0.000 0.000 0.312 96 T C -2.531 171.853 174.700 -0.527 0.000 1.078 96 T CA -1.464 60.501 62.100 -0.224 0.000 1.028 96 T CB 1.491 70.463 68.868 0.174 0.000 1.091 96 T HN 0.353 nan 8.240 nan 0.000 0.457 97 P HA 0.012 nan 4.420 nan 0.000 0.219 97 P C 0.980 177.885 177.300 -0.658 0.000 1.146 97 P CA 0.945 63.565 63.100 -0.801 0.000 0.808 97 P CB -0.068 31.226 31.700 -0.678 0.000 0.779 98 F N -2.593 117.227 119.950 -0.216 0.000 2.365 98 F HA 0.007 4.534 4.527 -0.000 0.000 0.300 98 F C 1.249 177.135 175.800 0.144 0.000 1.090 98 F CA 0.941 58.838 58.000 -0.172 0.000 1.408 98 F CB -1.174 37.774 39.000 -0.087 0.000 1.060 98 F HN 0.035 nan 8.300 nan 0.000 0.534 99 H N 0.409 119.527 119.070 0.080 0.000 2.562 99 H HA 0.294 4.850 4.556 -0.000 0.000 0.230 99 H C -2.929 172.287 175.328 -0.187 0.000 1.415 99 H CA -2.682 53.382 56.048 0.028 0.000 1.454 99 H CB 0.742 30.608 29.762 0.174 0.000 1.716 99 H HN -0.237 nan 8.280 nan 0.000 0.538 100 P HA 0.258 nan 4.420 nan 0.000 0.287 100 P C -0.229 176.608 177.300 -0.771 0.000 1.307 100 P CA -0.395 62.275 63.100 -0.716 0.000 0.777 100 P CB 1.180 32.395 31.700 -0.808 0.000 0.883 101 A N 4.857 127.394 122.820 -0.471 0.000 2.522 101 A HA 0.097 4.417 4.320 -0.000 0.000 0.256 101 A C -0.468 176.995 177.584 -0.202 0.000 1.086 101 A CA 0.130 51.991 52.037 -0.293 0.000 0.763 101 A CB -0.751 18.163 19.000 -0.144 0.000 1.024 101 A HN 0.439 nan 8.150 nan 0.000 0.502 102 Y N 2.346 122.655 120.300 0.015 0.000 2.504 102 Y HA 0.305 4.855 4.550 -0.000 0.000 0.351 102 Y C 0.381 176.291 175.900 0.018 0.000 0.988 102 Y CA -0.371 57.753 58.100 0.040 0.000 1.239 102 Y CB 0.907 39.376 38.460 0.015 0.000 1.128 102 Y HN 0.358 nan 8.280 nan 0.000 0.525 103 V N 4.634 124.635 119.914 0.145 0.000 2.162 103 V HA 0.088 4.208 4.120 -0.000 0.000 0.255 103 V C 0.583 176.707 176.094 0.050 0.000 1.304 103 V CA -0.691 61.645 62.300 0.059 0.000 1.198 103 V CB -0.923 30.904 31.823 0.006 0.000 1.333 103 V HN 0.859 nan 8.190 nan 0.000 0.493 104 T N 0.989 115.579 114.554 0.059 0.000 2.748 104 T HA 0.405 4.755 4.350 -0.000 0.000 0.304 104 T C 1.582 176.291 174.700 0.015 0.000 1.041 104 T CA 0.150 62.270 62.100 0.034 0.000 1.033 104 T CB 1.481 70.367 68.868 0.030 0.000 0.995 104 T HN 0.501 nan 8.240 nan 0.000 0.536 105 A N 0.125 122.949 122.820 0.007 0.000 1.908 105 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 105 A C 2.319 179.904 177.584 0.003 0.000 1.181 105 A CA 1.974 54.012 52.037 0.002 0.000 0.627 105 A CB -1.189 17.811 19.000 -0.000 0.000 0.818 105 A HN 1.060 nan 8.150 nan 0.000 0.445 106 E N -0.320 119.883 120.200 0.004 0.000 2.077 106 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 106 E C 2.216 178.819 176.600 0.004 0.000 0.989 106 E CA 1.282 57.684 56.400 0.003 0.000 0.800 106 E CB -0.104 29.598 29.700 0.002 0.000 0.746 106 E HN 0.621 nan 8.360 nan 0.000 0.452 107 R N 0.013 120.519 120.500 0.009 0.000 2.073 107 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 107 R C 2.529 178.832 176.300 0.004 0.000 1.120 107 R CA 1.331 57.436 56.100 0.008 0.000 0.967 107 R CB -0.258 30.052 30.300 0.016 0.000 0.862 107 R HN 0.273 nan 8.270 nan 0.000 0.436 108 I N 1.135 121.707 120.570 0.003 0.000 2.208 108 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 108 I C 2.587 178.705 176.117 0.001 0.000 1.097 108 I CA 1.405 62.705 61.300 0.001 0.000 1.363 108 I CB -0.212 37.787 38.000 -0.002 0.000 1.051 108 I HN 0.155 nan 8.210 nan 0.000 0.413 109 K N 1.317 121.717 120.400 0.001 0.000 2.057 109 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 109 K C 2.056 178.656 176.600 -0.000 0.000 1.049 109 K CA 1.427 57.715 56.287 0.001 0.000 0.931 109 K CB 0.045 32.546 32.500 0.001 0.000 0.714 109 K HN 0.214 nan 8.250 nan 0.000 0.440 110 K N 0.059 120.458 120.400 -0.001 0.000 2.217 110 K HA -0.008 4.312 4.320 -0.000 0.000 0.202 110 K C 0.717 177.313 176.600 -0.006 0.000 1.051 110 K CA 0.683 56.968 56.287 -0.004 0.000 0.952 110 K CB 0.078 32.575 32.500 -0.005 0.000 0.736 110 K HN 0.115 nan 8.250 nan 0.000 0.453 111 A N 2.448 125.265 122.820 -0.005 0.000 3.030 111 A HA 0.019 4.339 4.320 -0.000 0.000 0.273 111 A C 0.769 178.348 177.584 -0.010 0.000 1.841 111 A CA 0.030 52.061 52.037 -0.009 0.000 1.479 111 A CB -0.076 18.921 19.000 -0.006 0.000 1.048 111 A HN 0.045 nan 8.150 nan 0.000 0.612 112 K N 0.915 121.308 120.400 -0.013 0.000 2.152 112 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 112 K C 0.589 177.186 176.600 -0.005 0.000 1.048 112 K CA 1.232 57.516 56.287 -0.005 0.000 0.933 112 K CB -0.060 32.437 32.500 -0.005 0.000 0.721 112 K HN 0.592 nan 8.250 nan 0.000 0.447 113 N N 0.551 119.226 118.700 -0.042 0.000 2.299 113 N HA -0.011 4.729 4.740 -0.000 0.000 0.187 113 N C 0.166 175.675 175.510 -0.001 0.000 1.099 113 N CA -0.161 52.854 53.050 -0.059 0.000 0.867 113 N CB -0.009 38.301 38.487 -0.296 0.000 0.974 113 N HN 0.062 nan 8.380 nan 0.000 0.477 114 L N 1.579 122.804 121.223 0.003 0.000 2.462 114 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 114 L C 0.947 177.863 176.870 0.076 0.000 1.166 114 L CA 0.755 55.616 54.840 0.035 0.000 0.880 114 L CB 0.555 42.621 42.059 0.012 0.000 1.142 114 L HN -0.080 nan 8.230 nan 0.000 0.473 115 K N 4.558 125.024 120.400 0.110 0.000 2.474 115 K HA 0.276 4.596 4.320 -0.000 0.000 0.202 115 K C -0.731 175.900 176.600 0.053 0.000 1.248 115 K CA -0.108 56.249 56.287 0.117 0.000 0.946 115 K CB 0.661 33.296 32.500 0.225 0.000 1.102 115 K HN 0.451 nan 8.250 nan 0.000 0.541 116 L N 1.534 122.748 121.223 -0.016 0.000 2.409 116 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 116 L C -1.590 175.232 176.870 -0.081 0.000 0.980 116 L CA -0.579 54.196 54.840 -0.109 0.000 0.826 116 L CB 1.565 43.371 42.059 -0.421 0.000 1.268 116 L HN -0.073 nan 8.230 nan 0.000 0.407 117 L N 6.381 127.573 121.223 -0.052 0.000 2.295 117 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 117 L C -0.857 175.974 176.870 -0.064 0.000 1.018 117 L CA -0.340 54.467 54.840 -0.054 0.000 0.841 117 L CB 1.277 43.303 42.059 -0.055 0.000 1.218 117 L HN 0.500 nan 8.230 nan 0.000 0.424 118 L N 3.055 124.233 121.223 -0.076 0.000 2.282 118 L HA 0.462 4.802 4.340 -0.000 0.000 0.288 118 L C 0.054 176.895 176.870 -0.048 0.000 1.033 118 L CA -0.356 54.429 54.840 -0.092 0.000 0.807 118 L CB 1.814 43.796 42.059 -0.128 0.000 1.209 118 L HN 0.486 nan 8.230 nan 0.000 0.423 119 T N 2.610 117.134 114.554 -0.051 0.000 2.733 119 T HA 0.381 4.731 4.350 -0.000 0.000 0.294 119 T C 0.339 174.999 174.700 -0.066 0.000 0.956 119 T CA -0.411 61.675 62.100 -0.022 0.000 0.987 119 T CB 1.220 70.095 68.868 0.011 0.000 0.920 119 T HN 0.644 nan 8.240 nan 0.000 0.470 120 A N 3.580 126.359 122.820 -0.069 0.000 2.807 120 A HA 0.715 5.035 4.320 -0.000 0.000 0.307 120 A C 1.043 178.293 177.584 -0.558 0.000 1.532 120 A CA 0.211 52.169 52.037 -0.133 0.000 1.215 120 A CB -0.923 18.143 19.000 0.110 0.000 1.127 120 A HN 1.250 nan 8.150 nan 0.000 0.543 121 G N 0.543 109.103 108.800 -0.401 0.000 2.270 121 G HA2 0.202 4.162 3.960 -0.000 0.000 0.268 121 G HA3 0.202 4.162 3.960 -0.000 0.000 0.268 121 G C -1.123 173.726 174.900 -0.085 0.000 1.312 121 G CA -0.506 44.410 45.100 -0.307 0.000 1.050 121 G HN 0.780 nan 8.290 nan 0.000 0.474 122 I N 1.041 121.594 120.570 -0.029 0.000 2.582 122 I HA 0.627 4.797 4.170 -0.000 0.000 0.292 122 I C 0.395 176.551 176.117 0.065 0.000 1.066 122 I CA 0.129 61.456 61.300 0.044 0.000 1.053 122 I CB 2.026 40.077 38.000 0.085 0.000 1.241 122 I HN 2.132 nan 8.210 nan 0.000 0.421 123 G N 3.238 112.113 108.800 0.124 0.000 3.380 123 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.685 123 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.685 123 G C -0.263 174.750 174.900 0.187 0.000 1.136 123 G CA -0.573 44.644 45.100 0.195 0.000 1.011 123 G HN 0.571 nan 8.290 nan 0.000 0.471 124 S N 0.768 116.542 115.700 0.124 0.000 2.601 124 S HA 0.174 4.644 4.470 -0.000 0.000 0.244 124 S C 1.526 175.998 174.600 -0.213 0.000 1.001 124 S CA 0.442 58.577 58.200 -0.108 0.000 0.984 124 S CB 0.243 63.328 63.200 -0.192 0.000 0.842 124 S HN 0.915 nan 8.310 nan 0.000 0.474 125 D N 1.183 121.611 120.400 0.047 0.000 2.350 125 D HA -0.196 4.444 4.640 -0.000 0.000 0.216 125 D C 1.603 177.956 176.300 0.089 0.000 0.968 125 D CA 0.777 54.832 54.000 0.092 0.000 0.894 125 D CB -0.378 40.557 40.800 0.224 0.000 0.909 125 D HN 0.611 nan 8.370 nan 0.000 0.520 126 H N 0.071 119.202 119.070 0.101 0.000 2.547 126 H HA 0.068 4.624 4.556 -0.000 0.000 0.272 126 H C 0.445 175.852 175.328 0.132 0.000 0.989 126 H CA -0.099 56.050 56.048 0.169 0.000 1.214 126 H CB -0.191 29.576 29.762 0.008 0.000 1.389 126 H HN 0.158 nan 8.280 nan 0.000 0.577 127 I N 2.785 123.156 120.570 -0.333 0.000 2.519 127 I HA -0.007 4.163 4.170 -0.000 0.000 0.287 127 I C 0.679 176.754 176.117 -0.071 0.000 1.047 127 I CA -0.865 60.323 61.300 -0.186 0.000 1.381 127 I CB 0.967 38.814 38.000 -0.255 0.000 1.417 127 I HN 0.084 nan 8.210 nan 0.000 0.540 128 D N 6.321 126.705 120.400 -0.026 0.000 2.383 128 D HA 0.071 4.711 4.640 -0.000 0.000 0.245 128 D C 0.990 177.269 176.300 -0.036 0.000 1.263 128 D CA 0.043 54.034 54.000 -0.015 0.000 0.936 128 D CB 0.557 41.356 40.800 -0.002 0.000 1.053 128 D HN 0.420 nan 8.370 nan 0.000 0.507 129 L N 2.824 124.019 121.223 -0.047 0.000 2.291 129 L HA -0.125 4.215 4.340 -0.000 0.000 0.214 129 L C 2.442 179.288 176.870 -0.040 0.000 1.120 129 L CA 0.574 55.372 54.840 -0.069 0.000 0.799 129 L CB -0.087 41.906 42.059 -0.109 0.000 0.925 129 L HN 0.400 nan 8.230 nan 0.000 0.446 130 Q N -0.095 119.693 119.800 -0.020 0.000 2.046 130 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 130 Q C 2.481 178.475 176.000 -0.011 0.000 0.975 130 Q CA 1.618 57.416 55.803 -0.010 0.000 0.836 130 Q CB -0.215 28.523 28.738 -0.000 0.000 0.896 130 Q HN 0.561 nan 8.270 nan 0.000 0.428 131 A N 1.014 123.828 122.820 -0.011 0.000 1.969 131 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 131 A C 2.264 179.841 177.584 -0.012 0.000 1.169 131 A CA 1.415 53.447 52.037 -0.009 0.000 0.635 131 A CB -0.607 18.389 19.000 -0.007 0.000 0.810 131 A HN 0.383 nan 8.150 nan 0.000 0.445 132 A N 0.087 122.895 122.820 -0.021 0.000 1.877 132 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 132 A C 2.530 180.105 177.584 -0.016 0.000 1.186 132 A CA 2.089 54.112 52.037 -0.022 0.000 0.620 132 A CB -1.118 17.858 19.000 -0.040 0.000 0.822 132 A HN 1.039 nan 8.150 nan 0.000 0.443 133 A N -0.022 122.787 122.820 -0.019 0.000 1.883 133 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 133 A C 2.539 180.119 177.584 -0.008 0.000 1.186 133 A CA 2.444 54.472 52.037 -0.014 0.000 0.624 133 A CB -1.176 17.816 19.000 -0.015 0.000 0.822 133 A HN 1.164 nan 8.150 nan 0.000 0.444 134 A N -0.327 122.490 122.820 -0.006 0.000 1.908 134 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 134 A C 2.351 179.934 177.584 -0.001 0.000 1.181 134 A CA 2.144 54.180 52.037 -0.003 0.000 0.627 134 A CB -0.890 18.109 19.000 -0.002 0.000 0.818 134 A HN 1.206 nan 8.150 nan 0.000 0.445 135 A N -1.811 121.008 122.820 -0.000 0.000 2.235 135 A HA 0.402 4.722 4.320 -0.000 0.000 0.208 135 A C 1.781 179.370 177.584 0.008 0.000 1.172 135 A CA 1.194 53.234 52.037 0.004 0.000 0.786 135 A CB -1.048 17.954 19.000 0.005 0.000 0.804 135 A HN 1.967 nan 8.150 nan 0.000 0.479 136 G N -0.786 108.017 108.800 0.005 0.000 2.176 136 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.252 136 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.252 136 G C -0.005 174.905 174.900 0.016 0.000 1.024 136 G CA 0.354 45.459 45.100 0.007 0.000 0.755 136 G HN 0.494 nan 8.290 nan 0.000 0.507 137 L N 0.909 122.141 121.223 0.014 0.000 2.349 137 L HA 0.406 4.746 4.340 -0.000 0.000 0.275 137 L C 0.961 177.849 176.870 0.030 0.000 1.115 137 L CA -0.520 54.334 54.840 0.022 0.000 0.820 137 L CB 0.935 42.999 42.059 0.009 0.000 1.135 137 L HN 0.093 nan 8.230 nan 0.000 0.445 138 T N 2.661 117.247 114.554 0.053 0.000 2.814 138 T HA 0.328 4.678 4.350 -0.000 0.000 0.297 138 T C 0.008 174.757 174.700 0.081 0.000 0.956 138 T CA -0.311 61.849 62.100 0.100 0.000 1.123 138 T CB 0.999 69.950 68.868 0.139 0.000 0.902 138 T HN 0.262 nan 8.240 nan 0.000 0.528 139 V N 2.582 122.551 119.914 0.092 0.000 2.444 139 V HA 0.815 4.935 4.120 -0.000 0.000 0.294 139 V C -0.001 176.124 176.094 0.052 0.000 1.022 139 V CA -0.818 61.496 62.300 0.025 0.000 0.850 139 V CB 1.236 33.030 31.823 -0.049 0.000 0.992 139 V HN 1.109 nan 8.190 nan 0.000 0.426 140 A N 4.517 127.336 122.820 -0.001 0.000 2.556 140 A HA 1.004 5.324 4.320 -0.000 0.000 0.294 140 A C -0.772 176.748 177.584 -0.107 0.000 1.091 140 A CA -0.638 51.364 52.037 -0.059 0.000 0.704 140 A CB 2.091 21.036 19.000 -0.092 0.000 1.300 140 A HN 0.915 nan 8.150 nan 0.000 0.406 141 E N -0.380 119.757 120.200 -0.105 0.000 2.446 141 E HA 0.595 4.945 4.350 -0.000 0.000 0.276 141 E C -1.536 175.016 176.600 -0.081 0.000 0.969 141 E CA -1.014 55.340 56.400 -0.076 0.000 0.800 141 E CB 1.707 31.396 29.700 -0.019 0.000 1.341 141 E HN 0.277 nan 8.360 nan 0.000 0.460 142 V N 1.886 121.772 119.914 -0.047 0.000 2.162 142 V HA 0.132 4.252 4.120 -0.000 0.000 0.255 142 V C 0.075 176.179 176.094 0.018 0.000 1.304 142 V CA -0.360 61.926 62.300 -0.023 0.000 1.198 142 V CB -0.232 31.606 31.823 0.025 0.000 1.333 142 V HN 0.655 nan 8.190 nan 0.000 0.493 143 T N 3.284 117.844 114.554 0.011 0.000 2.934 143 T HA 0.329 4.679 4.350 -0.000 0.000 0.306 143 T C 1.466 176.189 174.700 0.039 0.000 1.042 143 T CA 1.409 63.531 62.100 0.037 0.000 1.145 143 T CB 0.686 69.578 68.868 0.039 0.000 0.982 143 T HN 1.195 nan 8.240 nan 0.000 0.544 144 G N 2.408 111.237 108.800 0.049 0.000 2.212 144 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.266 144 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.266 144 G C 1.413 176.345 174.900 0.055 0.000 0.978 144 G CA 1.225 46.351 45.100 0.045 0.000 0.632 144 G HN 1.041 nan 8.290 nan 0.000 0.537 145 S N 0.934 116.679 115.700 0.076 0.000 2.383 145 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 145 S C 1.520 176.195 174.600 0.124 0.000 1.030 145 S CA 1.924 60.188 58.200 0.105 0.000 1.002 145 S CB -0.276 63.026 63.200 0.170 0.000 0.829 145 S HN 1.444 nan 8.310 nan 0.000 0.467 146 N N 0.622 119.407 118.700 0.141 0.000 2.305 146 N HA 0.144 4.884 4.740 -0.000 0.000 0.248 146 N C 0.916 176.487 175.510 0.101 0.000 1.290 146 N CA 0.294 53.428 53.050 0.141 0.000 0.873 146 N CB -0.021 38.606 38.487 0.233 0.000 1.261 146 N HN 0.419 nan 8.380 nan 0.000 0.504 147 V N -2.659 117.299 119.914 0.073 0.000 2.453 147 V HA -0.066 4.054 4.120 -0.000 0.000 0.247 147 V C 1.819 177.932 176.094 0.033 0.000 1.048 147 V CA 0.982 63.313 62.300 0.053 0.000 1.049 147 V CB -0.845 31.002 31.823 0.040 0.000 0.672 147 V HN 0.057 nan 8.190 nan 0.000 0.457 148 V N 1.652 121.581 119.914 0.026 0.000 2.295 148 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 148 V C 2.919 179.020 176.094 0.011 0.000 1.049 148 V CA 2.546 64.853 62.300 0.012 0.000 1.024 148 V CB -1.006 30.820 31.823 0.005 0.000 0.648 148 V HN 0.672 nan 8.190 nan 0.000 0.447 149 S N 0.209 115.922 115.700 0.022 0.000 2.365 149 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 149 S C 1.975 176.587 174.600 0.020 0.000 1.039 149 S CA 1.709 59.920 58.200 0.018 0.000 1.033 149 S CB -0.460 62.762 63.200 0.035 0.000 0.887 149 S HN 0.413 nan 8.310 nan 0.000 0.447 150 V N 2.002 121.941 119.914 0.041 0.000 2.453 150 V HA -0.099 4.021 4.120 -0.000 0.000 0.247 150 V C 2.684 178.777 176.094 -0.001 0.000 1.048 150 V CA 1.406 63.727 62.300 0.036 0.000 1.049 150 V CB -1.326 30.535 31.823 0.065 0.000 0.672 150 V HN 0.548 nan 8.190 nan 0.000 0.457 151 A N -0.119 122.699 122.820 -0.004 0.000 1.902 151 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 151 A C 2.183 179.745 177.584 -0.036 0.000 1.181 151 A CA 1.807 53.830 52.037 -0.023 0.000 0.623 151 A CB -0.453 18.537 19.000 -0.016 0.000 0.818 151 A HN 0.596 nan 8.150 nan 0.000 0.443 152 E N -0.529 119.655 120.200 -0.028 0.000 2.070 152 E HA -0.263 4.087 4.350 -0.000 0.000 0.197 152 E C 1.722 178.287 176.600 -0.058 0.000 1.004 152 E CA 1.554 57.931 56.400 -0.037 0.000 0.805 152 E CB -0.248 29.434 29.700 -0.030 0.000 0.744 152 E HN 0.691 nan 8.360 nan 0.000 0.451 153 D N 0.135 120.503 120.400 -0.053 0.000 2.144 153 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 153 D C 1.728 177.972 176.300 -0.093 0.000 0.984 153 D CA 1.009 54.969 54.000 -0.067 0.000 0.834 153 D CB 0.184 40.960 40.800 -0.039 0.000 0.955 153 D HN 0.176 nan 8.370 nan 0.000 0.465 154 E N -0.109 120.036 120.200 -0.091 0.000 2.051 154 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 154 E C 2.223 178.737 176.600 -0.143 0.000 0.991 154 E CA 0.455 56.783 56.400 -0.120 0.000 0.799 154 E CB -0.131 29.507 29.700 -0.104 0.000 0.748 154 E HN 0.307 nan 8.360 nan 0.000 0.449 155 L N 0.898 122.040 121.223 -0.136 0.000 2.046 155 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 155 L C 2.580 179.337 176.870 -0.189 0.000 1.077 155 L CA 1.052 55.782 54.840 -0.184 0.000 0.747 155 L CB -0.124 41.834 42.059 -0.170 0.000 0.896 155 L HN 0.246 nan 8.230 nan 0.000 0.432 156 M N -0.473 119.038 119.600 -0.148 0.000 2.082 156 M HA -0.317 4.163 4.480 -0.000 0.000 0.258 156 M C 2.351 178.550 176.300 -0.168 0.000 1.069 156 M CA 2.003 57.211 55.300 -0.154 0.000 1.102 156 M CB -0.162 32.352 32.600 -0.142 0.000 1.336 156 M HN 0.199 nan 8.290 nan 0.000 0.404 157 R N 0.009 120.412 120.500 -0.162 0.000 2.115 157 R HA -0.009 4.331 4.340 -0.000 0.000 0.226 157 R C 2.079 178.279 176.300 -0.168 0.000 1.100 157 R CA 1.494 57.496 56.100 -0.165 0.000 0.980 157 R CB -0.462 29.730 30.300 -0.181 0.000 0.875 157 R HN 0.456 nan 8.270 nan 0.000 0.445 158 I N 0.937 121.398 120.570 -0.182 0.000 2.194 158 I HA -0.335 3.835 4.170 -0.000 0.000 0.246 158 I C 2.140 178.161 176.117 -0.161 0.000 1.093 158 I CA 1.516 62.707 61.300 -0.183 0.000 1.355 158 I CB -0.305 37.568 38.000 -0.212 0.000 1.046 158 I HN 0.155 nan 8.210 nan 0.000 0.413 159 L N 0.146 121.266 121.223 -0.171 0.000 2.056 159 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 159 L C 2.538 179.361 176.870 -0.079 0.000 1.078 159 L CA 1.298 56.061 54.840 -0.128 0.000 0.749 159 L CB -0.426 41.552 42.059 -0.135 0.000 0.901 159 L HN 0.184 nan 8.230 nan 0.000 0.433 160 I N -0.174 120.340 120.570 -0.094 0.000 2.194 160 I HA -0.358 3.812 4.170 -0.000 0.000 0.246 160 I C 2.400 178.521 176.117 0.007 0.000 1.093 160 I CA 1.576 62.861 61.300 -0.025 0.000 1.355 160 I CB -0.194 37.775 38.000 -0.051 0.000 1.046 160 I HN 0.246 nan 8.210 nan 0.000 0.413 161 L N -1.022 120.171 121.223 -0.050 0.000 2.095 161 L HA -0.171 4.169 4.340 -0.000 0.000 0.204 161 L C 2.531 179.378 176.870 -0.038 0.000 1.080 161 L CA 0.864 55.672 54.840 -0.053 0.000 0.759 161 L CB -0.385 41.615 42.059 -0.098 0.000 0.914 161 L HN 0.280 nan 8.230 nan 0.000 0.439 162 M N 0.128 119.702 119.600 -0.044 0.000 2.159 162 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 162 M C 2.012 178.329 176.300 0.029 0.000 1.063 162 M CA 1.841 57.134 55.300 -0.010 0.000 1.110 162 M CB -0.185 32.399 32.600 -0.027 0.000 1.374 162 M HN 0.001 nan 8.290 nan 0.000 0.411 163 R N -0.933 119.576 120.500 0.014 0.000 2.362 163 R HA 0.194 4.534 4.340 -0.000 0.000 0.227 163 R C 0.212 176.522 176.300 0.016 0.000 0.905 163 R CA 0.229 56.341 56.100 0.020 0.000 1.067 163 R CB -0.272 30.046 30.300 0.030 0.000 1.078 163 R HN 0.357 nan 8.270 nan 0.000 0.516 164 N N 0.408 119.117 118.700 0.016 0.000 2.746 164 N HA -0.226 4.514 4.740 -0.000 0.000 0.250 164 N C 0.143 175.672 175.510 0.032 0.000 1.055 164 N CA 0.130 53.176 53.050 -0.006 0.000 0.699 164 N CB -1.436 37.001 38.487 -0.083 0.000 0.919 164 N HN 0.322 nan 8.380 nan 0.000 0.548 165 F N -0.094 119.827 119.950 -0.048 0.000 2.146 165 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 165 F C 1.846 177.650 175.800 0.006 0.000 1.096 165 F CA 1.615 59.599 58.000 -0.027 0.000 1.275 165 F CB -0.170 38.809 39.000 -0.036 0.000 1.008 165 F HN 0.091 nan 8.300 nan 0.000 0.480 166 V N 1.807 121.700 119.914 -0.036 0.000 2.343 166 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 166 V C -0.497 175.514 176.094 -0.138 0.000 1.051 166 V CA 2.293 64.531 62.300 -0.104 0.000 1.036 166 V CB -1.805 30.049 31.823 0.052 0.000 0.654 166 V HN 0.249 nan 8.190 nan 0.000 0.451 167 P HA -0.024 nan 4.420 nan 0.000 0.225 167 P C 1.641 178.847 177.300 -0.158 0.000 1.156 167 P CA 1.509 64.552 63.100 -0.094 0.000 0.787 167 P CB -0.258 31.406 31.700 -0.059 0.000 0.802 168 G N -0.716 107.945 108.800 -0.233 0.000 2.404 168 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.215 168 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.215 168 G C 1.573 176.292 174.900 -0.301 0.000 1.174 168 G CA 0.423 45.357 45.100 -0.277 0.000 0.780 168 G HN 0.196 nan 8.290 nan 0.000 0.537 169 Y N 2.168 122.128 120.300 -0.567 0.000 2.165 169 Y HA -0.167 4.383 4.550 -0.000 0.000 0.286 169 Y C 2.677 178.444 175.900 -0.222 0.000 1.155 169 Y CA 1.991 59.818 58.100 -0.455 0.000 1.164 169 Y CB -0.217 37.858 38.460 -0.640 0.000 0.978 169 Y HN 0.124 nan 8.280 nan 0.000 0.513 170 N N 0.386 118.974 118.700 -0.186 0.000 2.104 170 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 170 N C 1.785 177.185 175.510 -0.183 0.000 1.024 170 N CA 1.833 54.787 53.050 -0.160 0.000 0.853 170 N CB -0.529 37.933 38.487 -0.042 0.000 1.008 170 N HN 0.586 nan 8.380 nan 0.000 0.424 171 Q N 0.261 119.962 119.800 -0.164 0.000 2.096 171 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 171 Q C 2.117 178.036 176.000 -0.134 0.000 0.982 171 Q CA 1.092 56.818 55.803 -0.128 0.000 0.850 171 Q CB -0.149 28.506 28.738 -0.139 0.000 0.901 171 Q HN 0.149 nan 8.270 nan 0.000 0.422 172 V N 0.925 120.718 119.914 -0.202 0.000 2.252 172 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 172 V C 2.403 178.385 176.094 -0.187 0.000 1.056 172 V CA 2.033 64.231 62.300 -0.171 0.000 1.022 172 V CB -0.705 30.991 31.823 -0.213 0.000 0.641 172 V HN 0.425 nan 8.190 nan 0.000 0.445 173 V N -2.098 117.625 119.914 -0.320 0.000 2.809 173 V HA -0.076 4.044 4.120 -0.000 0.000 0.256 173 V C 1.904 177.925 176.094 -0.121 0.000 1.080 173 V CA 1.586 63.738 62.300 -0.246 0.000 1.102 173 V CB -0.802 30.814 31.823 -0.344 0.000 0.705 173 V HN 0.504 nan 8.190 nan 0.000 0.475 174 K N 0.885 121.224 120.400 -0.101 0.000 2.404 174 K HA 0.374 4.694 4.320 -0.000 0.000 0.194 174 K C 1.405 177.992 176.600 -0.022 0.000 1.023 174 K CA 0.557 56.816 56.287 -0.048 0.000 1.094 174 K CB 0.294 32.772 32.500 -0.037 0.000 0.841 174 K HN 0.744 nan 8.250 nan 0.000 0.523 175 G N 2.106 110.894 108.800 -0.019 0.000 2.136 175 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 175 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 175 G C -0.298 174.630 174.900 0.047 0.000 0.989 175 G CA 0.114 45.222 45.100 0.015 0.000 0.682 175 G HN 0.391 nan 8.290 nan 0.000 0.522 176 E N -1.280 118.948 120.200 0.046 0.000 2.280 176 E HA 0.618 4.968 4.350 -0.000 0.000 0.261 176 E C -0.419 176.291 176.600 0.183 0.000 1.088 176 E CA -0.890 55.559 56.400 0.081 0.000 0.915 176 E CB 1.319 31.035 29.700 0.028 0.000 1.141 176 E HN 0.280 nan 8.360 nan 0.000 0.433 177 W N 2.495 123.781 121.300 -0.025 0.000 3.097 177 W HA 0.249 4.909 4.660 -0.000 0.000 0.325 177 W C -1.875 174.638 176.519 -0.011 0.000 1.056 177 W CA -0.356 56.977 57.345 -0.020 0.000 1.254 177 W CB 0.689 30.139 29.460 -0.018 0.000 1.202 177 W HN 0.640 nan 8.180 nan 0.000 0.400 178 N N 5.094 123.703 118.700 -0.151 0.000 2.751 178 N HA 0.109 4.849 4.740 -0.000 0.000 0.238 178 N C 0.162 175.569 175.510 -0.170 0.000 1.351 178 N CA -0.179 52.835 53.050 -0.061 0.000 0.751 178 N CB 1.209 39.694 38.487 -0.004 0.000 1.342 178 N HN 0.058 nan 8.380 nan 0.000 0.540 179 V N 1.786 121.565 119.914 -0.224 0.000 2.392 179 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 179 V C 2.508 178.556 176.094 -0.075 0.000 1.059 179 V CA 2.433 64.605 62.300 -0.213 0.000 1.051 179 V CB -0.576 31.159 31.823 -0.147 0.000 0.658 179 V HN 0.724 nan 8.190 nan 0.000 0.455 180 A N 0.582 123.396 122.820 -0.010 0.000 1.972 180 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 180 A C 2.351 180.011 177.584 0.127 0.000 1.169 180 A CA 1.744 53.809 52.037 0.047 0.000 0.635 180 A CB -1.030 17.993 19.000 0.038 0.000 0.810 180 A HN 0.553 nan 8.150 nan 0.000 0.446 181 G N -0.801 108.049 108.800 0.084 0.000 2.559 181 G HA2 0.035 3.995 3.960 -0.000 0.000 0.216 181 G HA3 0.035 3.995 3.960 -0.000 0.000 0.216 181 G C 1.263 176.273 174.900 0.182 0.000 1.126 181 G CA 1.097 46.294 45.100 0.161 0.000 0.778 181 G HN 0.519 nan 8.290 nan 0.000 0.543 182 I N -0.180 120.407 120.570 0.029 0.000 3.445 182 I HA 0.210 4.380 4.170 -0.000 0.000 0.288 182 I C 2.841 178.861 176.117 -0.161 0.000 1.198 182 I CA 0.631 61.875 61.300 -0.093 0.000 1.417 182 I CB 0.193 38.112 38.000 -0.134 0.000 1.205 182 I HN 0.083 nan 8.210 nan 0.000 0.448 183 A N 0.974 123.743 122.820 -0.084 0.000 2.014 183 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 183 A C 2.212 179.712 177.584 -0.139 0.000 1.163 183 A CA 1.214 53.183 52.037 -0.113 0.000 0.652 183 A CB -0.955 18.007 19.000 -0.063 0.000 0.808 183 A HN 0.645 nan 8.150 nan 0.000 0.449 184 Y N -1.517 118.731 120.300 -0.085 0.000 2.403 184 Y HA 0.032 4.582 4.550 -0.000 0.000 0.291 184 Y C 1.943 177.798 175.900 -0.076 0.000 1.143 184 Y CA 1.492 59.548 58.100 -0.074 0.000 1.257 184 Y CB -0.227 38.210 38.460 -0.038 0.000 0.984 184 Y HN 0.152 nan 8.280 nan 0.000 0.550 185 R N 0.356 120.391 120.500 -0.775 0.000 2.373 185 R HA 0.460 4.800 4.340 -0.000 0.000 0.221 185 R C 0.175 176.305 176.300 -0.283 0.000 0.893 185 R CA 0.337 56.088 56.100 -0.583 0.000 1.049 185 R CB 0.500 30.281 30.300 -0.865 0.000 1.119 185 R HN 0.284 nan 8.270 nan 0.000 0.535 186 A N 0.701 123.319 122.820 -0.335 0.000 2.363 186 A HA 0.463 4.782 4.320 -0.000 0.000 0.270 186 A C -1.172 176.189 177.584 -0.372 0.000 1.121 186 A CA 0.118 52.021 52.037 -0.222 0.000 0.800 186 A CB 0.174 19.070 19.000 -0.173 0.000 1.052 186 A HN 0.162 nan 8.150 nan 0.000 0.493 187 Y N 0.238 120.500 120.300 -0.062 0.000 2.576 187 Y HA 0.361 4.911 4.550 -0.000 0.000 0.346 187 Y C -0.152 175.733 175.900 -0.025 0.000 1.018 187 Y CA -0.801 57.275 58.100 -0.040 0.000 1.050 187 Y CB 1.760 40.195 38.460 -0.043 0.000 1.280 187 Y HN 0.631 nan 8.280 nan 0.000 0.474 188 D N 1.129 121.623 120.400 0.157 0.000 2.313 188 D HA 0.078 4.718 4.640 -0.000 0.000 0.247 188 D C 0.802 177.165 176.300 0.105 0.000 1.094 188 D CA -0.220 53.844 54.000 0.107 0.000 0.925 188 D CB 1.546 42.401 40.800 0.091 0.000 1.188 188 D HN 0.456 nan 8.370 nan 0.000 0.430 189 L N 1.197 122.466 121.223 0.077 0.000 2.093 189 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 189 L C 0.905 177.813 176.870 0.063 0.000 1.085 189 L CA 1.357 56.219 54.840 0.036 0.000 0.755 189 L CB -0.400 41.642 42.059 -0.028 0.000 0.904 189 L HN 0.488 nan 8.230 nan 0.000 0.435 190 E N -0.505 119.763 120.200 0.113 0.000 2.765 190 E HA 0.045 4.395 4.350 -0.000 0.000 0.256 190 E C 1.122 177.758 176.600 0.061 0.000 0.935 190 E CA 0.811 57.271 56.400 0.099 0.000 0.954 190 E CB -0.150 29.604 29.700 0.090 0.000 0.908 190 E HN 0.563 nan 8.360 nan 0.000 0.500 191 G N 3.783 112.611 108.800 0.046 0.000 2.205 191 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.261 191 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.261 191 G C 0.023 174.925 174.900 0.003 0.000 0.980 191 G CA 0.440 45.556 45.100 0.026 0.000 0.632 191 G HN 0.476 nan 8.290 nan 0.000 0.533 192 K N 0.802 121.198 120.400 -0.007 0.000 2.090 192 K HA 0.595 4.915 4.320 -0.000 0.000 0.250 192 K C 0.068 176.648 176.600 -0.034 0.000 1.004 192 K CA -0.141 56.121 56.287 -0.041 0.000 0.919 192 K CB 0.756 33.217 32.500 -0.066 0.000 1.045 192 K HN 0.104 nan 8.250 nan 0.000 0.471 193 T N 2.365 116.890 114.554 -0.048 0.000 2.767 193 T HA 0.455 4.805 4.350 -0.000 0.000 0.284 193 T C -0.076 174.598 174.700 -0.043 0.000 0.973 193 T CA -0.591 61.488 62.100 -0.034 0.000 0.996 193 T CB 0.402 69.250 68.868 -0.033 0.000 0.927 193 T HN 0.180 nan 8.240 nan 0.000 0.456 194 I N 2.883 123.436 120.570 -0.030 0.000 2.436 194 I HA 0.512 4.682 4.170 -0.000 0.000 0.289 194 I C 0.612 176.724 176.117 -0.008 0.000 1.010 194 I CA -1.039 60.238 61.300 -0.038 0.000 1.098 194 I CB 1.379 39.348 38.000 -0.052 0.000 1.266 194 I HN 0.717 nan 8.210 nan 0.000 0.434 195 G N 2.893 111.688 108.800 -0.008 0.000 2.417 195 G HA2 0.450 4.410 3.960 -0.000 0.000 0.320 195 G HA3 0.450 4.410 3.960 -0.000 0.000 0.320 195 G C -0.509 174.412 174.900 0.035 0.000 1.204 195 G CA -0.360 44.759 45.100 0.030 0.000 0.923 195 G HN 0.510 nan 8.290 nan 0.000 0.466 196 T N 1.471 116.073 114.554 0.080 0.000 2.743 196 T HA 0.317 4.667 4.350 -0.000 0.000 0.293 196 T C 0.261 175.046 174.700 0.142 0.000 0.945 196 T CA -0.363 61.784 62.100 0.078 0.000 1.030 196 T CB 0.555 69.457 68.868 0.057 0.000 0.912 196 T HN 0.265 nan 8.240 nan 0.000 0.483 197 V N 5.503 125.489 119.914 0.119 0.000 2.313 197 V HA 0.617 4.737 4.120 -0.000 0.000 0.252 197 V C 0.967 177.156 176.094 0.158 0.000 1.112 197 V CA 0.204 62.619 62.300 0.191 0.000 0.984 197 V CB -0.595 31.356 31.823 0.213 0.000 1.157 197 V HN 1.266 nan 8.190 nan 0.000 0.493 198 G N 3.726 112.623 108.800 0.162 0.000 3.055 198 G HA2 0.394 4.354 3.960 -0.000 0.000 0.685 198 G HA3 0.394 4.354 3.960 -0.000 0.000 0.685 198 G C -0.451 174.508 174.900 0.097 0.000 1.212 198 G CA -0.334 44.827 45.100 0.102 0.000 0.822 198 G HN 1.472 nan 8.290 nan 0.000 0.610 199 A N 1.544 124.416 122.820 0.087 0.000 3.355 199 A HA 0.847 5.167 4.320 -0.000 0.000 0.290 199 A C 1.021 178.594 177.584 -0.018 0.000 0.973 199 A CA 0.965 53.009 52.037 0.012 0.000 0.933 199 A CB 0.069 19.029 19.000 -0.067 0.000 1.138 199 A HN 2.150 nan 8.150 nan 0.000 0.490 200 G N -0.045 108.750 108.800 -0.007 0.000 2.829 200 G HA2 0.311 4.271 3.960 -0.000 0.000 0.173 200 G HA3 0.311 4.271 3.960 -0.000 0.000 0.173 200 G C 0.908 175.797 174.900 -0.019 0.000 1.476 200 G CA -0.330 44.763 45.100 -0.011 0.000 1.072 200 G HN 0.460 nan 8.290 nan 0.000 0.577 201 R N -1.056 119.440 120.500 -0.005 0.000 2.073 201 R HA 0.018 4.358 4.340 -0.000 0.000 0.234 201 R C 2.589 178.885 176.300 -0.007 0.000 1.134 201 R CA 1.253 57.350 56.100 -0.004 0.000 0.952 201 R CB -0.376 29.932 30.300 0.013 0.000 0.850 201 R HN 0.442 nan 8.270 nan 0.000 0.433 202 I N -0.463 120.106 120.570 -0.001 0.000 2.233 202 I HA -0.115 4.055 4.170 -0.000 0.000 0.243 202 I C 2.543 178.648 176.117 -0.019 0.000 1.093 202 I CA 1.222 62.520 61.300 -0.003 0.000 1.380 202 I CB -0.641 37.363 38.000 0.007 0.000 1.067 202 I HN 0.303 nan 8.210 nan 0.000 0.413 203 G N 1.202 109.989 108.800 -0.022 0.000 2.469 203 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 203 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 203 G C 1.743 176.606 174.900 -0.061 0.000 1.150 203 G CA 0.867 45.948 45.100 -0.033 0.000 0.763 203 G HN 0.325 nan 8.290 nan 0.000 0.561 204 K N -0.238 120.119 120.400 -0.072 0.000 2.057 204 K HA 0.124 4.444 4.320 -0.000 0.000 0.206 204 K C 2.526 179.089 176.600 -0.061 0.000 1.050 204 K CA 0.686 56.917 56.287 -0.093 0.000 0.935 204 K CB -0.272 32.176 32.500 -0.088 0.000 0.715 204 K HN 0.260 nan 8.250 nan 0.000 0.439 205 L N 0.846 122.045 121.223 -0.039 0.000 2.131 205 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 205 L C 2.368 179.224 176.870 -0.024 0.000 1.092 205 L CA 0.434 55.259 54.840 -0.025 0.000 0.759 205 L CB -0.356 41.694 42.059 -0.015 0.000 0.903 205 L HN 0.174 nan 8.230 nan 0.000 0.435 206 L N -0.277 120.926 121.223 -0.033 0.000 2.056 206 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 206 L C 2.264 179.115 176.870 -0.032 0.000 1.078 206 L CA 1.675 56.493 54.840 -0.037 0.000 0.749 206 L CB -0.330 41.700 42.059 -0.048 0.000 0.901 206 L HN 0.086 nan 8.230 nan 0.000 0.433 207 L N -0.858 120.342 121.223 -0.038 0.000 2.083 207 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 207 L C 2.670 179.536 176.870 -0.008 0.000 1.083 207 L CA 1.300 56.123 54.840 -0.029 0.000 0.752 207 L CB -0.681 41.342 42.059 -0.060 0.000 0.899 207 L HN 0.389 nan 8.230 nan 0.000 0.433 208 Q N -0.074 119.717 119.800 -0.014 0.000 2.096 208 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 208 Q C 2.347 178.366 176.000 0.031 0.000 0.982 208 Q CA 1.665 57.469 55.803 0.001 0.000 0.850 208 Q CB -0.131 28.602 28.738 -0.009 0.000 0.901 208 Q HN 0.458 nan 8.270 nan 0.000 0.422 209 R N 0.014 120.536 120.500 0.037 0.000 2.153 209 R HA 0.023 4.363 4.340 -0.000 0.000 0.218 209 R C 2.113 178.519 176.300 0.177 0.000 1.072 209 R CA 0.541 56.693 56.100 0.087 0.000 0.990 209 R CB 0.015 30.350 30.300 0.058 0.000 0.889 209 R HN 0.191 nan 8.270 nan 0.000 0.452 210 L N 0.606 121.889 121.223 0.101 0.000 2.291 210 L HA -0.105 4.235 4.340 -0.000 0.000 0.214 210 L C 2.249 179.256 176.870 0.229 0.000 1.120 210 L CA 0.733 55.652 54.840 0.131 0.000 0.799 210 L CB -0.222 41.834 42.059 -0.006 0.000 0.925 210 L HN 0.037 nan 8.230 nan 0.000 0.446 211 K N 1.491 121.974 120.400 0.138 0.000 2.034 211 K HA -0.171 4.149 4.320 -0.000 0.000 0.214 211 K C -0.684 175.973 176.600 0.096 0.000 1.051 211 K CA 1.829 58.172 56.287 0.093 0.000 0.931 211 K CB -1.404 31.125 32.500 0.048 0.000 0.715 211 K HN 0.153 nan 8.250 nan 0.000 0.446 212 P HA -0.031 nan 4.420 nan 0.000 0.242 212 P C 0.492 177.735 177.300 -0.095 0.000 1.197 212 P CA 0.768 63.841 63.100 -0.044 0.000 0.765 212 P CB -0.068 31.549 31.700 -0.138 0.000 0.936 213 F N 0.370 120.313 119.950 -0.012 0.000 2.615 213 F HA 0.265 4.792 4.527 -0.000 0.000 0.297 213 F C 1.702 177.498 175.800 -0.007 0.000 1.124 213 F CA 1.073 59.066 58.000 -0.011 0.000 1.451 213 F CB -0.687 38.304 39.000 -0.016 0.000 1.103 213 F HN 0.025 nan 8.300 nan 0.000 0.569 214 G N 0.643 109.528 108.800 0.142 0.000 2.341 214 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.278 214 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.278 214 G C -0.256 174.692 174.900 0.080 0.000 1.111 214 G CA -0.216 44.932 45.100 0.081 0.000 0.982 214 G HN 0.324 nan 8.290 nan 0.000 0.502 215 C N -0.410 118.939 119.300 0.081 0.000 2.407 215 C HA 0.715 5.175 4.460 -0.000 0.000 0.366 215 C C 0.792 175.804 174.990 0.036 0.000 1.213 215 C CA -0.844 58.204 59.018 0.050 0.000 2.011 215 C CB 1.578 29.340 27.740 0.036 0.000 2.306 215 C HN 0.736 nan 8.230 nan 0.000 0.527 216 N N 1.411 120.124 118.700 0.022 0.000 2.469 216 N HA 0.364 5.104 4.740 -0.000 0.000 0.239 216 N C -1.157 174.368 175.510 0.026 0.000 1.053 216 N CA 0.064 53.127 53.050 0.022 0.000 0.937 216 N CB -0.144 38.349 38.487 0.010 0.000 1.163 216 N HN 0.523 nan 8.380 nan 0.000 0.509 217 L N 4.122 125.372 121.223 0.045 0.000 2.264 217 L HA 0.445 4.785 4.340 -0.000 0.000 0.289 217 L C -0.168 176.761 176.870 0.098 0.000 1.044 217 L CA -0.624 54.252 54.840 0.061 0.000 0.807 217 L CB 0.786 42.883 42.059 0.065 0.000 1.192 217 L HN 0.300 nan 8.230 nan 0.000 0.425 218 L N 4.155 125.437 121.223 0.098 0.000 2.342 218 L HA 0.596 4.936 4.340 -0.000 0.000 0.271 218 L C -0.936 176.058 176.870 0.206 0.000 1.008 218 L CA -0.982 53.926 54.840 0.114 0.000 0.818 218 L CB 1.951 44.032 42.059 0.036 0.000 1.296 218 L HN 0.466 nan 8.230 nan 0.000 0.427 219 Y N -0.173 120.164 120.300 0.061 0.000 2.534 219 Y HA 0.668 5.218 4.550 0.000 0.000 0.345 219 Y C -1.204 174.760 175.900 0.107 0.000 1.031 219 Y CA -1.157 56.998 58.100 0.092 0.000 1.022 219 Y CB 1.330 39.855 38.460 0.109 0.000 1.292 219 Y HN 0.583 nan 8.280 nan 0.000 0.459 220 H N 2.626 121.737 119.070 0.067 0.000 2.589 220 H HA 0.645 5.201 4.556 -0.000 0.000 0.351 220 H C -1.838 173.592 175.328 0.171 0.000 1.074 220 H CA -0.396 55.623 56.048 -0.048 0.000 1.203 220 H CB 1.689 31.401 29.762 -0.083 0.000 1.558 220 H HN 0.922 nan 8.280 nan 0.000 0.522 221 D N 2.756 122.852 120.400 -0.507 0.000 2.653 221 D HA 0.145 4.785 4.640 -0.000 0.000 0.258 221 D C 0.388 176.551 176.300 -0.227 0.000 1.252 221 D CA -0.558 53.289 54.000 -0.254 0.000 0.777 221 D CB 1.782 42.664 40.800 0.137 0.000 1.339 221 D HN 0.719 nan 8.370 nan 0.000 0.422 222 R N 0.310 120.747 120.500 -0.104 0.000 2.189 222 R HA 0.104 4.444 4.340 -0.000 0.000 0.223 222 R C 0.294 176.630 176.300 0.059 0.000 1.092 222 R CA 0.754 56.859 56.100 0.008 0.000 0.989 222 R CB 0.120 30.431 30.300 0.019 0.000 0.876 222 R HN 0.246 nan 8.270 nan 0.000 0.457 223 L N 1.179 122.432 121.223 0.050 0.000 2.325 223 L HA 0.281 4.621 4.340 -0.000 0.000 0.281 223 L C -0.191 176.666 176.870 -0.022 0.000 1.004 223 L CA -0.635 54.208 54.840 0.005 0.000 0.823 223 L CB 1.875 43.935 42.059 0.002 0.000 1.236 223 L HN 0.010 nan 8.230 nan 0.000 0.415 224 Q N 3.187 122.824 119.800 -0.272 0.000 2.340 224 Q HA 0.366 4.706 4.340 -0.000 0.000 0.249 224 Q C -0.401 175.512 176.000 -0.145 0.000 0.957 224 Q CA -0.405 55.086 55.803 -0.520 0.000 0.882 224 Q CB 1.140 29.261 28.738 -1.029 0.000 1.235 224 Q HN 0.537 nan 8.270 nan 0.000 0.439 225 M N 1.946 121.552 119.600 0.011 0.000 2.198 225 M HA 0.255 4.735 4.480 -0.000 0.000 0.315 225 M C 0.291 176.554 176.300 -0.061 0.000 1.134 225 M CA -0.345 54.914 55.300 -0.070 0.000 1.171 225 M CB 0.493 32.981 32.600 -0.187 0.000 1.413 225 M HN 0.770 nan 8.290 nan 0.000 0.467 226 A N 1.837 124.621 122.820 -0.059 0.000 2.520 226 A HA 0.173 4.493 4.320 -0.000 0.000 0.235 226 A C -1.793 175.775 177.584 -0.027 0.000 1.065 226 A CA -1.039 50.973 52.037 -0.042 0.000 0.764 226 A CB -0.670 18.309 19.000 -0.035 0.000 1.002 226 A HN 0.607 nan 8.150 nan 0.000 0.502 227 P HA -0.119 nan 4.420 nan 0.000 0.218 227 P C 0.713 178.014 177.300 0.002 0.000 1.149 227 P CA 1.469 64.569 63.100 -0.000 0.000 0.817 227 P CB 0.147 31.846 31.700 -0.001 0.000 0.785 228 E N -0.875 119.321 120.200 -0.007 0.000 2.150 228 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 228 E C 1.765 178.359 176.600 -0.010 0.000 0.985 228 E CA 0.612 57.009 56.400 -0.006 0.000 0.814 228 E CB -1.089 28.606 29.700 -0.009 0.000 0.752 228 E HN 0.129 nan 8.360 nan 0.000 0.466 229 L N 1.137 122.347 121.223 -0.022 0.000 2.131 229 L HA -0.049 4.291 4.340 -0.000 0.000 0.206 229 L C 1.725 178.576 176.870 -0.032 0.000 1.087 229 L CA 1.704 56.522 54.840 -0.038 0.000 0.767 229 L CB -0.333 41.686 42.059 -0.066 0.000 0.917 229 L HN 0.056 nan 8.230 nan 0.000 0.441 230 E N -0.502 119.693 120.200 -0.008 0.000 2.118 230 E HA -0.303 4.047 4.350 -0.000 0.000 0.195 230 E C 2.044 178.670 176.600 0.045 0.000 0.992 230 E CA 1.499 57.925 56.400 0.044 0.000 0.804 230 E CB -0.092 29.675 29.700 0.112 0.000 0.741 230 E HN 0.458 nan 8.360 nan 0.000 0.458 231 K N 1.319 121.736 120.400 0.029 0.000 2.062 231 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 231 K C 1.833 178.443 176.600 0.017 0.000 1.051 231 K CA 1.262 57.564 56.287 0.026 0.000 0.941 231 K CB 0.119 32.630 32.500 0.019 0.000 0.719 231 K HN 0.014 nan 8.250 nan 0.000 0.440 232 E N -0.063 120.141 120.200 0.007 0.000 2.077 232 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 232 E C 1.957 178.560 176.600 0.006 0.000 0.989 232 E CA 2.000 58.402 56.400 0.002 0.000 0.800 232 E CB -0.062 29.634 29.700 -0.007 0.000 0.746 232 E HN 0.599 nan 8.360 nan 0.000 0.452 233 T N -3.192 111.364 114.554 0.004 0.000 3.014 233 T HA 0.130 4.480 4.350 -0.000 0.000 0.263 233 T C 1.676 176.394 174.700 0.029 0.000 1.078 233 T CA 0.592 62.697 62.100 0.008 0.000 1.135 233 T CB 0.218 69.077 68.868 -0.016 0.000 0.895 233 T HN 0.312 nan 8.240 nan 0.000 0.480 234 G N 1.518 110.342 108.800 0.039 0.000 2.143 234 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.248 234 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.248 234 G C 0.183 175.132 174.900 0.083 0.000 0.991 234 G CA -0.019 45.114 45.100 0.055 0.000 0.689 234 G HN 1.205 nan 8.290 nan 0.000 0.522 235 A N -0.179 122.704 122.820 0.105 0.000 2.331 235 A HA 0.713 5.033 4.320 -0.000 0.000 0.283 235 A C 0.368 178.133 177.584 0.303 0.000 1.142 235 A CA 0.347 52.497 52.037 0.188 0.000 0.812 235 A CB 0.700 19.799 19.000 0.165 0.000 1.074 235 A HN 0.667 nan 8.150 nan 0.000 0.497 236 K N 2.656 123.219 120.400 0.272 0.000 2.213 236 K HA 0.438 4.758 4.320 -0.000 0.000 0.270 236 K C -1.024 175.615 176.600 0.065 0.000 1.002 236 K CA -0.515 55.887 56.287 0.192 0.000 0.868 236 K CB 0.614 33.166 32.500 0.088 0.000 1.093 236 K HN 0.532 nan 8.250 nan 0.000 0.454 237 F N 4.920 124.721 119.950 -0.249 0.000 2.495 237 F HA 0.248 4.775 4.527 -0.000 0.000 0.365 237 F C -0.866 174.720 175.800 -0.356 0.000 1.090 237 F CA -0.066 57.501 58.000 -0.721 0.000 1.235 237 F CB 0.743 39.452 39.000 -0.486 0.000 1.119 237 F HN 0.161 nan 8.300 nan 0.000 0.562 238 V N 7.760 127.070 119.914 -1.006 0.000 2.380 238 V HA 0.135 4.255 4.120 -0.000 0.000 0.286 238 V C 0.743 176.335 176.094 -0.836 0.000 1.015 238 V CA -0.625 61.266 62.300 -0.683 0.000 0.834 238 V CB 1.050 32.676 31.823 -0.327 0.000 1.009 238 V HN 0.940 nan 8.190 nan 0.000 0.428 239 E N 2.503 122.201 120.200 -0.837 0.000 2.051 239 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 239 E C 0.675 177.202 176.600 -0.122 0.000 0.991 239 E CA 1.134 57.222 56.400 -0.519 0.000 0.799 239 E CB 0.293 29.882 29.700 -0.185 0.000 0.748 239 E HN 0.793 nan 8.360 nan 0.000 0.449 240 D N 0.185 120.494 120.400 -0.152 0.000 2.316 240 D HA -0.025 4.615 4.640 -0.000 0.000 0.245 240 D C 0.824 176.959 176.300 -0.275 0.000 1.171 240 D CA -0.224 53.690 54.000 -0.143 0.000 0.856 240 D CB 1.388 42.119 40.800 -0.114 0.000 1.090 240 D HN 0.022 nan 8.370 nan 0.000 0.476 241 L N 5.129 126.046 121.223 -0.510 0.000 2.043 241 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 241 L C 1.398 178.074 176.870 -0.322 0.000 1.075 241 L CA 1.759 56.182 54.840 -0.696 0.000 0.752 241 L CB -0.764 40.801 42.059 -0.823 0.000 0.891 241 L HN 0.429 nan 8.230 nan 0.000 0.432 242 N N -0.255 118.307 118.700 -0.231 0.000 2.364 242 N HA -0.206 4.534 4.740 -0.000 0.000 0.183 242 N C 1.768 177.209 175.510 -0.115 0.000 1.022 242 N CA 1.229 54.190 53.050 -0.149 0.000 0.883 242 N CB -0.114 38.301 38.487 -0.119 0.000 0.965 242 N HN 0.618 nan 8.380 nan 0.000 0.438 243 E N 0.198 120.321 120.200 -0.128 0.000 2.112 243 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 243 E C 1.923 178.466 176.600 -0.096 0.000 0.979 243 E CA 0.397 56.736 56.400 -0.101 0.000 0.814 243 E CB 0.063 29.700 29.700 -0.106 0.000 0.762 243 E HN 0.235 nan 8.360 nan 0.000 0.460 244 M N 0.539 120.067 119.600 -0.120 0.000 2.099 244 M HA -0.135 4.345 4.480 -0.000 0.000 0.262 244 M C 2.057 178.325 176.300 -0.054 0.000 1.067 244 M CA 1.121 56.367 55.300 -0.089 0.000 1.124 244 M CB -0.035 32.507 32.600 -0.097 0.000 1.353 244 M HN 0.180 nan 8.290 nan 0.000 0.410 245 L N 0.674 121.867 121.223 -0.050 0.000 1.991 245 L HA -0.230 4.110 4.340 -0.000 0.000 0.221 245 L C -0.564 176.302 176.870 -0.006 0.000 1.079 245 L CA 1.832 56.668 54.840 -0.006 0.000 0.778 245 L CB -2.616 39.450 42.059 0.012 0.000 0.893 245 L HN 0.285 nan 8.230 nan 0.000 0.437 246 P HA -0.124 nan 4.420 nan 0.000 0.230 246 P C 1.012 178.297 177.300 -0.024 0.000 1.158 246 P CA 1.265 64.359 63.100 -0.010 0.000 0.769 246 P CB -0.032 31.662 31.700 -0.009 0.000 0.807 247 K N -1.080 119.302 120.400 -0.030 0.000 2.366 247 K HA 0.043 4.363 4.320 -0.000 0.000 0.198 247 K C 0.526 177.102 176.600 -0.040 0.000 1.044 247 K CA 0.238 56.505 56.287 -0.034 0.000 0.973 247 K CB -0.153 32.327 32.500 -0.033 0.000 0.767 247 K HN 0.151 nan 8.250 nan 0.000 0.475 248 C N 2.371 121.647 119.300 -0.040 0.000 2.415 248 C HA 0.135 4.595 4.460 -0.000 0.000 0.369 248 C C 1.413 176.359 174.990 -0.072 0.000 1.279 248 C CA -0.930 58.059 59.018 -0.048 0.000 1.886 248 C CB 0.414 28.132 27.740 -0.036 0.000 2.468 248 C HN 0.438 nan 8.230 nan 0.000 0.553 249 D N 1.179 121.528 120.400 -0.085 0.000 2.183 249 D HA -0.018 4.622 4.640 -0.000 0.000 0.203 249 D C 0.422 176.653 176.300 -0.114 0.000 0.969 249 D CA 1.379 55.311 54.000 -0.113 0.000 0.842 249 D CB 0.316 41.038 40.800 -0.130 0.000 0.957 249 D HN 0.366 nan 8.370 nan 0.000 0.484 250 V N 1.878 121.731 119.914 -0.101 0.000 2.656 250 V HA 0.297 4.417 4.120 -0.000 0.000 0.307 250 V C -0.311 175.726 176.094 -0.096 0.000 1.051 250 V CA -0.760 61.474 62.300 -0.111 0.000 0.893 250 V CB 3.019 34.771 31.823 -0.118 0.000 0.999 250 V HN -0.081 nan 8.190 nan 0.000 0.426 251 I N 4.572 125.073 120.570 -0.116 0.000 2.433 251 I HA 0.549 4.719 4.170 -0.000 0.000 0.292 251 I C -0.495 175.528 176.117 -0.156 0.000 1.001 251 I CA -0.537 60.696 61.300 -0.111 0.000 1.119 251 I CB 2.108 40.042 38.000 -0.110 0.000 1.289 251 I HN 0.304 nan 8.210 nan 0.000 0.438 252 V N 6.435 126.275 119.914 -0.123 0.000 2.487 252 V HA 0.447 4.567 4.120 -0.000 0.000 0.298 252 V C 0.060 176.085 176.094 -0.115 0.000 1.028 252 V CA -0.756 61.459 62.300 -0.141 0.000 0.860 252 V CB 2.384 34.142 31.823 -0.109 0.000 0.991 252 V HN 0.337 nan 8.190 nan 0.000 0.427 253 I N 4.413 124.891 120.570 -0.153 0.000 2.352 253 I HA 0.393 4.563 4.170 -0.000 0.000 0.290 253 I C 0.381 176.469 176.117 -0.048 0.000 1.036 253 I CA 0.159 61.397 61.300 -0.104 0.000 1.336 253 I CB 0.823 38.734 38.000 -0.148 0.000 1.407 253 I HN 0.640 nan 8.210 nan 0.000 0.497 254 N N 6.695 125.395 118.700 -0.000 0.000 2.598 254 N HA 0.330 5.070 4.740 -0.000 0.000 0.295 254 N C -0.664 174.855 175.510 0.015 0.000 1.729 254 N CA -0.093 52.960 53.050 0.004 0.000 0.877 254 N CB 0.974 39.462 38.487 0.003 0.000 1.405 254 N HN 0.527 nan 8.380 nan 0.000 0.491 255 M N 0.222 119.832 119.600 0.017 0.000 2.716 255 M HA 0.557 5.037 4.480 -0.000 0.000 0.307 255 M C -2.308 173.965 176.300 -0.044 0.000 1.223 255 M CA -1.734 53.561 55.300 -0.008 0.000 0.871 255 M CB 1.793 34.409 32.600 0.027 0.000 1.739 255 M HN -0.156 nan 8.290 nan 0.000 0.475 256 P HA 0.173 nan 4.420 nan 0.000 0.272 256 P C -1.219 176.018 177.300 -0.105 0.000 1.240 256 P CA -0.614 62.356 63.100 -0.217 0.000 0.791 256 P CB 0.382 31.643 31.700 -0.730 0.000 0.978 257 L N 1.855 123.087 121.223 0.015 0.000 2.325 257 L HA 0.425 4.764 4.340 -0.000 0.000 0.284 257 L C 0.068 177.026 176.870 0.148 0.000 1.089 257 L CA 0.642 55.540 54.840 0.098 0.000 0.836 257 L CB -0.698 41.448 42.059 0.145 0.000 1.184 257 L HN 0.577 nan 8.230 nan 0.000 0.444 258 T N 0.304 114.920 114.554 0.104 0.000 2.887 258 T HA 0.422 4.772 4.350 -0.000 0.000 0.292 258 T C 0.731 175.497 174.700 0.109 0.000 1.087 258 T CA -0.688 61.499 62.100 0.145 0.000 1.009 258 T CB 1.158 70.072 68.868 0.076 0.000 1.203 258 T HN 0.493 nan 8.240 nan 0.000 0.518 259 E N 0.797 121.060 120.200 0.105 0.000 2.130 259 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 259 E C 1.763 178.397 176.600 0.057 0.000 0.998 259 E CA 1.512 57.955 56.400 0.071 0.000 0.806 259 E CB -0.146 29.590 29.700 0.061 0.000 0.738 259 E HN 0.676 nan 8.360 nan 0.000 0.459 260 K N -0.111 120.323 120.400 0.056 0.000 2.062 260 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 260 K C 2.335 178.963 176.600 0.045 0.000 1.051 260 K CA 1.630 57.942 56.287 0.043 0.000 0.941 260 K CB -0.170 32.354 32.500 0.040 0.000 0.719 260 K HN 0.210 nan 8.250 nan 0.000 0.440 261 T N -0.938 113.651 114.554 0.059 0.000 3.023 261 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 261 T C 1.010 175.769 174.700 0.098 0.000 1.093 261 T CA -0.038 62.110 62.100 0.081 0.000 1.129 261 T CB -0.105 68.813 68.868 0.084 0.000 0.899 261 T HN 0.031 nan 8.240 nan 0.000 0.491 262 R N 1.407 121.959 120.500 0.086 0.000 2.480 262 R HA 0.292 4.632 4.340 -0.000 0.000 0.303 262 R C 1.391 177.739 176.300 0.080 0.000 0.985 262 R CA 1.039 57.192 56.100 0.088 0.000 1.051 262 R CB -0.625 29.719 30.300 0.074 0.000 0.935 262 R HN 0.575 nan 8.270 nan 0.000 0.410 263 G N 4.318 113.179 108.800 0.102 0.000 2.166 263 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.260 263 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.260 263 G C 0.636 175.586 174.900 0.083 0.000 0.986 263 G CA 0.582 45.739 45.100 0.094 0.000 0.683 263 G HN 0.752 nan 8.290 nan 0.000 0.527 264 M N -0.951 118.703 119.600 0.091 0.000 2.106 264 M HA 0.104 4.584 4.480 -0.000 0.000 0.259 264 M C 0.966 177.190 176.300 -0.126 0.000 1.068 264 M CA 1.534 56.827 55.300 -0.012 0.000 1.100 264 M CB -0.046 32.565 32.600 0.018 0.000 1.351 264 M HN 0.162 nan 8.290 nan 0.000 0.404 265 F N 2.336 122.313 119.950 0.046 0.000 2.626 265 F HA 0.166 4.693 4.527 0.000 0.000 0.353 265 F C 0.466 176.292 175.800 0.044 0.000 1.230 265 F CA -0.942 57.084 58.000 0.043 0.000 1.298 265 F CB -0.723 38.309 39.000 0.054 0.000 1.670 265 F HN 0.348 nan 8.300 nan 0.000 0.633 266 N N 0.287 119.030 118.700 0.073 0.000 2.495 266 N HA 0.162 4.902 4.740 -0.000 0.000 0.294 266 N C 1.233 176.774 175.510 0.051 0.000 1.276 266 N CA -0.706 52.381 53.050 0.061 0.000 0.973 266 N CB 0.360 38.856 38.487 0.015 0.000 1.143 266 N HN 0.205 nan 8.380 nan 0.000 0.589 267 K N -0.454 119.964 120.400 0.030 0.000 2.044 267 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 267 K C 1.506 178.102 176.600 -0.006 0.000 1.049 267 K CA 1.494 57.790 56.287 0.015 0.000 0.927 267 K CB -0.069 32.432 32.500 0.002 0.000 0.713 267 K HN 0.554 nan 8.250 nan 0.000 0.443 268 E N 0.246 120.433 120.200 -0.023 0.000 2.031 268 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 268 E C 2.096 178.669 176.600 -0.045 0.000 0.994 268 E CA 1.193 57.569 56.400 -0.040 0.000 0.800 268 E CB -0.096 29.575 29.700 -0.049 0.000 0.752 268 E HN 0.221 nan 8.360 nan 0.000 0.447 269 L N 1.091 122.271 121.223 -0.071 0.000 2.083 269 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 269 L C 2.197 179.076 176.870 0.014 0.000 1.083 269 L CA 1.235 56.003 54.840 -0.120 0.000 0.752 269 L CB -0.223 41.630 42.059 -0.343 0.000 0.899 269 L HN 0.128 nan 8.230 nan 0.000 0.433 270 I N -0.982 119.654 120.570 0.110 0.000 2.286 270 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 270 I C 2.395 178.627 176.117 0.193 0.000 1.115 270 I CA 1.225 62.655 61.300 0.216 0.000 1.392 270 I CB -0.970 37.152 38.000 0.203 0.000 1.065 270 I HN 0.390 nan 8.210 nan 0.000 0.418 271 G N 0.809 109.633 108.800 0.040 0.000 2.462 271 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 271 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 271 G C 1.649 176.566 174.900 0.029 0.000 1.121 271 G CA 0.471 45.518 45.100 -0.090 0.000 0.758 271 G HN 0.361 nan 8.290 nan 0.000 0.559 272 K N -0.402 120.036 120.400 0.063 0.000 2.486 272 K HA 0.215 4.535 4.320 -0.000 0.000 0.194 272 K C 0.557 177.223 176.600 0.109 0.000 1.033 272 K CA -0.266 56.056 56.287 0.058 0.000 1.004 272 K CB 0.039 32.539 32.500 0.000 0.000 0.798 272 K HN 0.273 nan 8.250 nan 0.000 0.495 273 L N 1.583 122.927 121.223 0.202 0.000 2.436 273 L HA 0.123 4.463 4.340 -0.000 0.000 0.265 273 L C 0.563 177.462 176.870 0.048 0.000 1.168 273 L CA -0.494 54.420 54.840 0.123 0.000 0.815 273 L CB 0.392 42.511 42.059 0.100 0.000 1.109 273 L HN 0.004 nan 8.230 nan 0.000 0.462 274 K N 2.390 122.760 120.400 -0.049 0.000 2.485 274 K HA -0.035 4.285 4.320 -0.000 0.000 0.277 274 K C 0.073 176.507 176.600 -0.277 0.000 0.990 274 K CA -0.065 56.163 56.287 -0.098 0.000 0.994 274 K CB 0.456 32.902 32.500 -0.090 0.000 0.906 274 K HN 0.417 nan 8.250 nan 0.000 0.488 275 K N 2.732 123.005 120.400 -0.210 0.000 2.447 275 K HA -0.023 4.297 4.320 -0.000 0.000 0.281 275 K C 0.448 176.926 176.600 -0.203 0.000 1.031 275 K CA 1.037 57.165 56.287 -0.265 0.000 1.019 275 K CB 0.013 32.504 32.500 -0.015 0.000 0.918 275 K HN 0.850 nan 8.250 nan 0.000 0.476 276 G N 2.450 111.115 108.800 -0.225 0.000 2.148 276 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 276 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 276 G C 0.127 174.936 174.900 -0.153 0.000 0.981 276 G CA 0.132 45.148 45.100 -0.140 0.000 0.670 276 G HN 0.665 nan 8.290 nan 0.000 0.528 277 V N 0.666 120.461 119.914 -0.198 0.000 2.928 277 V HA 0.385 4.505 4.120 -0.000 0.000 0.307 277 V C 0.829 176.844 176.094 -0.131 0.000 1.105 277 V CA 0.492 62.698 62.300 -0.158 0.000 1.223 277 V CB 0.744 32.474 31.823 -0.154 0.000 0.930 277 V HN 0.372 nan 8.190 nan 0.000 0.499 278 L N 7.429 128.576 121.223 -0.127 0.000 2.305 278 L HA 0.565 4.905 4.340 -0.000 0.000 0.284 278 L C -0.358 176.416 176.870 -0.159 0.000 1.013 278 L CA -0.324 54.438 54.840 -0.130 0.000 0.819 278 L CB 1.533 43.517 42.059 -0.126 0.000 1.227 278 L HN 0.502 nan 8.230 nan 0.000 0.417 279 I N 3.667 124.123 120.570 -0.189 0.000 2.378 279 I HA 0.395 4.565 4.170 -0.000 0.000 0.291 279 I C -0.491 175.365 176.117 -0.435 0.000 0.992 279 I CA -0.785 60.357 61.300 -0.263 0.000 1.154 279 I CB 2.233 40.121 38.000 -0.187 0.000 1.315 279 I HN 0.209 nan 8.210 nan 0.000 0.448 280 V N 5.314 124.993 119.914 -0.391 0.000 2.398 280 V HA 0.401 4.521 4.120 -0.000 0.000 0.286 280 V C -0.347 175.491 176.094 -0.427 0.000 1.026 280 V CA -0.555 61.485 62.300 -0.433 0.000 0.868 280 V CB 1.635 33.285 31.823 -0.288 0.000 0.982 280 V HN 0.713 nan 8.190 nan 0.000 0.443 281 N N 3.630 122.020 118.700 -0.516 0.000 2.648 281 N HA 0.323 5.063 4.740 -0.000 0.000 0.261 281 N C -0.272 175.090 175.510 -0.245 0.000 1.138 281 N CA -0.315 52.529 53.050 -0.342 0.000 0.804 281 N CB 0.842 39.151 38.487 -0.298 0.000 1.237 281 N HN 0.477 nan 8.380 nan 0.000 0.532 282 N N 1.258 119.859 118.700 -0.165 0.000 2.251 282 N HA 0.298 5.038 4.740 -0.000 0.000 0.217 282 N C 0.741 176.220 175.510 -0.051 0.000 1.124 282 N CA 0.052 53.041 53.050 -0.101 0.000 0.843 282 N CB 0.886 39.333 38.487 -0.066 0.000 1.024 282 N HN 0.588 nan 8.380 nan 0.000 0.501 283 A N 0.237 123.028 122.820 -0.048 0.000 1.974 283 A HA 0.349 4.669 4.320 -0.000 0.000 0.219 283 A C 0.606 178.195 177.584 0.009 0.000 1.479 283 A CA 0.912 52.945 52.037 -0.006 0.000 0.615 283 A CB 0.468 19.467 19.000 -0.003 0.000 1.130 283 A HN 0.036 nan 8.150 nan 0.000 0.497 284 R N -2.479 118.041 120.500 0.033 0.000 2.604 284 R HA 0.359 4.699 4.340 -0.000 0.000 0.270 284 R C 0.804 177.176 176.300 0.119 0.000 1.052 284 R CA 0.133 56.273 56.100 0.066 0.000 0.902 284 R CB 1.068 31.428 30.300 0.100 0.000 1.233 284 R HN 0.422 nan 8.270 nan 0.000 0.455 285 G N 0.709 109.601 108.800 0.154 0.000 2.408 285 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 285 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 285 G C 0.988 176.040 174.900 0.254 0.000 1.150 285 G CA 0.972 46.232 45.100 0.267 0.000 0.776 285 G HN 0.588 nan 8.290 nan 0.000 0.542 286 A N 0.339 123.256 122.820 0.162 0.000 2.209 286 A HA 0.271 4.591 4.320 -0.000 0.000 0.212 286 A C 2.161 179.840 177.584 0.158 0.000 1.158 286 A CA 0.272 52.389 52.037 0.132 0.000 0.742 286 A CB -0.298 18.759 19.000 0.095 0.000 0.790 286 A HN 0.393 nan 8.150 nan 0.000 0.472 287 I N -0.187 120.491 120.570 0.180 0.000 2.454 287 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 287 I C 0.535 176.816 176.117 0.273 0.000 1.156 287 I CA 0.578 62.001 61.300 0.205 0.000 1.433 287 I CB -0.223 37.886 38.000 0.183 0.000 1.082 287 I HN 0.299 nan 8.210 nan 0.000 0.432 288 M N 0.541 120.309 119.600 0.281 0.000 2.423 288 M HA 0.300 4.780 4.480 -0.000 0.000 0.335 288 M C -0.042 176.417 176.300 0.266 0.000 1.177 288 M CA -0.199 55.286 55.300 0.308 0.000 1.038 288 M CB 0.942 33.733 32.600 0.318 0.000 1.641 288 M HN -0.031 nan 8.290 nan 0.000 0.455 289 E N 1.657 121.989 120.200 0.221 0.000 2.259 289 E HA 0.128 4.478 4.350 -0.000 0.000 0.281 289 E C 0.868 177.587 176.600 0.198 0.000 1.037 289 E CA -0.171 56.322 56.400 0.155 0.000 0.854 289 E CB 1.796 31.559 29.700 0.105 0.000 1.051 289 E HN 0.523 nan 8.360 nan 0.000 0.409 290 R N 2.816 123.388 120.500 0.121 0.000 2.082 290 R HA -0.268 4.072 4.340 -0.000 0.000 0.234 290 R C 1.930 178.352 176.300 0.205 0.000 1.136 290 R CA 2.012 58.173 56.100 0.102 0.000 0.935 290 R CB -0.019 30.140 30.300 -0.235 0.000 0.842 290 R HN 0.424 nan 8.270 nan 0.000 0.430 291 Q N 0.138 119.988 119.800 0.083 0.000 2.167 291 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 291 Q C 1.754 177.808 176.000 0.091 0.000 0.970 291 Q CA 1.819 57.669 55.803 0.078 0.000 0.855 291 Q CB -0.188 28.568 28.738 0.030 0.000 0.911 291 Q HN 0.485 nan 8.270 nan 0.000 0.438 292 A N -0.699 122.177 122.820 0.093 0.000 1.933 292 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 292 A C 2.216 179.842 177.584 0.071 0.000 1.175 292 A CA 1.522 53.605 52.037 0.078 0.000 0.628 292 A CB -0.755 18.294 19.000 0.082 0.000 0.814 292 A HN 0.256 nan 8.150 nan 0.000 0.444 293 V N -0.223 119.737 119.914 0.077 0.000 2.261 293 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 293 V C 2.593 178.658 176.094 -0.049 0.000 1.047 293 V CA 2.094 64.354 62.300 -0.067 0.000 1.015 293 V CB -0.885 30.747 31.823 -0.317 0.000 0.642 293 V HN 0.383 nan 8.190 nan 0.000 0.446 294 V N 0.299 120.258 119.914 0.075 0.000 2.332 294 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 294 V C 2.260 178.386 176.094 0.054 0.000 1.055 294 V CA 2.282 64.633 62.300 0.084 0.000 1.038 294 V CB -0.770 31.145 31.823 0.154 0.000 0.651 294 V HN 0.564 nan 8.190 nan 0.000 0.450 295 D N 0.333 120.764 120.400 0.053 0.000 2.144 295 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 295 D C 2.189 178.514 176.300 0.042 0.000 0.978 295 D CA 1.608 55.634 54.000 0.043 0.000 0.833 295 D CB -0.237 40.584 40.800 0.035 0.000 0.961 295 D HN 0.466 nan 8.370 nan 0.000 0.470 296 A N 0.489 123.336 122.820 0.045 0.000 1.970 296 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 296 A C 2.451 180.073 177.584 0.063 0.000 1.170 296 A CA 0.583 52.666 52.037 0.076 0.000 0.645 296 A CB -0.417 18.649 19.000 0.111 0.000 0.816 296 A HN 0.110 nan 8.150 nan 0.000 0.447 297 V N 0.391 120.315 119.914 0.017 0.000 2.358 297 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 297 V C 2.323 178.437 176.094 0.033 0.000 1.047 297 V CA 2.238 64.542 62.300 0.007 0.000 1.035 297 V CB -0.785 31.017 31.823 -0.035 0.000 0.658 297 V HN 0.639 nan 8.190 nan 0.000 0.452 298 E N 0.623 120.848 120.200 0.041 0.000 2.204 298 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 298 E C 2.264 178.893 176.600 0.048 0.000 0.989 298 E CA 1.435 57.863 56.400 0.047 0.000 0.824 298 E CB -0.175 29.555 29.700 0.049 0.000 0.756 298 E HN 0.745 nan 8.360 nan 0.000 0.477 299 S N -0.855 114.876 115.700 0.053 0.000 2.496 299 S HA 0.120 4.590 4.470 -0.000 0.000 0.224 299 S C 1.707 176.349 174.600 0.070 0.000 0.996 299 S CA 0.539 58.774 58.200 0.057 0.000 0.927 299 S CB 0.499 63.734 63.200 0.058 0.000 0.774 299 S HN 0.357 nan 8.310 nan 0.000 0.524 300 G N 0.539 109.382 108.800 0.072 0.000 2.176 300 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.232 300 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.232 300 G C 0.489 175.430 174.900 0.067 0.000 0.986 300 G CA 0.614 45.751 45.100 0.061 0.000 0.643 300 G HN 0.651 nan 8.290 nan 0.000 0.522 301 H N 0.298 119.373 119.070 0.008 0.000 2.353 301 H HA 0.246 4.802 4.556 -0.000 0.000 0.300 301 H C 1.454 176.781 175.328 -0.001 0.000 1.090 301 H CA 1.592 57.643 56.048 0.005 0.000 1.327 301 H CB -0.004 29.762 29.762 0.007 0.000 1.383 301 H HN 0.460 nan 8.280 nan 0.000 0.508 302 I N 1.058 121.627 120.570 -0.003 0.000 2.312 302 I HA 0.095 4.265 4.170 -0.000 0.000 0.291 302 I C 1.519 177.609 176.117 -0.046 0.000 1.031 302 I CA 0.121 61.386 61.300 -0.058 0.000 1.293 302 I CB 1.758 39.747 38.000 -0.017 0.000 1.403 302 I HN 0.373 nan 8.210 nan 0.000 0.484 303 G N 4.797 113.554 108.800 -0.073 0.000 2.421 303 G HA2 0.220 4.180 3.960 -0.000 0.000 0.217 303 G HA3 0.220 4.180 3.960 -0.000 0.000 0.217 303 G C 0.635 175.514 174.900 -0.035 0.000 1.143 303 G CA 0.571 45.643 45.100 -0.047 0.000 0.784 303 G HN 0.761 nan 8.290 nan 0.000 0.541 304 G N -1.870 106.902 108.800 -0.046 0.000 2.733 304 G HA2 0.445 4.405 3.960 -0.000 0.000 0.297 304 G HA3 0.445 4.405 3.960 -0.000 0.000 0.297 304 G C -2.299 172.575 174.900 -0.044 0.000 1.452 304 G CA -0.676 44.399 45.100 -0.042 0.000 0.940 304 G HN 0.161 nan 8.290 nan 0.000 0.547 305 Y N 1.219 121.394 120.300 -0.208 0.000 2.391 305 Y HA 0.763 5.313 4.550 -0.000 0.000 0.341 305 Y C -0.400 175.322 175.900 -0.296 0.000 0.965 305 Y CA -0.803 57.116 58.100 -0.302 0.000 1.067 305 Y CB 2.524 40.723 38.460 -0.435 0.000 1.199 305 Y HN 0.702 nan 8.280 nan 0.000 0.450 306 S N 3.911 119.153 115.700 -0.764 0.000 2.575 306 S HA 0.902 5.372 4.470 -0.000 0.000 0.278 306 S C -0.821 173.374 174.600 -0.675 0.000 1.139 306 S CA 0.163 58.041 58.200 -0.537 0.000 0.954 306 S CB 1.053 64.064 63.200 -0.315 0.000 1.054 306 S HN 1.304 nan 8.310 nan 0.000 0.483 307 G N 2.077 110.585 108.800 -0.487 0.000 2.559 307 G HA2 0.430 4.390 3.960 -0.000 0.000 0.291 307 G HA3 0.430 4.390 3.960 -0.000 0.000 0.291 307 G C -0.828 173.934 174.900 -0.229 0.000 1.424 307 G CA -0.365 44.507 45.100 -0.379 0.000 0.786 307 G HN 0.610 nan 8.290 nan 0.000 0.485 308 D N -1.518 118.804 120.400 -0.129 0.000 2.369 308 D HA 0.091 4.731 4.640 -0.000 0.000 0.211 308 D C 1.019 177.348 176.300 0.048 0.000 1.077 308 D CA 0.422 54.444 54.000 0.037 0.000 0.842 308 D CB 0.398 41.274 40.800 0.126 0.000 0.947 308 D HN 0.680 nan 8.370 nan 0.000 0.509 309 V N -2.736 117.087 119.914 -0.151 0.000 2.581 309 V HA 0.843 4.963 4.120 -0.000 0.000 0.303 309 V C -1.301 174.800 176.094 0.012 0.000 1.041 309 V CA -0.939 61.310 62.300 -0.085 0.000 0.907 309 V CB 1.284 32.988 31.823 -0.197 0.000 0.994 309 V HN 0.022 nan 8.190 nan 0.000 0.442 310 W N 0.610 121.923 121.300 0.021 0.000 3.029 310 W HA 0.711 5.371 4.660 0.000 0.000 0.339 310 W C -1.113 175.391 176.519 -0.025 0.000 1.198 310 W CA -0.530 56.795 57.345 -0.033 0.000 1.148 310 W CB 1.403 30.769 29.460 -0.158 0.000 1.451 310 W HN 0.654 nan 8.180 nan 0.000 0.564 311 D N 1.907 122.400 120.400 0.156 0.000 2.408 311 D HA 0.478 5.118 4.640 -0.000 0.000 0.243 311 D C -2.254 174.127 176.300 0.136 0.000 1.075 311 D CA -1.890 52.179 54.000 0.115 0.000 0.832 311 D CB 1.851 42.663 40.800 0.020 0.000 1.162 311 D HN -0.082 nan 8.370 nan 0.000 0.515 312 P HA 0.321 nan 4.420 nan 0.000 0.297 312 P C -1.025 176.393 177.300 0.197 0.000 1.307 312 P CA -0.589 62.599 63.100 0.146 0.000 0.773 312 P CB 1.084 32.819 31.700 0.059 0.000 1.265 313 Q N -0.290 119.674 119.800 0.273 0.000 2.321 313 Q HA 0.425 4.765 4.340 -0.000 0.000 0.270 313 Q C -2.398 173.655 176.000 0.089 0.000 1.032 313 Q CA -2.029 53.863 55.803 0.148 0.000 0.784 313 Q CB 1.593 30.436 28.738 0.175 0.000 1.264 313 Q HN 0.291 nan 8.270 nan 0.000 0.448 314 P HA -0.053 nan 4.420 nan 0.000 0.265 314 P C -1.055 176.199 177.300 -0.076 0.000 1.193 314 P CA 0.191 63.288 63.100 -0.003 0.000 0.765 314 P CB 0.504 32.226 31.700 0.037 0.000 0.823 315 A N 5.523 128.170 122.820 -0.289 0.000 2.488 315 A HA 0.369 4.689 4.320 -0.000 0.000 0.249 315 A C -1.916 175.557 177.584 -0.186 0.000 1.083 315 A CA -0.889 50.953 52.037 -0.325 0.000 0.768 315 A CB -1.113 17.301 19.000 -0.978 0.000 1.017 315 A HN 0.410 nan 8.150 nan 0.000 0.496 316 P HA 0.110 nan 4.420 nan 0.000 0.271 316 P C 0.929 178.246 177.300 0.028 0.000 1.233 316 P CA -0.414 62.694 63.100 0.014 0.000 0.789 316 P CB 0.585 32.315 31.700 0.049 0.000 0.951 317 K N 1.595 122.026 120.400 0.051 0.000 2.113 317 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 317 K C 0.869 177.608 176.600 0.231 0.000 1.047 317 K CA 2.170 58.522 56.287 0.109 0.000 0.928 317 K CB -0.329 32.230 32.500 0.099 0.000 0.716 317 K HN 0.517 nan 8.250 nan 0.000 0.446 318 D N -0.986 119.533 120.400 0.200 0.000 2.328 318 D HA -0.103 4.537 4.640 -0.000 0.000 0.221 318 D C 0.170 176.653 176.300 0.305 0.000 1.072 318 D CA -0.165 53.997 54.000 0.271 0.000 0.850 318 D CB -0.525 40.354 40.800 0.132 0.000 0.922 318 D HN 0.193 nan 8.370 nan 0.000 0.516 319 H N 2.255 121.411 119.070 0.144 0.000 3.157 319 H HA -0.000 4.556 4.556 -0.000 0.000 0.299 319 H C -1.387 174.063 175.328 0.203 0.000 0.961 319 H CA -0.781 55.336 56.048 0.115 0.000 1.428 319 H CB 1.357 31.168 29.762 0.083 0.000 1.459 319 H HN 0.008 nan 8.280 nan 0.000 0.566 320 P HA -0.114 nan 4.420 nan 0.000 0.226 320 P C 1.199 178.799 177.300 0.500 0.000 1.153 320 P CA 0.667 63.983 63.100 0.360 0.000 0.777 320 P CB -0.013 31.805 31.700 0.196 0.000 0.794 321 W N 1.341 122.890 121.300 0.415 0.000 2.468 321 W HA 0.043 4.703 4.660 -0.000 0.000 0.262 321 W C 2.263 178.840 176.519 0.097 0.000 1.241 321 W CA 0.401 57.848 57.345 0.171 0.000 1.232 321 W CB -1.276 28.180 29.460 -0.006 0.000 1.124 321 W HN 0.068 nan 8.180 nan 0.000 0.597 322 R N -1.358 119.305 120.500 0.270 0.000 2.148 322 R HA -0.124 4.216 4.340 -0.000 0.000 0.227 322 R C 1.038 177.139 176.300 -0.331 0.000 1.103 322 R CA 1.357 57.347 56.100 -0.184 0.000 0.983 322 R CB -0.446 29.351 30.300 -0.838 0.000 0.874 322 R HN 0.283 nan 8.270 nan 0.000 0.451 323 Y N -0.314 120.134 120.300 0.248 0.000 2.527 323 Y HA 0.243 4.793 4.550 -0.000 0.000 0.247 323 Y C 0.736 176.715 175.900 0.132 0.000 1.138 323 Y CA -0.956 57.244 58.100 0.166 0.000 1.228 323 Y CB 0.317 38.863 38.460 0.143 0.000 1.252 323 Y HN -0.052 nan 8.280 nan 0.000 0.531 324 M N 0.746 120.485 119.600 0.232 0.000 2.240 324 M HA 0.425 4.905 4.480 -0.000 0.000 0.333 324 M C -2.665 173.700 176.300 0.108 0.000 1.110 324 M CA -1.849 53.544 55.300 0.155 0.000 1.173 324 M CB -0.093 32.573 32.600 0.111 0.000 1.458 324 M HN -0.233 nan 8.290 nan 0.000 0.458 325 P HA 0.047 nan 4.420 nan 0.000 0.265 325 P C -0.530 176.799 177.300 0.048 0.000 1.187 325 P CA 0.432 63.574 63.100 0.068 0.000 0.766 325 P CB 0.247 31.983 31.700 0.060 0.000 0.820 326 N N -1.542 117.185 118.700 0.045 0.000 2.863 326 N HA -0.189 4.551 4.740 -0.000 0.000 0.245 326 N C -0.028 175.491 175.510 0.015 0.000 1.001 326 N CA 1.016 54.081 53.050 0.025 0.000 0.901 326 N CB -1.458 37.037 38.487 0.013 0.000 1.124 326 N HN 0.632 nan 8.380 nan 0.000 0.582 327 Q N 0.255 120.072 119.800 0.027 0.000 2.364 327 Q HA 0.573 4.913 4.340 -0.000 0.000 0.267 327 Q C 0.160 176.168 176.000 0.012 0.000 0.999 327 Q CA 0.439 56.251 55.803 0.015 0.000 0.886 327 Q CB 0.901 29.656 28.738 0.028 0.000 1.243 327 Q HN 0.257 nan 8.270 nan 0.000 0.415 328 A N 4.477 127.281 122.820 -0.026 0.000 3.214 328 A HA 0.400 4.720 4.320 -0.000 0.000 0.304 328 A C -0.640 176.917 177.584 -0.045 0.000 0.969 328 A CA -0.789 51.237 52.037 -0.018 0.000 0.986 328 A CB 0.079 19.062 19.000 -0.030 0.000 1.073 328 A HN 0.674 nan 8.150 nan 0.000 0.487 329 M N 1.137 120.733 119.600 -0.006 0.000 2.227 329 M HA 0.455 4.935 4.480 -0.000 0.000 0.316 329 M C 0.686 177.058 176.300 0.120 0.000 1.144 329 M CA 0.260 55.562 55.300 0.005 0.000 1.121 329 M CB 0.828 33.436 32.600 0.014 0.000 1.440 329 M HN 0.642 nan 8.290 nan 0.000 0.473 330 T N -1.076 113.590 114.554 0.187 0.000 2.865 330 T HA 0.749 5.099 4.350 -0.000 0.000 0.294 330 T C -2.856 172.113 174.700 0.447 0.000 1.119 330 T CA -1.754 60.483 62.100 0.228 0.000 1.007 330 T CB 1.904 70.834 68.868 0.102 0.000 1.225 330 T HN 0.269 nan 8.240 nan 0.000 0.515 331 P HA 0.166 nan 4.420 nan 0.000 0.280 331 P C -0.579 176.930 177.300 0.348 0.000 1.278 331 P CA -0.390 62.869 63.100 0.264 0.000 0.787 331 P CB 0.040 31.758 31.700 0.030 0.000 1.163 332 H N -0.184 119.015 119.070 0.215 0.000 3.109 332 H HA 0.171 4.727 4.556 -0.000 0.000 0.266 332 H C 0.398 175.848 175.328 0.204 0.000 1.334 332 H CA -0.056 56.155 56.048 0.271 0.000 1.456 332 H CB -0.103 29.852 29.762 0.322 0.000 1.587 332 H HN 0.334 nan 8.280 nan 0.000 0.500 333 T N -1.054 113.693 114.554 0.321 0.000 2.954 333 T HA -0.076 4.274 4.350 -0.000 0.000 0.252 333 T C 2.129 176.848 174.700 0.033 0.000 0.983 333 T CA 0.295 62.423 62.100 0.048 0.000 0.941 333 T CB -0.101 68.752 68.868 -0.025 0.000 1.141 333 T HN 0.471 nan 8.240 nan 0.000 0.500 334 S N 1.941 117.739 115.700 0.163 0.000 2.382 334 S HA 0.077 4.547 4.470 -0.000 0.000 0.228 334 S C 2.224 176.886 174.600 0.102 0.000 1.027 334 S CA 1.141 59.401 58.200 0.100 0.000 0.991 334 S CB -1.286 61.972 63.200 0.097 0.000 0.823 334 S HN 0.635 nan 8.310 nan 0.000 0.469 335 G N -0.364 108.570 108.800 0.223 0.000 2.985 335 G HA2 0.206 4.166 3.960 -0.000 0.000 0.209 335 G HA3 0.206 4.166 3.960 -0.000 0.000 0.209 335 G C 0.732 175.659 174.900 0.047 0.000 1.165 335 G CA 0.666 45.928 45.100 0.270 0.000 0.776 335 G HN 0.546 nan 8.290 nan 0.000 0.541 336 T N 1.128 115.507 114.554 -0.292 0.000 3.415 336 T HA 0.283 4.633 4.350 -0.000 0.000 0.282 336 T C 0.951 175.533 174.700 -0.197 0.000 1.007 336 T CA 0.115 61.978 62.100 -0.394 0.000 0.958 336 T CB -0.651 67.585 68.868 -1.054 0.000 1.171 336 T HN 0.290 nan 8.240 nan 0.000 0.500 337 T N 0.231 114.707 114.554 -0.130 0.000 2.855 337 T HA 0.175 4.525 4.350 -0.000 0.000 0.314 337 T C 1.919 176.541 174.700 -0.130 0.000 1.077 337 T CA -0.786 61.238 62.100 -0.126 0.000 1.095 337 T CB 0.392 69.204 68.868 -0.093 0.000 0.987 337 T HN 0.078 nan 8.240 nan 0.000 0.546 338 I N 1.182 121.667 120.570 -0.141 0.000 2.185 338 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 338 I C 2.124 178.165 176.117 -0.127 0.000 1.088 338 I CA 1.688 62.913 61.300 -0.126 0.000 1.347 338 I CB -1.247 36.678 38.000 -0.125 0.000 1.041 338 I HN 0.731 nan 8.210 nan 0.000 0.415 339 D N 0.857 121.192 120.400 -0.108 0.000 2.117 339 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 339 D C 2.285 178.521 176.300 -0.108 0.000 0.982 339 D CA 1.487 55.430 54.000 -0.094 0.000 0.828 339 D CB -0.021 40.739 40.800 -0.067 0.000 0.967 339 D HN 0.322 nan 8.370 nan 0.000 0.464 340 A N 1.270 124.035 122.820 -0.093 0.000 1.883 340 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 340 A C 2.171 179.570 177.584 -0.309 0.000 1.186 340 A CA 1.653 53.651 52.037 -0.065 0.000 0.624 340 A CB -0.773 18.254 19.000 0.046 0.000 0.822 340 A HN 0.221 nan 8.150 nan 0.000 0.444 341 Q N -0.532 118.979 119.800 -0.482 0.000 2.096 341 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 341 Q C 2.100 177.705 176.000 -0.658 0.000 0.982 341 Q CA 1.598 56.852 55.803 -0.916 0.000 0.850 341 Q CB -0.392 28.072 28.738 -0.457 0.000 0.901 341 Q HN 0.688 nan 8.270 nan 0.000 0.422 342 L N 0.089 121.107 121.223 -0.341 0.000 2.042 342 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 342 L C 2.550 179.299 176.870 -0.202 0.000 1.076 342 L CA 1.403 56.106 54.840 -0.229 0.000 0.749 342 L CB -0.279 41.693 42.059 -0.146 0.000 0.893 342 L HN 0.166 nan 8.230 nan 0.000 0.432 343 R N -0.818 119.579 120.500 -0.172 0.000 2.062 343 R HA -0.175 4.165 4.340 -0.000 0.000 0.229 343 R C 2.410 178.695 176.300 -0.024 0.000 1.128 343 R CA 1.783 57.835 56.100 -0.080 0.000 0.960 343 R CB -0.584 29.699 30.300 -0.029 0.000 0.855 343 R HN 0.453 nan 8.270 nan 0.000 0.432 344 Y N -0.464 119.826 120.300 -0.017 0.000 2.421 344 Y HA 0.139 4.689 4.550 -0.000 0.000 0.292 344 Y C 2.029 177.902 175.900 -0.045 0.000 1.136 344 Y CA 0.221 58.315 58.100 -0.011 0.000 1.255 344 Y CB -0.683 37.808 38.460 0.052 0.000 0.991 344 Y HN -0.053 nan 8.280 nan 0.000 0.552 345 A N 1.478 124.279 122.820 -0.031 0.000 1.897 345 A HA 0.073 4.393 4.320 -0.000 0.000 0.215 345 A C 2.521 180.046 177.584 -0.099 0.000 1.181 345 A CA 1.703 53.707 52.037 -0.054 0.000 0.620 345 A CB -1.341 17.555 19.000 -0.174 0.000 0.821 345 A HN 0.619 nan 8.150 nan 0.000 0.443 346 A N -0.414 122.335 122.820 -0.118 0.000 1.933 346 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 346 A C 2.354 179.860 177.584 -0.129 0.000 1.175 346 A CA 1.902 53.855 52.037 -0.140 0.000 0.628 346 A CB -1.269 17.661 19.000 -0.117 0.000 0.814 346 A HN 0.695 nan 8.150 nan 0.000 0.444 347 G N -1.277 107.475 108.800 -0.080 0.000 2.408 347 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.217 347 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.217 347 G C 1.542 176.358 174.900 -0.141 0.000 1.150 347 G CA 1.570 46.616 45.100 -0.090 0.000 0.776 347 G HN 0.437 nan 8.290 nan 0.000 0.542 348 T N 0.357 114.850 114.554 -0.101 0.000 2.777 348 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 348 T C 2.204 176.795 174.700 -0.181 0.000 1.040 348 T CA 1.365 63.390 62.100 -0.125 0.000 1.141 348 T CB -0.107 68.754 68.868 -0.012 0.000 0.868 348 T HN 0.339 nan 8.240 nan 0.000 0.444 349 K N 0.968 121.236 120.400 -0.221 0.000 2.032 349 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 349 K C 2.100 178.522 176.600 -0.297 0.000 1.048 349 K CA 2.043 58.104 56.287 -0.378 0.000 0.927 349 K CB -0.275 31.893 32.500 -0.553 0.000 0.712 349 K HN 0.266 nan 8.250 nan 0.000 0.441 350 D N -0.012 120.254 120.400 -0.223 0.000 2.104 350 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 350 D C 2.028 178.252 176.300 -0.127 0.000 0.994 350 D CA 1.500 55.419 54.000 -0.135 0.000 0.830 350 D CB 0.100 40.834 40.800 -0.111 0.000 0.959 350 D HN 0.212 nan 8.370 nan 0.000 0.452 351 M N -0.391 119.046 119.600 -0.273 0.000 2.117 351 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 351 M C 2.198 178.344 176.300 -0.256 0.000 1.065 351 M CA 0.970 55.971 55.300 -0.498 0.000 1.114 351 M CB -0.186 31.818 32.600 -0.993 0.000 1.361 351 M HN 0.179 nan 8.290 nan 0.000 0.408 352 L N -0.299 120.790 121.223 -0.222 0.000 2.046 352 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 352 L C 2.458 179.136 176.870 -0.320 0.000 1.077 352 L CA 1.467 56.129 54.840 -0.297 0.000 0.747 352 L CB -0.586 41.423 42.059 -0.083 0.000 0.896 352 L HN 0.359 nan 8.230 nan 0.000 0.432 353 E N 0.155 120.433 120.200 0.131 0.000 2.077 353 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 353 E C 2.360 179.075 176.600 0.192 0.000 0.989 353 E CA 1.167 57.757 56.400 0.316 0.000 0.800 353 E CB 0.103 30.024 29.700 0.369 0.000 0.746 353 E HN 0.326 nan 8.360 nan 0.000 0.452 354 R N -0.718 119.884 120.500 0.170 0.000 2.081 354 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 354 R C 2.372 178.823 176.300 0.251 0.000 1.131 354 R CA 1.596 57.836 56.100 0.233 0.000 0.960 354 R CB -0.516 29.991 30.300 0.345 0.000 0.856 354 R HN 0.300 nan 8.270 nan 0.000 0.436 355 Y N 0.891 121.266 120.300 0.125 0.000 2.097 355 Y HA -0.247 4.303 4.550 -0.000 0.000 0.282 355 Y C 1.783 177.710 175.900 0.045 0.000 1.152 355 Y CA 1.570 59.693 58.100 0.038 0.000 1.136 355 Y CB -0.649 37.755 38.460 -0.094 0.000 0.975 355 Y HN -0.025 nan 8.280 nan 0.000 0.498 356 F N -0.026 119.953 119.950 0.047 0.000 2.250 356 F HA -0.217 4.310 4.527 -0.000 0.000 0.301 356 F C 2.049 177.813 175.800 -0.060 0.000 1.077 356 F CA 1.276 59.237 58.000 -0.065 0.000 1.348 356 F CB -0.236 38.796 39.000 0.053 0.000 1.040 356 F HN 0.005 nan 8.300 nan 0.000 0.509 357 K N -0.202 120.285 120.400 0.145 0.000 2.374 357 K HA 0.199 4.519 4.320 -0.000 0.000 0.196 357 K C 1.247 177.867 176.600 0.033 0.000 1.023 357 K CA 0.481 56.823 56.287 0.091 0.000 1.103 357 K CB 0.507 33.076 32.500 0.114 0.000 0.848 357 K HN 0.233 nan 8.250 nan 0.000 0.528 358 G N 2.096 110.889 108.800 -0.012 0.000 2.160 358 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.251 358 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.251 358 G C -0.489 174.411 174.900 0.001 0.000 1.008 358 G CA 0.218 45.299 45.100 -0.032 0.000 0.724 358 G HN 0.386 nan 8.290 nan 0.000 0.514 359 E N 0.475 120.701 120.200 0.042 0.000 2.242 359 E HA 0.432 4.782 4.350 -0.000 0.000 0.275 359 E C -0.560 176.069 176.600 0.048 0.000 1.002 359 E CA -1.014 55.421 56.400 0.058 0.000 0.841 359 E CB 0.920 30.677 29.700 0.094 0.000 1.109 359 E HN 0.179 nan 8.360 nan 0.000 0.394 360 D N 1.330 121.758 120.400 0.046 0.000 2.399 360 D HA 0.069 4.709 4.640 -0.000 0.000 0.241 360 D C -0.258 176.166 176.300 0.207 0.000 1.133 360 D CA 0.217 54.253 54.000 0.061 0.000 0.890 360 D CB 0.335 41.190 40.800 0.092 0.000 1.201 360 D HN 0.133 nan 8.370 nan 0.000 0.432 361 F N 1.174 121.236 119.950 0.187 0.000 2.440 361 F HA 0.252 4.779 4.527 -0.000 0.000 0.323 361 F C -1.385 174.447 175.800 0.053 0.000 1.192 361 F CA -2.570 55.406 58.000 -0.039 0.000 1.252 361 F CB -1.091 37.632 39.000 -0.461 0.000 1.214 361 F HN 0.063 nan 8.300 nan 0.000 0.578 362 P HA 0.044 nan 4.420 nan 0.000 0.265 362 P C 0.722 178.145 177.300 0.204 0.000 1.193 362 P CA 0.445 63.636 63.100 0.151 0.000 0.765 362 P CB 0.306 32.050 31.700 0.074 0.000 0.823 363 T N 1.732 116.425 114.554 0.232 0.000 2.685 363 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 363 T C 1.432 176.291 174.700 0.265 0.000 1.034 363 T CA 1.672 63.950 62.100 0.296 0.000 1.149 363 T CB -0.476 68.492 68.868 0.167 0.000 0.860 363 T HN 0.618 nan 8.240 nan 0.000 0.449 364 E N 1.551 121.843 120.200 0.154 0.000 2.401 364 E HA -0.142 4.208 4.350 -0.000 0.000 0.199 364 E C 1.293 177.951 176.600 0.097 0.000 1.023 364 E CA 0.877 57.347 56.400 0.118 0.000 0.859 364 E CB -0.426 29.322 29.700 0.079 0.000 0.780 364 E HN 0.383 nan 8.360 nan 0.000 0.523 365 N N 0.090 118.823 118.700 0.055 0.000 2.416 365 N HA -0.008 4.732 4.740 -0.000 0.000 0.177 365 N C -0.318 175.162 175.510 -0.049 0.000 1.036 365 N CA 0.277 53.299 53.050 -0.046 0.000 0.901 365 N CB -0.223 38.166 38.487 -0.164 0.000 0.976 365 N HN 0.218 nan 8.380 nan 0.000 0.444 366 Y N 0.429 120.801 120.300 0.120 0.000 2.442 366 Y HA 0.023 4.573 4.550 -0.000 0.000 0.330 366 Y C 1.517 177.445 175.900 0.046 0.000 1.129 366 Y CA -0.119 58.038 58.100 0.095 0.000 1.365 366 Y CB 0.730 39.234 38.460 0.074 0.000 1.233 366 Y HN -0.073 nan 8.280 nan 0.000 0.529 367 I N 2.010 122.670 120.570 0.149 0.000 3.565 367 I HA 0.087 4.257 4.170 -0.000 0.000 0.287 367 I C -0.002 176.105 176.117 -0.016 0.000 1.193 367 I CA 0.567 61.864 61.300 -0.005 0.000 1.402 367 I CB 0.070 37.965 38.000 -0.175 0.000 1.284 367 I HN 0.214 nan 8.210 nan 0.000 0.454 368 V N 2.240 122.175 119.914 0.036 0.000 2.525 368 V HA 0.448 4.568 4.120 -0.000 0.000 0.299 368 V C -0.345 175.796 176.094 0.077 0.000 1.034 368 V CA -0.824 61.489 62.300 0.023 0.000 0.863 368 V CB 2.737 34.550 31.823 -0.018 0.000 0.999 368 V HN 0.161 nan 8.190 nan 0.000 0.423 369 K N 2.853 123.256 120.400 0.005 0.000 2.513 369 K HA 0.401 4.721 4.320 -0.000 0.000 0.251 369 K C -0.790 175.754 176.600 -0.094 0.000 0.939 369 K CA -0.532 55.704 56.287 -0.086 0.000 0.793 369 K CB 1.556 33.839 32.500 -0.361 0.000 1.241 369 K HN 0.721 nan 8.250 nan 0.000 0.431 370 D N 3.002 123.355 120.400 -0.079 0.000 2.708 370 D HA -0.196 4.444 4.640 -0.000 0.000 0.236 370 D C 0.602 176.879 176.300 -0.038 0.000 1.146 370 D CA 1.798 55.762 54.000 -0.059 0.000 0.662 370 D CB -1.164 39.589 40.800 -0.079 0.000 1.059 370 D HN 1.099 nan 8.370 nan 0.000 0.428 371 G N -0.173 108.612 108.800 -0.025 0.000 2.155 371 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.257 371 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.257 371 G C -0.001 174.890 174.900 -0.015 0.000 0.983 371 G CA 0.703 45.793 45.100 -0.017 0.000 0.676 371 G HN 0.521 nan 8.290 nan 0.000 0.528 372 E N -0.272 119.916 120.200 -0.020 0.000 2.176 372 E HA 0.547 4.897 4.350 -0.000 0.000 0.267 372 E C 0.420 177.019 176.600 -0.003 0.000 0.893 372 E CA -0.876 55.517 56.400 -0.011 0.000 0.761 372 E CB 1.654 31.344 29.700 -0.017 0.000 1.133 372 E HN 0.243 nan 8.360 nan 0.000 0.409 373 L N 2.465 123.693 121.223 0.007 0.000 2.485 373 L HA 0.131 4.471 4.340 -0.000 0.000 0.275 373 L C 0.613 177.518 176.870 0.057 0.000 1.207 373 L CA -0.132 54.720 54.840 0.019 0.000 0.855 373 L CB 0.492 42.575 42.059 0.041 0.000 1.114 373 L HN 0.633 nan 8.230 nan 0.000 0.485 374 A N 5.618 128.489 122.820 0.084 0.000 2.466 374 A HA 0.213 4.533 4.320 -0.000 0.000 0.238 374 A C -1.498 176.184 177.584 0.163 0.000 1.074 374 A CA -0.972 51.145 52.037 0.134 0.000 0.774 374 A CB -0.163 18.945 19.000 0.181 0.000 1.015 374 A HN 0.648 nan 8.150 nan 0.000 0.498 375 P HA -0.260 nan 4.420 nan 0.000 0.216 375 P C 1.485 178.845 177.300 0.100 0.000 1.157 375 P CA 1.861 65.018 63.100 0.095 0.000 0.880 375 P CB -0.054 31.688 31.700 0.070 0.000 0.791 376 Q N -1.347 118.515 119.800 0.104 0.000 2.364 376 Q HA -0.180 4.160 4.340 -0.000 0.000 0.209 376 Q C 1.241 177.205 176.000 -0.060 0.000 0.977 376 Q CA 1.651 57.466 55.803 0.020 0.000 0.885 376 Q CB -1.128 27.605 28.738 -0.009 0.000 0.941 376 Q HN 0.349 nan 8.270 nan 0.000 0.464 377 Y N 0.754 121.080 120.300 0.043 0.000 2.500 377 Y HA 0.253 4.803 4.550 -0.000 0.000 0.270 377 Y C 1.221 177.143 175.900 0.038 0.000 1.134 377 Y CA -0.267 57.858 58.100 0.042 0.000 1.293 377 Y CB 0.545 39.029 38.460 0.038 0.000 1.063 377 Y HN 0.013 nan 8.280 nan 0.000 0.534 378 R N 0.000 120.593 120.500 0.155 0.000 2.786 378 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 378 R CA 0.000 56.161 56.100 0.102 0.000 0.921 378 R CB 0.000 30.348 30.300 0.080 0.000 0.687 378 R HN 0.000 nan 8.270 nan 0.000 0.535