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 2zj1_1_B DATA FIRST_RESID 11 DATA SEQUENCE LTPDVRNGID FKIADLSLAD FGRKELRIAE HEMPGLMSLR REYAEVQPLK DATA SEQUENCE GARISGSLHM TVQTAVLIET LTALGAEVRW ASCNIFSTQD HAAAAVVVGP DATA SEQUENCE HGTPDEPKGV PVFAWKGETL EEYWWAAEQM LTWPDPDKPA NMILDDGGDA DATA SEQUENCE TMLVLRGMQY EKAGVVPPAE EDDPAEWKVF LNLLRTRFET DKDKWTKIAE DATA SEQUENCE SVKGVTEETT TGVLRLYQFA AAGDLAFPAI NVNDSVTKSK FDNKYGTRHS DATA SEQUENCE LIDGINRGTD ALIGGKKVLI CGYGDVGKGC AEAMKGQGAR VSVTEIDPIN DATA SEQUENCE ALQAMMEGFD VVTVEEAIGD ADIVVTATGN KDIIMLEHIK AMKDHAILGN DATA SEQUENCE IGHFDNEIDM AGLERSGATR VNVKPQVDLW TFGDTGRSII VLSEGRLLNL DATA SEQUENCE GNATGHPSFV MSNSFANQTI AQIELWTKND EYDNEVYRLP KHLDEKVARI DATA SEQUENCE HVEALGGHLT KLTKEQAEYL GVDVEGPYKP DHYRY 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.627 176.870 -0.404 0.000 1.165 11 L CA 0.000 54.465 54.840 -0.625 0.000 0.813 11 L CB 0.000 41.253 42.059 -1.343 0.000 0.961 12 T N 0.096 114.553 114.554 -0.162 0.000 2.876 12 T HA 0.744 5.094 4.350 -0.001 0.000 0.289 12 T C -2.840 172.029 174.700 0.281 0.000 1.014 12 T CA -1.955 60.244 62.100 0.164 0.000 0.986 12 T CB 2.270 71.180 68.868 0.069 0.000 1.021 12 T HN 0.234 nan 8.240 nan 0.000 0.458 13 P HA 0.264 nan 4.420 nan 0.000 0.270 13 P C -0.733 176.565 177.300 -0.004 0.000 1.223 13 P CA -0.148 63.155 63.100 0.339 0.000 0.785 13 P CB 0.493 32.412 31.700 0.364 0.000 0.923 14 D N 0.191 120.414 120.400 -0.295 0.000 2.225 14 D HA 0.338 4.978 4.640 -0.001 0.000 0.249 14 D C -0.375 175.608 176.300 -0.528 0.000 1.052 14 D CA -0.102 53.593 54.000 -0.509 0.000 0.909 14 D CB 1.486 41.782 40.800 -0.840 0.000 1.186 14 D HN 0.017 nan 8.370 nan 0.000 0.431 15 V N 2.780 122.566 119.914 -0.213 0.000 2.577 15 V HA 0.457 4.577 4.120 -0.001 0.000 0.303 15 V C -0.221 175.947 176.094 0.124 0.000 1.042 15 V CA -0.782 61.520 62.300 0.003 0.000 0.872 15 V CB 2.006 33.846 31.823 0.027 0.000 0.998 15 V HN 0.386 nan 8.190 nan 0.000 0.423 16 R N 3.527 124.201 120.500 0.289 0.000 2.533 16 R HA 0.416 4.756 4.340 -0.001 0.000 0.288 16 R C 0.068 176.447 176.300 0.131 0.000 1.039 16 R CA -0.856 55.374 56.100 0.218 0.000 0.909 16 R CB 1.207 31.682 30.300 0.291 0.000 1.195 16 R HN 0.820 nan 8.270 nan 0.000 0.438 17 N N 1.215 119.959 118.700 0.075 0.000 2.708 17 N HA -0.239 4.501 4.740 -0.001 0.000 0.249 17 N C 0.643 176.180 175.510 0.045 0.000 1.097 17 N CA 1.952 55.029 53.050 0.044 0.000 0.710 17 N CB -0.849 37.651 38.487 0.021 0.000 1.032 17 N HN 1.083 nan 8.380 nan 0.000 0.551 18 G N -1.694 107.142 108.800 0.060 0.000 2.159 18 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.256 18 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.256 18 G C 0.145 175.084 174.900 0.065 0.000 0.977 18 G CA 0.375 45.508 45.100 0.054 0.000 0.652 18 G HN 0.556 nan 8.290 nan 0.000 0.531 19 I N 2.569 123.196 120.570 0.095 0.000 2.312 19 I HA 0.308 4.478 4.170 -0.001 0.000 0.290 19 I C -0.191 176.081 176.117 0.258 0.000 1.008 19 I CA -1.007 60.362 61.300 0.115 0.000 1.226 19 I CB 1.159 39.178 38.000 0.033 0.000 1.371 19 I HN 0.219 nan 8.210 nan 0.000 0.468 20 D N 7.706 128.214 120.400 0.180 0.000 2.304 20 D HA 0.472 5.112 4.640 -0.001 0.000 0.250 20 D C -0.596 175.753 176.300 0.082 0.000 1.107 20 D CA -0.088 54.014 54.000 0.170 0.000 0.885 20 D CB 1.338 42.255 40.800 0.194 0.000 1.192 20 D HN 0.423 nan 8.370 nan 0.000 0.436 21 F N -1.644 118.113 119.950 -0.323 0.000 2.773 21 F HA 0.685 5.211 4.527 -0.001 0.000 0.314 21 F C -1.462 174.095 175.800 -0.404 0.000 1.160 21 F CA -1.364 56.155 58.000 -0.802 0.000 0.920 21 F CB 1.657 40.397 39.000 -0.434 0.000 1.323 21 F HN 0.224 nan 8.300 nan 0.000 0.457 22 K N 2.380 122.653 120.400 -0.213 0.000 2.652 22 K HA 0.713 5.033 4.320 -0.001 0.000 0.249 22 K C -1.717 175.079 176.600 0.327 0.000 0.986 22 K CA -0.354 56.029 56.287 0.160 0.000 0.867 22 K CB 1.532 34.404 32.500 0.620 0.000 1.201 22 K HN 0.898 nan 8.250 nan 0.000 0.450 23 I N -0.087 120.621 120.570 0.230 0.000 3.195 23 I HA 0.725 4.894 4.170 -0.001 0.000 0.313 23 I C 0.543 176.717 176.117 0.095 0.000 1.237 23 I CA -1.026 60.442 61.300 0.279 0.000 0.963 23 I CB 2.001 40.160 38.000 0.265 0.000 1.278 23 I HN 0.424 nan 8.210 nan 0.000 0.460 24 A N 1.121 124.026 122.820 0.143 0.000 1.858 24 A HA -0.039 4.280 4.320 -0.001 0.000 0.216 24 A C 0.608 178.219 177.584 0.044 0.000 1.190 24 A CA 2.331 54.398 52.037 0.050 0.000 0.617 24 A CB -0.482 18.608 19.000 0.149 0.000 0.827 24 A HN 0.883 nan 8.150 nan 0.000 0.443 25 D N -2.606 117.848 120.400 0.090 0.000 2.333 25 D HA 0.247 4.886 4.640 -0.001 0.000 0.225 25 D C 0.077 176.425 176.300 0.080 0.000 1.345 25 D CA -0.548 53.499 54.000 0.078 0.000 0.971 25 D CB 0.493 41.339 40.800 0.075 0.000 1.451 25 D HN -0.062 nan 8.370 nan 0.000 0.561 26 L N 3.152 124.420 121.223 0.075 0.000 2.191 26 L HA -0.059 4.281 4.340 -0.001 0.000 0.212 26 L C 2.073 178.954 176.870 0.019 0.000 1.103 26 L CA 2.301 57.155 54.840 0.023 0.000 0.769 26 L CB -0.577 41.496 42.059 0.024 0.000 0.908 26 L HN 0.533 nan 8.230 nan 0.000 0.438 27 S N -1.796 113.929 115.700 0.042 0.000 2.555 27 S HA -0.084 4.385 4.470 -0.001 0.000 0.230 27 S C 1.718 176.362 174.600 0.074 0.000 0.978 27 S CA 0.506 58.733 58.200 0.046 0.000 0.934 27 S CB -0.718 62.507 63.200 0.042 0.000 0.766 27 S HN 0.507 nan 8.310 nan 0.000 0.533 28 L N 0.713 121.996 121.223 0.099 0.000 2.610 28 L HA 0.192 4.531 4.340 -0.001 0.000 0.232 28 L C 2.760 179.718 176.870 0.147 0.000 1.149 28 L CA 0.452 55.394 54.840 0.171 0.000 0.872 28 L CB -0.690 41.497 42.059 0.214 0.000 0.992 28 L HN 0.447 nan 8.230 nan 0.000 0.447 29 A N 0.288 123.146 122.820 0.064 0.000 1.902 29 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 29 A C 1.902 179.506 177.584 0.034 0.000 1.181 29 A CA 1.880 53.921 52.037 0.008 0.000 0.623 29 A CB -0.311 18.667 19.000 -0.037 0.000 0.818 29 A HN 0.307 nan 8.150 nan 0.000 0.443 30 D N -1.058 119.386 120.400 0.074 0.000 2.097 30 D HA -0.131 4.509 4.640 -0.001 0.000 0.195 30 D C 1.598 178.001 176.300 0.172 0.000 0.989 30 D CA 1.265 55.320 54.000 0.092 0.000 0.827 30 D CB -0.458 40.393 40.800 0.085 0.000 0.966 30 D HN 0.413 nan 8.370 nan 0.000 0.456 31 F N 1.640 121.623 119.950 0.055 0.000 2.102 31 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 31 F C 2.203 178.107 175.800 0.174 0.000 1.105 31 F CA 1.803 59.859 58.000 0.093 0.000 1.239 31 F CB -0.852 38.195 39.000 0.078 0.000 0.991 31 F HN -0.035 nan 8.300 nan 0.000 0.474 32 G N 0.229 109.020 108.800 -0.015 0.000 2.491 32 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.218 32 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.218 32 G C 1.806 176.608 174.900 -0.164 0.000 1.180 32 G CA 1.076 46.038 45.100 -0.230 0.000 0.774 32 G HN 0.322 nan 8.290 nan 0.000 0.562 33 R N 0.903 121.360 120.500 -0.072 0.000 2.091 33 R HA -0.001 4.338 4.340 -0.001 0.000 0.238 33 R C 2.479 178.767 176.300 -0.021 0.000 1.136 33 R CA 1.725 57.789 56.100 -0.061 0.000 0.959 33 R CB -0.590 29.684 30.300 -0.044 0.000 0.856 33 R HN 0.397 nan 8.270 nan 0.000 0.437 34 K N 0.068 120.492 120.400 0.039 0.000 2.063 34 K HA -0.144 4.175 4.320 -0.001 0.000 0.208 34 K C 2.025 178.660 176.600 0.058 0.000 1.048 34 K CA 1.899 58.232 56.287 0.078 0.000 0.928 34 K CB -0.091 32.506 32.500 0.162 0.000 0.713 34 K HN 0.328 nan 8.250 nan 0.000 0.442 35 E N 0.277 120.487 120.200 0.016 0.000 2.158 35 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 35 E C 1.955 178.542 176.600 -0.023 0.000 0.982 35 E CA 0.576 56.980 56.400 0.008 0.000 0.823 35 E CB 0.061 29.750 29.700 -0.019 0.000 0.766 35 E HN 0.104 nan 8.360 nan 0.000 0.468 36 L N 1.028 122.206 121.223 -0.076 0.000 2.017 36 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 36 L C 2.353 179.208 176.870 -0.025 0.000 1.073 36 L CA 1.642 56.437 54.840 -0.076 0.000 0.745 36 L CB -0.426 41.561 42.059 -0.119 0.000 0.894 36 L HN -0.007 nan 8.230 nan 0.000 0.432 37 R N -0.668 119.832 120.500 -0.000 0.000 2.081 37 R HA -0.134 4.206 4.340 -0.001 0.000 0.235 37 R C 2.309 178.700 176.300 0.152 0.000 1.131 37 R CA 1.473 57.602 56.100 0.047 0.000 0.960 37 R CB -0.577 29.759 30.300 0.059 0.000 0.856 37 R HN 0.313 nan 8.270 nan 0.000 0.436 38 I N 0.792 121.443 120.570 0.135 0.000 2.163 38 I HA -0.298 3.872 4.170 -0.001 0.000 0.243 38 I C 2.654 178.869 176.117 0.164 0.000 1.085 38 I CA 1.454 62.852 61.300 0.164 0.000 1.347 38 I CB -0.422 37.638 38.000 0.100 0.000 1.044 38 I HN 0.196 nan 8.210 nan 0.000 0.408 39 A N 0.258 123.133 122.820 0.092 0.000 1.940 39 A HA -0.253 4.066 4.320 -0.001 0.000 0.219 39 A C 2.180 179.799 177.584 0.058 0.000 1.176 39 A CA 1.826 53.906 52.037 0.072 0.000 0.631 39 A CB -0.668 18.351 19.000 0.032 0.000 0.814 39 A HN 0.473 nan 8.150 nan 0.000 0.446 40 E N -1.049 119.159 120.200 0.012 0.000 2.130 40 E HA -0.261 4.088 4.350 -0.001 0.000 0.196 40 E C 1.776 178.311 176.600 -0.109 0.000 0.998 40 E CA 1.657 58.013 56.400 -0.074 0.000 0.806 40 E CB -0.314 29.296 29.700 -0.149 0.000 0.738 40 E HN 0.856 nan 8.360 nan 0.000 0.459 41 H N 0.062 119.153 119.070 0.036 0.000 2.423 41 H HA -0.013 4.542 4.556 -0.000 0.000 0.297 41 H C 1.465 176.852 175.328 0.098 0.000 1.075 41 H CA 0.951 57.030 56.048 0.053 0.000 1.342 41 H CB 0.284 30.073 29.762 0.047 0.000 1.395 41 H HN 0.008 nan 8.280 nan 0.000 0.530 42 E N 0.045 120.377 120.200 0.220 0.000 2.465 42 E HA 0.086 4.435 4.350 -0.001 0.000 0.191 42 E C -0.151 176.563 176.600 0.189 0.000 1.053 42 E CA 0.261 56.831 56.400 0.282 0.000 0.869 42 E CB 0.399 30.241 29.700 0.236 0.000 0.977 42 E HN 0.544 nan 8.360 nan 0.000 0.483 43 M N 1.386 121.023 119.600 0.062 0.000 2.746 43 M HA 0.191 4.670 4.480 -0.001 0.000 0.209 43 M C -1.948 174.303 176.300 -0.082 0.000 1.077 43 M CA -1.448 53.835 55.300 -0.029 0.000 0.695 43 M CB 1.488 34.092 32.600 0.007 0.000 1.416 43 M HN -0.239 nan 8.290 nan 0.000 0.459 44 P HA -0.056 nan 4.420 nan 0.000 0.226 44 P C 1.332 178.479 177.300 -0.255 0.000 1.153 44 P CA 1.230 64.211 63.100 -0.197 0.000 0.777 44 P CB 0.184 31.755 31.700 -0.215 0.000 0.794 45 G N 0.574 109.195 108.800 -0.299 0.000 2.402 45 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.216 45 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.216 45 G C 1.637 176.522 174.900 -0.025 0.000 1.162 45 G CA 0.328 45.343 45.100 -0.141 0.000 0.777 45 G HN 0.218 nan 8.290 nan 0.000 0.539 46 L N 0.002 121.223 121.223 -0.004 0.000 2.072 46 L HA 0.007 4.347 4.340 -0.001 0.000 0.205 46 L C 3.011 179.873 176.870 -0.013 0.000 1.079 46 L CA 0.549 55.395 54.840 0.010 0.000 0.752 46 L CB -0.289 41.785 42.059 0.024 0.000 0.906 46 L HN 0.133 nan 8.230 nan 0.000 0.436 47 M N -0.811 118.765 119.600 -0.039 0.000 2.175 47 M HA -0.143 4.337 4.480 -0.001 0.000 0.264 47 M C 2.581 178.864 176.300 -0.028 0.000 1.063 47 M CA 1.401 56.675 55.300 -0.045 0.000 1.119 47 M CB -1.353 31.204 32.600 -0.072 0.000 1.377 47 M HN 0.196 nan 8.290 nan 0.000 0.415 48 S N 0.614 116.294 115.700 -0.034 0.000 2.382 48 S HA -0.067 4.403 4.470 -0.001 0.000 0.228 48 S C 1.993 176.614 174.600 0.035 0.000 1.027 48 S CA 0.928 59.118 58.200 -0.016 0.000 0.991 48 S CB -0.118 63.057 63.200 -0.041 0.000 0.823 48 S HN 0.469 nan 8.310 nan 0.000 0.469 49 L N 0.629 121.892 121.223 0.067 0.000 2.093 49 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 49 L C 2.932 179.906 176.870 0.173 0.000 1.085 49 L CA 1.172 56.112 54.840 0.167 0.000 0.755 49 L CB -0.447 41.688 42.059 0.127 0.000 0.904 49 L HN 0.261 nan 8.230 nan 0.000 0.435 50 R N -0.157 120.389 120.500 0.077 0.000 2.083 50 R HA -0.149 4.190 4.340 -0.001 0.000 0.237 50 R C 2.490 178.825 176.300 0.059 0.000 1.137 50 R CA 1.480 57.613 56.100 0.055 0.000 0.951 50 R CB -0.284 30.021 30.300 0.009 0.000 0.851 50 R HN 0.328 nan 8.270 nan 0.000 0.434 51 R N 0.294 120.813 120.500 0.033 0.000 2.073 51 R HA -0.157 4.183 4.340 -0.001 0.000 0.234 51 R C 2.335 178.636 176.300 0.002 0.000 1.134 51 R CA 1.479 57.586 56.100 0.012 0.000 0.952 51 R CB -0.282 30.015 30.300 -0.005 0.000 0.850 51 R HN 0.372 nan 8.270 nan 0.000 0.433 52 E N -0.084 120.114 120.200 -0.004 0.000 2.077 52 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 52 E C 0.744 177.217 176.600 -0.212 0.000 0.989 52 E CA 1.245 57.565 56.400 -0.132 0.000 0.800 52 E CB 0.135 29.722 29.700 -0.188 0.000 0.746 52 E HN 0.387 nan 8.360 nan 0.000 0.452 53 Y N -0.966 119.338 120.300 0.007 0.000 2.467 53 Y HA 0.356 4.906 4.550 -0.001 0.000 0.250 53 Y C 1.690 177.596 175.900 0.009 0.000 1.155 53 Y CA 0.157 58.264 58.100 0.013 0.000 1.249 53 Y CB 0.433 38.903 38.460 0.017 0.000 1.146 53 Y HN 0.127 nan 8.280 nan 0.000 0.524 54 A N 0.515 123.404 122.820 0.116 0.000 1.903 54 A HA -0.273 4.047 4.320 -0.001 0.000 0.219 54 A C 2.120 179.739 177.584 0.058 0.000 1.191 54 A CA 2.321 54.400 52.037 0.070 0.000 0.638 54 A CB -0.384 18.638 19.000 0.037 0.000 0.823 54 A HN 0.478 nan 8.150 nan 0.000 0.451 55 E N -0.695 119.530 120.200 0.041 0.000 2.072 55 E HA -0.081 4.269 4.350 -0.001 0.000 0.190 55 E C 2.089 178.721 176.600 0.053 0.000 0.982 55 E CA 1.147 57.567 56.400 0.034 0.000 0.803 55 E CB -0.204 29.504 29.700 0.013 0.000 0.755 55 E HN 0.422 nan 8.360 nan 0.000 0.453 56 V N 0.946 120.907 119.914 0.079 0.000 2.343 56 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 56 V C 0.642 176.807 176.094 0.118 0.000 1.051 56 V CA 1.046 63.413 62.300 0.112 0.000 1.036 56 V CB -0.451 31.485 31.823 0.189 0.000 0.654 56 V HN 0.377 nan 8.190 nan 0.000 0.451 57 Q N -1.581 118.292 119.800 0.122 0.000 2.447 57 Q HA -0.204 4.136 4.340 -0.001 0.000 0.348 57 Q C -1.324 174.738 176.000 0.103 0.000 1.421 57 Q CA 1.045 56.903 55.803 0.092 0.000 0.978 57 Q CB -1.589 27.187 28.738 0.064 0.000 1.191 57 Q HN 0.522 nan 8.270 nan 0.000 0.371 58 P HA -0.146 nan 4.420 nan 0.000 0.220 58 P C 1.163 178.564 177.300 0.168 0.000 1.148 58 P CA 1.045 64.222 63.100 0.130 0.000 0.803 58 P CB 0.149 31.869 31.700 0.033 0.000 0.782 59 L N -1.213 120.028 121.223 0.029 0.000 2.628 59 L HA 0.186 4.526 4.340 -0.001 0.000 0.229 59 L C 1.307 178.070 176.870 -0.178 0.000 1.137 59 L CA -0.376 54.373 54.840 -0.152 0.000 0.909 59 L CB -0.382 41.542 42.059 -0.225 0.000 1.137 59 L HN -0.086 nan 8.230 nan 0.000 0.470 60 K N 1.106 121.512 120.400 0.011 0.000 2.491 60 K HA 0.094 4.414 4.320 -0.001 0.000 0.279 60 K C 1.181 177.843 176.600 0.103 0.000 1.026 60 K CA 1.117 57.425 56.287 0.035 0.000 1.070 60 K CB 0.258 32.805 32.500 0.078 0.000 0.887 60 K HN 0.261 nan 8.250 nan 0.000 0.481 61 G N 2.078 110.879 108.800 0.001 0.000 2.258 61 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.233 61 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.233 61 G C 0.099 174.846 174.900 -0.255 0.000 1.006 61 G CA -0.005 45.133 45.100 0.064 0.000 0.620 61 G HN 0.941 nan 8.290 nan 0.000 0.511 62 A N 0.488 122.833 122.820 -0.793 0.000 2.425 62 A HA 0.700 5.020 4.320 -0.001 0.000 0.249 62 A C 0.651 177.815 177.584 -0.699 0.000 1.084 62 A CA 0.327 51.580 52.037 -1.307 0.000 0.781 62 A CB 0.218 18.363 19.000 -1.425 0.000 1.019 62 A HN 0.493 nan 8.150 nan 0.000 0.490 63 R N 2.408 122.468 120.500 -0.734 0.000 2.363 63 R HA 0.348 4.687 4.340 -0.001 0.000 0.297 63 R C -1.345 174.623 176.300 -0.553 0.000 1.208 63 R CA -0.101 55.467 56.100 -0.887 0.000 1.121 63 R CB 0.930 30.297 30.300 -1.555 0.000 1.124 63 R HN 0.701 nan 8.270 nan 0.000 0.561 64 I N 1.485 122.007 120.570 -0.079 0.000 2.312 64 I HA 0.133 4.302 4.170 -0.001 0.000 0.291 64 I C 0.334 176.622 176.117 0.284 0.000 1.031 64 I CA -0.152 61.169 61.300 0.034 0.000 1.293 64 I CB 1.713 39.722 38.000 0.014 0.000 1.403 64 I HN 0.316 nan 8.210 nan 0.000 0.484 65 S N 4.754 120.551 115.700 0.162 0.000 2.416 65 S HA 0.425 4.894 4.470 -0.001 0.000 0.287 65 S C 0.361 174.795 174.600 -0.276 0.000 1.139 65 S CA -0.569 57.671 58.200 0.067 0.000 1.058 65 S CB 0.733 64.000 63.200 0.111 0.000 0.967 65 S HN 0.797 nan 8.310 nan 0.000 0.495 66 G N 1.740 110.150 108.800 -0.650 0.000 2.368 66 G HA2 0.483 4.443 3.960 -0.001 0.000 0.320 66 G HA3 0.483 4.443 3.960 -0.001 0.000 0.320 66 G C -0.658 173.354 174.900 -1.480 0.000 1.158 66 G CA -0.458 43.726 45.100 -1.526 0.000 0.912 66 G HN 0.554 nan 8.290 nan 0.000 0.456 67 S N 2.482 117.646 115.700 -0.892 0.000 2.601 67 S HA 0.636 5.106 4.470 -0.001 0.000 0.312 67 S C -1.026 173.340 174.600 -0.390 0.000 1.107 67 S CA -0.655 57.198 58.200 -0.578 0.000 1.129 67 S CB 0.371 63.370 63.200 -0.335 0.000 0.982 67 S HN 0.586 nan 8.310 nan 0.000 0.469 68 L N 6.027 127.091 121.223 -0.265 0.000 2.847 68 L HA 0.323 4.663 4.340 -0.001 0.000 0.261 68 L C -0.926 176.049 176.870 0.175 0.000 0.926 68 L CA -0.131 54.707 54.840 -0.004 0.000 1.010 68 L CB 1.078 43.283 42.059 0.243 0.000 1.538 68 L HN 0.792 nan 8.230 nan 0.000 0.465 69 H N 4.502 123.692 119.070 0.201 0.000 3.103 69 H HA -0.182 4.373 4.556 -0.000 0.000 0.245 69 H C 0.597 176.043 175.328 0.197 0.000 0.777 69 H CA 0.538 56.688 56.048 0.171 0.000 1.463 69 H CB 0.092 29.931 29.762 0.128 0.000 1.332 69 H HN 0.523 nan 8.280 nan 0.000 0.489 70 M N 4.710 124.467 119.600 0.262 0.000 3.237 70 M HA 0.057 4.537 4.480 -0.001 0.000 0.266 70 M C -0.004 176.348 176.300 0.087 0.000 1.456 70 M CA -0.257 55.142 55.300 0.165 0.000 1.593 70 M CB -0.642 32.057 32.600 0.165 0.000 1.129 70 M HN 0.600 nan 8.290 nan 0.000 0.547 71 T N -1.152 113.446 114.554 0.074 0.000 2.938 71 T HA 0.492 4.842 4.350 -0.001 0.000 0.285 71 T C 1.150 175.818 174.700 -0.054 0.000 1.028 71 T CA -0.952 61.170 62.100 0.037 0.000 1.005 71 T CB 0.889 69.814 68.868 0.096 0.000 1.157 71 T HN 0.123 nan 8.240 nan 0.000 0.550 72 V N 1.304 121.163 119.914 -0.092 0.000 2.317 72 V HA -0.228 3.892 4.120 -0.001 0.000 0.251 72 V C 2.877 178.945 176.094 -0.043 0.000 1.065 72 V CA 2.126 64.349 62.300 -0.128 0.000 1.049 72 V CB -1.122 30.637 31.823 -0.107 0.000 0.651 72 V HN 0.808 nan 8.190 nan 0.000 0.450 73 Q N -0.409 119.426 119.800 0.059 0.000 2.079 73 Q HA -0.131 4.209 4.340 -0.001 0.000 0.200 73 Q C 2.338 178.486 176.000 0.245 0.000 0.974 73 Q CA 2.120 58.031 55.803 0.179 0.000 0.840 73 Q CB -0.869 27.998 28.738 0.216 0.000 0.898 73 Q HN 0.619 nan 8.270 nan 0.000 0.430 74 T N 0.510 115.157 114.554 0.154 0.000 2.867 74 T HA -0.102 4.248 4.350 -0.001 0.000 0.268 74 T C 1.807 176.270 174.700 -0.395 0.000 1.057 74 T CA 1.079 63.076 62.100 -0.172 0.000 1.136 74 T CB -0.356 68.463 68.868 -0.082 0.000 0.874 74 T HN 0.409 nan 8.240 nan 0.000 0.466 75 A N 1.056 123.703 122.820 -0.288 0.000 1.902 75 A HA -0.062 4.258 4.320 -0.001 0.000 0.217 75 A C 2.537 179.956 177.584 -0.276 0.000 1.181 75 A CA 1.405 53.246 52.037 -0.326 0.000 0.623 75 A CB -0.921 17.925 19.000 -0.257 0.000 0.818 75 A HN 0.382 nan 8.150 nan 0.000 0.443 76 V N -0.141 119.667 119.914 -0.177 0.000 2.427 76 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 76 V C 2.453 178.452 176.094 -0.157 0.000 1.051 76 V CA 1.724 63.947 62.300 -0.127 0.000 1.048 76 V CB -0.919 30.878 31.823 -0.044 0.000 0.666 76 V HN 0.604 nan 8.190 nan 0.000 0.456 77 L N 0.535 121.624 121.223 -0.224 0.000 1.970 77 L HA -0.160 4.179 4.340 -0.001 0.000 0.212 77 L C 2.247 178.894 176.870 -0.371 0.000 1.071 77 L CA 1.998 56.634 54.840 -0.341 0.000 0.751 77 L CB -0.641 40.969 42.059 -0.747 0.000 0.889 77 L HN 0.217 nan 8.230 nan 0.000 0.432 78 I N -0.242 120.002 120.570 -0.544 0.000 2.151 78 I HA -0.335 3.835 4.170 -0.001 0.000 0.243 78 I C 2.296 178.234 176.117 -0.300 0.000 1.080 78 I CA 1.869 62.842 61.300 -0.545 0.000 1.339 78 I CB -0.481 37.068 38.000 -0.752 0.000 1.039 78 I HN 0.416 nan 8.210 nan 0.000 0.409 79 E N -0.222 119.824 120.200 -0.256 0.000 2.427 79 E HA -0.097 4.253 4.350 -0.001 0.000 0.196 79 E C 1.936 178.459 176.600 -0.128 0.000 1.028 79 E CA 0.897 57.193 56.400 -0.174 0.000 0.864 79 E CB 0.059 29.659 29.700 -0.167 0.000 0.813 79 E HN 0.497 nan 8.360 nan 0.000 0.514 80 T N 1.069 115.544 114.554 -0.132 0.000 2.809 80 T HA -0.017 4.332 4.350 -0.001 0.000 0.260 80 T C 1.930 176.577 174.700 -0.087 0.000 1.039 80 T CA 0.509 62.554 62.100 -0.090 0.000 1.141 80 T CB -0.030 68.791 68.868 -0.078 0.000 0.869 80 T HN 0.090 nan 8.240 nan 0.000 0.437 81 L N 1.530 122.686 121.223 -0.112 0.000 2.083 81 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 81 L C 3.058 179.879 176.870 -0.082 0.000 1.083 81 L CA 1.640 56.422 54.840 -0.097 0.000 0.752 81 L CB -1.246 40.762 42.059 -0.084 0.000 0.899 81 L HN 0.450 nan 8.230 nan 0.000 0.433 82 T N -2.719 111.788 114.554 -0.080 0.000 2.857 82 T HA -0.035 4.315 4.350 -0.001 0.000 0.266 82 T C 1.998 176.674 174.700 -0.041 0.000 1.048 82 T CA 0.737 62.804 62.100 -0.056 0.000 1.139 82 T CB -0.355 68.478 68.868 -0.057 0.000 0.874 82 T HN 0.270 nan 8.240 nan 0.000 0.455 83 A N 1.431 124.225 122.820 -0.042 0.000 2.024 83 A HA 0.173 4.493 4.320 -0.001 0.000 0.220 83 A C 2.271 179.853 177.584 -0.004 0.000 1.164 83 A CA 1.154 53.180 52.037 -0.019 0.000 0.643 83 A CB -0.787 18.201 19.000 -0.020 0.000 0.806 83 A HN 0.601 nan 8.150 nan 0.000 0.451 84 L N -2.227 118.985 121.223 -0.019 0.000 2.607 84 L HA 0.272 4.612 4.340 -0.001 0.000 0.228 84 L C 1.547 178.405 176.870 -0.020 0.000 1.123 84 L CA 0.605 55.440 54.840 -0.009 0.000 0.890 84 L CB 0.150 42.184 42.059 -0.043 0.000 1.103 84 L HN 0.582 nan 8.230 nan 0.000 0.468 85 G N -0.180 108.601 108.800 -0.032 0.000 2.205 85 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.180 85 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.180 85 G C 0.355 175.215 174.900 -0.068 0.000 1.004 85 G CA -0.135 44.947 45.100 -0.031 0.000 0.670 85 G HN 0.374 nan 8.290 nan 0.000 0.496 86 A N 0.190 122.949 122.820 -0.100 0.000 2.332 86 A HA 0.689 5.008 4.320 -0.001 0.000 0.258 86 A C 0.304 177.862 177.584 -0.042 0.000 1.087 86 A CA 0.100 52.055 52.037 -0.137 0.000 0.802 86 A CB 0.412 19.310 19.000 -0.170 0.000 1.042 86 A HN 0.412 nan 8.150 nan 0.000 0.489 87 E N -0.547 119.651 120.200 -0.003 0.000 2.242 87 E HA 0.478 4.827 4.350 -0.001 0.000 0.275 87 E C -0.598 176.208 176.600 0.344 0.000 1.002 87 E CA -0.572 55.939 56.400 0.186 0.000 0.841 87 E CB 1.821 31.710 29.700 0.315 0.000 1.109 87 E HN 0.640 nan 8.360 nan 0.000 0.394 88 V N 0.293 120.414 119.914 0.345 0.000 3.007 88 V HA 0.679 4.799 4.120 -0.001 0.000 0.311 88 V C -1.172 174.986 176.094 0.106 0.000 1.120 88 V CA -0.906 61.607 62.300 0.356 0.000 0.980 88 V CB 2.044 34.046 31.823 0.299 0.000 1.033 88 V HN 0.629 nan 8.190 nan 0.000 0.429 89 R N 3.683 124.227 120.500 0.074 0.000 2.621 89 R HA 0.568 4.907 4.340 -0.001 0.000 0.292 89 R C -1.552 174.843 176.300 0.158 0.000 0.969 89 R CA -0.444 55.611 56.100 -0.075 0.000 0.887 89 R CB 2.320 32.315 30.300 -0.508 0.000 1.180 89 R HN 0.864 nan 8.270 nan 0.000 0.450 90 W N 1.306 122.599 121.300 -0.013 0.000 2.864 90 W HA 0.734 5.394 4.660 -0.001 0.000 0.343 90 W C -1.265 175.288 176.519 0.057 0.000 1.109 90 W CA -0.436 56.905 57.345 -0.006 0.000 1.192 90 W CB 2.344 31.776 29.460 -0.047 0.000 1.426 90 W HN 0.658 nan 8.180 nan 0.000 0.529 91 A N 1.879 124.639 122.820 -0.101 0.000 2.587 91 A HA 0.533 4.853 4.320 -0.001 0.000 0.293 91 A C -1.082 176.451 177.584 -0.085 0.000 1.087 91 A CA -0.472 51.544 52.037 -0.036 0.000 0.692 91 A CB 1.731 20.612 19.000 -0.199 0.000 1.291 91 A HN 0.369 nan 8.150 nan 0.000 0.407 92 S N -0.867 114.811 115.700 -0.037 0.000 2.601 92 S HA 0.309 4.779 4.470 -0.001 0.000 0.271 92 S C 0.982 175.516 174.600 -0.111 0.000 1.305 92 S CA 0.025 58.217 58.200 -0.013 0.000 1.022 92 S CB 0.342 63.579 63.200 0.061 0.000 0.940 92 S HN 1.720 nan 8.310 nan 0.000 0.525 93 C N 3.338 122.554 119.300 -0.140 0.000 2.693 93 C HA 0.526 4.986 4.460 -0.001 0.000 0.286 93 C C 0.375 175.390 174.990 0.041 0.000 1.277 93 C CA -0.949 58.034 59.018 -0.058 0.000 1.705 93 C CB -2.047 25.575 27.740 -0.197 0.000 1.879 93 C HN 0.729 nan 8.230 nan 0.000 0.607 94 N N 0.880 119.641 118.700 0.102 0.000 2.308 94 N HA 0.287 5.027 4.740 -0.001 0.000 0.283 94 N C 0.650 176.145 175.510 -0.025 0.000 1.105 94 N CA -0.368 52.676 53.050 -0.009 0.000 0.840 94 N CB 1.648 40.204 38.487 0.114 0.000 1.633 94 N HN 0.377 nan 8.380 nan 0.000 0.476 95 I N -0.670 119.737 120.570 -0.273 0.000 2.567 95 I HA -0.041 4.128 4.170 -0.001 0.000 0.257 95 I C 0.096 176.050 176.117 -0.271 0.000 1.184 95 I CA 1.378 62.459 61.300 -0.366 0.000 1.451 95 I CB -0.233 37.381 38.000 -0.644 0.000 1.089 95 I HN 0.213 nan 8.210 nan 0.000 0.441 96 F N 1.076 121.039 119.950 0.022 0.000 2.706 96 F HA 0.248 4.775 4.527 -0.000 0.000 0.313 96 F C 2.202 178.037 175.800 0.058 0.000 1.096 96 F CA -0.222 57.802 58.000 0.039 0.000 1.219 96 F CB -0.303 38.717 39.000 0.033 0.000 1.051 96 F HN 0.143 nan 8.300 nan 0.000 0.568 97 S N -2.219 113.615 115.700 0.224 0.000 2.535 97 S HA 0.088 4.557 4.470 -0.001 0.000 0.214 97 S C 0.892 175.602 174.600 0.183 0.000 0.980 97 S CA -0.048 58.266 58.200 0.190 0.000 0.907 97 S CB -0.641 62.707 63.200 0.247 0.000 0.790 97 S HN 0.046 nan 8.310 nan 0.000 0.510 98 T N 3.238 117.901 114.554 0.181 0.000 2.919 98 T HA 0.213 4.563 4.350 -0.001 0.000 0.302 98 T C -0.350 174.453 174.700 0.173 0.000 1.031 98 T CA 0.155 62.356 62.100 0.168 0.000 1.127 98 T CB 0.724 69.690 68.868 0.163 0.000 0.952 98 T HN 0.397 nan 8.240 nan 0.000 0.540 99 Q N 2.145 122.035 119.800 0.149 0.000 2.400 99 Q HA 0.190 4.530 4.340 -0.001 0.000 0.255 99 Q C 0.297 176.410 176.000 0.188 0.000 1.008 99 Q CA -0.680 55.238 55.803 0.193 0.000 0.841 99 Q CB 1.215 30.052 28.738 0.164 0.000 1.220 99 Q HN 0.543 nan 8.270 nan 0.000 0.474 100 D N 1.363 121.915 120.400 0.254 0.000 2.149 100 D HA -0.214 4.426 4.640 -0.001 0.000 0.198 100 D C 1.734 178.142 176.300 0.179 0.000 0.990 100 D CA 1.418 55.551 54.000 0.221 0.000 0.839 100 D CB 0.139 41.079 40.800 0.233 0.000 0.948 100 D HN 0.680 nan 8.370 nan 0.000 0.460 101 H N 0.533 119.608 119.070 0.009 0.000 2.387 101 H HA 0.095 4.650 4.556 -0.000 0.000 0.299 101 H C 1.813 177.062 175.328 -0.131 0.000 1.090 101 H CA 1.495 57.493 56.048 -0.082 0.000 1.332 101 H CB -0.630 28.955 29.762 -0.295 0.000 1.386 101 H HN 0.077 nan 8.280 nan 0.000 0.516 102 A N 1.719 124.187 122.820 -0.587 0.000 1.897 102 A HA 0.183 4.502 4.320 -0.001 0.000 0.215 102 A C 2.804 180.248 177.584 -0.234 0.000 1.181 102 A CA 1.672 53.423 52.037 -0.476 0.000 0.620 102 A CB -0.979 17.755 19.000 -0.443 0.000 0.821 102 A HN 0.603 nan 8.150 nan 0.000 0.443 103 A N 0.102 122.849 122.820 -0.121 0.000 1.908 103 A HA 0.121 4.441 4.320 -0.001 0.000 0.218 103 A C 2.492 180.023 177.584 -0.088 0.000 1.181 103 A CA 2.170 54.172 52.037 -0.058 0.000 0.627 103 A CB -1.001 18.035 19.000 0.061 0.000 0.818 103 A HN 1.017 nan 8.150 nan 0.000 0.445 104 A N -0.170 122.610 122.820 -0.067 0.000 1.877 104 A HA 0.168 4.488 4.320 -0.001 0.000 0.216 104 A C 2.507 180.007 177.584 -0.140 0.000 1.186 104 A CA 2.076 54.060 52.037 -0.087 0.000 0.620 104 A CB -1.053 17.938 19.000 -0.015 0.000 0.822 104 A HN 1.117 nan 8.150 nan 0.000 0.443 105 A N -0.709 122.023 122.820 -0.146 0.000 1.972 105 A HA 0.022 4.341 4.320 -0.001 0.000 0.219 105 A C 2.190 179.663 177.584 -0.186 0.000 1.169 105 A CA 1.772 53.712 52.037 -0.161 0.000 0.635 105 A CB -0.723 18.170 19.000 -0.179 0.000 0.810 105 A HN 0.372 nan 8.150 nan 0.000 0.446 106 V N -0.682 119.109 119.914 -0.205 0.000 2.379 106 V HA -0.173 3.947 4.120 -0.001 0.000 0.245 106 V C 2.550 178.512 176.094 -0.219 0.000 1.044 106 V CA 1.742 63.910 62.300 -0.220 0.000 1.036 106 V CB -0.489 31.183 31.823 -0.250 0.000 0.664 106 V HN 0.368 nan 8.190 nan 0.000 0.453 107 V N -0.298 119.465 119.914 -0.251 0.000 2.343 107 V HA -0.206 3.914 4.120 -0.001 0.000 0.247 107 V C 2.367 178.283 176.094 -0.298 0.000 1.051 107 V CA 1.900 63.996 62.300 -0.340 0.000 1.036 107 V CB -0.329 31.155 31.823 -0.564 0.000 0.654 107 V HN 0.408 nan 8.190 nan 0.000 0.451 108 V N -0.627 119.141 119.914 -0.244 0.000 2.488 108 V HA 0.269 4.389 4.120 -0.001 0.000 0.246 108 V C 1.268 177.276 176.094 -0.142 0.000 1.046 108 V CA 1.108 63.298 62.300 -0.183 0.000 1.053 108 V CB -0.946 30.790 31.823 -0.144 0.000 0.679 108 V HN 0.798 nan 8.190 nan 0.000 0.458 109 G N 0.449 109.157 108.800 -0.153 0.000 2.814 109 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.677 109 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.677 109 G C -1.439 173.364 174.900 -0.162 0.000 1.429 109 G CA -0.124 44.890 45.100 -0.143 0.000 0.868 109 G HN 0.227 nan 8.290 nan 0.000 0.553 110 P HA -0.063 nan 4.420 nan 0.000 0.221 110 P C 0.749 177.752 177.300 -0.495 0.000 1.150 110 P CA 1.614 64.490 63.100 -0.374 0.000 0.800 110 P CB 0.042 31.453 31.700 -0.481 0.000 0.787 111 H N -1.401 117.644 119.070 -0.042 0.000 2.592 111 H HA 0.372 4.928 4.556 -0.001 0.000 0.279 111 H C 1.239 176.547 175.328 -0.034 0.000 1.089 111 H CA -0.018 56.010 56.048 -0.032 0.000 1.150 111 H CB 0.436 30.183 29.762 -0.026 0.000 1.575 111 H HN 0.097 nan 8.280 nan 0.000 0.547 112 G N 0.832 109.637 108.800 0.008 0.000 2.535 112 G HA2 0.428 4.388 3.960 -0.001 0.000 0.303 112 G HA3 0.428 4.388 3.960 -0.001 0.000 0.303 112 G C 0.056 174.944 174.900 -0.020 0.000 1.237 112 G CA -0.183 44.911 45.100 -0.010 0.000 0.986 112 G HN 0.234 nan 8.290 nan 0.000 0.494 113 T N -3.135 111.404 114.554 -0.025 0.000 2.887 113 T HA 0.573 4.922 4.350 -0.001 0.000 0.292 113 T C -2.195 172.480 174.700 -0.041 0.000 1.087 113 T CA -1.475 60.610 62.100 -0.024 0.000 1.009 113 T CB 2.167 71.031 68.868 -0.007 0.000 1.203 113 T HN 0.139 nan 8.240 nan 0.000 0.518 114 P HA -0.062 nan 4.420 nan 0.000 0.216 114 P C 0.830 178.117 177.300 -0.022 0.000 1.150 114 P CA 1.142 64.219 63.100 -0.039 0.000 0.843 114 P CB -0.012 31.680 31.700 -0.014 0.000 0.787 115 D N -1.120 119.276 120.400 -0.006 0.000 2.183 115 D HA -0.089 4.551 4.640 -0.001 0.000 0.203 115 D C 0.778 177.079 176.300 0.001 0.000 0.969 115 D CA 1.137 55.139 54.000 0.005 0.000 0.842 115 D CB -0.159 40.645 40.800 0.008 0.000 0.957 115 D HN 0.218 nan 8.370 nan 0.000 0.484 116 E N 0.599 120.793 120.200 -0.010 0.000 3.303 116 E HA 0.207 4.556 4.350 -0.001 0.000 0.215 116 E C -2.660 173.923 176.600 -0.029 0.000 1.181 116 E CA -2.324 54.069 56.400 -0.010 0.000 0.998 116 E CB 1.036 30.735 29.700 -0.001 0.000 1.312 116 E HN -0.055 nan 8.360 nan 0.000 0.412 117 P HA 0.187 nan 4.420 nan 0.000 0.275 117 P C -0.519 176.738 177.300 -0.071 0.000 1.227 117 P CA -0.257 62.786 63.100 -0.095 0.000 0.781 117 P CB 1.288 32.880 31.700 -0.180 0.000 0.906 118 K N 1.072 121.428 120.400 -0.074 0.000 2.564 118 K HA 0.305 4.625 4.320 -0.001 0.000 0.201 118 K C 1.006 177.568 176.600 -0.064 0.000 1.086 118 K CA -0.303 55.956 56.287 -0.046 0.000 1.062 118 K CB 1.037 33.530 32.500 -0.011 0.000 0.849 118 K HN 0.529 nan 8.250 nan 0.000 0.529 119 G N 0.727 109.463 108.800 -0.106 0.000 2.945 119 G HA2 0.465 4.425 3.960 -0.001 0.000 0.156 119 G HA3 0.465 4.425 3.960 -0.001 0.000 0.156 119 G C -0.350 174.484 174.900 -0.110 0.000 1.375 119 G CA -0.195 44.833 45.100 -0.121 0.000 1.039 119 G HN 0.034 nan 8.290 nan 0.000 0.586 120 V N -3.052 116.783 119.914 -0.132 0.000 2.960 120 V HA 0.712 4.832 4.120 -0.001 0.000 0.315 120 V C -2.890 173.132 176.094 -0.120 0.000 1.087 120 V CA -2.671 59.568 62.300 -0.101 0.000 0.982 120 V CB 1.889 33.667 31.823 -0.075 0.000 1.039 120 V HN 0.392 nan 8.190 nan 0.000 0.437 121 P HA 0.281 nan 4.420 nan 0.000 0.261 121 P C -0.783 176.441 177.300 -0.127 0.000 1.203 121 P CA 0.354 63.381 63.100 -0.122 0.000 0.767 121 P CB 0.617 32.308 31.700 -0.015 0.000 0.785 122 V N 5.302 125.045 119.914 -0.285 0.000 2.604 122 V HA 0.449 4.568 4.120 -0.001 0.000 0.305 122 V C -0.421 175.425 176.094 -0.413 0.000 1.043 122 V CA -0.365 61.852 62.300 -0.138 0.000 0.888 122 V CB 1.563 33.364 31.823 -0.038 0.000 0.995 122 V HN 0.294 nan 8.190 nan 0.000 0.429 123 F N 3.246 123.298 119.950 0.170 0.000 2.564 123 F HA 0.819 5.345 4.527 -0.001 0.000 0.368 123 F C 0.294 176.219 175.800 0.208 0.000 1.127 123 F CA -0.293 57.840 58.000 0.222 0.000 1.170 123 F CB 1.594 40.600 39.000 0.010 0.000 1.397 123 F HN 0.632 nan 8.300 nan 0.000 0.493 124 A N 2.818 125.908 122.820 0.451 0.000 2.573 124 A HA 0.686 5.006 4.320 -0.001 0.000 0.299 124 A C -2.012 175.858 177.584 0.478 0.000 1.060 124 A CA -0.828 51.354 52.037 0.241 0.000 0.736 124 A CB 0.425 19.525 19.000 0.166 0.000 1.280 124 A HN 0.754 nan 8.150 nan 0.000 0.401 125 W N 1.247 122.649 121.300 0.170 0.000 3.137 125 W HA 0.741 5.400 4.660 -0.001 0.000 0.324 125 W C -0.725 175.903 176.519 0.182 0.000 1.253 125 W CA -0.895 56.546 57.345 0.161 0.000 1.183 125 W CB 1.084 30.634 29.460 0.151 0.000 1.424 125 W HN 0.750 nan 8.180 nan 0.000 0.566 126 K N 1.514 122.121 120.400 0.344 0.000 2.368 126 K HA 0.450 4.769 4.320 -0.001 0.000 0.282 126 K C 0.847 177.663 176.600 0.360 0.000 1.035 126 K CA 0.856 57.313 56.287 0.283 0.000 0.973 126 K CB 0.390 33.046 32.500 0.260 0.000 0.957 126 K HN 1.368 nan 8.250 nan 0.000 0.474 127 G N 2.855 111.898 108.800 0.404 0.000 2.165 127 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.226 127 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.226 127 G C -0.418 174.679 174.900 0.328 0.000 1.035 127 G CA -0.114 45.275 45.100 0.482 0.000 0.744 127 G HN 0.699 nan 8.290 nan 0.000 0.501 128 E N 0.728 120.924 120.200 -0.007 0.000 2.408 128 E HA 0.449 4.799 4.350 -0.001 0.000 0.259 128 E C 1.352 177.990 176.600 0.063 0.000 1.110 128 E CA 0.534 56.863 56.400 -0.119 0.000 0.929 128 E CB 0.565 29.986 29.700 -0.465 0.000 0.971 128 E HN 0.477 nan 8.360 nan 0.000 0.438 129 T N -1.042 113.604 114.554 0.152 0.000 2.847 129 T HA 0.207 4.557 4.350 -0.001 0.000 0.279 129 T C 1.338 176.110 174.700 0.121 0.000 0.984 129 T CA -0.731 61.451 62.100 0.137 0.000 0.988 129 T CB 0.547 69.516 68.868 0.170 0.000 1.040 129 T HN 0.392 nan 8.240 nan 0.000 0.528 130 L N 0.210 121.508 121.223 0.124 0.000 2.042 130 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 130 L C 2.900 179.972 176.870 0.337 0.000 1.076 130 L CA 1.647 56.602 54.840 0.192 0.000 0.749 130 L CB -0.654 41.514 42.059 0.183 0.000 0.893 130 L HN 0.745 nan 8.230 nan 0.000 0.432 131 E N 0.149 120.512 120.200 0.271 0.000 2.051 131 E HA -0.223 4.127 4.350 -0.001 0.000 0.192 131 E C 2.093 178.888 176.600 0.326 0.000 0.991 131 E CA 1.224 57.795 56.400 0.285 0.000 0.799 131 E CB -0.081 29.732 29.700 0.188 0.000 0.748 131 E HN 0.439 nan 8.360 nan 0.000 0.449 132 E N -0.599 119.767 120.200 0.277 0.000 2.106 132 E HA -0.188 4.162 4.350 -0.001 0.000 0.192 132 E C 1.793 178.543 176.600 0.251 0.000 0.984 132 E CA 0.782 57.375 56.400 0.322 0.000 0.806 132 E CB -0.181 29.738 29.700 0.365 0.000 0.750 132 E HN 0.328 nan 8.360 nan 0.000 0.458 133 Y N -0.398 119.900 120.300 -0.003 0.000 2.128 133 Y HA -0.276 4.273 4.550 -0.001 0.000 0.284 133 Y C 1.564 177.352 175.900 -0.186 0.000 1.154 133 Y CA 1.769 59.745 58.100 -0.206 0.000 1.149 133 Y CB -0.286 37.970 38.460 -0.340 0.000 0.976 133 Y HN 0.077 nan 8.280 nan 0.000 0.505 134 W N -1.349 120.079 121.300 0.213 0.000 2.476 134 W HA -0.081 4.579 4.660 -0.000 0.000 0.281 134 W C 2.218 178.789 176.519 0.087 0.000 1.230 134 W CA 0.750 58.174 57.345 0.131 0.000 1.287 134 W CB -0.894 28.703 29.460 0.228 0.000 1.108 134 W HN 0.303 nan 8.180 nan 0.000 0.567 135 W N 1.322 122.725 121.300 0.171 0.000 2.338 135 W HA -0.263 4.397 4.660 -0.001 0.000 0.304 135 W C 2.287 178.795 176.519 -0.017 0.000 1.212 135 W CA 3.105 60.506 57.345 0.094 0.000 1.264 135 W CB -0.632 28.902 29.460 0.122 0.000 1.142 135 W HN -0.144 nan 8.180 nan 0.000 0.512 136 A N 0.770 123.601 122.820 0.018 0.000 1.898 136 A HA -0.042 4.277 4.320 -0.001 0.000 0.216 136 A C 2.122 179.447 177.584 -0.432 0.000 1.181 136 A CA 2.522 54.398 52.037 -0.269 0.000 0.620 136 A CB -1.586 17.413 19.000 -0.003 0.000 0.819 136 A HN 0.464 nan 8.150 nan 0.000 0.442 137 A N -0.210 122.365 122.820 -0.410 0.000 1.883 137 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 137 A C 2.029 179.505 177.584 -0.180 0.000 1.186 137 A CA 2.026 53.866 52.037 -0.329 0.000 0.624 137 A CB -0.631 18.163 19.000 -0.343 0.000 0.822 137 A HN 0.692 nan 8.150 nan 0.000 0.444 138 E N -0.861 119.272 120.200 -0.112 0.000 2.058 138 E HA -0.258 4.091 4.350 -0.001 0.000 0.194 138 E C 2.199 178.602 176.600 -0.327 0.000 0.997 138 E CA 1.375 57.752 56.400 -0.039 0.000 0.801 138 E CB -0.149 29.565 29.700 0.023 0.000 0.746 138 E HN 0.552 nan 8.360 nan 0.000 0.450 139 Q N 0.169 119.527 119.800 -0.737 0.000 2.077 139 Q HA -0.233 4.106 4.340 -0.001 0.000 0.206 139 Q C 2.154 177.612 176.000 -0.903 0.000 0.989 139 Q CA 1.689 56.809 55.803 -1.137 0.000 0.853 139 Q CB -0.561 26.859 28.738 -2.197 0.000 0.907 139 Q HN 0.462 nan 8.270 nan 0.000 0.418 140 M N -0.104 119.099 119.600 -0.661 0.000 2.213 140 M HA -0.117 4.362 4.480 -0.001 0.000 0.263 140 M C 1.686 177.848 176.300 -0.229 0.000 1.062 140 M CA 1.383 56.477 55.300 -0.344 0.000 1.105 140 M CB -0.258 32.208 32.600 -0.224 0.000 1.385 140 M HN 0.189 nan 8.290 nan 0.000 0.417 141 L N -0.020 121.124 121.223 -0.132 0.000 2.509 141 L HA 0.026 4.366 4.340 -0.001 0.000 0.222 141 L C 0.220 177.145 176.870 0.092 0.000 1.123 141 L CA 0.257 55.136 54.840 0.064 0.000 0.856 141 L CB -0.012 42.174 42.059 0.212 0.000 0.985 141 L HN 0.123 nan 8.230 nan 0.000 0.456 142 T N -0.030 114.471 114.554 -0.089 0.000 2.910 142 T HA 0.155 4.505 4.350 -0.001 0.000 0.323 142 T C -0.685 173.959 174.700 -0.093 0.000 1.091 142 T CA -0.427 61.613 62.100 -0.100 0.000 0.960 142 T CB -0.073 68.669 68.868 -0.210 0.000 1.024 142 T HN 0.021 nan 8.240 nan 0.000 0.509 143 W N 4.402 125.637 121.300 -0.108 0.000 2.202 143 W HA 0.281 4.940 4.660 -0.001 0.000 0.332 143 W C -0.923 175.558 176.519 -0.062 0.000 1.263 143 W CA -1.863 55.441 57.345 -0.068 0.000 1.223 143 W CB 0.271 29.697 29.460 -0.057 0.000 1.128 143 W HN 0.415 nan 8.180 nan 0.000 0.573 144 P HA -0.170 nan 4.420 nan 0.000 0.217 144 P C 0.113 177.456 177.300 0.072 0.000 1.150 144 P CA 1.440 64.579 63.100 0.065 0.000 0.832 144 P CB 0.234 31.968 31.700 0.057 0.000 0.787 145 D N 0.669 121.135 120.400 0.110 0.000 2.313 145 D HA 0.092 4.731 4.640 -0.001 0.000 0.239 145 D C -1.390 174.936 176.300 0.043 0.000 1.142 145 D CA -2.654 51.384 54.000 0.064 0.000 0.847 145 D CB 1.123 41.961 40.800 0.064 0.000 1.082 145 D HN -0.015 nan 8.370 nan 0.000 0.480 146 P HA -0.114 nan 4.420 nan 0.000 0.221 146 P C 0.281 177.573 177.300 -0.013 0.000 1.145 146 P CA 0.776 63.870 63.100 -0.010 0.000 0.795 146 P CB 0.524 32.211 31.700 -0.022 0.000 0.775 147 D N -0.418 119.979 120.400 -0.005 0.000 2.348 147 D HA 0.028 4.668 4.640 -0.001 0.000 0.211 147 D C 0.645 176.934 176.300 -0.019 0.000 0.998 147 D CA 0.780 54.774 54.000 -0.011 0.000 0.873 147 D CB 0.060 40.857 40.800 -0.005 0.000 0.925 147 D HN 0.256 nan 8.370 nan 0.000 0.524 148 K N 1.159 121.549 120.400 -0.015 0.000 2.762 148 K HA 0.261 4.580 4.320 -0.001 0.000 0.180 148 K C -2.657 173.891 176.600 -0.088 0.000 1.067 148 K CA -1.428 54.827 56.287 -0.053 0.000 0.973 148 K CB 2.239 34.717 32.500 -0.037 0.000 1.290 148 K HN -0.011 nan 8.250 nan 0.000 0.604 149 P HA 0.051 nan 4.420 nan 0.000 0.277 149 P C -0.386 176.690 177.300 -0.374 0.000 1.276 149 P CA -0.552 62.476 63.100 -0.119 0.000 0.788 149 P CB 0.503 32.161 31.700 -0.070 0.000 1.114 150 A N 1.536 124.118 122.820 -0.396 0.000 2.565 150 A HA 0.018 4.338 4.320 -0.001 0.000 0.237 150 A C 0.839 178.213 177.584 -0.351 0.000 1.053 150 A CA 0.391 52.106 52.037 -0.537 0.000 0.755 150 A CB -0.916 18.029 19.000 -0.091 0.000 0.980 150 A HN 0.730 nan 8.150 nan 0.000 0.506 151 N N 0.742 119.211 118.700 -0.385 0.000 2.159 151 N HA 0.213 4.953 4.740 -0.001 0.000 0.217 151 N C -0.540 174.879 175.510 -0.152 0.000 1.223 151 N CA -0.025 52.910 53.050 -0.192 0.000 0.896 151 N CB 0.518 38.972 38.487 -0.056 0.000 1.064 151 N HN 0.409 nan 8.380 nan 0.000 0.518 152 M N 0.829 120.280 119.600 -0.249 0.000 2.421 152 M HA 0.457 4.937 4.480 -0.001 0.000 0.287 152 M C -1.433 174.735 176.300 -0.220 0.000 1.183 152 M CA -0.546 54.622 55.300 -0.219 0.000 0.916 152 M CB 2.417 34.884 32.600 -0.221 0.000 1.701 152 M HN -0.071 nan 8.290 nan 0.000 0.470 153 I N 2.669 123.094 120.570 -0.242 0.000 2.474 153 I HA 0.539 4.709 4.170 -0.001 0.000 0.294 153 I C -0.886 175.129 176.117 -0.171 0.000 1.005 153 I CA -0.871 60.305 61.300 -0.207 0.000 1.113 153 I CB 2.471 40.336 38.000 -0.224 0.000 1.289 153 I HN 0.539 nan 8.210 nan 0.000 0.436 154 L N 5.618 126.722 121.223 -0.198 0.000 2.316 154 L HA 0.528 4.868 4.340 -0.001 0.000 0.280 154 L C -1.399 175.340 176.870 -0.218 0.000 1.006 154 L CA -0.191 54.546 54.840 -0.171 0.000 0.836 154 L CB 1.050 43.027 42.059 -0.136 0.000 1.221 154 L HN 0.519 nan 8.230 nan 0.000 0.418 155 D N 2.593 122.918 120.400 -0.126 0.000 2.527 155 D HA 0.390 5.030 4.640 -0.001 0.000 0.233 155 D C -1.631 174.623 176.300 -0.077 0.000 1.063 155 D CA -0.111 53.819 54.000 -0.116 0.000 0.880 155 D CB 2.465 43.225 40.800 -0.067 0.000 1.457 155 D HN 0.410 nan 8.370 nan 0.000 0.475 156 D N 0.832 121.175 120.400 -0.095 0.000 2.336 156 D HA 0.445 5.085 4.640 -0.001 0.000 0.248 156 D C 0.666 176.835 176.300 -0.219 0.000 1.326 156 D CA -0.016 53.927 54.000 -0.094 0.000 0.973 156 D CB 0.258 41.048 40.800 -0.016 0.000 1.255 156 D HN 0.558 nan 8.370 nan 0.000 0.558 157 G N 1.999 110.554 108.800 -0.409 0.000 2.195 157 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.224 157 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.224 157 G C 1.123 175.937 174.900 -0.143 0.000 0.990 157 G CA 0.519 45.170 45.100 -0.748 0.000 0.639 157 G HN 1.616 nan 8.290 nan 0.000 0.514 158 G N -0.327 108.461 108.800 -0.021 0.000 2.159 158 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.256 158 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.256 158 G C 0.778 175.798 174.900 0.200 0.000 0.977 158 G CA 1.136 46.301 45.100 0.107 0.000 0.652 158 G HN 0.642 nan 8.290 nan 0.000 0.531 159 D N 0.547 121.086 120.400 0.231 0.000 2.117 159 D HA 0.071 4.711 4.640 -0.001 0.000 0.197 159 D C 2.706 179.193 176.300 0.312 0.000 0.987 159 D CA 1.767 55.980 54.000 0.355 0.000 0.829 159 D CB -0.561 40.432 40.800 0.321 0.000 0.961 159 D HN 0.687 nan 8.370 nan 0.000 0.460 160 A N 0.264 123.163 122.820 0.133 0.000 1.877 160 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 160 A C 2.381 180.025 177.584 0.100 0.000 1.186 160 A CA 2.258 54.344 52.037 0.081 0.000 0.620 160 A CB -0.999 17.975 19.000 -0.043 0.000 0.822 160 A HN 0.222 nan 8.150 nan 0.000 0.443 161 T N -0.208 114.401 114.554 0.092 0.000 2.684 161 T HA -0.220 4.130 4.350 -0.001 0.000 0.267 161 T C 1.945 176.672 174.700 0.045 0.000 1.036 161 T CA 1.802 63.957 62.100 0.092 0.000 1.148 161 T CB -0.330 68.595 68.868 0.096 0.000 0.863 161 T HN 0.521 nan 8.240 nan 0.000 0.436 162 M N 0.383 120.082 119.600 0.165 0.000 2.108 162 M HA -0.084 4.395 4.480 -0.001 0.000 0.261 162 M C 2.142 178.561 176.300 0.199 0.000 1.066 162 M CA 1.497 56.941 55.300 0.240 0.000 1.107 162 M CB -0.253 32.499 32.600 0.253 0.000 1.356 162 M HN 0.198 nan 8.290 nan 0.000 0.406 163 L N -0.016 121.335 121.223 0.213 0.000 2.012 163 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 163 L C 2.139 178.764 176.870 -0.408 0.000 1.073 163 L CA 1.620 56.444 54.840 -0.027 0.000 0.748 163 L CB -0.640 41.419 42.059 0.000 0.000 0.891 163 L HN 0.195 nan 8.230 nan 0.000 0.431 164 V N -0.737 119.095 119.914 -0.137 0.000 2.358 164 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 164 V C 2.419 178.496 176.094 -0.029 0.000 1.047 164 V CA 1.887 64.205 62.300 0.030 0.000 1.035 164 V CB -0.489 31.457 31.823 0.206 0.000 0.658 164 V HN 0.397 nan 8.190 nan 0.000 0.452 165 L N -0.978 120.170 121.223 -0.125 0.000 2.131 165 L HA -0.006 4.334 4.340 -0.001 0.000 0.206 165 L C 2.828 179.583 176.870 -0.193 0.000 1.087 165 L CA 0.959 55.651 54.840 -0.247 0.000 0.767 165 L CB -0.480 41.164 42.059 -0.692 0.000 0.917 165 L HN 0.190 nan 8.230 nan 0.000 0.441 166 R N 0.227 120.639 120.500 -0.146 0.000 2.073 166 R HA -0.011 4.328 4.340 -0.001 0.000 0.229 166 R C 2.271 178.180 176.300 -0.651 0.000 1.120 166 R CA 1.226 57.121 56.100 -0.342 0.000 0.967 166 R CB -0.997 29.300 30.300 -0.006 0.000 0.862 166 R HN 0.358 nan 8.270 nan 0.000 0.436 167 G N 1.588 110.104 108.800 -0.474 0.000 2.491 167 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.218 167 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.218 167 G C 1.503 176.358 174.900 -0.073 0.000 1.180 167 G CA 1.069 45.880 45.100 -0.481 0.000 0.774 167 G HN 0.311 nan 8.290 nan 0.000 0.562 168 M N 0.056 119.656 119.600 0.000 0.000 2.175 168 M HA -0.037 4.442 4.480 -0.001 0.000 0.264 168 M C 2.616 178.899 176.300 -0.028 0.000 1.063 168 M CA 2.063 57.405 55.300 0.070 0.000 1.119 168 M CB -0.210 32.434 32.600 0.073 0.000 1.377 168 M HN 0.423 nan 8.290 nan 0.000 0.415 169 Q N -0.278 119.422 119.800 -0.166 0.000 2.061 169 Q HA -0.231 4.108 4.340 -0.001 0.000 0.204 169 Q C 1.551 177.490 176.000 -0.101 0.000 0.984 169 Q CA 2.155 57.847 55.803 -0.184 0.000 0.846 169 Q CB -0.325 28.228 28.738 -0.309 0.000 0.902 169 Q HN 0.673 nan 8.270 nan 0.000 0.421 170 Y N 0.857 121.116 120.300 -0.069 0.000 2.373 170 Y HA -0.037 4.513 4.550 -0.001 0.000 0.293 170 Y C 1.996 177.730 175.900 -0.278 0.000 1.129 170 Y CA 0.932 58.923 58.100 -0.183 0.000 1.226 170 Y CB -0.291 38.014 38.460 -0.259 0.000 1.000 170 Y HN 0.266 nan 8.280 nan 0.000 0.549 171 E N 0.365 120.566 120.200 0.001 0.000 2.028 171 E HA -0.159 4.191 4.350 -0.001 0.000 0.190 171 E C 2.046 178.715 176.600 0.115 0.000 0.984 171 E CA 0.917 57.376 56.400 0.097 0.000 0.800 171 E CB -0.120 29.726 29.700 0.243 0.000 0.758 171 E HN 0.361 nan 8.360 nan 0.000 0.448 172 K N 0.375 120.824 120.400 0.081 0.000 2.160 172 K HA -0.170 4.149 4.320 -0.001 0.000 0.206 172 K C 2.027 178.664 176.600 0.062 0.000 1.047 172 K CA 1.211 57.538 56.287 0.068 0.000 0.930 172 K CB -0.114 32.413 32.500 0.045 0.000 0.720 172 K HN 0.066 nan 8.250 nan 0.000 0.450 173 A N -0.020 122.830 122.820 0.050 0.000 2.072 173 A HA 0.137 4.457 4.320 -0.001 0.000 0.216 173 A C 1.569 179.173 177.584 0.034 0.000 1.156 173 A CA 1.091 53.154 52.037 0.044 0.000 0.701 173 A CB -0.167 18.869 19.000 0.060 0.000 0.816 173 A HN 0.420 nan 8.150 nan 0.000 0.458 174 G N -2.148 106.668 108.800 0.028 0.000 2.143 174 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.249 174 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.249 174 G C 0.092 175.000 174.900 0.013 0.000 0.981 174 G CA 0.441 45.619 45.100 0.130 0.000 0.665 174 G HN 1.491 nan 8.290 nan 0.000 0.528 175 V N -0.494 119.267 119.914 -0.256 0.000 2.924 175 V HA 0.560 4.679 4.120 -0.001 0.000 0.300 175 V C -0.387 175.456 176.094 -0.419 0.000 1.227 175 V CA -0.573 61.556 62.300 -0.284 0.000 0.954 175 V CB 2.321 34.092 31.823 -0.088 0.000 1.055 175 V HN 0.539 nan 8.190 nan 0.000 0.429 176 V N 8.064 127.698 119.914 -0.466 0.000 2.432 176 V HA 0.406 4.526 4.120 -0.001 0.000 0.275 176 V C -2.011 173.797 176.094 -0.475 0.000 1.043 176 V CA -1.526 60.431 62.300 -0.572 0.000 0.925 176 V CB 1.517 33.075 31.823 -0.443 0.000 0.985 176 V HN 0.832 nan 8.190 nan 0.000 0.466 177 P HA 0.136 nan 4.420 nan 0.000 0.266 177 P C -2.454 174.709 177.300 -0.228 0.000 1.193 177 P CA -0.741 62.164 63.100 -0.325 0.000 0.770 177 P CB -0.243 31.293 31.700 -0.275 0.000 0.836 178 P HA 0.177 nan 4.420 nan 0.000 0.274 178 P C -0.940 176.340 177.300 -0.033 0.000 1.237 178 P CA -0.196 62.858 63.100 -0.078 0.000 0.793 178 P CB 0.634 32.308 31.700 -0.043 0.000 0.977 179 A N 1.759 124.572 122.820 -0.012 0.000 2.303 179 A HA 0.377 4.696 4.320 -0.001 0.000 0.317 179 A C 0.353 177.974 177.584 0.061 0.000 1.149 179 A CA -0.637 51.441 52.037 0.068 0.000 0.822 179 A CB 0.263 19.303 19.000 0.067 0.000 1.131 179 A HN 0.521 nan 8.150 nan 0.000 0.493 180 E N 1.435 121.686 120.200 0.085 0.000 2.366 180 E HA 0.029 4.379 4.350 -0.001 0.000 0.266 180 E C 0.727 177.357 176.600 0.050 0.000 1.051 180 E CA 0.109 56.538 56.400 0.049 0.000 0.884 180 E CB 0.646 30.366 29.700 0.034 0.000 1.006 180 E HN 0.854 nan 8.360 nan 0.000 0.417 181 E N 1.883 122.102 120.200 0.031 0.000 2.219 181 E HA -0.250 4.100 4.350 -0.001 0.000 0.198 181 E C 0.455 177.072 176.600 0.029 0.000 0.998 181 E CA 1.599 58.016 56.400 0.028 0.000 0.818 181 E CB -0.091 29.620 29.700 0.019 0.000 0.741 181 E HN 0.456 nan 8.360 nan 0.000 0.477 182 D N 0.815 121.228 120.400 0.022 0.000 2.395 182 D HA 0.052 4.692 4.640 -0.001 0.000 0.226 182 D C -0.454 175.854 176.300 0.012 0.000 1.146 182 D CA -0.350 53.657 54.000 0.011 0.000 0.830 182 D CB -0.199 40.599 40.800 -0.005 0.000 0.958 182 D HN -0.059 nan 8.370 nan 0.000 0.501 183 D N 1.732 122.161 120.400 0.047 0.000 2.304 183 D HA 0.248 4.887 4.640 -0.001 0.000 0.247 183 D C -2.099 174.249 176.300 0.080 0.000 1.089 183 D CA -1.402 52.642 54.000 0.074 0.000 0.910 183 D CB 1.165 42.102 40.800 0.229 0.000 1.199 183 D HN 0.054 nan 8.370 nan 0.000 0.426 184 P HA 0.038 nan 4.420 nan 0.000 0.268 184 P C 0.145 177.519 177.300 0.123 0.000 1.208 184 P CA -0.138 63.002 63.100 0.066 0.000 0.777 184 P CB 0.619 32.335 31.700 0.027 0.000 0.875 185 A N 2.013 124.889 122.820 0.094 0.000 1.908 185 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 185 A C 2.097 179.760 177.584 0.131 0.000 1.181 185 A CA 1.720 53.818 52.037 0.101 0.000 0.627 185 A CB -1.152 17.900 19.000 0.087 0.000 0.818 185 A HN 0.674 nan 8.150 nan 0.000 0.445 186 E N -1.297 118.991 120.200 0.146 0.000 2.110 186 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 186 E C 1.860 178.581 176.600 0.200 0.000 0.988 186 E CA 0.882 57.407 56.400 0.208 0.000 0.804 186 E CB -0.221 29.595 29.700 0.194 0.000 0.745 186 E HN 0.859 nan 8.360 nan 0.000 0.458 187 W N 1.645 122.933 121.300 -0.019 0.000 2.358 187 W HA -0.195 4.464 4.660 -0.001 0.000 0.303 187 W C 1.670 178.197 176.519 0.013 0.000 1.208 187 W CA 1.195 58.516 57.345 -0.041 0.000 1.274 187 W CB 0.058 29.476 29.460 -0.069 0.000 1.138 187 W HN -0.011 nan 8.180 nan 0.000 0.515 188 K N -0.000 120.430 120.400 0.051 0.000 2.026 188 K HA -0.195 4.125 4.320 -0.001 0.000 0.208 188 K C 1.803 178.337 176.600 -0.110 0.000 1.048 188 K CA 1.942 58.200 56.287 -0.047 0.000 0.929 188 K CB -0.776 31.748 32.500 0.040 0.000 0.713 188 K HN -0.013 nan 8.250 nan 0.000 0.439 189 V N 1.257 121.153 119.914 -0.031 0.000 2.287 189 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 189 V C 2.012 177.989 176.094 -0.195 0.000 1.053 189 V CA 1.917 64.210 62.300 -0.011 0.000 1.027 189 V CB -0.534 31.390 31.823 0.169 0.000 0.646 189 V HN 0.253 nan 8.190 nan 0.000 0.447 190 F N 0.272 119.851 119.950 -0.618 0.000 2.095 190 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 190 F C 2.083 177.437 175.800 -0.743 0.000 1.104 190 F CA 1.784 59.164 58.000 -1.033 0.000 1.232 190 F CB -0.246 37.974 39.000 -1.299 0.000 0.987 190 F HN 0.017 nan 8.300 nan 0.000 0.475 191 L N 0.143 120.935 121.223 -0.718 0.000 2.093 191 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 191 L C 2.222 178.831 176.870 -0.435 0.000 1.085 191 L CA 1.131 55.571 54.840 -0.667 0.000 0.755 191 L CB -0.878 40.820 42.059 -0.602 0.000 0.904 191 L HN 0.184 nan 8.230 nan 0.000 0.435 192 N N 0.364 118.880 118.700 -0.306 0.000 2.104 192 N HA -0.209 4.531 4.740 -0.001 0.000 0.190 192 N C 1.837 177.263 175.510 -0.140 0.000 1.024 192 N CA 1.157 54.107 53.050 -0.167 0.000 0.853 192 N CB -0.374 38.059 38.487 -0.089 0.000 1.008 192 N HN 0.237 nan 8.380 nan 0.000 0.424 193 L N 0.730 121.837 121.223 -0.192 0.000 1.970 193 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 193 L C 2.071 178.869 176.870 -0.120 0.000 1.071 193 L CA 1.238 56.005 54.840 -0.121 0.000 0.751 193 L CB -0.299 41.673 42.059 -0.146 0.000 0.889 193 L HN 0.129 nan 8.230 nan 0.000 0.432 194 L N -0.809 120.226 121.223 -0.312 0.000 2.046 194 L HA -0.235 4.105 4.340 -0.001 0.000 0.208 194 L C 2.817 179.678 176.870 -0.015 0.000 1.077 194 L CA 1.336 56.066 54.840 -0.184 0.000 0.747 194 L CB -0.578 41.229 42.059 -0.421 0.000 0.896 194 L HN 0.307 nan 8.230 nan 0.000 0.432 195 R N -0.316 120.123 120.500 -0.102 0.000 2.083 195 R HA -0.163 4.177 4.340 -0.001 0.000 0.237 195 R C 2.281 178.627 176.300 0.076 0.000 1.137 195 R CA 2.118 58.207 56.100 -0.018 0.000 0.951 195 R CB -0.270 29.974 30.300 -0.093 0.000 0.851 195 R HN 0.276 nan 8.270 nan 0.000 0.434 196 T N 0.412 114.989 114.554 0.038 0.000 2.652 196 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 196 T C 1.743 176.494 174.700 0.085 0.000 1.039 196 T CA 1.765 63.899 62.100 0.056 0.000 1.153 196 T CB -0.308 68.587 68.868 0.046 0.000 0.863 196 T HN 0.216 nan 8.240 nan 0.000 0.428 197 R N 0.715 121.286 120.500 0.119 0.000 2.105 197 R HA -0.014 4.326 4.340 -0.001 0.000 0.239 197 R C 1.937 178.324 176.300 0.145 0.000 1.135 197 R CA 1.287 57.464 56.100 0.128 0.000 0.967 197 R CB -1.123 29.296 30.300 0.198 0.000 0.861 197 R HN 0.425 nan 8.270 nan 0.000 0.442 198 F N 1.579 121.562 119.950 0.055 0.000 2.269 198 F HA -0.070 4.457 4.527 -0.001 0.000 0.301 198 F C 1.446 177.255 175.800 0.016 0.000 1.082 198 F CA 1.589 59.617 58.000 0.047 0.000 1.360 198 F CB -0.036 38.998 39.000 0.057 0.000 1.041 198 F HN 0.181 nan 8.300 nan 0.000 0.512 199 E N -0.869 119.317 120.200 -0.022 0.000 2.204 199 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 199 E C 1.764 178.281 176.600 -0.140 0.000 0.990 199 E CA 1.661 58.001 56.400 -0.101 0.000 0.821 199 E CB -0.209 29.482 29.700 -0.015 0.000 0.750 199 E HN 0.544 nan 8.360 nan 0.000 0.477 200 T N -3.166 111.320 114.554 -0.112 0.000 2.975 200 T HA 0.077 4.427 4.350 -0.001 0.000 0.261 200 T C 0.048 174.678 174.700 -0.116 0.000 0.984 200 T CA -0.380 61.661 62.100 -0.098 0.000 0.911 200 T CB 0.688 69.523 68.868 -0.054 0.000 1.127 200 T HN -0.150 nan 8.240 nan 0.000 0.514 201 D N 0.481 120.802 120.400 -0.132 0.000 2.470 201 D HA 0.315 4.955 4.640 -0.001 0.000 0.233 201 D C 0.348 176.582 176.300 -0.109 0.000 1.372 201 D CA -0.439 53.486 54.000 -0.124 0.000 0.994 201 D CB 1.713 42.438 40.800 -0.125 0.000 1.377 201 D HN -0.165 nan 8.370 nan 0.000 0.586 202 K N 1.474 121.789 120.400 -0.142 0.000 2.400 202 K HA 0.058 4.377 4.320 -0.001 0.000 0.194 202 K C 0.443 177.122 176.600 0.131 0.000 1.033 202 K CA 0.513 56.740 56.287 -0.100 0.000 1.021 202 K CB 0.664 33.043 32.500 -0.202 0.000 0.808 202 K HN 0.439 nan 8.250 nan 0.000 0.505 203 D N -0.619 119.805 120.400 0.039 0.000 2.540 203 D HA 0.005 4.644 4.640 -0.001 0.000 0.229 203 D C 1.291 177.573 176.300 -0.029 0.000 1.250 203 D CA -0.222 53.805 54.000 0.044 0.000 0.817 203 D CB 0.203 41.015 40.800 0.020 0.000 1.060 203 D HN -0.101 nan 8.370 nan 0.000 0.508 204 K N 0.470 120.783 120.400 -0.143 0.000 2.001 204 K HA -0.186 4.134 4.320 -0.001 0.000 0.214 204 K C 1.076 177.456 176.600 -0.366 0.000 1.050 204 K CA 1.768 57.822 56.287 -0.388 0.000 0.934 204 K CB -0.228 31.834 32.500 -0.730 0.000 0.718 204 K HN 0.231 nan 8.250 nan 0.000 0.443 205 W N 0.720 122.042 121.300 0.037 0.000 2.418 205 W HA -0.058 4.602 4.660 -0.001 0.000 0.292 205 W C 2.368 178.905 176.519 0.029 0.000 1.213 205 W CA 0.942 58.302 57.345 0.025 0.000 1.283 205 W CB -0.574 28.892 29.460 0.010 0.000 1.119 205 W HN 0.120 nan 8.180 nan 0.000 0.542 206 T N 0.690 115.367 114.554 0.205 0.000 2.684 206 T HA -0.203 4.147 4.350 -0.001 0.000 0.267 206 T C 1.808 176.561 174.700 0.088 0.000 1.036 206 T CA 1.351 63.529 62.100 0.129 0.000 1.148 206 T CB -0.266 68.663 68.868 0.101 0.000 0.863 206 T HN -0.021 nan 8.240 nan 0.000 0.436 207 K N 0.896 121.322 120.400 0.044 0.000 2.026 207 K HA 0.033 4.352 4.320 -0.001 0.000 0.208 207 K C 2.321 178.936 176.600 0.026 0.000 1.048 207 K CA 1.087 57.383 56.287 0.015 0.000 0.929 207 K CB -0.705 31.778 32.500 -0.028 0.000 0.713 207 K HN 0.389 nan 8.250 nan 0.000 0.439 208 I N 1.151 121.741 120.570 0.032 0.000 2.127 208 I HA -0.300 3.869 4.170 -0.001 0.000 0.241 208 I C 2.516 178.694 176.117 0.103 0.000 1.075 208 I CA 1.352 62.687 61.300 0.059 0.000 1.334 208 I CB -0.488 37.577 38.000 0.109 0.000 1.040 208 I HN 0.089 nan 8.210 nan 0.000 0.405 209 A N 0.392 123.323 122.820 0.185 0.000 1.948 209 A HA -0.265 4.055 4.320 -0.001 0.000 0.220 209 A C 2.168 179.894 177.584 0.238 0.000 1.177 209 A CA 2.023 54.223 52.037 0.272 0.000 0.636 209 A CB -0.663 18.477 19.000 0.234 0.000 0.815 209 A HN 0.521 nan 8.150 nan 0.000 0.449 210 E N -0.902 119.379 120.200 0.134 0.000 2.208 210 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 210 E C 2.118 178.760 176.600 0.070 0.000 0.988 210 E CA 0.919 57.378 56.400 0.099 0.000 0.828 210 E CB -0.084 29.652 29.700 0.061 0.000 0.763 210 E HN 0.591 nan 8.360 nan 0.000 0.478 211 S N 0.260 115.983 115.700 0.038 0.000 2.436 211 S HA -0.025 4.445 4.470 -0.001 0.000 0.228 211 S C 0.881 175.462 174.600 -0.032 0.000 1.014 211 S CA -0.018 58.178 58.200 -0.007 0.000 0.950 211 S CB 0.210 63.385 63.200 -0.042 0.000 0.784 211 S HN -0.060 nan 8.310 nan 0.000 0.504 212 V N 3.899 123.771 119.914 -0.071 0.000 2.450 212 V HA 0.128 4.248 4.120 -0.001 0.000 0.281 212 V C 0.931 176.939 176.094 -0.143 0.000 1.019 212 V CA 0.048 62.205 62.300 -0.239 0.000 1.062 212 V CB 0.811 32.244 31.823 -0.650 0.000 0.979 212 V HN 0.279 nan 8.190 nan 0.000 0.477 213 K N 3.362 123.724 120.400 -0.064 0.000 2.418 213 K HA 0.278 4.597 4.320 -0.001 0.000 0.195 213 K C 0.761 177.360 176.600 -0.003 0.000 1.035 213 K CA 0.639 56.937 56.287 0.018 0.000 1.003 213 K CB 0.381 32.928 32.500 0.079 0.000 0.793 213 K HN 0.901 nan 8.250 nan 0.000 0.494 214 G N -0.734 107.986 108.800 -0.133 0.000 2.355 214 G HA2 0.300 4.260 3.960 -0.001 0.000 0.296 214 G HA3 0.300 4.260 3.960 -0.001 0.000 0.296 214 G C -1.976 172.792 174.900 -0.221 0.000 1.507 214 G CA -0.544 44.494 45.100 -0.105 0.000 0.823 214 G HN -0.080 nan 8.290 nan 0.000 0.569 215 V N 0.345 120.211 119.914 -0.080 0.000 2.680 215 V HA 0.901 5.021 4.120 -0.001 0.000 0.309 215 V C 0.086 176.160 176.094 -0.033 0.000 1.052 215 V CA 0.222 62.474 62.300 -0.081 0.000 0.908 215 V CB 2.116 33.941 31.823 0.004 0.000 1.001 215 V HN 1.584 nan 8.190 nan 0.000 0.431 216 T N 2.485 117.010 114.554 -0.048 0.000 2.823 216 T HA 0.752 5.102 4.350 -0.001 0.000 0.279 216 T C -0.745 173.945 174.700 -0.017 0.000 0.998 216 T CA -0.571 61.514 62.100 -0.024 0.000 0.994 216 T CB 1.626 70.481 68.868 -0.021 0.000 0.960 216 T HN 0.794 nan 8.240 nan 0.000 0.448 217 E N 1.243 121.439 120.200 -0.006 0.000 2.199 217 E HA 0.295 4.645 4.350 -0.001 0.000 0.265 217 E C 0.476 177.078 176.600 0.004 0.000 0.882 217 E CA -0.636 55.755 56.400 -0.014 0.000 0.759 217 E CB 1.767 31.448 29.700 -0.030 0.000 1.148 217 E HN 0.698 nan 8.360 nan 0.000 0.412 218 E N 2.515 122.725 120.200 0.015 0.000 2.318 218 E HA 0.038 4.388 4.350 -0.001 0.000 0.193 218 E C -0.279 176.344 176.600 0.037 0.000 0.998 218 E CA 0.550 56.987 56.400 0.062 0.000 0.859 218 E CB 0.606 30.384 29.700 0.128 0.000 0.812 218 E HN 0.496 nan 8.360 nan 0.000 0.492 219 T N -1.554 112.990 114.554 -0.017 0.000 2.906 219 T HA 0.217 4.566 4.350 -0.001 0.000 0.295 219 T C 0.808 175.478 174.700 -0.050 0.000 1.075 219 T CA -0.363 61.718 62.100 -0.033 0.000 1.005 219 T CB 1.774 70.606 68.868 -0.060 0.000 1.136 219 T HN -0.120 nan 8.240 nan 0.000 0.498 220 T N 1.612 116.152 114.554 -0.023 0.000 2.684 220 T HA -0.121 4.229 4.350 -0.001 0.000 0.267 220 T C 2.014 176.707 174.700 -0.012 0.000 1.036 220 T CA 2.116 64.217 62.100 0.002 0.000 1.148 220 T CB -0.609 68.268 68.868 0.016 0.000 0.863 220 T HN 0.687 nan 8.240 nan 0.000 0.436 221 T N 1.183 115.703 114.554 -0.057 0.000 2.720 221 T HA -0.065 4.285 4.350 -0.001 0.000 0.268 221 T C 2.267 176.934 174.700 -0.056 0.000 1.037 221 T CA 1.449 63.515 62.100 -0.056 0.000 1.144 221 T CB -0.872 67.917 68.868 -0.132 0.000 0.864 221 T HN 0.573 nan 8.240 nan 0.000 0.444 222 G N 0.655 109.373 108.800 -0.136 0.000 2.402 222 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.216 222 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.216 222 G C 1.712 176.587 174.900 -0.042 0.000 1.162 222 G CA 0.726 45.777 45.100 -0.082 0.000 0.777 222 G HN 0.431 nan 8.290 nan 0.000 0.539 223 V N 1.006 120.882 119.914 -0.064 0.000 2.287 223 V HA -0.171 3.949 4.120 -0.001 0.000 0.248 223 V C 2.703 178.745 176.094 -0.085 0.000 1.053 223 V CA 1.703 63.928 62.300 -0.125 0.000 1.027 223 V CB -0.556 31.224 31.823 -0.071 0.000 0.646 223 V HN 0.365 nan 8.190 nan 0.000 0.447 224 L N 0.525 121.783 121.223 0.059 0.000 2.043 224 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 224 L C 2.544 179.460 176.870 0.077 0.000 1.075 224 L CA 1.965 56.882 54.840 0.128 0.000 0.752 224 L CB -0.747 41.368 42.059 0.094 0.000 0.891 224 L HN 0.235 nan 8.230 nan 0.000 0.432 225 R N -0.968 119.558 120.500 0.044 0.000 2.115 225 R HA -0.049 4.290 4.340 -0.001 0.000 0.226 225 R C 2.305 178.669 176.300 0.106 0.000 1.100 225 R CA 1.309 57.428 56.100 0.031 0.000 0.980 225 R CB -0.456 29.894 30.300 0.084 0.000 0.875 225 R HN 0.399 nan 8.270 nan 0.000 0.445 226 L N -0.267 121.011 121.223 0.092 0.000 2.017 226 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 226 L C 2.240 179.130 176.870 0.032 0.000 1.073 226 L CA 1.471 56.348 54.840 0.061 0.000 0.745 226 L CB -0.521 41.460 42.059 -0.130 0.000 0.894 226 L HN 0.131 nan 8.230 nan 0.000 0.432 227 Y N 0.316 120.651 120.300 0.059 0.000 2.224 227 Y HA -0.268 4.281 4.550 -0.001 0.000 0.289 227 Y C 2.767 178.669 175.900 0.003 0.000 1.146 227 Y CA 1.069 59.182 58.100 0.023 0.000 1.182 227 Y CB -0.721 37.742 38.460 0.006 0.000 0.983 227 Y HN 0.254 nan 8.280 nan 0.000 0.524 228 Q N -1.360 118.504 119.800 0.106 0.000 2.124 228 Q HA -0.177 4.163 4.340 -0.001 0.000 0.202 228 Q C 2.005 177.958 176.000 -0.078 0.000 0.977 228 Q CA 1.588 57.370 55.803 -0.034 0.000 0.850 228 Q CB -0.409 28.247 28.738 -0.137 0.000 0.901 228 Q HN 0.392 nan 8.270 nan 0.000 0.429 229 F N 0.387 120.333 119.950 -0.007 0.000 2.146 229 F HA -0.150 4.376 4.527 -0.001 0.000 0.298 229 F C 2.355 178.133 175.800 -0.036 0.000 1.096 229 F CA 1.183 59.160 58.000 -0.037 0.000 1.275 229 F CB -0.554 38.405 39.000 -0.069 0.000 1.008 229 F HN 0.054 nan 8.300 nan 0.000 0.480 230 A N -0.295 122.629 122.820 0.173 0.000 1.969 230 A HA 0.030 4.350 4.320 -0.001 0.000 0.218 230 A C 2.378 180.006 177.584 0.074 0.000 1.169 230 A CA 1.373 53.470 52.037 0.099 0.000 0.635 230 A CB -1.213 17.847 19.000 0.100 0.000 0.810 230 A HN 0.286 nan 8.150 nan 0.000 0.445 231 A N 0.008 122.871 122.820 0.073 0.000 1.940 231 A HA 0.146 4.466 4.320 -0.001 0.000 0.219 231 A C 2.322 179.919 177.584 0.021 0.000 1.176 231 A CA 1.896 53.955 52.037 0.035 0.000 0.631 231 A CB -0.830 18.183 19.000 0.020 0.000 0.814 231 A HN 1.093 nan 8.150 nan 0.000 0.446 232 A N -1.923 120.913 122.820 0.026 0.000 2.235 232 A HA 0.393 4.713 4.320 -0.001 0.000 0.208 232 A C 1.809 179.412 177.584 0.033 0.000 1.172 232 A CA 1.252 53.301 52.037 0.021 0.000 0.786 232 A CB -0.982 18.025 19.000 0.012 0.000 0.804 232 A HN 1.942 nan 8.150 nan 0.000 0.479 233 G N -0.967 107.854 108.800 0.035 0.000 2.143 233 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.249 233 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.249 233 G C 0.145 175.056 174.900 0.018 0.000 0.981 233 G CA 0.484 45.598 45.100 0.022 0.000 0.665 233 G HN 0.427 nan 8.290 nan 0.000 0.528 234 D N -0.675 119.754 120.400 0.048 0.000 2.469 234 D HA 0.232 4.872 4.640 -0.001 0.000 0.215 234 D C 0.656 176.900 176.300 -0.093 0.000 1.154 234 D CA -0.269 53.755 54.000 0.041 0.000 0.832 234 D CB 0.537 41.455 40.800 0.198 0.000 1.008 234 D HN 0.368 nan 8.370 nan 0.000 0.506 235 L N 1.183 122.338 121.223 -0.114 0.000 2.295 235 L HA 0.416 4.756 4.340 -0.001 0.000 0.288 235 L C 1.092 177.728 176.870 -0.391 0.000 1.079 235 L CA -0.199 54.463 54.840 -0.297 0.000 0.830 235 L CB 0.837 42.810 42.059 -0.144 0.000 1.200 235 L HN -0.074 nan 8.230 nan 0.000 0.438 236 A N 5.397 127.780 122.820 -0.728 0.000 2.208 236 A HA 0.259 4.579 4.320 -0.001 0.000 0.209 236 A C 0.050 177.419 177.584 -0.359 0.000 1.161 236 A CA 0.534 52.244 52.037 -0.546 0.000 0.782 236 A CB -0.640 18.061 19.000 -0.499 0.000 0.816 236 A HN 0.651 nan 8.150 nan 0.000 0.477 237 F N -4.216 115.725 119.950 -0.015 0.000 2.668 237 F HA 0.664 5.191 4.527 -0.001 0.000 0.309 237 F C -3.305 172.510 175.800 0.025 0.000 1.117 237 F CA -3.821 54.181 58.000 0.003 0.000 0.951 237 F CB 0.284 39.274 39.000 -0.016 0.000 1.323 237 F HN -0.315 nan 8.300 nan 0.000 0.451 238 P HA 0.406 nan 4.420 nan 0.000 0.270 238 P C -1.078 176.352 177.300 0.218 0.000 1.223 238 P CA -0.060 63.188 63.100 0.246 0.000 0.785 238 P CB 0.857 32.654 31.700 0.161 0.000 0.923 239 A N 2.139 125.080 122.820 0.203 0.000 2.422 239 A HA 0.680 5.000 4.320 -0.001 0.000 0.302 239 A C -0.760 176.902 177.584 0.131 0.000 1.041 239 A CA -0.728 51.384 52.037 0.125 0.000 0.708 239 A CB 0.810 19.859 19.000 0.081 0.000 1.257 239 A HN 0.416 nan 8.150 nan 0.000 0.414 240 I N 2.262 122.864 120.570 0.054 0.000 2.336 240 I HA 0.201 4.371 4.170 -0.001 0.000 0.292 240 I C 0.040 176.182 176.117 0.042 0.000 0.991 240 I CA -0.686 60.660 61.300 0.078 0.000 1.227 240 I CB 1.608 39.630 38.000 0.036 0.000 1.366 240 I HN 0.697 nan 8.210 nan 0.000 0.466 241 N N 6.702 125.433 118.700 0.051 0.000 2.508 241 N HA 0.073 4.812 4.740 -0.001 0.000 0.253 241 N C 0.441 175.984 175.510 0.055 0.000 1.145 241 N CA 0.091 53.153 53.050 0.019 0.000 0.973 241 N CB 1.084 39.579 38.487 0.014 0.000 1.305 241 N HN 0.419 nan 8.380 nan 0.000 0.506 242 V N 3.209 123.149 119.914 0.043 0.000 2.788 242 V HA -0.111 4.008 4.120 -0.001 0.000 0.251 242 V C 2.352 178.480 176.094 0.057 0.000 1.068 242 V CA 0.890 63.223 62.300 0.056 0.000 1.090 242 V CB -0.774 31.086 31.823 0.062 0.000 0.710 242 V HN 0.739 nan 8.190 nan 0.000 0.467 243 N N 0.969 119.697 118.700 0.047 0.000 2.094 243 N HA -0.214 4.526 4.740 -0.001 0.000 0.191 243 N C 0.963 176.506 175.510 0.056 0.000 1.023 243 N CA 1.809 54.887 53.050 0.047 0.000 0.857 243 N CB -0.042 38.466 38.487 0.034 0.000 1.013 243 N HN 0.422 nan 8.380 nan 0.000 0.426 244 D N 0.536 120.978 120.400 0.070 0.000 2.325 244 D HA 0.091 4.731 4.640 -0.001 0.000 0.225 244 D C -0.116 176.233 176.300 0.082 0.000 1.096 244 D CA 0.073 54.122 54.000 0.082 0.000 0.844 244 D CB 0.139 41.006 40.800 0.111 0.000 0.925 244 D HN 0.065 nan 8.370 nan 0.000 0.513 245 S N 0.107 115.849 115.700 0.069 0.000 2.560 245 S HA 0.013 4.483 4.470 -0.001 0.000 0.284 245 S C 1.988 176.617 174.600 0.049 0.000 1.327 245 S CA -0.548 57.685 58.200 0.055 0.000 1.055 245 S CB 1.847 65.070 63.200 0.039 0.000 0.868 245 S HN -0.033 nan 8.310 nan 0.000 0.506 246 V N 3.213 123.142 119.914 0.024 0.000 2.332 246 V HA -0.214 3.905 4.120 -0.001 0.000 0.248 246 V C 2.621 178.788 176.094 0.122 0.000 1.055 246 V CA 2.270 64.564 62.300 -0.010 0.000 1.038 246 V CB -1.653 30.008 31.823 -0.271 0.000 0.651 246 V HN 1.078 nan 8.190 nan 0.000 0.450 247 T N -2.665 111.927 114.554 0.064 0.000 3.098 247 T HA -0.115 4.234 4.350 -0.001 0.000 0.266 247 T C 1.652 176.413 174.700 0.101 0.000 1.145 247 T CA 1.062 63.174 62.100 0.020 0.000 1.092 247 T CB 0.059 68.793 68.868 -0.223 0.000 0.908 247 T HN 0.352 nan 8.240 nan 0.000 0.526 248 K N 1.662 122.121 120.400 0.097 0.000 2.167 248 K HA 0.067 4.387 4.320 -0.001 0.000 0.214 248 K C 2.763 179.413 176.600 0.084 0.000 1.024 248 K CA 1.304 57.635 56.287 0.073 0.000 0.951 248 K CB -0.599 31.929 32.500 0.046 0.000 0.907 248 K HN 0.428 nan 8.250 nan 0.000 0.459 249 S N 2.147 117.878 115.700 0.052 0.000 2.368 249 S HA -0.156 4.314 4.470 -0.001 0.000 0.226 249 S C 1.636 176.193 174.600 -0.072 0.000 1.044 249 S CA 1.311 59.513 58.200 0.003 0.000 1.062 249 S CB -0.422 62.783 63.200 0.007 0.000 0.931 249 S HN 0.239 nan 8.310 nan 0.000 0.440 250 K N 0.228 120.577 120.400 -0.085 0.000 2.486 250 K HA 0.218 4.537 4.320 -0.001 0.000 0.194 250 K C 0.923 177.116 176.600 -0.679 0.000 1.033 250 K CA 0.509 56.587 56.287 -0.348 0.000 1.004 250 K CB -0.279 32.011 32.500 -0.350 0.000 0.798 250 K HN 0.561 nan 8.250 nan 0.000 0.495 251 F N 0.124 119.992 119.950 -0.138 0.000 2.463 251 F HA 0.032 4.559 4.527 -0.001 0.000 0.271 251 F C 2.173 177.929 175.800 -0.074 0.000 0.888 251 F CA 0.010 58.001 58.000 -0.015 0.000 1.149 251 F CB -0.257 38.767 39.000 0.039 0.000 1.071 251 F HN -0.091 nan 8.300 nan 0.000 0.802 252 D N 0.890 121.344 120.400 0.090 0.000 2.077 252 D HA -0.169 4.470 4.640 -0.001 0.000 0.193 252 D C 1.457 177.729 176.300 -0.046 0.000 0.989 252 D CA 1.918 55.924 54.000 0.010 0.000 0.831 252 D CB -0.347 40.499 40.800 0.077 0.000 0.979 252 D HN 0.080 nan 8.370 nan 0.000 0.449 253 N N 0.367 119.061 118.700 -0.010 0.000 2.166 253 N HA -0.126 4.614 4.740 -0.001 0.000 0.186 253 N C 1.648 177.081 175.510 -0.127 0.000 1.019 253 N CA 0.963 54.005 53.050 -0.014 0.000 0.856 253 N CB -0.134 38.334 38.487 -0.031 0.000 0.993 253 N HN 0.358 nan 8.380 nan 0.000 0.426 254 K N -0.530 119.709 120.400 -0.269 0.000 2.102 254 K HA 0.030 4.350 4.320 -0.001 0.000 0.208 254 K C 1.311 177.708 176.600 -0.338 0.000 1.027 254 K CA 0.510 56.556 56.287 -0.401 0.000 0.958 254 K CB -0.147 31.942 32.500 -0.685 0.000 0.819 254 K HN 0.019 nan 8.250 nan 0.000 0.453 255 Y N 0.550 120.763 120.300 -0.145 0.000 2.457 255 Y HA 0.092 4.642 4.550 -0.001 0.000 0.292 255 Y C 2.204 178.003 175.900 -0.170 0.000 1.125 255 Y CA 0.794 58.831 58.100 -0.105 0.000 1.254 255 Y CB -0.902 37.534 38.460 -0.040 0.000 1.012 255 Y HN 0.286 nan 8.280 nan 0.000 0.555 256 G N -0.268 108.374 108.800 -0.263 0.000 2.453 256 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.215 256 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.215 256 G C 1.761 176.304 174.900 -0.595 0.000 1.201 256 G CA 1.691 46.260 45.100 -0.886 0.000 0.784 256 G HN 0.325 nan 8.290 nan 0.000 0.545 257 T N 0.351 114.718 114.554 -0.311 0.000 2.720 257 T HA -0.134 4.215 4.350 -0.001 0.000 0.268 257 T C 2.276 176.997 174.700 0.035 0.000 1.037 257 T CA 1.345 63.465 62.100 0.033 0.000 1.144 257 T CB -0.179 68.714 68.868 0.041 0.000 0.864 257 T HN 0.343 nan 8.240 nan 0.000 0.444 258 R N 0.077 120.587 120.500 0.017 0.000 2.117 258 R HA -0.216 4.123 4.340 -0.001 0.000 0.243 258 R C 2.404 178.749 176.300 0.075 0.000 1.143 258 R CA 1.616 57.750 56.100 0.056 0.000 0.968 258 R CB -0.351 30.012 30.300 0.106 0.000 0.863 258 R HN 0.536 nan 8.270 nan 0.000 0.444 259 H N -0.373 118.705 119.070 0.014 0.000 2.317 259 H HA -0.023 4.532 4.556 -0.000 0.000 0.304 259 H C 1.875 177.234 175.328 0.052 0.000 1.067 259 H CA 1.994 58.061 56.048 0.032 0.000 1.352 259 H CB 0.074 29.854 29.762 0.029 0.000 1.398 259 H HN 0.395 nan 8.280 nan 0.000 0.510 260 S N 0.254 116.098 115.700 0.241 0.000 2.517 260 S HA -0.020 4.449 4.470 -0.001 0.000 0.214 260 S C 2.125 176.798 174.600 0.121 0.000 0.991 260 S CA 0.325 58.673 58.200 0.246 0.000 0.906 260 S CB -0.157 63.261 63.200 0.364 0.000 0.789 260 S HN 0.290 nan 8.310 nan 0.000 0.513 261 L N 2.580 123.855 121.223 0.086 0.000 2.005 261 L HA 0.104 4.443 4.340 -0.001 0.000 0.207 261 L C 2.074 178.958 176.870 0.022 0.000 1.072 261 L CA 1.877 56.745 54.840 0.048 0.000 0.744 261 L CB -0.746 41.333 42.059 0.032 0.000 0.895 261 L HN 0.459 nan 8.230 nan 0.000 0.433 262 I N -2.646 117.925 120.570 0.001 0.000 2.439 262 I HA -0.084 4.086 4.170 -0.001 0.000 0.251 262 I C 2.083 178.188 176.117 -0.018 0.000 1.139 262 I CA 1.518 62.809 61.300 -0.014 0.000 1.438 262 I CB -1.218 36.765 38.000 -0.029 0.000 1.085 262 I HN 0.211 nan 8.210 nan 0.000 0.427 263 D N 1.657 122.040 120.400 -0.028 0.000 2.106 263 D HA -0.159 4.481 4.640 -0.001 0.000 0.191 263 D C 2.343 178.656 176.300 0.021 0.000 0.997 263 D CA 2.058 56.054 54.000 -0.007 0.000 0.834 263 D CB -0.618 40.194 40.800 0.021 0.000 0.956 263 D HN 0.404 nan 8.370 nan 0.000 0.448 264 G N 0.435 109.255 108.800 0.033 0.000 2.421 264 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.216 264 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.216 264 G C 1.987 176.901 174.900 0.022 0.000 1.171 264 G CA 0.872 45.991 45.100 0.031 0.000 0.775 264 G HN 0.388 nan 8.290 nan 0.000 0.543 265 I N 1.097 121.678 120.570 0.019 0.000 2.163 265 I HA -0.204 3.965 4.170 -0.001 0.000 0.243 265 I C 2.579 178.704 176.117 0.014 0.000 1.085 265 I CA 0.979 62.289 61.300 0.017 0.000 1.347 265 I CB -0.316 37.693 38.000 0.014 0.000 1.044 265 I HN 0.069 nan 8.210 nan 0.000 0.408 266 N N 1.147 119.853 118.700 0.009 0.000 2.036 266 N HA -0.180 4.559 4.740 -0.001 0.000 0.195 266 N C 1.902 177.419 175.510 0.012 0.000 1.037 266 N CA 1.465 54.520 53.050 0.008 0.000 0.855 266 N CB -0.407 38.081 38.487 0.001 0.000 1.033 266 N HN 0.376 nan 8.380 nan 0.000 0.423 267 R N -0.155 120.354 120.500 0.014 0.000 2.090 267 R HA 0.036 4.375 4.340 -0.001 0.000 0.228 267 R C 2.273 178.579 176.300 0.011 0.000 1.110 267 R CA 1.139 57.248 56.100 0.015 0.000 0.973 267 R CB -0.534 29.779 30.300 0.021 0.000 0.869 267 R HN 0.263 nan 8.270 nan 0.000 0.440 268 G N 0.247 109.053 108.800 0.011 0.000 2.394 268 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.215 268 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.215 268 G C 1.450 176.358 174.900 0.013 0.000 1.165 268 G CA 1.465 46.570 45.100 0.008 0.000 0.784 268 G HN 0.474 nan 8.290 nan 0.000 0.535 269 T N -4.301 110.264 114.554 0.018 0.000 2.966 269 T HA 0.128 4.477 4.350 -0.001 0.000 0.254 269 T C 0.832 175.546 174.700 0.024 0.000 0.961 269 T CA 0.891 63.007 62.100 0.026 0.000 0.915 269 T CB 0.271 69.160 68.868 0.034 0.000 1.186 269 T HN 0.143 nan 8.240 nan 0.000 0.505 270 D N 2.005 122.415 120.400 0.017 0.000 2.860 270 D HA -0.152 4.488 4.640 -0.001 0.000 0.229 270 D C 0.395 176.705 176.300 0.017 0.000 1.169 270 D CA 0.938 54.947 54.000 0.014 0.000 0.737 270 D CB -1.418 39.389 40.800 0.012 0.000 1.080 270 D HN 0.874 nan 8.370 nan 0.000 0.424 271 A N 0.411 123.243 122.820 0.021 0.000 2.450 271 A HA 0.343 4.663 4.320 -0.001 0.000 0.255 271 A C 0.526 178.121 177.584 0.017 0.000 1.096 271 A CA -0.416 51.635 52.037 0.024 0.000 0.778 271 A CB 0.546 19.565 19.000 0.032 0.000 1.031 271 A HN 0.294 nan 8.150 nan 0.000 0.494 272 L N 3.143 124.375 121.223 0.015 0.000 2.559 272 L HA 0.108 4.447 4.340 -0.001 0.000 0.274 272 L C 0.731 177.610 176.870 0.015 0.000 1.205 272 L CA 0.701 55.548 54.840 0.013 0.000 0.907 272 L CB -0.006 42.060 42.059 0.011 0.000 1.153 272 L HN 0.720 nan 8.230 nan 0.000 0.490 273 I N 3.586 124.164 120.570 0.013 0.000 2.628 273 I HA 0.143 4.313 4.170 -0.001 0.000 0.255 273 I C 1.498 177.625 176.117 0.016 0.000 1.119 273 I CA 0.575 61.883 61.300 0.014 0.000 1.448 273 I CB -0.513 37.493 38.000 0.010 0.000 1.133 273 I HN 0.867 nan 8.210 nan 0.000 0.438 274 G N 0.335 109.144 108.800 0.016 0.000 2.224 274 G HA2 0.235 4.195 3.960 -0.001 0.000 0.239 274 G HA3 0.235 4.195 3.960 -0.001 0.000 0.239 274 G C 1.162 176.073 174.900 0.018 0.000 1.240 274 G CA 0.404 45.515 45.100 0.018 0.000 0.896 274 G HN 0.685 nan 8.290 nan 0.000 0.496 275 G N 1.397 110.209 108.800 0.021 0.000 2.245 275 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.264 275 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.264 275 G C 0.696 175.608 174.900 0.020 0.000 0.985 275 G CA 0.862 45.974 45.100 0.020 0.000 0.625 275 G HN 0.792 nan 8.290 nan 0.000 0.536 276 K N 0.985 121.397 120.400 0.020 0.000 2.185 276 K HA 0.458 4.778 4.320 -0.001 0.000 0.271 276 K C 0.575 177.186 176.600 0.019 0.000 1.013 276 K CA -0.403 55.896 56.287 0.020 0.000 0.943 276 K CB 0.850 33.362 32.500 0.019 0.000 0.998 276 K HN 0.334 nan 8.250 nan 0.000 0.468 277 K N 1.233 121.643 120.400 0.017 0.000 2.297 277 K HA 0.275 4.594 4.320 -0.001 0.000 0.286 277 K C -0.485 176.118 176.600 0.004 0.000 1.053 277 K CA -0.426 55.868 56.287 0.013 0.000 0.940 277 K CB 0.874 33.381 32.500 0.012 0.000 1.019 277 K HN 0.157 nan 8.250 nan 0.000 0.475 278 V N 4.604 124.513 119.914 -0.007 0.000 2.531 278 V HA 0.272 4.391 4.120 -0.001 0.000 0.301 278 V C -0.959 175.109 176.094 -0.044 0.000 1.034 278 V CA -1.017 61.270 62.300 -0.022 0.000 0.865 278 V CB 1.651 33.457 31.823 -0.029 0.000 0.995 278 V HN 0.533 nan 8.190 nan 0.000 0.424 279 L N 6.503 127.702 121.223 -0.041 0.000 2.287 279 L HA 0.630 4.970 4.340 -0.001 0.000 0.287 279 L C -0.736 176.099 176.870 -0.058 0.000 1.022 279 L CA 0.020 54.828 54.840 -0.054 0.000 0.814 279 L CB 1.064 43.096 42.059 -0.045 0.000 1.217 279 L HN 0.412 nan 8.230 nan 0.000 0.420 280 I N 4.799 125.324 120.570 -0.076 0.000 2.362 280 I HA 0.271 4.441 4.170 -0.001 0.000 0.289 280 I C -0.549 175.548 176.117 -0.035 0.000 0.994 280 I CA -0.440 60.826 61.300 -0.058 0.000 1.158 280 I CB 1.184 39.136 38.000 -0.080 0.000 1.315 280 I HN 0.549 nan 8.210 nan 0.000 0.451 281 C N 4.946 124.234 119.300 -0.020 0.000 2.239 281 C HA 0.803 5.262 4.460 -0.001 0.000 0.325 281 C C 0.789 175.787 174.990 0.014 0.000 1.231 281 C CA -0.408 58.603 59.018 -0.012 0.000 1.652 281 C CB -0.215 27.511 27.740 -0.024 0.000 2.284 281 C HN 1.080 nan 8.230 nan 0.000 0.499 282 G N 2.331 111.154 108.800 0.038 0.000 2.911 282 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.686 282 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.686 282 G C -1.194 173.788 174.900 0.136 0.000 1.136 282 G CA -0.643 44.496 45.100 0.064 0.000 0.764 282 G HN 0.793 nan 8.290 nan 0.000 0.626 283 Y N 2.375 122.662 120.300 -0.021 0.000 2.658 283 Y HA 0.517 5.067 4.550 -0.001 0.000 0.273 283 Y C 1.221 177.114 175.900 -0.012 0.000 0.992 283 Y CA 0.376 58.465 58.100 -0.018 0.000 1.105 283 Y CB 0.133 38.595 38.460 0.004 0.000 1.188 283 Y HN 0.985 nan 8.280 nan 0.000 0.616 284 G N 0.010 108.775 108.800 -0.058 0.000 2.504 284 G HA2 0.005 3.964 3.960 -0.001 0.000 0.257 284 G HA3 0.005 3.964 3.960 -0.001 0.000 0.257 284 G C 0.621 175.397 174.900 -0.206 0.000 1.451 284 G CA 0.106 45.147 45.100 -0.098 0.000 1.059 284 G HN 0.237 nan 8.290 nan 0.000 0.550 285 D N -1.015 119.288 120.400 -0.160 0.000 2.117 285 D HA -0.126 4.514 4.640 -0.001 0.000 0.197 285 D C 2.759 178.936 176.300 -0.204 0.000 0.987 285 D CA 0.938 54.815 54.000 -0.206 0.000 0.829 285 D CB -0.285 40.418 40.800 -0.163 0.000 0.961 285 D HN 0.056 nan 8.370 nan 0.000 0.460 286 V N 1.184 121.022 119.914 -0.127 0.000 2.237 286 V HA -0.170 3.950 4.120 -0.001 0.000 0.245 286 V C 2.647 178.675 176.094 -0.110 0.000 1.046 286 V CA 2.117 64.367 62.300 -0.084 0.000 1.007 286 V CB -1.151 30.656 31.823 -0.026 0.000 0.638 286 V HN 0.229 nan 8.190 nan 0.000 0.445 287 G N -0.449 108.280 108.800 -0.119 0.000 2.450 287 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.220 287 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.220 287 G C 1.659 176.414 174.900 -0.242 0.000 1.130 287 G CA 0.996 46.031 45.100 -0.109 0.000 0.760 287 G HN 0.491 nan 8.290 nan 0.000 0.557 288 K N 0.045 120.135 120.400 -0.518 0.000 2.026 288 K HA -0.044 4.275 4.320 -0.001 0.000 0.208 288 K C 2.797 179.259 176.600 -0.229 0.000 1.048 288 K CA 1.039 56.952 56.287 -0.623 0.000 0.929 288 K CB -0.489 31.619 32.500 -0.654 0.000 0.713 288 K HN 0.260 nan 8.250 nan 0.000 0.439 289 G N 1.122 109.805 108.800 -0.196 0.000 2.446 289 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.217 289 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.217 289 G C 1.667 176.541 174.900 -0.044 0.000 1.168 289 G CA 1.132 46.171 45.100 -0.102 0.000 0.771 289 G HN 0.326 nan 8.290 nan 0.000 0.551 290 C N 0.926 120.193 119.300 -0.055 0.000 2.388 290 C HA 0.001 4.460 4.460 -0.001 0.000 0.277 290 C C 3.576 178.536 174.990 -0.049 0.000 1.210 290 C CA 1.287 60.282 59.018 -0.038 0.000 1.743 290 C CB -1.121 26.593 27.740 -0.043 0.000 2.047 290 C HN 0.592 nan 8.230 nan 0.000 0.458 291 A N -0.180 122.592 122.820 -0.080 0.000 1.908 291 A HA -0.269 4.051 4.320 -0.001 0.000 0.218 291 A C 2.109 179.701 177.584 0.013 0.000 1.181 291 A CA 2.145 54.075 52.037 -0.179 0.000 0.627 291 A CB -0.752 18.052 19.000 -0.326 0.000 0.818 291 A HN 0.763 nan 8.150 nan 0.000 0.445 292 E N -0.291 119.972 120.200 0.104 0.000 2.077 292 E HA -0.107 4.243 4.350 -0.001 0.000 0.193 292 E C 2.174 178.834 176.600 0.099 0.000 0.989 292 E CA 0.998 57.491 56.400 0.155 0.000 0.800 292 E CB -0.262 29.517 29.700 0.132 0.000 0.746 292 E HN 0.539 nan 8.360 nan 0.000 0.452 293 A N 1.038 123.890 122.820 0.054 0.000 1.877 293 A HA -0.194 4.126 4.320 -0.001 0.000 0.216 293 A C 2.195 179.797 177.584 0.031 0.000 1.186 293 A CA 1.670 53.728 52.037 0.036 0.000 0.620 293 A CB -0.407 18.603 19.000 0.016 0.000 0.822 293 A HN 0.276 nan 8.150 nan 0.000 0.443 294 M N -0.384 119.228 119.600 0.020 0.000 2.099 294 M HA -0.110 4.370 4.480 -0.001 0.000 0.262 294 M C 2.161 178.490 176.300 0.048 0.000 1.067 294 M CA 1.945 57.254 55.300 0.015 0.000 1.124 294 M CB -1.148 31.439 32.600 -0.020 0.000 1.353 294 M HN 0.589 nan 8.290 nan 0.000 0.410 295 K N 0.230 120.687 120.400 0.094 0.000 2.074 295 K HA -0.163 4.156 4.320 -0.001 0.000 0.209 295 K C 1.903 178.564 176.600 0.103 0.000 1.048 295 K CA 1.819 58.200 56.287 0.157 0.000 0.926 295 K CB -0.415 32.268 32.500 0.305 0.000 0.713 295 K HN 0.399 nan 8.250 nan 0.000 0.444 296 G N 0.152 109.002 108.800 0.082 0.000 2.443 296 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.219 296 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.219 296 G C 1.282 176.204 174.900 0.038 0.000 1.131 296 G CA 0.183 45.316 45.100 0.056 0.000 0.775 296 G HN 0.313 nan 8.290 nan 0.000 0.547 297 Q N -0.404 119.417 119.800 0.034 0.000 2.360 297 Q HA 0.186 4.526 4.340 -0.001 0.000 0.202 297 Q C 1.556 177.572 176.000 0.027 0.000 0.915 297 Q CA 0.640 56.456 55.803 0.023 0.000 0.943 297 Q CB 0.837 29.583 28.738 0.014 0.000 1.064 297 Q HN 0.541 nan 8.270 nan 0.000 0.511 298 G N 0.484 109.307 108.800 0.038 0.000 2.138 298 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.193 298 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.193 298 G C 0.273 175.197 174.900 0.041 0.000 0.998 298 G CA 0.000 45.123 45.100 0.038 0.000 0.668 298 G HN 0.503 nan 8.290 nan 0.000 0.516 299 A N -0.005 122.843 122.820 0.045 0.000 2.366 299 A HA 0.724 5.043 4.320 -0.001 0.000 0.249 299 A C 0.759 178.379 177.584 0.061 0.000 1.084 299 A CA 0.003 52.064 52.037 0.040 0.000 0.794 299 A CB 0.309 19.324 19.000 0.025 0.000 1.034 299 A HN 0.488 nan 8.150 nan 0.000 0.491 300 R N 1.002 121.532 120.500 0.050 0.000 2.230 300 R HA 0.412 4.751 4.340 -0.001 0.000 0.337 300 R C -1.322 175.010 176.300 0.052 0.000 1.063 300 R CA -0.311 55.828 56.100 0.064 0.000 0.935 300 R CB 0.918 31.244 30.300 0.044 0.000 1.121 300 R HN 0.401 nan 8.270 nan 0.000 0.486 301 V N 2.622 122.587 119.914 0.085 0.000 2.394 301 V HA 0.288 4.407 4.120 -0.001 0.000 0.282 301 V C 0.054 176.149 176.094 0.000 0.000 1.031 301 V CA -0.363 61.916 62.300 -0.035 0.000 0.881 301 V CB 1.768 33.430 31.823 -0.268 0.000 0.982 301 V HN 0.724 nan 8.190 nan 0.000 0.451 302 S N 3.252 118.919 115.700 -0.056 0.000 2.607 302 S HA 0.824 5.294 4.470 -0.001 0.000 0.303 302 S C -0.593 173.938 174.600 -0.114 0.000 1.086 302 S CA -0.644 57.532 58.200 -0.040 0.000 0.995 302 S CB 2.210 65.401 63.200 -0.014 0.000 1.084 302 S HN 0.434 nan 8.310 nan 0.000 0.507 303 V N 1.619 121.475 119.914 -0.095 0.000 2.823 303 V HA 0.716 4.836 4.120 -0.001 0.000 0.312 303 V C 0.047 176.103 176.094 -0.064 0.000 1.072 303 V CA -0.784 61.450 62.300 -0.109 0.000 0.937 303 V CB 2.200 33.908 31.823 -0.190 0.000 1.013 303 V HN 1.050 nan 8.190 nan 0.000 0.430 304 T N 0.542 115.072 114.554 -0.041 0.000 2.888 304 T HA 0.834 5.184 4.350 -0.001 0.000 0.284 304 T C -0.856 173.842 174.700 -0.003 0.000 1.017 304 T CA -0.547 61.535 62.100 -0.029 0.000 1.022 304 T CB 2.212 71.057 68.868 -0.039 0.000 1.013 304 T HN 0.616 nan 8.240 nan 0.000 0.465 305 E N 1.165 121.364 120.200 -0.002 0.000 2.390 305 E HA 0.311 4.661 4.350 -0.001 0.000 0.280 305 E C 0.317 176.922 176.600 0.008 0.000 0.992 305 E CA -0.562 55.848 56.400 0.017 0.000 0.790 305 E CB 1.986 31.705 29.700 0.031 0.000 1.248 305 E HN 0.796 nan 8.360 nan 0.000 0.447 306 I N -2.078 118.501 120.570 0.014 0.000 3.462 306 I HA 0.302 4.472 4.170 -0.001 0.000 0.290 306 I C 0.650 176.774 176.117 0.011 0.000 1.236 306 I CA 0.191 61.496 61.300 0.009 0.000 1.418 306 I CB 0.384 38.388 38.000 0.007 0.000 1.102 306 I HN 0.082 nan 8.210 nan 0.000 0.441 307 D N 2.925 123.337 120.400 0.020 0.000 2.329 307 D HA 0.248 4.888 4.640 -0.001 0.000 0.232 307 D C -1.645 174.668 176.300 0.022 0.000 1.088 307 D CA -2.527 51.485 54.000 0.021 0.000 0.835 307 D CB 2.024 42.841 40.800 0.028 0.000 1.078 307 D HN -0.017 nan 8.370 nan 0.000 0.495 308 P HA -0.089 nan 4.420 nan 0.000 0.219 308 P C 1.821 179.131 177.300 0.016 0.000 1.150 308 P CA 0.663 63.769 63.100 0.009 0.000 0.814 308 P CB 0.630 32.332 31.700 0.003 0.000 0.787 309 I N 0.601 121.184 120.570 0.021 0.000 2.113 309 I HA -0.255 3.915 4.170 -0.001 0.000 0.238 309 I C 2.457 178.608 176.117 0.056 0.000 1.070 309 I CA 1.557 62.875 61.300 0.029 0.000 1.332 309 I CB -1.081 36.933 38.000 0.024 0.000 1.044 309 I HN -0.042 nan 8.210 nan 0.000 0.402 310 N N 1.257 120.004 118.700 0.078 0.000 2.104 310 N HA -0.194 4.546 4.740 -0.001 0.000 0.190 310 N C 1.986 177.577 175.510 0.135 0.000 1.024 310 N CA 1.598 54.742 53.050 0.156 0.000 0.853 310 N CB -0.255 38.334 38.487 0.170 0.000 1.008 310 N HN 0.395 nan 8.380 nan 0.000 0.424 311 A N 1.823 124.674 122.820 0.051 0.000 1.883 311 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 311 A C 2.251 179.814 177.584 -0.035 0.000 1.186 311 A CA 1.097 53.126 52.037 -0.013 0.000 0.624 311 A CB -0.807 18.188 19.000 -0.009 0.000 0.822 311 A HN 0.198 nan 8.150 nan 0.000 0.444 312 L N 0.066 121.286 121.223 -0.005 0.000 2.083 312 L HA -0.215 4.124 4.340 -0.001 0.000 0.209 312 L C 2.547 179.414 176.870 -0.005 0.000 1.083 312 L CA 2.256 57.090 54.840 -0.010 0.000 0.752 312 L CB -0.734 41.325 42.059 -0.000 0.000 0.899 312 L HN 0.538 nan 8.230 nan 0.000 0.433 313 Q N -0.939 118.885 119.800 0.041 0.000 2.084 313 Q HA -0.192 4.147 4.340 -0.001 0.000 0.202 313 Q C 2.275 178.291 176.000 0.027 0.000 0.978 313 Q CA 1.624 57.486 55.803 0.099 0.000 0.844 313 Q CB -0.440 28.445 28.738 0.245 0.000 0.898 313 Q HN 0.662 nan 8.270 nan 0.000 0.426 314 A N 1.109 123.796 122.820 -0.222 0.000 1.908 314 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 314 A C 2.113 179.585 177.584 -0.187 0.000 1.181 314 A CA 1.520 53.240 52.037 -0.527 0.000 0.627 314 A CB -0.521 18.002 19.000 -0.796 0.000 0.818 314 A HN 0.288 nan 8.150 nan 0.000 0.445 315 M N -1.281 118.239 119.600 -0.133 0.000 2.086 315 M HA -0.131 4.348 4.480 -0.001 0.000 0.261 315 M C 2.087 178.308 176.300 -0.132 0.000 1.067 315 M CA 1.263 56.499 55.300 -0.106 0.000 1.116 315 M CB -0.530 32.030 32.600 -0.067 0.000 1.348 315 M HN 0.288 nan 8.290 nan 0.000 0.407 316 M N 0.197 119.738 119.600 -0.099 0.000 2.358 316 M HA -0.114 4.366 4.480 -0.001 0.000 0.264 316 M C 1.274 177.493 176.300 -0.136 0.000 1.064 316 M CA 1.308 56.555 55.300 -0.087 0.000 1.093 316 M CB -1.043 31.534 32.600 -0.037 0.000 1.401 316 M HN 0.246 nan 8.290 nan 0.000 0.440 317 E N -0.457 119.614 120.200 -0.215 0.000 2.465 317 E HA 0.269 4.619 4.350 -0.001 0.000 0.191 317 E C 1.088 177.209 176.600 -0.798 0.000 1.053 317 E CA 0.497 56.681 56.400 -0.361 0.000 0.869 317 E CB 0.203 29.803 29.700 -0.168 0.000 0.977 317 E HN 0.607 nan 8.360 nan 0.000 0.483 318 G N 1.484 109.915 108.800 -0.615 0.000 2.131 318 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.223 318 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.223 318 G C -0.282 174.300 174.900 -0.530 0.000 0.990 318 G CA -0.352 44.423 45.100 -0.542 0.000 0.671 318 G HN 0.126 nan 8.290 nan 0.000 0.521 319 F N 1.290 121.190 119.950 -0.084 0.000 2.482 319 F HA 0.507 5.034 4.527 -0.001 0.000 0.331 319 F C 0.278 176.016 175.800 -0.103 0.000 1.115 319 F CA -2.096 55.846 58.000 -0.097 0.000 0.955 319 F CB 1.094 40.007 39.000 -0.146 0.000 1.136 319 F HN -0.128 nan 8.300 nan 0.000 0.452 320 D N 1.979 122.444 120.400 0.107 0.000 2.525 320 D HA 0.109 4.749 4.640 -0.001 0.000 0.235 320 D C -0.216 176.093 176.300 0.015 0.000 1.137 320 D CA 0.396 54.419 54.000 0.037 0.000 0.868 320 D CB 1.109 41.924 40.800 0.026 0.000 1.180 320 D HN 0.124 nan 8.370 nan 0.000 0.465 321 V N 3.303 123.209 119.914 -0.013 0.000 2.370 321 V HA 0.393 4.513 4.120 -0.001 0.000 0.279 321 V C 0.535 176.614 176.094 -0.024 0.000 1.029 321 V CA -0.508 61.773 62.300 -0.031 0.000 0.870 321 V CB 1.287 33.084 31.823 -0.042 0.000 0.984 321 V HN 0.420 nan 8.190 nan 0.000 0.451 322 V N 1.849 121.746 119.914 -0.029 0.000 3.181 322 V HA 0.863 4.982 4.120 -0.001 0.000 0.308 322 V C -0.085 175.989 176.094 -0.035 0.000 1.214 322 V CA -0.589 61.695 62.300 -0.027 0.000 1.053 322 V CB 2.103 33.911 31.823 -0.025 0.000 1.069 322 V HN 0.803 nan 8.190 nan 0.000 0.441 323 T N -1.122 113.411 114.554 -0.035 0.000 2.918 323 T HA 0.524 4.874 4.350 -0.001 0.000 0.283 323 T C 1.035 175.689 174.700 -0.075 0.000 1.001 323 T CA 0.099 62.170 62.100 -0.048 0.000 1.041 323 T CB 1.505 70.353 68.868 -0.033 0.000 1.028 323 T HN 0.783 nan 8.240 nan 0.000 0.511 324 V N 1.750 121.589 119.914 -0.125 0.000 2.287 324 V HA -0.162 3.957 4.120 -0.001 0.000 0.248 324 V C 2.742 178.730 176.094 -0.177 0.000 1.053 324 V CA 2.204 64.373 62.300 -0.219 0.000 1.027 324 V CB -1.123 30.433 31.823 -0.446 0.000 0.646 324 V HN 0.915 nan 8.190 nan 0.000 0.447 325 E N 0.620 120.757 120.200 -0.106 0.000 2.086 325 E HA -0.276 4.074 4.350 -0.001 0.000 0.200 325 E C 2.196 178.793 176.600 -0.005 0.000 1.012 325 E CA 1.975 58.374 56.400 -0.001 0.000 0.812 325 E CB -0.345 29.377 29.700 0.037 0.000 0.743 325 E HN 0.914 nan 8.360 nan 0.000 0.453 326 E N -0.368 119.821 120.200 -0.019 0.000 2.230 326 E HA 0.038 4.388 4.350 -0.001 0.000 0.192 326 E C 1.764 178.354 176.600 -0.016 0.000 0.987 326 E CA 0.963 57.355 56.400 -0.013 0.000 0.841 326 E CB 0.037 29.729 29.700 -0.012 0.000 0.783 326 E HN 0.205 nan 8.360 nan 0.000 0.481 327 A N 0.828 123.630 122.820 -0.030 0.000 2.085 327 A HA 0.161 4.481 4.320 -0.001 0.000 0.208 327 A C 2.027 179.596 177.584 -0.026 0.000 1.191 327 A CA 0.040 52.060 52.037 -0.027 0.000 0.799 327 A CB -0.196 18.783 19.000 -0.035 0.000 0.877 327 A HN 0.242 nan 8.150 nan 0.000 0.473 328 I N 0.944 121.492 120.570 -0.037 0.000 2.194 328 I HA -0.194 3.975 4.170 -0.001 0.000 0.246 328 I C 2.203 178.319 176.117 -0.001 0.000 1.093 328 I CA 1.776 63.059 61.300 -0.029 0.000 1.355 328 I CB -0.534 37.442 38.000 -0.039 0.000 1.046 328 I HN 0.224 nan 8.210 nan 0.000 0.413 329 G N -0.688 108.115 108.800 0.005 0.000 2.470 329 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.220 329 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.220 329 G C 1.294 176.202 174.900 0.013 0.000 1.121 329 G CA 0.986 46.093 45.100 0.011 0.000 0.766 329 G HN 0.463 nan 8.290 nan 0.000 0.553 330 D N 0.187 120.593 120.400 0.009 0.000 2.379 330 D HA 0.226 4.866 4.640 -0.001 0.000 0.208 330 D C 1.304 177.611 176.300 0.013 0.000 1.065 330 D CA 0.095 54.101 54.000 0.011 0.000 0.848 330 D CB 0.599 41.404 40.800 0.007 0.000 0.949 330 D HN 0.266 nan 8.370 nan 0.000 0.509 331 A N 1.253 124.079 122.820 0.010 0.000 2.409 331 A HA 0.103 4.422 4.320 -0.001 0.000 0.262 331 A C 0.885 178.482 177.584 0.022 0.000 1.113 331 A CA -0.180 51.862 52.037 0.009 0.000 0.790 331 A CB 0.641 19.641 19.000 -0.001 0.000 1.046 331 A HN -0.101 nan 8.150 nan 0.000 0.496 332 D N 1.335 121.749 120.400 0.023 0.000 2.213 332 D HA 0.089 4.729 4.640 -0.001 0.000 0.205 332 D C 0.209 176.528 176.300 0.033 0.000 0.961 332 D CA 1.456 55.475 54.000 0.033 0.000 0.853 332 D CB 0.230 41.049 40.800 0.031 0.000 0.967 332 D HN 0.579 nan 8.370 nan 0.000 0.496 333 I N 0.778 121.360 120.570 0.021 0.000 2.569 333 I HA 0.223 4.392 4.170 -0.001 0.000 0.290 333 I C -1.007 175.113 176.117 0.005 0.000 1.088 333 I CA -0.800 60.510 61.300 0.017 0.000 1.047 333 I CB 3.164 41.172 38.000 0.013 0.000 1.237 333 I HN -0.405 nan 8.210 nan 0.000 0.421 334 V N 6.410 126.329 119.914 0.008 0.000 2.531 334 V HA 0.502 4.622 4.120 -0.001 0.000 0.301 334 V C -0.456 175.638 176.094 0.000 0.000 1.034 334 V CA -0.668 61.630 62.300 -0.003 0.000 0.865 334 V CB 2.279 34.101 31.823 -0.002 0.000 0.995 334 V HN 0.421 nan 8.190 nan 0.000 0.424 335 V N 3.602 123.511 119.914 -0.009 0.000 2.483 335 V HA 0.487 4.606 4.120 -0.001 0.000 0.297 335 V C 0.221 176.311 176.094 -0.006 0.000 1.027 335 V CA -0.579 61.719 62.300 -0.004 0.000 0.855 335 V CB 2.218 34.036 31.823 -0.008 0.000 0.995 335 V HN 0.987 nan 8.190 nan 0.000 0.424 336 T N 1.446 116.002 114.554 0.004 0.000 2.771 336 T HA 0.703 5.052 4.350 -0.001 0.000 0.291 336 T C 0.280 174.987 174.700 0.011 0.000 0.954 336 T CA -0.017 62.087 62.100 0.006 0.000 1.045 336 T CB 1.677 70.553 68.868 0.014 0.000 0.917 336 T HN 0.984 nan 8.240 nan 0.000 0.484 337 A N 2.500 125.327 122.820 0.010 0.000 2.663 337 A HA 0.461 4.781 4.320 -0.001 0.000 0.273 337 A C 1.433 179.026 177.584 0.015 0.000 0.932 337 A CA -0.032 52.011 52.037 0.010 0.000 1.055 337 A CB -0.204 18.795 19.000 -0.001 0.000 1.206 337 A HN 0.964 nan 8.150 nan 0.000 0.485 338 T N -4.875 109.693 114.554 0.024 0.000 3.034 338 T HA 0.381 4.731 4.350 -0.001 0.000 0.248 338 T C 1.627 176.348 174.700 0.036 0.000 1.040 338 T CA 1.159 63.276 62.100 0.028 0.000 1.107 338 T CB -0.020 68.864 68.868 0.027 0.000 0.932 338 T HN 1.751 nan 8.240 nan 0.000 0.474 339 G N 1.699 110.529 108.800 0.049 0.000 2.155 339 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.257 339 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.257 339 G C 0.039 174.986 174.900 0.078 0.000 0.983 339 G CA 0.354 45.494 45.100 0.067 0.000 0.676 339 G HN 0.819 nan 8.290 nan 0.000 0.528 340 N N 0.350 119.088 118.700 0.063 0.000 2.741 340 N HA 0.687 5.427 4.740 -0.001 0.000 0.310 340 N C 0.213 175.756 175.510 0.055 0.000 1.295 340 N CA -0.248 52.833 53.050 0.050 0.000 0.893 340 N CB 1.042 39.548 38.487 0.031 0.000 1.247 340 N HN 0.576 nan 8.380 nan 0.000 0.596 341 K N -0.725 119.695 120.400 0.034 0.000 2.306 341 K HA 0.493 4.812 4.320 -0.001 0.000 0.236 341 K C -1.136 175.475 176.600 0.019 0.000 1.013 341 K CA -0.481 55.822 56.287 0.027 0.000 0.857 341 K CB 0.932 33.434 32.500 0.003 0.000 1.214 341 K HN 0.343 nan 8.250 nan 0.000 0.449 342 D N 0.372 120.784 120.400 0.019 0.000 2.746 342 D HA -0.132 4.508 4.640 -0.001 0.000 0.236 342 D C 0.613 176.942 176.300 0.049 0.000 1.129 342 D CA 0.596 54.611 54.000 0.025 0.000 0.691 342 D CB -0.841 39.965 40.800 0.010 0.000 1.077 342 D HN 0.532 nan 8.370 nan 0.000 0.432 343 I N -0.814 119.784 120.570 0.047 0.000 2.385 343 I HA -0.034 4.136 4.170 -0.001 0.000 0.244 343 I C 1.311 177.461 176.117 0.056 0.000 1.089 343 I CA 0.764 62.085 61.300 0.035 0.000 1.410 343 I CB -0.171 37.836 38.000 0.013 0.000 1.117 343 I HN 0.087 nan 8.210 nan 0.000 0.429 344 I N 3.268 123.889 120.570 0.086 0.000 2.337 344 I HA 0.288 4.458 4.170 -0.001 0.000 0.285 344 I C 0.093 176.323 176.117 0.189 0.000 1.041 344 I CA -0.287 61.115 61.300 0.170 0.000 1.199 344 I CB 0.912 38.951 38.000 0.065 0.000 1.370 344 I HN 0.021 nan 8.210 nan 0.000 0.470 345 M N 4.363 124.137 119.600 0.291 0.000 2.369 345 M HA 0.243 4.723 4.480 -0.001 0.000 0.291 345 M C 1.278 177.528 176.300 -0.084 0.000 1.178 345 M CA -0.828 54.465 55.300 -0.012 0.000 0.996 345 M CB 0.950 33.453 32.600 -0.161 0.000 1.472 345 M HN 0.410 nan 8.290 nan 0.000 0.496 346 L N 1.482 122.640 121.223 -0.107 0.000 2.043 346 L HA -0.213 4.127 4.340 -0.001 0.000 0.212 346 L C 2.140 178.911 176.870 -0.165 0.000 1.075 346 L CA 2.159 56.938 54.840 -0.101 0.000 0.752 346 L CB -0.757 41.254 42.059 -0.080 0.000 0.891 346 L HN 0.852 nan 8.230 nan 0.000 0.432 347 E N -1.346 118.708 120.200 -0.243 0.000 2.058 347 E HA -0.299 4.051 4.350 -0.001 0.000 0.194 347 E C 2.066 178.541 176.600 -0.207 0.000 0.997 347 E CA 1.833 58.072 56.400 -0.268 0.000 0.801 347 E CB -0.230 29.278 29.700 -0.321 0.000 0.746 347 E HN 0.777 nan 8.360 nan 0.000 0.450 348 H N -0.018 119.007 119.070 -0.075 0.000 2.353 348 H HA -0.107 4.449 4.556 -0.001 0.000 0.300 348 H C 2.270 177.559 175.328 -0.065 0.000 1.090 348 H CA 1.464 57.476 56.048 -0.060 0.000 1.327 348 H CB -0.057 29.682 29.762 -0.039 0.000 1.383 348 H HN 0.214 nan 8.280 nan 0.000 0.508 349 I N 1.017 121.615 120.570 0.047 0.000 2.226 349 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 349 I C 2.018 178.090 176.117 -0.076 0.000 1.100 349 I CA 1.310 62.632 61.300 0.037 0.000 1.374 349 I CB -0.241 37.809 38.000 0.083 0.000 1.057 349 I HN 0.214 nan 8.210 nan 0.000 0.413 350 K N 0.963 121.167 120.400 -0.326 0.000 2.362 350 K HA -0.062 4.257 4.320 -0.001 0.000 0.200 350 K C 2.039 178.487 176.600 -0.254 0.000 1.046 350 K CA 1.161 57.101 56.287 -0.577 0.000 0.952 350 K CB -0.106 32.004 32.500 -0.650 0.000 0.753 350 K HN 0.323 nan 8.250 nan 0.000 0.466 351 A N 0.836 123.587 122.820 -0.115 0.000 2.119 351 A HA 0.045 4.364 4.320 -0.001 0.000 0.216 351 A C 1.012 178.593 177.584 -0.005 0.000 1.152 351 A CA 0.282 52.295 52.037 -0.040 0.000 0.708 351 A CB -0.156 18.850 19.000 0.010 0.000 0.805 351 A HN 0.149 nan 8.150 nan 0.000 0.460 352 M N 1.232 120.838 119.600 0.011 0.000 2.242 352 M HA 0.171 4.651 4.480 -0.001 0.000 0.344 352 M C 0.490 176.824 176.300 0.056 0.000 1.140 352 M CA -0.215 55.110 55.300 0.042 0.000 1.160 352 M CB 0.911 33.551 32.600 0.066 0.000 1.491 352 M HN 0.368 nan 8.290 nan 0.000 0.459 353 K N 1.008 121.443 120.400 0.058 0.000 2.276 353 K HA 0.113 4.433 4.320 -0.001 0.000 0.259 353 K C -0.538 176.122 176.600 0.099 0.000 1.001 353 K CA -0.699 55.630 56.287 0.069 0.000 0.927 353 K CB 0.376 32.912 32.500 0.059 0.000 0.969 353 K HN 0.453 nan 8.250 nan 0.000 0.490 354 D N 0.957 121.427 120.400 0.117 0.000 2.450 354 D HA -0.082 4.557 4.640 -0.001 0.000 0.247 354 D C -0.196 176.241 176.300 0.229 0.000 1.162 354 D CA 0.863 54.963 54.000 0.166 0.000 0.879 354 D CB 0.003 40.914 40.800 0.185 0.000 1.163 354 D HN 0.778 nan 8.370 nan 0.000 0.472 355 H N 0.313 119.427 119.070 0.073 0.000 3.022 355 H HA -0.190 4.366 4.556 0.000 0.000 0.258 355 H C 0.066 175.428 175.328 0.056 0.000 1.212 355 H CA 0.550 56.634 56.048 0.060 0.000 1.126 355 H CB -1.573 28.215 29.762 0.043 0.000 1.267 355 H HN 0.519 nan 8.280 nan 0.000 0.345 356 A N 0.845 123.734 122.820 0.116 0.000 2.429 356 A HA 0.489 4.809 4.320 -0.001 0.000 0.242 356 A C 0.754 178.379 177.584 0.070 0.000 1.088 356 A CA 0.164 52.252 52.037 0.085 0.000 0.784 356 A CB 0.481 19.523 19.000 0.071 0.000 1.038 356 A HN 0.302 nan 8.150 nan 0.000 0.501 357 I N 0.536 121.141 120.570 0.059 0.000 2.404 357 I HA 0.410 4.580 4.170 -0.001 0.000 0.293 357 I C -0.734 175.411 176.117 0.045 0.000 0.992 357 I CA -0.520 60.812 61.300 0.053 0.000 1.149 357 I CB 1.722 39.751 38.000 0.048 0.000 1.315 357 I HN 0.541 nan 8.210 nan 0.000 0.446 358 L N 5.932 127.185 121.223 0.050 0.000 2.385 358 L HA 0.955 5.295 4.340 -0.001 0.000 0.273 358 L C -0.370 176.526 176.870 0.042 0.000 0.990 358 L CA 0.155 55.020 54.840 0.042 0.000 0.821 358 L CB 1.705 43.790 42.059 0.044 0.000 1.279 358 L HN 0.657 nan 8.230 nan 0.000 0.412 359 G N 2.545 111.365 108.800 0.033 0.000 2.684 359 G HA2 0.426 4.385 3.960 -0.001 0.000 0.290 359 G HA3 0.426 4.385 3.960 -0.001 0.000 0.290 359 G C -2.055 172.862 174.900 0.029 0.000 1.425 359 G CA -0.770 44.351 45.100 0.035 0.000 0.822 359 G HN 0.714 nan 8.290 nan 0.000 0.482 360 N N -0.628 118.093 118.700 0.034 0.000 2.284 360 N HA 0.523 5.262 4.740 -0.001 0.000 0.300 360 N C -0.192 175.331 175.510 0.021 0.000 1.047 360 N CA -0.785 52.282 53.050 0.029 0.000 0.821 360 N CB 2.016 40.525 38.487 0.037 0.000 1.337 360 N HN 0.350 nan 8.380 nan 0.000 0.482 361 I N 1.285 121.864 120.570 0.015 0.000 4.147 361 I HA 0.475 4.644 4.170 -0.001 0.000 0.329 361 I C 0.683 176.801 176.117 0.002 0.000 1.424 361 I CA -0.349 60.955 61.300 0.007 0.000 1.127 361 I CB -0.032 37.977 38.000 0.016 0.000 1.128 361 I HN 0.633 nan 8.210 nan 0.000 0.417 362 G N -0.844 107.963 108.800 0.011 0.000 2.572 362 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.261 362 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.261 362 G C 0.447 175.341 174.900 -0.011 0.000 1.197 362 G CA -0.001 45.111 45.100 0.020 0.000 0.870 362 G HN 0.418 nan 8.290 nan 0.000 0.548 363 H N 0.084 119.087 119.070 -0.113 0.000 2.319 363 H HA -0.036 4.520 4.556 -0.000 0.000 0.297 363 H C 0.136 175.262 175.328 -0.337 0.000 1.097 363 H CA 1.431 57.320 56.048 -0.265 0.000 1.285 363 H CB -0.069 29.430 29.762 -0.439 0.000 1.368 363 H HN 0.254 nan 8.280 nan 0.000 0.495 364 F N 0.479 120.441 119.950 0.019 0.000 2.470 364 F HA 0.158 4.685 4.527 -0.001 0.000 0.329 364 F C 1.388 177.170 175.800 -0.031 0.000 1.072 364 F CA -0.855 57.124 58.000 -0.035 0.000 0.989 364 F CB 1.187 40.214 39.000 0.046 0.000 1.193 364 F HN 0.234 nan 8.300 nan 0.000 0.481 365 D N 0.116 120.629 120.400 0.188 0.000 2.310 365 D HA -0.182 4.458 4.640 -0.001 0.000 0.212 365 D C 0.971 177.320 176.300 0.081 0.000 0.965 365 D CA 0.976 55.034 54.000 0.097 0.000 0.879 365 D CB -0.492 40.347 40.800 0.064 0.000 0.921 365 D HN 0.576 nan 8.370 nan 0.000 0.510 366 N N 1.529 120.284 118.700 0.092 0.000 2.585 366 N HA -0.189 4.551 4.740 -0.001 0.000 0.188 366 N C 1.200 176.738 175.510 0.047 0.000 1.102 366 N CA 0.547 53.624 53.050 0.045 0.000 0.920 366 N CB -0.509 37.981 38.487 0.005 0.000 0.963 366 N HN 0.369 nan 8.380 nan 0.000 0.447 367 E N 0.034 120.274 120.200 0.067 0.000 2.118 367 E HA -0.048 4.301 4.350 -0.001 0.000 0.195 367 E C 0.295 176.919 176.600 0.039 0.000 0.992 367 E CA 0.731 57.162 56.400 0.052 0.000 0.804 367 E CB 0.059 29.791 29.700 0.053 0.000 0.741 367 E HN 0.492 nan 8.360 nan 0.000 0.458 368 I N 1.505 122.095 120.570 0.035 0.000 2.437 368 I HA 0.050 4.220 4.170 -0.001 0.000 0.298 368 I C 0.096 176.218 176.117 0.008 0.000 0.984 368 I CA -0.647 60.667 61.300 0.023 0.000 1.214 368 I CB 1.355 39.366 38.000 0.018 0.000 1.365 368 I HN -0.203 nan 8.210 nan 0.000 0.469 369 D N 6.215 126.613 120.400 -0.003 0.000 2.671 369 D HA 0.075 4.715 4.640 -0.001 0.000 0.228 369 D C 1.094 177.360 176.300 -0.056 0.000 1.102 369 D CA 0.029 54.015 54.000 -0.024 0.000 1.044 369 D CB 0.475 41.259 40.800 -0.027 0.000 1.113 369 D HN 0.321 nan 8.370 nan 0.000 0.480 370 M N 0.912 120.483 119.600 -0.048 0.000 2.175 370 M HA -0.078 4.402 4.480 -0.001 0.000 0.264 370 M C 2.059 178.315 176.300 -0.073 0.000 1.063 370 M CA 0.801 56.056 55.300 -0.075 0.000 1.119 370 M CB -1.123 31.467 32.600 -0.016 0.000 1.377 370 M HN 0.411 nan 8.290 nan 0.000 0.415 371 A N 0.541 123.341 122.820 -0.034 0.000 1.883 371 A HA -0.050 4.270 4.320 -0.001 0.000 0.217 371 A C 2.459 180.021 177.584 -0.036 0.000 1.186 371 A CA 2.109 54.135 52.037 -0.019 0.000 0.624 371 A CB -1.480 17.517 19.000 -0.005 0.000 0.822 371 A HN 0.504 nan 8.150 nan 0.000 0.444 372 G N -0.320 108.451 108.800 -0.049 0.000 2.418 372 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.217 372 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.217 372 G C 1.493 176.350 174.900 -0.072 0.000 1.158 372 G CA 1.211 46.282 45.100 -0.049 0.000 0.771 372 G HN 0.495 nan 8.290 nan 0.000 0.545 373 L N 0.748 121.882 121.223 -0.148 0.000 2.017 373 L HA 0.010 4.349 4.340 -0.001 0.000 0.208 373 L C 2.592 179.241 176.870 -0.368 0.000 1.073 373 L CA 2.196 56.856 54.840 -0.300 0.000 0.745 373 L CB -0.700 41.027 42.059 -0.554 0.000 0.894 373 L HN 0.371 nan 8.230 nan 0.000 0.432 374 E N -0.880 119.165 120.200 -0.259 0.000 2.204 374 E HA -0.140 4.210 4.350 -0.001 0.000 0.194 374 E C 2.025 178.662 176.600 0.061 0.000 0.989 374 E CA 0.777 57.154 56.400 -0.039 0.000 0.824 374 E CB -0.047 29.701 29.700 0.080 0.000 0.756 374 E HN 0.467 nan 8.360 nan 0.000 0.477 375 R N 0.338 120.851 120.500 0.021 0.000 2.310 375 R HA 0.043 4.382 4.340 -0.001 0.000 0.202 375 R C 2.194 178.526 176.300 0.054 0.000 0.933 375 R CA 0.691 56.818 56.100 0.044 0.000 1.054 375 R CB 0.199 30.515 30.300 0.028 0.000 0.985 375 R HN 0.109 nan 8.270 nan 0.000 0.489 376 S N -0.562 115.172 115.700 0.057 0.000 2.453 376 S HA 0.006 4.476 4.470 -0.001 0.000 0.231 376 S C 1.599 176.271 174.600 0.120 0.000 1.005 376 S CA 0.806 59.061 58.200 0.091 0.000 0.949 376 S CB 0.216 63.503 63.200 0.144 0.000 0.774 376 S HN 0.449 nan 8.310 nan 0.000 0.510 377 G N 0.868 109.742 108.800 0.123 0.000 2.176 377 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.253 377 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.253 377 G C 0.297 175.280 174.900 0.137 0.000 0.979 377 G CA 0.044 45.217 45.100 0.122 0.000 0.641 377 G HN 1.351 nan 8.290 nan 0.000 0.530 378 A N 0.600 123.509 122.820 0.150 0.000 2.531 378 A HA 0.583 4.903 4.320 -0.001 0.000 0.236 378 A C 1.043 178.728 177.584 0.167 0.000 1.062 378 A CA 1.462 53.523 52.037 0.041 0.000 0.760 378 A CB 0.106 18.945 19.000 -0.268 0.000 0.995 378 A HN 1.863 nan 8.150 nan 0.000 0.501 379 T N 0.318 114.891 114.554 0.032 0.000 2.907 379 T HA 0.591 4.941 4.350 -0.001 0.000 0.284 379 T C -0.127 174.398 174.700 -0.292 0.000 1.004 379 T CA -0.745 61.315 62.100 -0.066 0.000 1.063 379 T CB 1.041 69.868 68.868 -0.070 0.000 0.992 379 T HN 0.741 nan 8.240 nan 0.000 0.483 380 R N 2.022 122.190 120.500 -0.552 0.000 2.387 380 R HA 0.605 4.945 4.340 -0.001 0.000 0.314 380 R C -1.618 174.350 176.300 -0.553 0.000 0.958 380 R CA -0.705 54.789 56.100 -1.009 0.000 0.846 380 R CB 1.274 30.643 30.300 -1.551 0.000 1.147 380 R HN 0.615 nan 8.270 nan 0.000 0.447 381 V N 5.056 124.688 119.914 -0.471 0.000 2.417 381 V HA 0.214 4.333 4.120 -0.001 0.000 0.291 381 V C 0.107 176.037 176.094 -0.273 0.000 1.024 381 V CA -0.966 61.164 62.300 -0.283 0.000 0.861 381 V CB 1.470 33.184 31.823 -0.182 0.000 0.985 381 V HN 0.768 nan 8.190 nan 0.000 0.436 382 N N 3.493 122.070 118.700 -0.205 0.000 2.470 382 N HA 0.150 4.890 4.740 -0.001 0.000 0.268 382 N C 0.607 176.055 175.510 -0.104 0.000 1.136 382 N CA -0.179 52.780 53.050 -0.151 0.000 0.961 382 N CB 1.967 40.386 38.487 -0.113 0.000 1.067 382 N HN 0.409 nan 8.380 nan 0.000 0.468 383 V N 4.077 123.940 119.914 -0.086 0.000 2.426 383 V HA -0.008 4.112 4.120 -0.001 0.000 0.242 383 V C 0.661 176.729 176.094 -0.044 0.000 1.036 383 V CA 1.285 63.552 62.300 -0.054 0.000 1.044 383 V CB -0.446 31.355 31.823 -0.037 0.000 0.688 383 V HN 0.846 nan 8.190 nan 0.000 0.462 384 K N -1.247 119.124 120.400 -0.049 0.000 2.735 384 K HA 0.329 4.649 4.320 -0.001 0.000 0.295 384 K C -3.409 173.156 176.600 -0.058 0.000 1.052 384 K CA -1.627 54.635 56.287 -0.042 0.000 0.853 384 K CB 0.832 33.315 32.500 -0.028 0.000 1.535 384 K HN -0.193 nan 8.250 nan 0.000 0.383 385 P HA 0.047 nan 4.420 nan 0.000 0.264 385 P C -0.947 176.266 177.300 -0.144 0.000 1.193 385 P CA 0.658 63.701 63.100 -0.096 0.000 0.763 385 P CB 0.441 32.101 31.700 -0.066 0.000 0.810 386 Q N -0.817 118.841 119.800 -0.236 0.000 2.452 386 Q HA -0.140 4.200 4.340 -0.001 0.000 0.248 386 Q C -0.746 175.188 176.000 -0.110 0.000 0.874 386 Q CA 0.996 56.641 55.803 -0.264 0.000 1.208 386 Q CB -2.219 26.332 28.738 -0.313 0.000 1.569 386 Q HN 0.265 nan 8.270 nan 0.000 0.579 387 V N 0.502 120.371 119.914 -0.075 0.000 2.524 387 V HA 0.530 4.650 4.120 -0.001 0.000 0.297 387 V C -0.409 175.662 176.094 -0.040 0.000 1.035 387 V CA -0.800 61.482 62.300 -0.031 0.000 0.867 387 V CB 2.155 33.964 31.823 -0.023 0.000 1.004 387 V HN 0.081 nan 8.190 nan 0.000 0.426 388 D N 3.704 124.097 120.400 -0.011 0.000 2.780 388 D HA 0.513 5.153 4.640 -0.001 0.000 0.242 388 D C -1.201 175.053 176.300 -0.077 0.000 1.135 388 D CA -0.476 53.469 54.000 -0.092 0.000 0.859 388 D CB 3.338 44.103 40.800 -0.059 0.000 1.530 388 D HN 0.364 nan 8.370 nan 0.000 0.493 389 L N 2.645 123.737 121.223 -0.219 0.000 2.280 389 L HA 0.454 4.794 4.340 -0.001 0.000 0.287 389 L C -1.622 175.070 176.870 -0.296 0.000 1.023 389 L CA -0.500 54.240 54.840 -0.166 0.000 0.819 389 L CB 0.799 42.770 42.059 -0.147 0.000 1.212 389 L HN 0.305 nan 8.230 nan 0.000 0.420 390 W N 3.982 125.171 121.300 -0.184 0.000 2.429 390 W HA 0.631 5.291 4.660 -0.001 0.000 0.314 390 W C -0.176 176.126 176.519 -0.360 0.000 1.062 390 W CA -0.441 56.739 57.345 -0.275 0.000 1.211 390 W CB 2.054 31.318 29.460 -0.326 0.000 1.305 390 W HN 0.393 nan 8.180 nan 0.000 0.476 391 T N 4.050 118.518 114.554 -0.144 0.000 2.792 391 T HA 0.411 4.761 4.350 -0.001 0.000 0.280 391 T C -0.907 173.668 174.700 -0.208 0.000 0.990 391 T CA -0.638 61.375 62.100 -0.145 0.000 0.960 391 T CB 0.390 69.224 68.868 -0.056 0.000 0.939 391 T HN -0.047 nan 8.240 nan 0.000 0.439 392 F N 2.028 122.034 119.950 0.093 0.000 2.421 392 F HA 0.412 4.938 4.527 -0.001 0.000 0.358 392 F C 1.628 177.460 175.800 0.053 0.000 1.115 392 F CA -0.769 57.274 58.000 0.072 0.000 1.160 392 F CB 0.703 39.734 39.000 0.052 0.000 1.123 392 F HN 0.778 nan 8.300 nan 0.000 0.508 393 G N 2.030 110.945 108.800 0.192 0.000 2.432 393 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.219 393 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.219 393 G C 1.361 176.328 174.900 0.111 0.000 1.135 393 G CA 1.034 46.206 45.100 0.120 0.000 0.767 393 G HN 0.676 nan 8.290 nan 0.000 0.550 394 D N 0.613 121.088 120.400 0.126 0.000 2.162 394 D HA -0.107 4.533 4.640 -0.001 0.000 0.203 394 D C 2.320 178.662 176.300 0.071 0.000 0.967 394 D CA 1.824 55.873 54.000 0.081 0.000 0.840 394 D CB -1.092 39.743 40.800 0.059 0.000 0.972 394 D HN 0.406 nan 8.370 nan 0.000 0.482 395 T N -4.444 110.168 114.554 0.096 0.000 3.037 395 T HA 0.363 4.713 4.350 -0.001 0.000 0.252 395 T C 1.879 176.638 174.700 0.099 0.000 1.073 395 T CA 0.695 62.842 62.100 0.079 0.000 1.091 395 T CB -0.049 68.855 68.868 0.060 0.000 0.935 395 T HN 0.402 nan 8.240 nan 0.000 0.488 396 G N 1.871 110.749 108.800 0.129 0.000 2.162 396 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.260 396 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.260 396 G C 0.173 175.152 174.900 0.131 0.000 0.976 396 G CA 0.071 45.239 45.100 0.114 0.000 0.655 396 G HN 0.689 nan 8.290 nan 0.000 0.533 397 R N 0.291 120.896 120.500 0.176 0.000 2.459 397 R HA 0.593 4.932 4.340 -0.001 0.000 0.281 397 R C -0.259 176.149 176.300 0.181 0.000 1.050 397 R CA -0.009 56.201 56.100 0.183 0.000 1.055 397 R CB 1.085 31.500 30.300 0.192 0.000 1.045 397 R HN 0.174 nan 8.270 nan 0.000 0.495 398 S N 2.558 118.302 115.700 0.074 0.000 2.473 398 S HA 0.473 4.943 4.470 -0.001 0.000 0.307 398 S C -0.497 174.050 174.600 -0.088 0.000 1.094 398 S CA -0.723 57.439 58.200 -0.063 0.000 1.070 398 S CB 1.166 64.226 63.200 -0.234 0.000 1.019 398 S HN 0.308 nan 8.310 nan 0.000 0.480 399 I N 3.043 123.621 120.570 0.013 0.000 2.412 399 I HA 0.430 4.599 4.170 -0.001 0.000 0.296 399 I C -0.306 175.843 176.117 0.053 0.000 0.987 399 I CA -0.887 60.448 61.300 0.058 0.000 1.180 399 I CB 1.453 39.546 38.000 0.155 0.000 1.340 399 I HN 0.565 nan 8.210 nan 0.000 0.455 400 I N 6.175 126.764 120.570 0.030 0.000 2.325 400 I HA 0.224 4.393 4.170 -0.001 0.000 0.291 400 I C -0.079 176.100 176.117 0.104 0.000 1.019 400 I CA -0.292 61.044 61.300 0.060 0.000 1.302 400 I CB 1.087 39.109 38.000 0.038 0.000 1.401 400 I HN 0.135 nan 8.210 nan 0.000 0.485 401 V N 7.555 127.569 119.914 0.166 0.000 2.435 401 V HA 0.418 4.538 4.120 -0.001 0.000 0.290 401 V C 0.075 176.240 176.094 0.118 0.000 1.030 401 V CA -0.716 61.674 62.300 0.151 0.000 0.881 401 V CB 1.618 33.565 31.823 0.207 0.000 0.983 401 V HN 0.449 nan 8.190 nan 0.000 0.445 402 L N 3.414 124.686 121.223 0.080 0.000 2.289 402 L HA 0.445 4.784 4.340 -0.001 0.000 0.285 402 L C 1.010 177.918 176.870 0.063 0.000 1.049 402 L CA -0.293 54.578 54.840 0.052 0.000 0.804 402 L CB 1.478 43.560 42.059 0.040 0.000 1.195 402 L HN 0.849 nan 8.230 nan 0.000 0.428 403 S N 1.353 117.064 115.700 0.019 0.000 3.476 403 S HA -0.197 4.273 4.470 -0.001 0.000 0.309 403 S C 0.616 175.348 174.600 0.220 0.000 1.222 403 S CA 1.175 59.393 58.200 0.030 0.000 0.922 403 S CB -1.196 62.077 63.200 0.121 0.000 1.023 403 S HN 0.947 nan 8.310 nan 0.000 0.591 404 E N -1.573 118.738 120.200 0.185 0.000 2.403 404 E HA -0.286 4.064 4.350 -0.001 0.000 0.241 404 E C 0.978 177.695 176.600 0.194 0.000 1.201 404 E CA 0.728 57.276 56.400 0.246 0.000 0.721 404 E CB -2.060 27.854 29.700 0.357 0.000 1.245 404 E HN 1.464 nan 8.360 nan 0.000 0.392 405 G N -0.450 108.436 108.800 0.143 0.000 2.179 405 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.260 405 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.260 405 G C 0.362 175.322 174.900 0.101 0.000 0.977 405 G CA 0.573 45.733 45.100 0.100 0.000 0.641 405 G HN 0.229 nan 8.290 nan 0.000 0.533 406 R N 0.092 120.683 120.500 0.151 0.000 2.560 406 R HA 0.585 4.925 4.340 -0.001 0.000 0.270 406 R C 0.927 177.273 176.300 0.078 0.000 1.074 406 R CA -0.672 55.491 56.100 0.106 0.000 1.140 406 R CB 0.170 30.557 30.300 0.144 0.000 1.073 406 R HN 0.499 nan 8.270 nan 0.000 0.527 407 L N 2.483 123.708 121.223 0.003 0.000 2.700 407 L HA 0.003 4.343 4.340 -0.001 0.000 0.276 407 L C 0.769 177.643 176.870 0.006 0.000 1.200 407 L CA 0.310 55.135 54.840 -0.024 0.000 0.951 407 L CB -1.364 40.635 42.059 -0.100 0.000 1.226 407 L HN 0.730 nan 8.230 nan 0.000 0.489 408 L N 1.406 122.640 121.223 0.019 0.000 2.240 408 L HA 0.018 4.357 4.340 -0.001 0.000 0.211 408 L C 2.142 179.025 176.870 0.022 0.000 1.106 408 L CA 1.427 56.286 54.840 0.031 0.000 0.793 408 L CB -1.038 41.041 42.059 0.033 0.000 0.927 408 L HN 0.753 nan 8.230 nan 0.000 0.446 409 N N 1.514 120.220 118.700 0.009 0.000 2.084 409 N HA -0.222 4.518 4.740 -0.001 0.000 0.190 409 N C 1.729 177.241 175.510 0.003 0.000 1.030 409 N CA 2.282 55.344 53.050 0.020 0.000 0.849 409 N CB -0.966 37.544 38.487 0.039 0.000 1.012 409 N HN 0.516 nan 8.380 nan 0.000 0.423 410 L N -0.140 121.051 121.223 -0.055 0.000 2.179 410 L HA 0.151 4.491 4.340 -0.001 0.000 0.208 410 L C 2.646 179.536 176.870 0.032 0.000 1.096 410 L CA 1.107 55.914 54.840 -0.055 0.000 0.779 410 L CB -0.527 41.404 42.059 -0.213 0.000 0.922 410 L HN 0.349 nan 8.230 nan 0.000 0.443 411 G N -0.669 108.165 108.800 0.057 0.000 2.396 411 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.214 411 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.214 411 G C 1.372 176.292 174.900 0.032 0.000 1.166 411 G CA 0.300 45.462 45.100 0.105 0.000 0.793 411 G HN 0.284 nan 8.290 nan 0.000 0.533 412 N N 0.286 119.000 118.700 0.024 0.000 2.325 412 N HA 0.296 5.036 4.740 -0.001 0.000 0.182 412 N C 0.933 176.460 175.510 0.029 0.000 1.088 412 N CA 0.667 53.723 53.050 0.010 0.000 0.879 412 N CB 0.978 39.470 38.487 0.008 0.000 0.983 412 N HN 0.395 nan 8.380 nan 0.000 0.471 413 A N 0.222 123.068 122.820 0.044 0.000 3.955 413 A HA 0.424 4.743 4.320 -0.001 0.000 0.175 413 A C 0.603 178.231 177.584 0.074 0.000 0.682 413 A CA 0.121 52.195 52.037 0.061 0.000 0.834 413 A CB -0.074 18.965 19.000 0.067 0.000 1.657 413 A HN 0.102 nan 8.150 nan 0.000 0.820 414 T N -2.512 112.096 114.554 0.089 0.000 3.132 414 T HA 0.522 4.872 4.350 -0.001 0.000 0.274 414 T C 1.050 175.789 174.700 0.064 0.000 1.011 414 T CA 1.220 63.374 62.100 0.090 0.000 0.899 414 T CB -0.417 68.519 68.868 0.113 0.000 1.089 414 T HN 2.555 nan 8.240 nan 0.000 0.543 415 G N 1.653 110.478 108.800 0.042 0.000 2.645 415 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.239 415 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.239 415 G C -0.505 174.459 174.900 0.107 0.000 1.331 415 G CA -0.510 44.578 45.100 -0.020 0.000 0.890 415 G HN 0.807 nan 8.290 nan 0.000 0.572 416 H N 1.882 120.952 119.070 -0.001 0.000 2.771 416 H HA 0.325 4.881 4.556 -0.001 0.000 0.364 416 H C -1.587 173.692 175.328 -0.082 0.000 1.133 416 H CA -0.434 55.597 56.048 -0.028 0.000 1.423 416 H CB 0.566 30.294 29.762 -0.057 0.000 1.425 416 H HN 0.477 nan 8.280 nan 0.000 0.606 417 P HA -0.003 nan 4.420 nan 0.000 0.274 417 P C 0.259 177.541 177.300 -0.029 0.000 1.231 417 P CA -0.195 62.817 63.100 -0.148 0.000 0.790 417 P CB 1.183 32.624 31.700 -0.431 0.000 0.951 418 S N 1.285 116.993 115.700 0.013 0.000 2.378 418 S HA -0.244 4.226 4.470 -0.001 0.000 0.229 418 S C 1.535 176.166 174.600 0.051 0.000 1.052 418 S CA 1.579 59.804 58.200 0.042 0.000 1.084 418 S CB -1.235 62.011 63.200 0.076 0.000 0.950 418 S HN 0.548 nan 8.310 nan 0.000 0.440 419 F N 1.667 121.606 119.950 -0.018 0.000 2.202 419 F HA -0.142 4.385 4.527 -0.000 0.000 0.301 419 F C 2.171 177.949 175.800 -0.037 0.000 1.082 419 F CA 0.936 58.944 58.000 0.014 0.000 1.313 419 F CB -0.230 38.782 39.000 0.019 0.000 1.024 419 F HN -0.020 nan 8.300 nan 0.000 0.495 420 V N -0.293 119.643 119.914 0.037 0.000 2.323 420 V HA -0.292 3.827 4.120 -0.001 0.000 0.244 420 V C 2.314 178.304 176.094 -0.172 0.000 1.041 420 V CA 1.526 63.797 62.300 -0.048 0.000 1.025 420 V CB -0.441 31.366 31.823 -0.026 0.000 0.656 420 V HN 0.234 nan 8.190 nan 0.000 0.451 421 M N -0.285 119.198 119.600 -0.194 0.000 2.374 421 M HA -0.077 4.403 4.480 -0.001 0.000 0.264 421 M C 2.403 178.449 176.300 -0.424 0.000 1.067 421 M CA 1.369 56.405 55.300 -0.440 0.000 1.103 421 M CB -1.650 30.661 32.600 -0.481 0.000 1.402 421 M HN 0.432 nan 8.290 nan 0.000 0.444 422 S N 0.651 116.213 115.700 -0.231 0.000 2.399 422 S HA -0.144 4.325 4.470 -0.001 0.000 0.231 422 S C 1.741 176.266 174.600 -0.124 0.000 1.022 422 S CA 1.511 59.654 58.200 -0.096 0.000 0.983 422 S CB -0.070 63.093 63.200 -0.061 0.000 0.803 422 S HN 0.455 nan 8.310 nan 0.000 0.480 423 N N 1.249 119.713 118.700 -0.394 0.000 2.039 423 N HA -0.011 4.728 4.740 -0.001 0.000 0.193 423 N C 1.981 177.389 175.510 -0.170 0.000 1.044 423 N CA 1.857 54.661 53.050 -0.411 0.000 0.847 423 N CB -0.634 37.569 38.487 -0.473 0.000 1.030 423 N HN 0.366 nan 8.380 nan 0.000 0.422 424 S N 0.070 115.660 115.700 -0.182 0.000 2.370 424 S HA -0.082 4.387 4.470 -0.001 0.000 0.226 424 S C 1.556 176.225 174.600 0.114 0.000 1.033 424 S CA 0.956 59.100 58.200 -0.094 0.000 1.011 424 S CB -0.372 62.688 63.200 -0.233 0.000 0.852 424 S HN 0.248 nan 8.310 nan 0.000 0.457 425 F N 1.471 121.420 119.950 -0.002 0.000 2.416 425 F HA 0.357 4.884 4.527 -0.001 0.000 0.296 425 F C 2.523 178.321 175.800 -0.004 0.000 1.099 425 F CA -0.477 57.526 58.000 0.004 0.000 1.427 425 F CB -1.397 37.602 39.000 -0.001 0.000 1.079 425 F HN 0.174 nan 8.300 nan 0.000 0.536 426 A N 0.515 123.438 122.820 0.172 0.000 1.933 426 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 426 A C 2.020 179.651 177.584 0.078 0.000 1.175 426 A CA 2.041 54.141 52.037 0.104 0.000 0.628 426 A CB -1.074 17.988 19.000 0.103 0.000 0.814 426 A HN 0.410 nan 8.150 nan 0.000 0.444 427 N N -0.968 117.775 118.700 0.073 0.000 2.142 427 N HA -0.156 4.584 4.740 -0.001 0.000 0.186 427 N C 1.936 177.486 175.510 0.066 0.000 1.023 427 N CA 1.391 54.475 53.050 0.055 0.000 0.852 427 N CB -0.206 38.307 38.487 0.044 0.000 0.998 427 N HN 0.520 nan 8.380 nan 0.000 0.424 428 Q N 0.389 120.257 119.800 0.113 0.000 2.077 428 Q HA -0.114 4.225 4.340 -0.001 0.000 0.206 428 Q C 1.708 177.730 176.000 0.036 0.000 0.989 428 Q CA 1.863 57.724 55.803 0.096 0.000 0.853 428 Q CB -0.483 28.358 28.738 0.172 0.000 0.907 428 Q HN 0.292 nan 8.270 nan 0.000 0.418 429 T N 0.260 114.832 114.554 0.029 0.000 2.777 429 T HA -0.041 4.309 4.350 -0.001 0.000 0.266 429 T C 1.745 176.409 174.700 -0.060 0.000 1.040 429 T CA 1.234 63.318 62.100 -0.027 0.000 1.141 429 T CB -0.211 68.641 68.868 -0.027 0.000 0.868 429 T HN 0.243 nan 8.240 nan 0.000 0.444 430 I N 1.446 121.998 120.570 -0.031 0.000 2.163 430 I HA -0.224 3.946 4.170 -0.001 0.000 0.243 430 I C 2.931 179.034 176.117 -0.024 0.000 1.085 430 I CA 1.260 62.539 61.300 -0.035 0.000 1.347 430 I CB -0.493 37.512 38.000 0.008 0.000 1.044 430 I HN 0.196 nan 8.210 nan 0.000 0.408 431 A N 0.025 122.842 122.820 -0.005 0.000 1.908 431 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 431 A C 2.282 179.848 177.584 -0.031 0.000 1.181 431 A CA 1.441 53.473 52.037 -0.008 0.000 0.627 431 A CB -0.536 18.467 19.000 0.005 0.000 0.818 431 A HN 0.418 nan 8.150 nan 0.000 0.445 432 Q N -0.286 119.494 119.800 -0.033 0.000 2.061 432 Q HA -0.169 4.171 4.340 -0.001 0.000 0.204 432 Q C 2.201 178.199 176.000 -0.004 0.000 0.984 432 Q CA 1.686 57.467 55.803 -0.036 0.000 0.846 432 Q CB -0.477 28.224 28.738 -0.061 0.000 0.902 432 Q HN 0.787 nan 8.270 nan 0.000 0.421 433 I N 1.000 121.543 120.570 -0.046 0.000 2.163 433 I HA -0.263 3.907 4.170 -0.001 0.000 0.243 433 I C 2.297 178.439 176.117 0.042 0.000 1.085 433 I CA 1.071 62.346 61.300 -0.041 0.000 1.347 433 I CB -0.254 37.608 38.000 -0.229 0.000 1.044 433 I HN 0.148 nan 8.210 nan 0.000 0.408 434 E N 0.424 120.643 120.200 0.030 0.000 2.047 434 E HA -0.206 4.144 4.350 -0.001 0.000 0.191 434 E C 2.148 178.799 176.600 0.085 0.000 0.987 434 E CA 1.159 57.611 56.400 0.088 0.000 0.799 434 E CB -0.440 29.326 29.700 0.110 0.000 0.752 434 E HN 0.279 nan 8.360 nan 0.000 0.449 435 L N 0.418 121.609 121.223 -0.054 0.000 2.141 435 L HA -0.079 4.261 4.340 -0.001 0.000 0.209 435 L C 2.023 178.895 176.870 0.003 0.000 1.094 435 L CA 1.402 56.114 54.840 -0.214 0.000 0.763 435 L CB -0.537 41.366 42.059 -0.259 0.000 0.908 435 L HN 0.290 nan 8.230 nan 0.000 0.437 436 W N -0.179 121.059 121.300 -0.104 0.000 2.441 436 W HA -0.197 4.463 4.660 -0.000 0.000 0.302 436 W C 2.138 178.638 176.519 -0.032 0.000 1.191 436 W CA 1.857 59.155 57.345 -0.077 0.000 1.327 436 W CB -0.124 29.285 29.460 -0.084 0.000 1.128 436 W HN 0.375 nan 8.180 nan 0.000 0.522 437 T N -1.603 112.952 114.554 0.003 0.000 3.067 437 T HA 0.046 4.396 4.350 -0.001 0.000 0.261 437 T C 1.048 175.705 174.700 -0.071 0.000 1.110 437 T CA 0.631 62.684 62.100 -0.080 0.000 1.113 437 T CB -0.129 68.767 68.868 0.046 0.000 0.917 437 T HN 0.029 nan 8.240 nan 0.000 0.499 438 K N 0.870 121.277 120.400 0.011 0.000 2.792 438 K HA 0.318 4.638 4.320 -0.001 0.000 0.207 438 K C 1.260 177.948 176.600 0.146 0.000 1.103 438 K CA -0.280 56.041 56.287 0.057 0.000 1.048 438 K CB 0.169 32.729 32.500 0.099 0.000 0.777 438 K HN 0.178 nan 8.250 nan 0.000 0.468 439 N N 1.833 120.558 118.700 0.040 0.000 2.192 439 N HA -0.200 4.540 4.740 -0.001 0.000 0.188 439 N C 0.550 176.134 175.510 0.122 0.000 1.013 439 N CA 1.412 54.507 53.050 0.074 0.000 0.863 439 N CB 0.262 38.682 38.487 -0.111 0.000 0.990 439 N HN 0.290 nan 8.380 nan 0.000 0.430 440 D N 0.497 120.910 120.400 0.023 0.000 2.269 440 D HA -0.081 4.559 4.640 -0.001 0.000 0.208 440 D C 0.966 177.253 176.300 -0.021 0.000 0.963 440 D CA 0.696 54.694 54.000 -0.002 0.000 0.864 440 D CB -0.019 40.759 40.800 -0.037 0.000 0.936 440 D HN 0.483 nan 8.370 nan 0.000 0.505 441 E N -0.668 119.485 120.200 -0.078 0.000 2.482 441 E HA -0.036 4.313 4.350 -0.001 0.000 0.196 441 E C -0.248 176.123 176.600 -0.383 0.000 1.047 441 E CA 0.234 56.487 56.400 -0.246 0.000 0.869 441 E CB 0.251 29.738 29.700 -0.356 0.000 0.836 441 E HN 0.325 nan 8.360 nan 0.000 0.520 442 Y N 0.532 120.762 120.300 -0.116 0.000 2.420 442 Y HA 0.257 4.806 4.550 -0.001 0.000 0.334 442 Y C 0.594 176.531 175.900 0.060 0.000 1.094 442 Y CA -1.090 56.927 58.100 -0.139 0.000 1.126 442 Y CB 1.207 39.533 38.460 -0.224 0.000 1.217 442 Y HN -0.181 nan 8.280 nan 0.000 0.462 443 D N 0.305 120.947 120.400 0.402 0.000 2.487 443 D HA 0.137 4.776 4.640 -0.001 0.000 0.262 443 D C -0.596 175.900 176.300 0.327 0.000 1.130 443 D CA -0.544 53.639 54.000 0.306 0.000 1.038 443 D CB 0.865 41.810 40.800 0.241 0.000 1.142 443 D HN 0.488 nan 8.370 nan 0.000 0.575 444 N N 1.351 120.160 118.700 0.182 0.000 3.193 444 N HA 0.074 4.814 4.740 -0.001 0.000 0.312 444 N C -0.472 175.087 175.510 0.082 0.000 1.261 444 N CA 0.315 53.437 53.050 0.119 0.000 1.208 444 N CB 0.093 38.601 38.487 0.035 0.000 1.471 444 N HN 0.302 nan 8.380 nan 0.000 0.548 445 E N -1.157 119.114 120.200 0.118 0.000 2.393 445 E HA 0.474 4.824 4.350 -0.001 0.000 0.265 445 E C -0.660 175.889 176.600 -0.085 0.000 0.941 445 E CA -1.076 55.287 56.400 -0.061 0.000 0.801 445 E CB 1.723 31.242 29.700 -0.301 0.000 1.313 445 E HN -0.147 nan 8.360 nan 0.000 0.435 446 V N 1.827 121.651 119.914 -0.150 0.000 2.432 446 V HA 0.270 4.390 4.120 -0.001 0.000 0.275 446 V C -1.015 174.972 176.094 -0.179 0.000 1.043 446 V CA -0.323 61.925 62.300 -0.087 0.000 0.925 446 V CB -0.347 31.390 31.823 -0.144 0.000 0.985 446 V HN 0.494 nan 8.190 nan 0.000 0.466 447 Y N 3.523 123.901 120.300 0.130 0.000 2.549 447 Y HA 0.709 5.259 4.550 -0.001 0.000 0.339 447 Y C 0.540 176.521 175.900 0.135 0.000 1.053 447 Y CA -0.942 57.258 58.100 0.167 0.000 1.105 447 Y CB 1.780 40.388 38.460 0.246 0.000 1.258 447 Y HN 0.467 nan 8.280 nan 0.000 0.478 448 R N 0.852 121.529 120.500 0.296 0.000 2.828 448 R HA 0.590 4.929 4.340 -0.001 0.000 0.264 448 R C -1.159 175.258 176.300 0.195 0.000 1.022 448 R CA -1.080 55.144 56.100 0.206 0.000 1.021 448 R CB 1.366 31.769 30.300 0.171 0.000 1.163 448 R HN 0.531 nan 8.270 nan 0.000 0.494 449 L N 3.084 124.385 121.223 0.130 0.000 2.439 449 L HA 0.226 4.566 4.340 -0.001 0.000 0.269 449 L C -1.640 175.270 176.870 0.067 0.000 1.179 449 L CA -1.628 53.263 54.840 0.086 0.000 0.828 449 L CB 0.175 42.256 42.059 0.037 0.000 1.106 449 L HN 0.346 nan 8.230 nan 0.000 0.467 450 P HA 0.003 nan 4.420 nan 0.000 0.269 450 P C 0.006 177.280 177.300 -0.043 0.000 1.215 450 P CA -0.371 62.743 63.100 0.024 0.000 0.780 450 P CB 0.858 32.575 31.700 0.027 0.000 0.898 451 K N 1.464 121.897 120.400 0.054 0.000 2.103 451 K HA -0.217 4.103 4.320 -0.001 0.000 0.207 451 K C 2.094 178.721 176.600 0.044 0.000 1.048 451 K CA 1.448 57.782 56.287 0.079 0.000 0.930 451 K CB -0.372 32.213 32.500 0.141 0.000 0.716 451 K HN 0.614 nan 8.250 nan 0.000 0.444 452 H N 0.147 119.244 119.070 0.045 0.000 2.456 452 H HA -0.112 4.444 4.556 -0.001 0.000 0.296 452 H C 1.870 177.226 175.328 0.046 0.000 1.079 452 H CA 1.211 57.274 56.048 0.025 0.000 1.322 452 H CB -0.333 29.428 29.762 -0.002 0.000 1.388 452 H HN 0.251 nan 8.280 nan 0.000 0.538 453 L N 0.530 121.483 121.223 -0.451 0.000 2.131 453 L HA -0.079 4.261 4.340 -0.001 0.000 0.206 453 L C 2.113 178.941 176.870 -0.070 0.000 1.087 453 L CA 0.899 55.602 54.840 -0.228 0.000 0.767 453 L CB -0.191 41.711 42.059 -0.262 0.000 0.917 453 L HN 0.111 nan 8.230 nan 0.000 0.441 454 D N 0.249 120.615 120.400 -0.056 0.000 2.144 454 D HA -0.171 4.468 4.640 -0.001 0.000 0.199 454 D C 2.099 178.396 176.300 -0.006 0.000 0.984 454 D CA 1.048 55.033 54.000 -0.025 0.000 0.834 454 D CB 0.064 40.854 40.800 -0.017 0.000 0.955 454 D HN 0.337 nan 8.370 nan 0.000 0.465 455 E N 0.452 120.676 120.200 0.040 0.000 2.072 455 E HA -0.158 4.192 4.350 -0.001 0.000 0.191 455 E C 1.963 178.614 176.600 0.085 0.000 0.985 455 E CA 0.603 57.059 56.400 0.094 0.000 0.801 455 E CB 0.041 29.839 29.700 0.164 0.000 0.750 455 E HN 0.179 nan 8.360 nan 0.000 0.452 456 K N 1.041 121.487 120.400 0.076 0.000 2.020 456 K HA -0.207 4.113 4.320 -0.001 0.000 0.212 456 K C 2.119 178.753 176.600 0.056 0.000 1.050 456 K CA 1.592 57.923 56.287 0.073 0.000 0.929 456 K CB -0.138 32.408 32.500 0.077 0.000 0.714 456 K HN -0.021 nan 8.250 nan 0.000 0.443 457 V N 1.243 121.182 119.914 0.042 0.000 2.255 457 V HA -0.286 3.834 4.120 -0.001 0.000 0.247 457 V C 2.519 178.672 176.094 0.098 0.000 1.051 457 V CA 2.092 64.429 62.300 0.062 0.000 1.018 457 V CB -0.878 30.950 31.823 0.009 0.000 0.641 457 V HN 0.545 nan 8.190 nan 0.000 0.445 458 A N -0.145 122.667 122.820 -0.012 0.000 1.883 458 A HA -0.304 4.016 4.320 -0.001 0.000 0.217 458 A C 2.404 180.016 177.584 0.047 0.000 1.186 458 A CA 2.293 54.296 52.037 -0.056 0.000 0.624 458 A CB -0.660 18.279 19.000 -0.101 0.000 0.822 458 A HN 0.494 nan 8.150 nan 0.000 0.444 459 R N -0.394 120.143 120.500 0.061 0.000 2.103 459 R HA -0.145 4.195 4.340 -0.001 0.000 0.242 459 R C 1.937 178.263 176.300 0.043 0.000 1.142 459 R CA 1.906 58.046 56.100 0.066 0.000 0.960 459 R CB -0.453 29.894 30.300 0.078 0.000 0.858 459 R HN 0.575 nan 8.270 nan 0.000 0.439 460 I N -0.433 120.140 120.570 0.006 0.000 2.286 460 I HA -0.278 3.892 4.170 -0.001 0.000 0.248 460 I C 1.793 177.816 176.117 -0.156 0.000 1.115 460 I CA 1.591 62.827 61.300 -0.106 0.000 1.392 460 I CB -0.215 37.658 38.000 -0.212 0.000 1.065 460 I HN 0.304 nan 8.210 nan 0.000 0.418 461 H N -0.937 118.121 119.070 -0.019 0.000 2.415 461 H HA -0.023 4.533 4.556 -0.001 0.000 0.297 461 H C 2.243 177.675 175.328 0.172 0.000 1.048 461 H CA 1.003 57.088 56.048 0.062 0.000 1.365 461 H CB -0.201 29.497 29.762 -0.107 0.000 1.421 461 H HN 0.011 nan 8.280 nan 0.000 0.533 462 V N 0.962 120.982 119.914 0.177 0.000 2.255 462 V HA -0.306 3.814 4.120 -0.001 0.000 0.247 462 V C 2.400 178.546 176.094 0.086 0.000 1.051 462 V CA 2.307 64.675 62.300 0.114 0.000 1.018 462 V CB -0.448 31.422 31.823 0.078 0.000 0.641 462 V HN 0.432 nan 8.190 nan 0.000 0.445 463 E N 0.645 120.891 120.200 0.076 0.000 2.065 463 E HA -0.285 4.065 4.350 -0.001 0.000 0.201 463 E C 2.091 178.732 176.600 0.069 0.000 1.016 463 E CA 2.126 58.566 56.400 0.067 0.000 0.818 463 E CB -0.526 29.204 29.700 0.049 0.000 0.749 463 E HN 0.536 nan 8.360 nan 0.000 0.453 464 A N 0.340 123.217 122.820 0.095 0.000 1.933 464 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 464 A C 2.214 179.852 177.584 0.091 0.000 1.175 464 A CA 1.485 53.600 52.037 0.130 0.000 0.628 464 A CB -0.630 18.518 19.000 0.246 0.000 0.814 464 A HN 0.373 nan 8.150 nan 0.000 0.444 465 L N -1.305 119.961 121.223 0.072 0.000 2.610 465 L HA 0.150 4.490 4.340 -0.001 0.000 0.232 465 L C 1.680 178.510 176.870 -0.068 0.000 1.149 465 L CA 0.539 55.343 54.840 -0.059 0.000 0.872 465 L CB -0.275 41.731 42.059 -0.088 0.000 0.992 465 L HN 0.614 nan 8.230 nan 0.000 0.447 466 G N -0.240 108.533 108.800 -0.045 0.000 2.157 466 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.248 466 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.248 466 G C 0.578 175.308 174.900 -0.283 0.000 0.979 466 G CA -0.214 44.820 45.100 -0.110 0.000 0.650 466 G HN 0.509 nan 8.290 nan 0.000 0.529 467 G N -0.497 108.201 108.800 -0.170 0.000 2.441 467 G HA2 0.472 4.432 3.960 -0.001 0.000 0.243 467 G HA3 0.472 4.432 3.960 -0.001 0.000 0.243 467 G C -0.361 174.450 174.900 -0.149 0.000 1.281 467 G CA -0.134 44.857 45.100 -0.181 0.000 0.854 467 G HN 0.624 nan 8.290 nan 0.000 0.560 468 H N 1.500 120.579 119.070 0.015 0.000 2.638 468 H HA 0.254 4.810 4.556 -0.000 0.000 0.303 468 H C 0.198 175.531 175.328 0.008 0.000 1.034 468 H CA -0.872 55.183 56.048 0.012 0.000 1.225 468 H CB 1.305 31.072 29.762 0.008 0.000 1.394 468 H HN 0.206 nan 8.280 nan 0.000 0.477 469 L N 2.872 124.171 121.223 0.127 0.000 2.416 469 L HA 0.094 4.434 4.340 -0.001 0.000 0.272 469 L C 0.535 177.430 176.870 0.040 0.000 1.161 469 L CA 0.063 54.938 54.840 0.057 0.000 0.845 469 L CB 0.797 42.879 42.059 0.039 0.000 1.119 469 L HN 0.638 nan 8.230 nan 0.000 0.464 470 T N 3.143 117.702 114.554 0.008 0.000 2.897 470 T HA 0.163 4.512 4.350 -0.001 0.000 0.294 470 T C 0.007 174.697 174.700 -0.018 0.000 1.004 470 T CA -0.382 61.717 62.100 -0.002 0.000 1.106 470 T CB 1.114 69.978 68.868 -0.008 0.000 0.949 470 T HN 0.393 nan 8.240 nan 0.000 0.520 471 K N 3.260 123.659 120.400 -0.001 0.000 2.213 471 K HA 0.429 4.749 4.320 -0.001 0.000 0.270 471 K C -0.438 176.172 176.600 0.017 0.000 1.002 471 K CA -0.660 55.636 56.287 0.015 0.000 0.868 471 K CB 0.502 33.018 32.500 0.027 0.000 1.093 471 K HN 0.494 nan 8.250 nan 0.000 0.454 472 L N 4.043 125.287 121.223 0.035 0.000 2.453 472 L HA 0.075 4.414 4.340 -0.001 0.000 0.272 472 L C 0.828 177.725 176.870 0.045 0.000 1.182 472 L CA -0.190 54.678 54.840 0.046 0.000 0.858 472 L CB 0.629 42.742 42.059 0.090 0.000 1.120 472 L HN 0.843 nan 8.230 nan 0.000 0.474 473 T N -0.785 113.788 114.554 0.032 0.000 2.860 473 T HA 0.057 4.407 4.350 -0.001 0.000 0.299 473 T C 1.028 175.752 174.700 0.039 0.000 1.045 473 T CA -0.618 61.498 62.100 0.027 0.000 1.071 473 T CB 1.083 69.959 68.868 0.012 0.000 0.985 473 T HN 0.717 nan 8.240 nan 0.000 0.537 474 K N 0.657 121.077 120.400 0.034 0.000 2.074 474 K HA -0.260 4.059 4.320 -0.001 0.000 0.209 474 K C 2.159 178.786 176.600 0.044 0.000 1.048 474 K CA 2.058 58.368 56.287 0.037 0.000 0.926 474 K CB -0.205 32.312 32.500 0.027 0.000 0.713 474 K HN 0.850 nan 8.250 nan 0.000 0.444 475 E N 0.333 120.554 120.200 0.035 0.000 2.031 475 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 475 E C 2.186 178.825 176.600 0.064 0.000 0.994 475 E CA 1.621 58.043 56.400 0.037 0.000 0.800 475 E CB 0.045 29.749 29.700 0.007 0.000 0.752 475 E HN 0.399 nan 8.360 nan 0.000 0.447 476 Q N -0.226 119.603 119.800 0.048 0.000 2.096 476 Q HA -0.211 4.129 4.340 -0.001 0.000 0.204 476 Q C 2.182 178.267 176.000 0.142 0.000 0.982 476 Q CA 1.533 57.386 55.803 0.084 0.000 0.850 476 Q CB -0.207 28.559 28.738 0.047 0.000 0.901 476 Q HN 0.333 nan 8.270 nan 0.000 0.422 477 A N 0.944 123.829 122.820 0.109 0.000 1.902 477 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 477 A C 1.902 179.547 177.584 0.101 0.000 1.181 477 A CA 1.559 53.663 52.037 0.111 0.000 0.623 477 A CB -0.502 18.554 19.000 0.093 0.000 0.818 477 A HN 0.418 nan 8.150 nan 0.000 0.443 478 E N -1.593 118.666 120.200 0.098 0.000 2.085 478 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 478 E C 1.801 178.472 176.600 0.119 0.000 0.994 478 E CA 1.464 57.918 56.400 0.090 0.000 0.801 478 E CB -0.309 29.441 29.700 0.083 0.000 0.743 478 E HN 0.704 nan 8.360 nan 0.000 0.453 479 Y N 0.722 121.034 120.300 0.019 0.000 2.224 479 Y HA -0.155 4.394 4.550 -0.001 0.000 0.289 479 Y C 1.749 177.660 175.900 0.019 0.000 1.146 479 Y CA 1.516 59.627 58.100 0.018 0.000 1.182 479 Y CB 0.048 38.518 38.460 0.016 0.000 0.983 479 Y HN 0.051 nan 8.280 nan 0.000 0.524 480 L N -1.100 120.176 121.223 0.088 0.000 2.509 480 L HA 0.185 4.524 4.340 -0.001 0.000 0.222 480 L C 1.540 178.405 176.870 -0.009 0.000 1.123 480 L CA 0.673 55.522 54.840 0.016 0.000 0.856 480 L CB -0.605 41.509 42.059 0.091 0.000 0.985 480 L HN 0.437 nan 8.230 nan 0.000 0.456 481 G N 1.478 110.281 108.800 0.004 0.000 2.198 481 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.257 481 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.257 481 G C 0.043 174.948 174.900 0.009 0.000 1.042 481 G CA 0.328 45.427 45.100 -0.001 0.000 0.791 481 G HN 0.286 nan 8.290 nan 0.000 0.502 482 V N -3.700 116.233 119.914 0.030 0.000 3.001 482 V HA 0.824 4.944 4.120 -0.001 0.000 0.314 482 V C -0.045 176.058 176.094 0.016 0.000 1.099 482 V CA -1.650 60.661 62.300 0.020 0.000 0.989 482 V CB 2.103 33.969 31.823 0.072 0.000 1.040 482 V HN 0.061 nan 8.190 nan 0.000 0.434 483 D N 1.389 121.768 120.400 -0.034 0.000 2.372 483 D HA 0.239 4.878 4.640 -0.001 0.000 0.243 483 D C 1.326 177.635 176.300 0.015 0.000 1.121 483 D CA -0.080 53.904 54.000 -0.028 0.000 0.898 483 D CB 2.182 42.938 40.800 -0.073 0.000 1.202 483 D HN 0.416 nan 8.370 nan 0.000 0.428 484 V N 1.832 121.785 119.914 0.065 0.000 2.568 484 V HA -0.203 3.917 4.120 -0.001 0.000 0.253 484 V C 1.683 177.894 176.094 0.195 0.000 1.072 484 V CA 1.580 63.965 62.300 0.142 0.000 1.084 484 V CB -0.276 31.602 31.823 0.092 0.000 0.676 484 V HN 0.469 nan 8.190 nan 0.000 0.469 485 E N -0.131 120.101 120.200 0.053 0.000 2.444 485 E HA 0.337 4.687 4.350 -0.001 0.000 0.191 485 E C 1.055 177.519 176.600 -0.226 0.000 1.041 485 E CA 0.636 57.053 56.400 0.029 0.000 0.883 485 E CB 0.107 29.812 29.700 0.009 0.000 1.024 485 E HN 0.570 nan 8.360 nan 0.000 0.470 486 G N 2.946 111.318 108.800 -0.713 0.000 2.828 486 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.463 486 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.463 486 G C -2.532 172.096 174.900 -0.453 0.000 1.394 486 G CA -0.715 43.657 45.100 -1.214 0.000 0.862 486 G HN 0.056 nan 8.290 nan 0.000 0.540 487 P HA 0.356 nan 4.420 nan 0.000 0.274 487 P C -0.262 176.815 177.300 -0.371 0.000 1.231 487 P CA -0.004 62.907 63.100 -0.316 0.000 0.790 487 P CB 0.342 32.017 31.700 -0.042 0.000 0.951 488 Y N -0.360 119.957 120.300 0.028 0.000 2.462 488 Y HA 0.212 4.762 4.550 -0.001 0.000 0.261 488 Y C 1.112 176.939 175.900 -0.123 0.000 1.146 488 Y CA 0.465 58.548 58.100 -0.028 0.000 1.283 488 Y CB 0.304 38.756 38.460 -0.014 0.000 1.090 488 Y HN 0.095 nan 8.280 nan 0.000 0.526 489 K N 0.621 121.005 120.400 -0.026 0.000 2.435 489 K HA 0.418 4.738 4.320 -0.001 0.000 0.251 489 K C -2.845 173.676 176.600 -0.131 0.000 0.954 489 K CA -2.105 54.039 56.287 -0.239 0.000 0.820 489 K CB 1.494 33.708 32.500 -0.477 0.000 1.292 489 K HN -0.177 nan 8.250 nan 0.000 0.436 490 P HA 0.086 nan 4.420 nan 0.000 0.273 490 P C 0.220 177.444 177.300 -0.126 0.000 1.250 490 P CA -0.061 62.954 63.100 -0.142 0.000 0.793 490 P CB 0.694 32.249 31.700 -0.241 0.000 1.011 491 D N -0.726 119.672 120.400 -0.004 0.000 2.178 491 D HA -0.214 4.426 4.640 -0.001 0.000 0.201 491 D C 1.533 177.897 176.300 0.107 0.000 0.980 491 D CA 1.444 55.498 54.000 0.091 0.000 0.842 491 D CB -0.277 40.611 40.800 0.146 0.000 0.948 491 D HN 0.614 nan 8.370 nan 0.000 0.472 492 H N -2.911 116.229 119.070 0.117 0.000 2.539 492 H HA 0.109 4.665 4.556 -0.001 0.000 0.267 492 H C 0.025 175.410 175.328 0.096 0.000 0.982 492 H CA -0.436 55.669 56.048 0.095 0.000 1.146 492 H CB -0.894 28.903 29.762 0.059 0.000 1.382 492 H HN 0.135 nan 8.280 nan 0.000 0.577 493 Y N 2.708 122.783 120.300 -0.374 0.000 2.810 493 Y HA -0.096 4.454 4.550 -0.001 0.000 0.332 493 Y C 1.000 176.796 175.900 -0.174 0.000 1.243 493 Y CA 0.258 58.147 58.100 -0.352 0.000 1.537 493 Y CB 0.534 38.678 38.460 -0.527 0.000 1.265 493 Y HN 0.202 nan 8.280 nan 0.000 0.572 494 R N 3.847 123.963 120.500 -0.639 0.000 2.365 494 R HA 0.093 4.433 4.340 -0.001 0.000 0.223 494 R C -0.756 175.472 176.300 -0.119 0.000 0.899 494 R CA -0.114 55.849 56.100 -0.228 0.000 1.059 494 R CB 0.119 30.311 30.300 -0.181 0.000 1.086 494 R HN 0.825 nan 8.270 nan 0.000 0.522 495 Y N 0.000 119.973 120.300 -0.545 0.000 2.660 495 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 495 Y CA 0.000 58.023 58.100 -0.128 0.000 1.940 495 Y CB 0.000 38.538 38.460 0.129 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758