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 1dcn_1_B DATA FIRST_RESID 20 DATA SEQUENCE DPIMEKLNSS IAYDQRLSEV DIQGSMAYAK ALEKAGILTK TELEKILSGL DATA SEQUENCE EKISEEXXXX XXXXXXXXXD IHTANERRLK ELIGDIAGKL NTGRSRNDQV DATA SEQUENCE VTDLKLFMKN SLSIISTHLL QLIKTLVERA AIEIDVILPG YTNLQKAQPI DATA SEQUENCE RWSQFLLSHA VALTRDSERL GEVKKRINVL PLGSGALAGN PLDIDREMLR DATA SEQUENCE SELEFASISL NSMDAISERD FVVEFLSFAT LLMIHLSKMA EDLIIYSTSE DATA SEQUENCE FGFLTLSXXX XXXXXXXXXX XXPDSLELIR SKSGRVFGRL ASILMVLKGL DATA SEQUENCE PSTYNKDLQE DKEAVFDVVD TLTAVLQVAT GVISTLQISK ENMEKALTPE DATA SEQUENCE MLATDLALYL VRKGVPFRQA HTASGKAVHL AETKGITINN LSLEDLKSIS DATA SEQUENCE PQFSSDVSQV FNFVNSVEQY TALAGTAKSS VTTQIEQLRE LMKKQK 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 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.301 176.300 0.002 0.000 2.045 20 D CA 0.000 54.001 54.000 0.001 0.000 0.868 20 D CB 0.000 40.801 40.800 0.001 0.000 0.688 21 P HA -0.023 nan 4.420 nan 0.000 0.249 21 P C 1.118 178.420 177.300 0.004 0.000 1.227 21 P CA 0.148 63.250 63.100 0.002 0.000 0.753 21 P CB 0.295 31.996 31.700 0.002 0.000 0.966 22 I N -1.725 118.846 120.570 0.003 0.000 3.265 22 I HA 0.068 4.238 4.170 0.000 0.000 0.282 22 I C 2.137 178.257 176.117 0.004 0.000 1.207 22 I CA 0.624 61.926 61.300 0.003 0.000 1.449 22 I CB -0.622 37.380 38.000 0.002 0.000 1.121 22 I HN 0.037 nan 8.210 nan 0.000 0.442 23 M N 0.901 120.503 119.600 0.003 0.000 2.657 23 M HA 0.084 4.564 4.480 0.000 0.000 0.262 23 M C 2.189 178.492 176.300 0.005 0.000 1.213 23 M CA 1.365 56.667 55.300 0.004 0.000 1.182 23 M CB -0.350 32.251 32.600 0.002 0.000 1.303 23 M HN 0.230 nan 8.290 nan 0.000 0.501 24 E N 0.895 121.097 120.200 0.004 0.000 2.150 24 E HA -0.222 4.128 4.350 0.000 0.000 0.193 24 E C 1.845 178.447 176.600 0.004 0.000 0.985 24 E CA 1.779 58.181 56.400 0.003 0.000 0.814 24 E CB -0.762 28.939 29.700 0.001 0.000 0.752 24 E HN 0.434 nan 8.360 nan 0.000 0.466 25 K N -0.039 120.364 120.400 0.006 0.000 2.074 25 K HA -0.097 4.223 4.320 0.000 0.000 0.209 25 K C 1.862 178.474 176.600 0.019 0.000 1.048 25 K CA 1.358 57.651 56.287 0.010 0.000 0.926 25 K CB -0.524 31.983 32.500 0.012 0.000 0.713 25 K HN 0.332 nan 8.250 nan 0.000 0.444 26 L N 1.292 122.527 121.223 0.020 0.000 2.131 26 L HA -0.098 4.242 4.340 0.000 0.000 0.210 26 L C 1.396 178.286 176.870 0.035 0.000 1.092 26 L CA 1.514 56.372 54.840 0.029 0.000 0.759 26 L CB -0.710 41.360 42.059 0.019 0.000 0.903 26 L HN 0.260 nan 8.230 nan 0.000 0.435 27 N N -1.161 117.550 118.700 0.018 0.000 2.383 27 N HA 0.018 4.758 4.740 0.000 0.000 0.192 27 N C 0.385 175.886 175.510 -0.014 0.000 1.141 27 N CA 0.139 53.196 53.050 0.011 0.000 0.851 27 N CB 0.134 38.626 38.487 0.008 0.000 0.976 27 N HN 0.138 nan 8.380 nan 0.000 0.465 28 S N 0.823 116.514 115.700 -0.015 0.000 4.069 28 S HA 0.110 4.580 4.470 0.000 0.000 0.192 28 S C 0.422 174.939 174.600 -0.138 0.000 1.441 28 S CA -0.207 57.959 58.200 -0.056 0.000 0.994 28 S CB -0.323 62.858 63.200 -0.032 0.000 1.456 28 S HN 0.044 nan 8.310 nan 0.000 0.458 29 S N 2.268 117.852 115.700 -0.194 0.000 3.919 29 S HA 0.223 4.693 4.470 0.000 0.000 0.245 29 S C 0.612 174.925 174.600 -0.478 0.000 1.344 29 S CA -0.306 57.619 58.200 -0.458 0.000 0.896 29 S CB -0.214 62.830 63.200 -0.260 0.000 1.557 29 S HN 0.680 nan 8.310 nan 0.000 0.468 30 I N 1.316 121.607 120.570 -0.465 0.000 5.010 30 I HA 0.365 4.535 4.170 0.000 0.000 0.329 30 I C 1.644 177.617 176.117 -0.241 0.000 1.229 30 I CA 0.405 61.531 61.300 -0.290 0.000 1.399 30 I CB -0.429 37.474 38.000 -0.162 0.000 1.459 30 I HN 0.370 nan 8.210 nan 0.000 0.500 31 A N 0.187 122.871 122.820 -0.228 0.000 2.167 31 A HA -0.005 4.315 4.320 0.000 0.000 0.214 31 A C 1.604 179.197 177.584 0.016 0.000 1.151 31 A CA 1.647 53.640 52.037 -0.074 0.000 0.735 31 A CB -0.821 18.179 19.000 0.001 0.000 0.802 31 A HN 0.715 nan 8.150 nan 0.000 0.467 32 Y N -1.843 118.484 120.300 0.045 0.000 2.432 32 Y HA 0.339 4.889 4.550 0.000 0.000 0.252 32 Y C 0.312 176.301 175.900 0.149 0.000 1.097 32 Y CA -0.443 57.713 58.100 0.093 0.000 1.250 32 Y CB -0.421 38.117 38.460 0.129 0.000 1.245 32 Y HN 0.288 nan 8.280 nan 0.000 0.522 33 D N -0.300 120.132 120.400 0.054 0.000 2.559 33 D HA 0.079 4.719 4.640 0.000 0.000 0.234 33 D C 0.837 177.100 176.300 -0.062 0.000 1.226 33 D CA -0.153 53.940 54.000 0.155 0.000 0.830 33 D CB 0.036 40.955 40.800 0.198 0.000 1.028 33 D HN 0.384 nan 8.370 nan 0.000 0.492 34 Q N 0.390 120.137 119.800 -0.089 0.000 2.488 34 Q HA -0.038 4.302 4.340 0.000 0.000 0.211 34 Q C 1.691 177.631 176.000 -0.100 0.000 0.967 34 Q CA 0.485 56.240 55.803 -0.081 0.000 0.926 34 Q CB -0.010 28.692 28.738 -0.060 0.000 0.992 34 Q HN 0.507 nan 8.270 nan 0.000 0.506 35 R N 0.178 120.564 120.500 -0.190 0.000 2.280 35 R HA -0.019 4.321 4.340 0.000 0.000 0.207 35 R C 1.265 177.448 176.300 -0.196 0.000 1.043 35 R CA 0.661 56.626 56.100 -0.225 0.000 1.006 35 R CB -0.192 29.863 30.300 -0.409 0.000 0.885 35 R HN 0.218 nan 8.270 nan 0.000 0.467 36 L N 2.280 123.399 121.223 -0.173 0.000 2.629 36 L HA 0.094 4.434 4.340 0.000 0.000 0.230 36 L C 1.958 178.838 176.870 0.016 0.000 1.151 36 L CA 0.080 54.882 54.840 -0.064 0.000 0.924 36 L CB 0.094 42.145 42.059 -0.012 0.000 1.137 36 L HN 0.298 nan 8.230 nan 0.000 0.457 37 S N -0.034 115.665 115.700 -0.001 0.000 2.343 37 S HA -0.253 4.217 4.470 0.000 0.000 0.219 37 S C 1.835 176.454 174.600 0.032 0.000 1.033 37 S CA 1.350 59.562 58.200 0.019 0.000 1.014 37 S CB -0.206 62.996 63.200 0.003 0.000 0.915 37 S HN 0.401 nan 8.310 nan 0.000 0.435 38 E N 1.812 122.031 120.200 0.031 0.000 2.058 38 E HA -0.142 4.208 4.350 0.000 0.000 0.194 38 E C 2.153 178.782 176.600 0.048 0.000 0.997 38 E CA 1.983 58.405 56.400 0.036 0.000 0.801 38 E CB -0.815 28.906 29.700 0.035 0.000 0.746 38 E HN 0.599 nan 8.360 nan 0.000 0.450 39 V N -0.596 119.361 119.914 0.071 0.000 2.490 39 V HA -0.196 3.924 4.120 0.000 0.000 0.250 39 V C 2.116 178.256 176.094 0.076 0.000 1.061 39 V CA 2.303 64.654 62.300 0.085 0.000 1.064 39 V CB -0.914 30.990 31.823 0.135 0.000 0.670 39 V HN 0.242 nan 8.190 nan 0.000 0.461 40 D N 0.817 121.260 120.400 0.073 0.000 2.097 40 D HA -0.160 4.480 4.640 0.000 0.000 0.195 40 D C 1.931 178.246 176.300 0.026 0.000 0.989 40 D CA 2.167 56.200 54.000 0.054 0.000 0.827 40 D CB -0.336 40.516 40.800 0.087 0.000 0.966 40 D HN 0.513 nan 8.370 nan 0.000 0.456 41 I N 0.195 120.783 120.570 0.031 0.000 2.264 41 I HA -0.249 3.921 4.170 0.000 0.000 0.248 41 I C 2.310 178.445 176.117 0.030 0.000 1.111 41 I CA 0.819 62.134 61.300 0.024 0.000 1.382 41 I CB -0.318 37.696 38.000 0.023 0.000 1.060 41 I HN 0.168 nan 8.210 nan 0.000 0.418 42 Q N 0.541 120.363 119.800 0.037 0.000 2.079 42 Q HA -0.113 4.227 4.340 0.000 0.000 0.200 42 Q C 2.382 178.417 176.000 0.058 0.000 0.974 42 Q CA 1.763 57.592 55.803 0.043 0.000 0.840 42 Q CB -0.789 27.975 28.738 0.042 0.000 0.898 42 Q HN 0.593 nan 8.270 nan 0.000 0.430 43 G N 0.243 109.077 108.800 0.058 0.000 2.422 43 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 43 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 43 G C 1.664 176.603 174.900 0.065 0.000 1.146 43 G CA 1.007 46.143 45.100 0.059 0.000 0.769 43 G HN 0.320 nan 8.290 nan 0.000 0.547 44 S N 0.292 116.017 115.700 0.041 0.000 2.383 44 S HA -0.014 4.456 4.470 0.000 0.000 0.227 44 S C 2.414 177.065 174.600 0.086 0.000 1.026 44 S CA 1.135 59.373 58.200 0.063 0.000 0.981 44 S CB -0.213 63.000 63.200 0.022 0.000 0.818 44 S HN 0.353 nan 8.310 nan 0.000 0.472 45 M N 1.197 120.832 119.600 0.058 0.000 2.067 45 M HA -0.095 4.386 4.480 0.000 0.000 0.260 45 M C 2.591 178.922 176.300 0.052 0.000 1.069 45 M CA 1.559 56.886 55.300 0.044 0.000 1.117 45 M CB -0.677 31.942 32.600 0.032 0.000 1.334 45 M HN 0.389 nan 8.290 nan 0.000 0.407 46 A N -0.412 122.451 122.820 0.071 0.000 1.883 46 A HA -0.235 4.085 4.320 0.000 0.000 0.217 46 A C 2.036 179.677 177.584 0.095 0.000 1.186 46 A CA 1.641 53.724 52.037 0.076 0.000 0.624 46 A CB -1.169 17.889 19.000 0.097 0.000 0.822 46 A HN 0.564 nan 8.150 nan 0.000 0.444 47 Y N 0.527 120.821 120.300 -0.010 0.000 2.242 47 Y HA -0.034 4.516 4.550 0.000 0.000 0.291 47 Y C 2.667 178.555 175.900 -0.019 0.000 1.137 47 Y CA 0.784 58.871 58.100 -0.021 0.000 1.181 47 Y CB -0.558 37.883 38.460 -0.032 0.000 0.989 47 Y HN 0.325 nan 8.280 nan 0.000 0.527 48 A N 0.360 123.187 122.820 0.012 0.000 1.883 48 A HA -0.224 4.096 4.320 0.000 0.000 0.217 48 A C 2.266 179.790 177.584 -0.101 0.000 1.186 48 A CA 2.084 54.087 52.037 -0.057 0.000 0.624 48 A CB -0.559 18.442 19.000 0.002 0.000 0.822 48 A HN 0.485 nan 8.150 nan 0.000 0.444 49 K N -0.359 120.004 120.400 -0.062 0.000 2.032 49 K HA -0.095 4.225 4.320 0.000 0.000 0.209 49 K C 2.318 178.858 176.600 -0.099 0.000 1.048 49 K CA 1.217 57.467 56.287 -0.061 0.000 0.927 49 K CB -0.375 32.107 32.500 -0.029 0.000 0.712 49 K HN 0.441 nan 8.250 nan 0.000 0.441 50 A N 1.305 124.045 122.820 -0.134 0.000 1.933 50 A HA -0.149 4.171 4.320 0.000 0.000 0.218 50 A C 2.063 179.502 177.584 -0.241 0.000 1.175 50 A CA 1.145 53.081 52.037 -0.167 0.000 0.628 50 A CB -0.441 18.456 19.000 -0.171 0.000 0.814 50 A HN 0.190 nan 8.150 nan 0.000 0.444 51 L N -0.261 120.748 121.223 -0.357 0.000 2.201 51 L HA -0.091 4.249 4.340 0.000 0.000 0.212 51 L C 2.288 179.052 176.870 -0.177 0.000 1.105 51 L CA 2.005 56.640 54.840 -0.342 0.000 0.775 51 L CB -0.386 41.423 42.059 -0.415 0.000 0.913 51 L HN 0.531 nan 8.230 nan 0.000 0.440 52 E N 0.057 120.175 120.200 -0.135 0.000 2.051 52 E HA -0.259 4.091 4.350 0.000 0.000 0.189 52 E C 2.128 178.685 176.600 -0.073 0.000 0.979 52 E CA 1.133 57.482 56.400 -0.085 0.000 0.803 52 E CB -0.044 29.617 29.700 -0.065 0.000 0.761 52 E HN 0.500 nan 8.360 nan 0.000 0.451 53 K N 0.153 120.508 120.400 -0.075 0.000 2.209 53 K HA -0.065 4.255 4.320 0.000 0.000 0.204 53 K C 1.816 178.380 176.600 -0.060 0.000 1.048 53 K CA 1.050 57.302 56.287 -0.058 0.000 0.940 53 K CB -0.115 32.353 32.500 -0.054 0.000 0.729 53 K HN 0.097 nan 8.250 nan 0.000 0.451 54 A N 0.212 122.983 122.820 -0.081 0.000 2.119 54 A HA 0.117 4.437 4.320 0.000 0.000 0.217 54 A C 1.507 179.057 177.584 -0.057 0.000 1.153 54 A CA 1.090 53.083 52.037 -0.073 0.000 0.692 54 A CB -0.467 18.473 19.000 -0.100 0.000 0.799 54 A HN 0.568 nan 8.150 nan 0.000 0.458 55 G N -1.610 107.156 108.800 -0.057 0.000 2.157 55 G HA2 -0.242 3.718 3.960 0.000 0.000 0.248 55 G HA3 -0.242 3.718 3.960 0.000 0.000 0.248 55 G C 0.543 175.417 174.900 -0.043 0.000 0.979 55 G CA 0.482 45.556 45.100 -0.044 0.000 0.650 55 G HN 0.379 nan 8.290 nan 0.000 0.529 56 I N 0.201 120.738 120.570 -0.056 0.000 2.876 56 I HA 0.318 4.488 4.170 0.000 0.000 0.264 56 I C 1.310 177.401 176.117 -0.043 0.000 1.204 56 I CA 0.840 62.112 61.300 -0.048 0.000 1.485 56 I CB 0.004 37.969 38.000 -0.058 0.000 1.103 56 I HN 0.261 nan 8.210 nan 0.000 0.446 57 L N 0.009 121.202 121.223 -0.051 0.000 2.365 57 L HA 0.408 4.748 4.340 0.000 0.000 0.273 57 L C 0.207 177.057 176.870 -0.034 0.000 1.000 57 L CA -0.806 54.009 54.840 -0.041 0.000 0.819 57 L CB 1.872 43.902 42.059 -0.049 0.000 1.284 57 L HN 0.032 nan 8.230 nan 0.000 0.418 58 T N -2.056 112.483 114.554 -0.025 0.000 2.904 58 T HA 0.136 4.486 4.350 0.000 0.000 0.290 58 T C 0.916 175.603 174.700 -0.021 0.000 1.018 58 T CA -0.703 61.384 62.100 -0.021 0.000 1.075 58 T CB 1.726 70.584 68.868 -0.016 0.000 0.986 58 T HN 0.569 nan 8.240 nan 0.000 0.523 59 K N 1.549 121.937 120.400 -0.020 0.000 2.144 59 K HA -0.173 4.147 4.320 0.000 0.000 0.209 59 K C 2.076 178.667 176.600 -0.015 0.000 1.047 59 K CA 2.366 58.642 56.287 -0.018 0.000 0.927 59 K CB -1.183 31.308 32.500 -0.015 0.000 0.716 59 K HN 0.781 nan 8.250 nan 0.000 0.454 60 T N 0.442 114.988 114.554 -0.013 0.000 2.770 60 T HA -0.046 4.304 4.350 0.000 0.000 0.263 60 T C 1.304 175.998 174.700 -0.011 0.000 1.039 60 T CA 1.315 63.409 62.100 -0.011 0.000 1.142 60 T CB -0.216 68.647 68.868 -0.009 0.000 0.868 60 T HN 0.380 nan 8.240 nan 0.000 0.435 61 E N 0.527 120.720 120.200 -0.012 0.000 2.396 61 E HA -0.110 4.240 4.350 0.000 0.000 0.200 61 E C 1.839 178.431 176.600 -0.014 0.000 1.023 61 E CA 0.368 56.761 56.400 -0.012 0.000 0.857 61 E CB -0.133 29.558 29.700 -0.014 0.000 0.775 61 E HN 0.224 nan 8.360 nan 0.000 0.525 62 L N 1.096 122.309 121.223 -0.016 0.000 2.071 62 L HA -0.084 4.256 4.340 0.000 0.000 0.201 62 L C 2.478 179.342 176.870 -0.011 0.000 1.076 62 L CA 2.467 57.296 54.840 -0.017 0.000 0.755 62 L CB -0.901 41.144 42.059 -0.022 0.000 0.915 62 L HN 0.071 nan 8.230 nan 0.000 0.445 63 E N -0.023 120.172 120.200 -0.010 0.000 2.171 63 E HA -0.263 4.087 4.350 0.000 0.000 0.197 63 E C 2.142 178.740 176.600 -0.004 0.000 0.997 63 E CA 1.737 58.133 56.400 -0.006 0.000 0.810 63 E CB -0.753 28.944 29.700 -0.006 0.000 0.738 63 E HN 0.426 nan 8.360 nan 0.000 0.467 64 K N -0.612 119.785 120.400 -0.005 0.000 1.984 64 K HA 0.087 4.407 4.320 0.000 0.000 0.209 64 K C 1.518 178.117 176.600 -0.001 0.000 1.046 64 K CA 0.878 57.163 56.287 -0.003 0.000 0.934 64 K CB -0.244 32.254 32.500 -0.003 0.000 0.717 64 K HN 0.464 nan 8.250 nan 0.000 0.438 65 I N 2.107 122.676 120.570 -0.001 0.000 2.293 65 I HA 0.012 4.182 4.170 0.000 0.000 0.280 65 I C 1.141 177.260 176.117 0.004 0.000 1.075 65 I CA 0.244 61.546 61.300 0.003 0.000 1.702 65 I CB -0.010 37.992 38.000 0.004 0.000 1.477 65 I HN 0.179 nan 8.210 nan 0.000 0.733 66 L N -0.101 121.124 121.223 0.004 0.000 2.325 66 L HA -0.037 4.303 4.340 0.000 0.000 0.266 66 L C 1.566 178.439 176.870 0.004 0.000 1.134 66 L CA 0.445 55.288 54.840 0.005 0.000 1.406 66 L CB -0.019 42.041 42.059 0.002 0.000 2.633 66 L HN 0.111 nan 8.230 nan 0.000 0.537 67 S N 0.280 115.981 115.700 0.002 0.000 2.461 67 S HA 0.045 4.515 4.470 0.000 0.000 0.228 67 S C 1.552 176.154 174.600 0.003 0.000 1.005 67 S CA 1.103 59.304 58.200 0.002 0.000 0.942 67 S CB 0.100 63.301 63.200 0.001 0.000 0.776 67 S HN 0.670 nan 8.310 nan 0.000 0.514 68 G N 1.667 110.469 108.800 0.004 0.000 2.408 68 G HA2 -0.012 3.948 3.960 0.000 0.000 0.215 68 G HA3 -0.012 3.948 3.960 0.000 0.000 0.215 68 G C 1.233 176.136 174.900 0.006 0.000 1.156 68 G CA 0.195 45.298 45.100 0.004 0.000 0.793 68 G HN 0.441 nan 8.290 nan 0.000 0.535 69 L N 0.179 121.406 121.223 0.008 0.000 2.217 69 L HA 0.046 4.386 4.340 0.000 0.000 0.211 69 L C 2.626 179.502 176.870 0.009 0.000 1.107 69 L CA 0.935 55.780 54.840 0.010 0.000 0.783 69 L CB -0.237 41.830 42.059 0.013 0.000 0.919 69 L HN 0.207 nan 8.230 nan 0.000 0.442 70 E N 1.254 121.459 120.200 0.007 0.000 2.058 70 E HA -0.278 4.072 4.350 0.000 0.000 0.194 70 E C 2.169 178.772 176.600 0.005 0.000 0.997 70 E CA 1.667 58.070 56.400 0.006 0.000 0.801 70 E CB -0.001 29.701 29.700 0.004 0.000 0.746 70 E HN 0.315 nan 8.360 nan 0.000 0.450 71 K N 0.068 120.471 120.400 0.005 0.000 2.062 71 K HA -0.086 4.234 4.320 0.000 0.000 0.205 71 K C 2.170 178.773 176.600 0.005 0.000 1.051 71 K CA 1.391 57.681 56.287 0.004 0.000 0.941 71 K CB -0.245 32.257 32.500 0.003 0.000 0.719 71 K HN 0.174 nan 8.250 nan 0.000 0.440 72 I N 1.887 122.460 120.570 0.006 0.000 2.151 72 I HA -0.334 3.836 4.170 0.000 0.000 0.243 72 I C 2.525 178.646 176.117 0.007 0.000 1.080 72 I CA 1.802 63.106 61.300 0.007 0.000 1.339 72 I CB -0.571 37.434 38.000 0.009 0.000 1.039 72 I HN 0.363 nan 8.210 nan 0.000 0.409 73 S N 0.184 115.889 115.700 0.008 0.000 2.402 73 S HA -0.206 4.264 4.470 0.000 0.000 0.229 73 S C 1.837 176.440 174.600 0.006 0.000 1.021 73 S CA 1.223 59.428 58.200 0.008 0.000 0.974 73 S CB -0.319 62.887 63.200 0.010 0.000 0.800 73 S HN 0.395 nan 8.310 nan 0.000 0.484 74 E N 1.489 121.692 120.200 0.005 0.000 2.268 74 E HA 0.045 4.395 4.350 0.000 0.000 0.195 74 E C 1.015 177.617 176.600 0.003 0.000 0.995 74 E CA 0.640 57.042 56.400 0.004 0.000 0.836 74 E CB -0.043 29.659 29.700 0.003 0.000 0.763 74 E HN 0.550 nan 8.360 nan 0.000 0.491 90 I N 0.707 121.203 120.570 -0.122 0.000 2.236 90 I HA -0.269 3.901 4.170 0.000 0.000 0.249 90 I C 1.723 177.885 176.117 0.074 0.000 1.102 90 I CA 1.952 63.231 61.300 -0.036 0.000 1.365 90 I CB -0.543 37.438 38.000 -0.031 0.000 1.051 90 I HN 0.560 nan 8.210 nan 0.000 0.420 91 H N -0.869 118.181 119.070 -0.033 0.000 2.253 91 H HA -0.165 4.391 4.556 0.000 0.000 0.296 91 H C 2.133 177.446 175.328 -0.025 0.000 1.074 91 H CA 1.685 57.716 56.048 -0.028 0.000 1.263 91 H CB -0.541 29.201 29.762 -0.032 0.000 1.363 91 H HN 0.288 nan 8.280 nan 0.000 0.489 92 T N 0.807 115.432 114.554 0.119 0.000 2.737 92 T HA -0.231 4.119 4.350 0.000 0.000 0.269 92 T C 2.261 176.979 174.700 0.030 0.000 1.040 92 T CA 0.988 63.118 62.100 0.051 0.000 1.142 92 T CB -0.493 68.389 68.868 0.024 0.000 0.861 92 T HN 0.465 nan 8.240 nan 0.000 0.456 93 A N 2.651 125.484 122.820 0.022 0.000 1.873 93 A HA -0.220 4.100 4.320 0.000 0.000 0.218 93 A C 2.278 179.871 177.584 0.016 0.000 1.193 93 A CA 1.858 53.901 52.037 0.010 0.000 0.629 93 A CB -0.652 18.347 19.000 -0.001 0.000 0.826 93 A HN 0.457 nan 8.150 nan 0.000 0.447 94 N N -0.600 118.116 118.700 0.027 0.000 2.250 94 N HA -0.083 4.657 4.740 0.000 0.000 0.181 94 N C 1.296 176.815 175.510 0.015 0.000 1.017 94 N CA 1.225 54.287 53.050 0.021 0.000 0.866 94 N CB -0.343 38.159 38.487 0.025 0.000 0.985 94 N HN 0.521 nan 8.380 nan 0.000 0.429 95 E N 0.564 120.776 120.200 0.020 0.000 2.505 95 E HA 0.017 4.367 4.350 0.000 0.000 0.197 95 E C 1.561 178.167 176.600 0.010 0.000 1.111 95 E CA 0.158 56.564 56.400 0.011 0.000 0.887 95 E CB 0.182 29.888 29.700 0.010 0.000 0.913 95 E HN 0.252 nan 8.360 nan 0.000 0.517 96 R N -0.938 119.569 120.500 0.010 0.000 2.197 96 R HA 0.109 4.449 4.340 0.000 0.000 0.188 96 R C 1.798 178.101 176.300 0.005 0.000 1.015 96 R CA 0.056 56.160 56.100 0.007 0.000 1.132 96 R CB 0.040 30.343 30.300 0.006 0.000 1.134 96 R HN -0.079 nan 8.270 nan 0.000 0.560 97 R N 1.381 121.884 120.500 0.006 0.000 2.341 97 R HA 0.045 4.385 4.340 0.000 0.000 0.213 97 R C 1.607 177.910 176.300 0.005 0.000 1.082 97 R CA 0.930 57.032 56.100 0.004 0.000 1.017 97 R CB -0.708 29.595 30.300 0.004 0.000 0.860 97 R HN 0.401 nan 8.270 nan 0.000 0.473 98 L N -0.416 120.810 121.223 0.006 0.000 2.071 98 L HA 0.012 4.352 4.340 0.000 0.000 0.201 98 L C 2.235 179.107 176.870 0.004 0.000 1.076 98 L CA 1.205 56.048 54.840 0.005 0.000 0.755 98 L CB -0.347 41.716 42.059 0.006 0.000 0.915 98 L HN 0.220 nan 8.230 nan 0.000 0.445 99 K N 0.493 120.895 120.400 0.004 0.000 2.032 99 K HA -0.230 4.090 4.320 0.000 0.000 0.209 99 K C 1.372 177.974 176.600 0.003 0.000 1.048 99 K CA 1.940 58.229 56.287 0.004 0.000 0.927 99 K CB -0.074 32.428 32.500 0.004 0.000 0.712 99 K HN 0.503 nan 8.250 nan 0.000 0.441 100 E N 0.483 120.685 120.200 0.003 0.000 2.357 100 E HA -0.098 4.252 4.350 0.000 0.000 0.194 100 E C 1.066 177.667 176.600 0.002 0.000 1.177 100 E CA 0.197 56.598 56.400 0.002 0.000 0.998 100 E CB 0.179 29.880 29.700 0.002 0.000 1.106 100 E HN 0.183 nan 8.360 nan 0.000 0.470 101 L N 0.039 121.263 121.223 0.002 0.000 2.966 101 L HA 0.264 4.604 4.340 0.000 0.000 0.262 101 L C 1.273 178.144 176.870 0.002 0.000 1.068 101 L CA 0.263 55.104 54.840 0.002 0.000 1.004 101 L CB 0.668 42.729 42.059 0.003 0.000 1.629 101 L HN 0.378 nan 8.230 nan 0.000 0.542 102 I N -3.331 117.240 120.570 0.002 0.000 4.240 102 I HA 0.744 4.914 4.170 0.000 0.000 0.331 102 I C 0.812 176.930 176.117 0.001 0.000 1.381 102 I CA 0.133 61.434 61.300 0.001 0.000 1.136 102 I CB 0.296 38.297 38.000 0.002 0.000 1.137 102 I HN 0.172 nan 8.210 nan 0.000 0.411 103 G N 3.192 111.993 108.800 0.001 0.000 2.587 103 G HA2 -0.280 3.680 3.960 0.000 0.000 0.212 103 G HA3 -0.280 3.680 3.960 0.000 0.000 0.212 103 G C 0.054 174.955 174.900 0.001 0.000 1.327 103 G CA 0.229 45.330 45.100 0.001 0.000 0.898 103 G HN 0.485 nan 8.290 nan 0.000 0.551 104 D N -0.477 119.924 120.400 0.001 0.000 2.348 104 D HA 0.044 4.684 4.640 0.000 0.000 0.216 104 D C 2.201 178.502 176.300 0.002 0.000 0.970 104 D CA 1.031 55.032 54.000 0.002 0.000 0.889 104 D CB -0.002 40.799 40.800 0.001 0.000 0.912 104 D HN 0.614 nan 8.370 nan 0.000 0.524 105 I N 1.506 122.077 120.570 0.001 0.000 2.264 105 I HA -0.181 3.989 4.170 0.000 0.000 0.248 105 I C 2.133 178.252 176.117 0.003 0.000 1.111 105 I CA 1.087 62.388 61.300 0.001 0.000 1.382 105 I CB -0.709 37.291 38.000 -0.001 0.000 1.060 105 I HN 0.056 nan 8.210 nan 0.000 0.418 106 A N 0.340 123.163 122.820 0.004 0.000 2.139 106 A HA -0.114 4.206 4.320 0.000 0.000 0.221 106 A C 2.398 179.988 177.584 0.010 0.000 1.159 106 A CA 1.469 53.510 52.037 0.007 0.000 0.662 106 A CB -1.776 17.228 19.000 0.006 0.000 0.796 106 A HN 0.556 nan 8.150 nan 0.000 0.463 107 G N -0.102 108.702 108.800 0.008 0.000 2.432 107 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 107 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 107 G C 1.482 176.390 174.900 0.014 0.000 1.135 107 G CA 0.926 46.032 45.100 0.009 0.000 0.767 107 G HN 0.620 nan 8.290 nan 0.000 0.550 108 K N -0.273 120.134 120.400 0.013 0.000 2.574 108 K HA 0.097 4.417 4.320 0.000 0.000 0.193 108 K C 2.019 178.640 176.600 0.035 0.000 1.035 108 K CA -0.056 56.241 56.287 0.017 0.000 0.982 108 K CB -0.028 32.474 32.500 0.004 0.000 0.795 108 K HN 0.262 nan 8.250 nan 0.000 0.491 109 L N 1.379 122.628 121.223 0.044 0.000 2.109 109 L HA -0.105 4.235 4.340 0.000 0.000 0.207 109 L C 1.100 178.054 176.870 0.140 0.000 1.086 109 L CA 1.763 56.654 54.840 0.085 0.000 0.760 109 L CB -0.304 41.791 42.059 0.060 0.000 0.910 109 L HN 0.168 nan 8.230 nan 0.000 0.437 110 N N -1.487 117.256 118.700 0.071 0.000 2.515 110 N HA -0.050 4.690 4.740 0.000 0.000 0.185 110 N C -0.148 175.411 175.510 0.081 0.000 1.109 110 N CA 0.239 53.314 53.050 0.041 0.000 0.903 110 N CB -0.056 38.427 38.487 -0.006 0.000 0.969 110 N HN 0.288 nan 8.380 nan 0.000 0.450 111 T N 0.990 115.610 114.554 0.109 0.000 2.666 111 T HA 0.078 4.428 4.350 0.000 0.000 0.265 111 T C 1.210 176.008 174.700 0.164 0.000 1.009 111 T CA 0.799 62.957 62.100 0.097 0.000 1.238 111 T CB 0.012 68.915 68.868 0.059 0.000 0.969 111 T HN 0.495 nan 8.240 nan 0.000 0.515 112 G N 3.347 112.209 108.800 0.104 0.000 2.143 112 G HA2 -0.260 3.700 3.960 0.000 0.000 0.248 112 G HA3 -0.260 3.700 3.960 0.000 0.000 0.248 112 G C 0.084 175.039 174.900 0.092 0.000 0.991 112 G CA 0.117 45.287 45.100 0.117 0.000 0.689 112 G HN 0.827 nan 8.290 nan 0.000 0.522 113 R N 0.067 120.550 120.500 -0.029 0.000 2.502 113 R HA 0.601 4.941 4.340 0.000 0.000 0.300 113 R C -0.219 175.966 176.300 -0.192 0.000 0.984 113 R CA 0.057 56.002 56.100 -0.257 0.000 0.882 113 R CB 1.326 31.244 30.300 -0.637 0.000 1.180 113 R HN 0.242 nan 8.270 nan 0.000 0.444 114 S N 2.078 117.668 115.700 -0.183 0.000 2.654 114 S HA 0.286 4.756 4.470 0.000 0.000 0.283 114 S C 1.009 175.503 174.600 -0.177 0.000 1.180 114 S CA -0.584 57.524 58.200 -0.153 0.000 1.021 114 S CB 1.272 64.391 63.200 -0.135 0.000 1.018 114 S HN 0.762 nan 8.310 nan 0.000 0.532 115 R N 1.684 122.095 120.500 -0.148 0.000 2.148 115 R HA -0.018 4.322 4.340 0.000 0.000 0.227 115 R C 1.575 177.791 176.300 -0.140 0.000 1.103 115 R CA 1.225 57.262 56.100 -0.105 0.000 0.983 115 R CB -0.311 29.971 30.300 -0.030 0.000 0.874 115 R HN 0.584 nan 8.270 nan 0.000 0.451 116 N N 1.372 119.919 118.700 -0.255 0.000 2.149 116 N HA -0.168 4.572 4.740 0.000 0.000 0.188 116 N C 1.146 176.559 175.510 -0.161 0.000 1.019 116 N CA 1.674 54.526 53.050 -0.329 0.000 0.857 116 N CB -0.253 37.981 38.487 -0.422 0.000 0.997 116 N HN 0.474 nan 8.380 nan 0.000 0.426 117 D N -0.316 119.997 120.400 -0.146 0.000 2.360 117 D HA -0.068 4.572 4.640 0.000 0.000 0.210 117 D C 1.560 177.785 176.300 -0.126 0.000 1.047 117 D CA 0.201 54.127 54.000 -0.123 0.000 0.854 117 D CB -0.097 40.621 40.800 -0.137 0.000 0.936 117 D HN 0.317 nan 8.370 nan 0.000 0.514 118 Q N 0.576 120.296 119.800 -0.133 0.000 2.165 118 Q HA -0.016 4.324 4.340 0.000 0.000 0.197 118 Q C 2.125 178.124 176.000 -0.000 0.000 0.952 118 Q CA 0.491 56.212 55.803 -0.137 0.000 0.848 118 Q CB 0.257 28.838 28.738 -0.261 0.000 0.931 118 Q HN 0.079 nan 8.270 nan 0.000 0.470 119 V N 0.156 120.119 119.914 0.082 0.000 2.427 119 V HA -0.160 3.960 4.120 0.000 0.000 0.248 119 V C 2.083 178.250 176.094 0.121 0.000 1.051 119 V CA 1.646 64.044 62.300 0.163 0.000 1.048 119 V CB 0.114 32.013 31.823 0.127 0.000 0.666 119 V HN 0.418 nan 8.190 nan 0.000 0.456 120 V N -0.312 119.644 119.914 0.071 0.000 2.548 120 V HA -0.185 3.935 4.120 0.000 0.000 0.249 120 V C 2.444 178.536 176.094 -0.004 0.000 1.055 120 V CA 2.793 65.132 62.300 0.064 0.000 1.065 120 V CB -0.331 31.507 31.823 0.026 0.000 0.681 120 V HN 0.726 nan 8.190 nan 0.000 0.462 121 T N -0.150 114.400 114.554 -0.007 0.000 2.857 121 T HA -0.114 4.236 4.350 0.000 0.000 0.266 121 T C 1.502 176.275 174.700 0.123 0.000 1.048 121 T CA 1.483 63.594 62.100 0.018 0.000 1.139 121 T CB -0.313 68.542 68.868 -0.022 0.000 0.874 121 T HN 0.534 nan 8.240 nan 0.000 0.455 122 D N 1.314 121.789 120.400 0.126 0.000 2.078 122 D HA -0.011 4.629 4.640 0.000 0.000 0.193 122 D C 2.144 178.579 176.300 0.226 0.000 0.990 122 D CA 0.721 54.824 54.000 0.172 0.000 0.827 122 D CB -0.554 40.361 40.800 0.190 0.000 0.975 122 D HN 0.227 nan 8.370 nan 0.000 0.451 123 L N 0.483 121.845 121.223 0.232 0.000 2.042 123 L HA -0.209 4.131 4.340 0.000 0.000 0.210 123 L C 2.336 179.376 176.870 0.283 0.000 1.076 123 L CA 1.368 56.405 54.840 0.328 0.000 0.749 123 L CB -0.162 42.129 42.059 0.386 0.000 0.893 123 L HN 0.051 nan 8.230 nan 0.000 0.432 124 K N -0.266 120.191 120.400 0.095 0.000 2.026 124 K HA -0.182 4.138 4.320 0.000 0.000 0.208 124 K C 2.061 178.706 176.600 0.075 0.000 1.048 124 K CA 1.161 57.447 56.287 -0.001 0.000 0.929 124 K CB -0.165 32.283 32.500 -0.088 0.000 0.713 124 K HN 0.251 nan 8.250 nan 0.000 0.439 125 L N -0.044 121.260 121.223 0.135 0.000 2.046 125 L HA -0.196 4.144 4.340 0.000 0.000 0.208 125 L C 2.398 179.288 176.870 0.033 0.000 1.077 125 L CA 1.102 55.952 54.840 0.016 0.000 0.747 125 L CB -0.387 41.717 42.059 0.076 0.000 0.896 125 L HN 0.144 nan 8.230 nan 0.000 0.432 126 F N 0.503 120.462 119.950 0.014 0.000 2.134 126 F HA -0.247 4.280 4.527 0.000 0.000 0.299 126 F C 2.445 178.235 175.800 -0.016 0.000 1.097 126 F CA 1.594 59.604 58.000 0.016 0.000 1.264 126 F CB -0.182 38.874 39.000 0.093 0.000 1.001 126 F HN -0.056 nan 8.300 nan 0.000 0.479 127 M N 0.099 119.648 119.600 -0.084 0.000 2.175 127 M HA -0.200 4.280 4.480 0.000 0.000 0.264 127 M C 2.345 178.468 176.300 -0.296 0.000 1.063 127 M CA 1.733 56.873 55.300 -0.268 0.000 1.119 127 M CB -0.539 32.005 32.600 -0.092 0.000 1.377 127 M HN 0.120 nan 8.290 nan 0.000 0.415 128 K N 1.066 121.343 120.400 -0.204 0.000 2.032 128 K HA -0.184 4.136 4.320 0.000 0.000 0.209 128 K C 1.413 177.878 176.600 -0.226 0.000 1.048 128 K CA 1.966 58.135 56.287 -0.197 0.000 0.927 128 K CB -0.224 32.152 32.500 -0.207 0.000 0.712 128 K HN 0.479 nan 8.250 nan 0.000 0.441 129 N N -0.035 118.509 118.700 -0.260 0.000 2.104 129 N HA -0.129 4.611 4.740 0.000 0.000 0.190 129 N C 1.803 177.140 175.510 -0.289 0.000 1.024 129 N CA 1.455 54.355 53.050 -0.250 0.000 0.853 129 N CB -0.096 38.248 38.487 -0.239 0.000 1.008 129 N HN 0.111 nan 8.380 nan 0.000 0.424 130 S N 0.911 116.350 115.700 -0.435 0.000 2.402 130 S HA 0.029 4.499 4.470 0.000 0.000 0.229 130 S C 1.937 176.419 174.600 -0.198 0.000 1.021 130 S CA 0.629 58.605 58.200 -0.373 0.000 0.974 130 S CB -0.105 62.760 63.200 -0.557 0.000 0.800 130 S HN 0.244 nan 8.310 nan 0.000 0.484 131 L N 0.835 121.943 121.223 -0.192 0.000 2.217 131 L HA -0.018 4.322 4.340 0.000 0.000 0.211 131 L C 2.346 179.161 176.870 -0.092 0.000 1.107 131 L CA 0.676 55.459 54.840 -0.095 0.000 0.783 131 L CB -0.387 41.604 42.059 -0.113 0.000 0.919 131 L HN 0.253 nan 8.230 nan 0.000 0.442 132 S N -0.145 115.479 115.700 -0.126 0.000 2.371 132 S HA -0.054 4.416 4.470 0.000 0.000 0.224 132 S C 1.967 176.486 174.600 -0.135 0.000 1.029 132 S CA 0.691 58.822 58.200 -0.114 0.000 0.978 132 S CB 0.012 63.142 63.200 -0.117 0.000 0.833 132 S HN 0.195 nan 8.310 nan 0.000 0.466 133 I N 1.997 122.464 120.570 -0.172 0.000 2.142 133 I HA -0.144 4.026 4.170 0.000 0.000 0.240 133 I C 2.171 178.076 176.117 -0.353 0.000 1.078 133 I CA 1.388 62.522 61.300 -0.276 0.000 1.343 133 I CB -1.169 36.689 38.000 -0.236 0.000 1.046 133 I HN 0.277 nan 8.210 nan 0.000 0.405 134 I N 0.142 120.627 120.570 -0.141 0.000 2.208 134 I HA -0.329 3.841 4.170 0.000 0.000 0.245 134 I C 2.799 178.947 176.117 0.053 0.000 1.097 134 I CA 1.511 62.826 61.300 0.025 0.000 1.363 134 I CB -0.361 37.750 38.000 0.186 0.000 1.051 134 I HN 0.219 nan 8.210 nan 0.000 0.413 135 S N 0.133 115.836 115.700 0.006 0.000 2.368 135 S HA -0.191 4.279 4.470 0.000 0.000 0.225 135 S C 2.054 176.664 174.600 0.016 0.000 1.030 135 S CA 2.242 60.454 58.200 0.021 0.000 0.999 135 S CB -0.312 62.875 63.200 -0.022 0.000 0.844 135 S HN 0.437 nan 8.310 nan 0.000 0.459 136 T N 0.841 115.367 114.554 -0.046 0.000 2.746 136 T HA -0.074 4.276 4.350 0.000 0.000 0.267 136 T C 1.427 176.176 174.700 0.081 0.000 1.039 136 T CA 1.727 63.813 62.100 -0.022 0.000 1.142 136 T CB -0.543 68.272 68.868 -0.089 0.000 0.866 136 T HN 0.667 nan 8.240 nan 0.000 0.444 137 H N 0.217 119.311 119.070 0.040 0.000 2.357 137 H HA 0.110 4.666 4.556 0.000 0.000 0.301 137 H C 2.394 177.750 175.328 0.047 0.000 1.082 137 H CA 0.725 56.798 56.048 0.041 0.000 1.342 137 H CB -0.065 29.726 29.762 0.048 0.000 1.389 137 H HN 0.135 nan 8.280 nan 0.000 0.511 138 L N 0.728 122.066 121.223 0.191 0.000 2.046 138 L HA -0.175 4.165 4.340 0.000 0.000 0.208 138 L C 2.326 179.254 176.870 0.096 0.000 1.077 138 L CA 0.867 55.791 54.840 0.139 0.000 0.747 138 L CB -0.119 42.039 42.059 0.164 0.000 0.896 138 L HN 0.274 nan 8.230 nan 0.000 0.432 139 L N -0.039 121.233 121.223 0.083 0.000 2.083 139 L HA -0.253 4.087 4.340 0.000 0.000 0.209 139 L C 2.429 179.330 176.870 0.051 0.000 1.083 139 L CA 1.893 56.767 54.840 0.056 0.000 0.752 139 L CB -0.590 41.494 42.059 0.041 0.000 0.899 139 L HN 0.308 nan 8.230 nan 0.000 0.433 140 Q N -0.350 119.491 119.800 0.068 0.000 2.084 140 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 140 Q C 2.231 178.254 176.000 0.039 0.000 0.978 140 Q CA 2.235 58.072 55.803 0.057 0.000 0.844 140 Q CB -0.557 28.226 28.738 0.076 0.000 0.898 140 Q HN 0.658 nan 8.270 nan 0.000 0.426 141 L N -0.397 120.851 121.223 0.042 0.000 1.994 141 L HA -0.165 4.175 4.340 0.000 0.000 0.208 141 L C 2.164 179.040 176.870 0.010 0.000 1.071 141 L CA 1.463 56.316 54.840 0.021 0.000 0.745 141 L CB -0.294 41.777 42.059 0.021 0.000 0.892 141 L HN 0.365 nan 8.230 nan 0.000 0.431 142 I N 0.146 120.726 120.570 0.016 0.000 2.151 142 I HA -0.388 3.782 4.170 0.000 0.000 0.243 142 I C 2.625 178.742 176.117 0.000 0.000 1.080 142 I CA 1.798 63.100 61.300 0.003 0.000 1.339 142 I CB -0.448 37.559 38.000 0.012 0.000 1.039 142 I HN 0.327 nan 8.210 nan 0.000 0.409 143 K N 0.775 121.182 120.400 0.011 0.000 2.147 143 K HA -0.195 4.125 4.320 0.000 0.000 0.205 143 K C 2.117 178.723 176.600 0.010 0.000 1.049 143 K CA 1.960 58.253 56.287 0.011 0.000 0.936 143 K CB -0.095 32.416 32.500 0.018 0.000 0.722 143 K HN 0.496 nan 8.250 nan 0.000 0.446 144 T N -1.043 113.518 114.554 0.011 0.000 2.904 144 T HA -0.047 4.303 4.350 0.000 0.000 0.267 144 T C 1.946 176.651 174.700 0.007 0.000 1.059 144 T CA 0.722 62.831 62.100 0.015 0.000 1.137 144 T CB -0.204 68.674 68.868 0.018 0.000 0.879 144 T HN 0.148 nan 8.240 nan 0.000 0.467 145 L N 0.647 121.863 121.223 -0.012 0.000 2.044 145 L HA 0.004 4.344 4.340 0.000 0.000 0.205 145 L C 2.983 179.829 176.870 -0.041 0.000 1.075 145 L CA 0.809 55.626 54.840 -0.038 0.000 0.747 145 L CB -0.547 41.475 42.059 -0.062 0.000 0.903 145 L HN 0.151 nan 8.230 nan 0.000 0.435 146 V N -0.058 119.839 119.914 -0.029 0.000 2.295 146 V HA -0.315 3.805 4.120 0.000 0.000 0.246 146 V C 2.453 178.543 176.094 -0.007 0.000 1.049 146 V CA 2.098 64.383 62.300 -0.024 0.000 1.024 146 V CB -0.516 31.298 31.823 -0.016 0.000 0.648 146 V HN 0.507 nan 8.190 nan 0.000 0.447 147 E N 0.254 120.457 120.200 0.005 0.000 2.077 147 E HA -0.290 4.061 4.350 0.000 0.000 0.193 147 E C 2.423 179.040 176.600 0.030 0.000 0.989 147 E CA 1.580 57.991 56.400 0.018 0.000 0.800 147 E CB -0.103 29.610 29.700 0.022 0.000 0.746 147 E HN 0.484 nan 8.360 nan 0.000 0.452 148 R N -0.152 120.367 120.500 0.032 0.000 2.115 148 R HA -0.063 4.277 4.340 0.000 0.000 0.230 148 R C 2.144 178.477 176.300 0.055 0.000 1.111 148 R CA 1.169 57.306 56.100 0.062 0.000 0.976 148 R CB -0.208 30.141 30.300 0.081 0.000 0.870 148 R HN 0.193 nan 8.270 nan 0.000 0.445 149 A N 0.476 123.296 122.820 0.000 0.000 1.969 149 A HA -0.043 4.277 4.320 0.000 0.000 0.218 149 A C 2.266 179.866 177.584 0.025 0.000 1.169 149 A CA 1.432 53.459 52.037 -0.017 0.000 0.635 149 A CB -0.591 18.374 19.000 -0.059 0.000 0.810 149 A HN 0.514 nan 8.150 nan 0.000 0.445 150 A N 0.859 123.696 122.820 0.027 0.000 1.873 150 A HA -0.081 4.239 4.320 0.000 0.000 0.215 150 A C 2.161 179.776 177.584 0.050 0.000 1.186 150 A CA 1.552 53.609 52.037 0.033 0.000 0.616 150 A CB -0.750 18.266 19.000 0.027 0.000 0.823 150 A HN 0.932 nan 8.150 nan 0.000 0.442 151 I N -2.942 117.665 120.570 0.062 0.000 2.353 151 I HA -0.054 4.116 4.170 0.000 0.000 0.248 151 I C 1.222 177.395 176.117 0.094 0.000 1.119 151 I CA 1.692 63.034 61.300 0.071 0.000 1.417 151 I CB -0.456 37.587 38.000 0.070 0.000 1.078 151 I HN 0.223 nan 8.210 nan 0.000 0.421 152 E N 1.207 121.489 120.200 0.137 0.000 2.335 152 E HA 0.191 4.541 4.350 0.000 0.000 0.191 152 E C 1.657 178.373 176.600 0.193 0.000 1.077 152 E CA -0.158 56.359 56.400 0.194 0.000 1.010 152 E CB 0.245 30.155 29.700 0.351 0.000 1.141 152 E HN 0.584 nan 8.360 nan 0.000 0.452 153 I N 0.957 121.601 120.570 0.122 0.000 2.700 153 I HA -0.220 3.950 4.170 0.000 0.000 0.261 153 I C 0.859 177.034 176.117 0.097 0.000 1.219 153 I CA 1.180 62.541 61.300 0.101 0.000 1.463 153 I CB 0.300 38.341 38.000 0.067 0.000 1.092 153 I HN 0.061 nan 8.210 nan 0.000 0.452 154 D N 0.399 120.852 120.400 0.089 0.000 2.340 154 D HA 0.080 4.720 4.640 0.000 0.000 0.220 154 D C 0.530 176.868 176.300 0.064 0.000 1.039 154 D CA 0.279 54.321 54.000 0.069 0.000 0.866 154 D CB 0.365 41.196 40.800 0.051 0.000 0.913 154 D HN 0.131 nan 8.370 nan 0.000 0.523 155 V N 2.086 122.054 119.914 0.090 0.000 2.530 155 V HA 0.181 4.301 4.120 0.000 0.000 0.282 155 V C 0.535 176.664 176.094 0.059 0.000 1.048 155 V CA -0.095 62.235 62.300 0.050 0.000 0.997 155 V CB 1.394 33.242 31.823 0.041 0.000 0.987 155 V HN -0.060 nan 8.190 nan 0.000 0.477 156 I N 6.218 126.770 120.570 -0.030 0.000 2.509 156 I HA 0.669 4.839 4.170 0.000 0.000 0.293 156 I C -0.350 175.653 176.117 -0.190 0.000 1.020 156 I CA -0.537 60.731 61.300 -0.052 0.000 1.088 156 I CB 1.794 39.777 38.000 -0.027 0.000 1.267 156 I HN 0.581 nan 8.210 nan 0.000 0.430 157 L N 3.930 125.030 121.223 -0.205 0.000 2.654 157 L HA 0.791 5.131 4.340 0.000 0.000 0.257 157 L C -3.038 173.659 176.870 -0.288 0.000 1.093 157 L CA -2.240 52.377 54.840 -0.372 0.000 0.903 157 L CB 1.875 43.585 42.059 -0.582 0.000 1.520 157 L HN 0.145 nan 8.230 nan 0.000 0.402 158 P HA 0.278 nan 4.420 nan 0.000 0.276 158 P C -0.573 176.525 177.300 -0.337 0.000 1.230 158 P CA 0.101 62.995 63.100 -0.343 0.000 0.776 158 P CB 1.051 32.505 31.700 -0.411 0.000 0.888 159 G N 2.248 110.878 108.800 -0.283 0.000 2.348 159 G HA2 0.496 4.456 3.960 0.000 0.000 0.312 159 G HA3 0.496 4.456 3.960 0.000 0.000 0.312 159 G C -1.438 173.324 174.900 -0.231 0.000 1.126 159 G CA -0.200 44.836 45.100 -0.107 0.000 0.865 159 G HN 0.312 nan 8.290 nan 0.000 0.474 160 Y N 0.176 120.573 120.300 0.161 0.000 2.457 160 Y HA 0.632 5.182 4.550 0.000 0.000 0.333 160 Y C 0.705 176.679 175.900 0.123 0.000 1.119 160 Y CA -0.621 57.574 58.100 0.159 0.000 1.143 160 Y CB 2.684 41.278 38.460 0.222 0.000 1.230 160 Y HN 0.392 nan 8.280 nan 0.000 0.469 161 T N 3.307 118.015 114.554 0.257 0.000 2.949 161 T HA 0.230 4.580 4.350 0.000 0.000 0.300 161 T C -0.513 174.289 174.700 0.170 0.000 0.988 161 T CA -1.040 61.161 62.100 0.168 0.000 0.993 161 T CB 0.387 69.319 68.868 0.108 0.000 0.984 161 T HN 0.723 nan 8.240 nan 0.000 0.442 162 N N 2.557 121.341 118.700 0.140 0.000 2.725 162 N HA -0.165 4.575 4.740 0.000 0.000 0.249 162 N C 0.513 176.113 175.510 0.150 0.000 1.103 162 N CA 0.537 53.656 53.050 0.115 0.000 0.707 162 N CB -1.049 37.494 38.487 0.093 0.000 1.043 162 N HN 0.905 nan 8.380 nan 0.000 0.553 163 L N -2.839 118.506 121.223 0.203 0.000 4.001 163 L HA -0.307 4.033 4.340 0.000 0.000 0.413 163 L C -0.139 176.964 176.870 0.389 0.000 1.185 163 L CA 1.435 56.417 54.840 0.237 0.000 0.963 163 L CB -0.600 41.520 42.059 0.102 0.000 1.976 163 L HN 0.318 nan 8.230 nan 0.000 0.939 164 Q N 0.369 120.402 119.800 0.387 0.000 2.337 164 Q HA 0.384 4.724 4.340 0.000 0.000 0.266 164 Q C -0.041 176.102 176.000 0.238 0.000 1.023 164 Q CA -0.608 55.374 55.803 0.300 0.000 0.829 164 Q CB 1.863 30.699 28.738 0.162 0.000 1.306 164 Q HN 0.123 nan 8.270 nan 0.000 0.449 165 K N 1.043 121.500 120.400 0.095 0.000 2.491 165 K HA 0.064 4.384 4.320 0.000 0.000 0.279 165 K C 0.342 176.892 176.600 -0.083 0.000 1.026 165 K CA 0.302 56.476 56.287 -0.189 0.000 1.070 165 K CB 0.509 32.929 32.500 -0.135 0.000 0.887 165 K HN 0.695 nan 8.250 nan 0.000 0.481 166 A N 4.200 126.945 122.820 -0.125 0.000 2.283 166 A HA 0.094 4.414 4.320 0.000 0.000 0.225 166 A C -0.115 177.456 177.584 -0.023 0.000 2.109 166 A CA 0.358 52.377 52.037 -0.030 0.000 0.889 166 A CB 0.357 19.355 19.000 -0.003 0.000 1.437 166 A HN 0.710 nan 8.150 nan 0.000 0.595 167 Q N -0.447 119.326 119.800 -0.046 0.000 2.421 167 Q HA 0.452 4.792 4.340 0.000 0.000 0.280 167 Q C -2.882 173.090 176.000 -0.048 0.000 1.085 167 Q CA -2.292 53.504 55.803 -0.013 0.000 0.807 167 Q CB 2.041 30.775 28.738 -0.007 0.000 1.405 167 Q HN 0.152 nan 8.270 nan 0.000 0.419 168 P HA 0.070 nan 4.420 nan 0.000 0.268 168 P C -0.899 176.388 177.300 -0.022 0.000 1.204 168 P CA 0.370 63.465 63.100 -0.008 0.000 0.768 168 P CB 0.299 32.079 31.700 0.133 0.000 0.842 169 I N -0.870 119.677 120.570 -0.038 0.000 3.074 169 I HA 0.610 4.780 4.170 0.000 0.000 0.310 169 I C -0.579 175.558 176.117 0.034 0.000 1.153 169 I CA -1.727 59.565 61.300 -0.012 0.000 0.993 169 I CB 2.513 40.513 38.000 -0.000 0.000 1.237 169 I HN 0.040 nan 8.210 nan 0.000 0.443 170 R N 2.077 122.617 120.500 0.066 0.000 2.441 170 R HA 0.126 4.466 4.340 0.000 0.000 0.284 170 R C 0.589 177.006 176.300 0.195 0.000 1.070 170 R CA -0.412 55.756 56.100 0.113 0.000 1.047 170 R CB 1.190 31.548 30.300 0.097 0.000 1.016 170 R HN 0.880 nan 8.270 nan 0.000 0.477 171 W N 3.000 124.311 121.300 0.018 0.000 2.350 171 W HA -0.219 4.441 4.660 0.000 0.000 0.289 171 W C 0.627 177.257 176.519 0.186 0.000 1.215 171 W CA 1.499 58.887 57.345 0.072 0.000 1.236 171 W CB 0.148 29.613 29.460 0.008 0.000 1.130 171 W HN 0.519 nan 8.180 nan 0.000 0.541 172 S N 0.581 116.317 115.700 0.059 0.000 2.383 172 S HA -0.285 4.185 4.470 0.000 0.000 0.227 172 S C 1.546 176.103 174.600 -0.072 0.000 1.026 172 S CA 1.784 59.937 58.200 -0.078 0.000 0.981 172 S CB -0.528 62.679 63.200 0.012 0.000 0.818 172 S HN 0.310 nan 8.310 nan 0.000 0.472 173 Q N 0.883 120.687 119.800 0.006 0.000 2.124 173 Q HA -0.094 4.246 4.340 0.000 0.000 0.202 173 Q C 1.731 177.714 176.000 -0.028 0.000 0.977 173 Q CA 1.476 57.274 55.803 -0.009 0.000 0.850 173 Q CB -0.543 28.207 28.738 0.020 0.000 0.901 173 Q HN 0.548 nan 8.270 nan 0.000 0.429 174 F N -0.145 119.730 119.950 -0.125 0.000 2.102 174 F HA -0.133 4.394 4.527 0.000 0.000 0.298 174 F C 1.448 177.120 175.800 -0.212 0.000 1.105 174 F CA 1.423 59.345 58.000 -0.131 0.000 1.239 174 F CB -0.212 38.768 39.000 -0.034 0.000 0.991 174 F HN 0.114 nan 8.300 nan 0.000 0.474 175 L N -0.109 120.870 121.223 -0.406 0.000 2.056 175 L HA -0.202 4.138 4.340 0.000 0.000 0.207 175 L C 2.462 179.151 176.870 -0.302 0.000 1.078 175 L CA 1.097 55.675 54.840 -0.436 0.000 0.749 175 L CB -0.801 41.019 42.059 -0.398 0.000 0.901 175 L HN 0.210 nan 8.230 nan 0.000 0.433 176 L N -0.277 120.807 121.223 -0.231 0.000 2.275 176 L HA -0.146 4.194 4.340 0.000 0.000 0.215 176 L C 2.822 179.564 176.870 -0.213 0.000 1.119 176 L CA 1.105 55.842 54.840 -0.172 0.000 0.790 176 L CB -0.533 41.458 42.059 -0.114 0.000 0.919 176 L HN 0.401 nan 8.230 nan 0.000 0.443 177 S N -1.572 113.937 115.700 -0.318 0.000 2.383 177 S HA -0.187 4.283 4.470 0.000 0.000 0.227 177 S C 1.913 176.248 174.600 -0.441 0.000 1.026 177 S CA 0.745 58.719 58.200 -0.375 0.000 0.981 177 S CB -0.474 62.455 63.200 -0.451 0.000 0.818 177 S HN 0.455 nan 8.310 nan 0.000 0.472 178 H N 1.700 120.556 119.070 -0.358 0.000 2.395 178 H HA 0.277 4.833 4.556 0.000 0.000 0.299 178 H C 2.671 177.846 175.328 -0.254 0.000 1.070 178 H CA 1.196 57.046 56.048 -0.331 0.000 1.356 178 H CB -0.754 28.783 29.762 -0.376 0.000 1.401 178 H HN 0.590 nan 8.280 nan 0.000 0.524 179 A N 0.859 123.616 122.820 -0.106 0.000 1.933 179 A HA -0.108 4.212 4.320 0.000 0.000 0.218 179 A C 2.793 180.320 177.584 -0.095 0.000 1.175 179 A CA 1.496 53.481 52.037 -0.086 0.000 0.628 179 A CB -0.826 18.125 19.000 -0.081 0.000 0.814 179 A HN 0.198 nan 8.150 nan 0.000 0.444 180 V N -0.212 119.627 119.914 -0.125 0.000 2.343 180 V HA -0.240 3.880 4.120 0.000 0.000 0.247 180 V C 3.049 179.062 176.094 -0.135 0.000 1.051 180 V CA 1.907 64.140 62.300 -0.111 0.000 1.036 180 V CB -1.183 30.571 31.823 -0.116 0.000 0.654 180 V HN 0.617 nan 8.190 nan 0.000 0.451 181 A N -0.265 122.416 122.820 -0.231 0.000 1.902 181 A HA -0.142 4.178 4.320 0.000 0.000 0.217 181 A C 2.184 179.593 177.584 -0.291 0.000 1.181 181 A CA 1.675 53.471 52.037 -0.402 0.000 0.623 181 A CB -0.529 18.003 19.000 -0.780 0.000 0.818 181 A HN 0.512 nan 8.150 nan 0.000 0.443 182 L N 0.113 121.236 121.223 -0.167 0.000 2.201 182 L HA -0.140 4.200 4.340 0.000 0.000 0.212 182 L C 2.877 179.775 176.870 0.046 0.000 1.105 182 L CA 1.632 56.470 54.840 -0.004 0.000 0.775 182 L CB -0.796 41.263 42.059 -0.001 0.000 0.913 182 L HN 0.669 nan 8.230 nan 0.000 0.440 183 T N -3.196 111.362 114.554 0.007 0.000 2.995 183 T HA -0.136 4.214 4.350 0.000 0.000 0.269 183 T C 1.949 176.682 174.700 0.054 0.000 1.091 183 T CA 0.569 62.685 62.100 0.028 0.000 1.128 183 T CB -0.166 68.703 68.868 0.002 0.000 0.891 183 T HN 0.289 nan 8.240 nan 0.000 0.492 184 R N 1.022 121.558 120.500 0.060 0.000 2.119 184 R HA 0.015 4.355 4.340 0.000 0.000 0.222 184 R C 2.039 178.438 176.300 0.165 0.000 1.088 184 R CA 1.319 57.476 56.100 0.095 0.000 0.984 184 R CB -0.186 30.172 30.300 0.097 0.000 0.884 184 R HN 0.493 nan 8.270 nan 0.000 0.447 185 D N 0.068 120.603 120.400 0.225 0.000 2.117 185 D HA -0.131 4.509 4.640 0.000 0.000 0.198 185 D C 1.799 178.327 176.300 0.381 0.000 0.982 185 D CA 1.202 55.415 54.000 0.354 0.000 0.828 185 D CB -0.202 40.791 40.800 0.321 0.000 0.967 185 D HN 0.044 nan 8.370 nan 0.000 0.464 186 S N 0.408 116.244 115.700 0.227 0.000 2.382 186 S HA -0.207 4.263 4.470 0.000 0.000 0.228 186 S C 1.855 176.483 174.600 0.047 0.000 1.027 186 S CA 1.357 59.632 58.200 0.125 0.000 0.991 186 S CB -0.033 63.218 63.200 0.086 0.000 0.823 186 S HN 0.219 nan 8.310 nan 0.000 0.469 187 E N 0.237 120.475 120.200 0.062 0.000 2.077 187 E HA -0.122 4.228 4.350 0.000 0.000 0.193 187 E C 2.465 179.077 176.600 0.021 0.000 0.989 187 E CA 0.817 57.237 56.400 0.034 0.000 0.800 187 E CB -0.065 29.662 29.700 0.044 0.000 0.746 187 E HN 0.449 nan 8.360 nan 0.000 0.452 188 R N 0.294 120.833 120.500 0.064 0.000 2.096 188 R HA -0.112 4.228 4.340 0.000 0.000 0.235 188 R C 2.621 178.849 176.300 -0.120 0.000 1.127 188 R CA 1.035 57.169 56.100 0.055 0.000 0.968 188 R CB -0.340 30.090 30.300 0.215 0.000 0.861 188 R HN 0.293 nan 8.270 nan 0.000 0.440 189 L N -0.053 120.980 121.223 -0.316 0.000 2.042 189 L HA -0.132 4.208 4.340 0.000 0.000 0.210 189 L C 2.165 178.863 176.870 -0.287 0.000 1.076 189 L CA 1.837 56.282 54.840 -0.658 0.000 0.749 189 L CB -0.595 41.075 42.059 -0.648 0.000 0.893 189 L HN 0.303 nan 8.230 nan 0.000 0.432 190 G N -0.881 107.830 108.800 -0.149 0.000 2.402 190 G HA2 -0.235 3.725 3.960 0.000 0.000 0.216 190 G HA3 -0.235 3.725 3.960 0.000 0.000 0.216 190 G C 1.286 176.151 174.900 -0.059 0.000 1.162 190 G CA 0.703 45.751 45.100 -0.086 0.000 0.777 190 G HN 0.518 nan 8.290 nan 0.000 0.539 191 E N 0.046 120.219 120.200 -0.045 0.000 2.110 191 E HA -0.086 4.264 4.350 0.000 0.000 0.193 191 E C 2.635 179.233 176.600 -0.002 0.000 0.988 191 E CA 0.931 57.324 56.400 -0.012 0.000 0.804 191 E CB -0.119 29.585 29.700 0.006 0.000 0.745 191 E HN 0.322 nan 8.360 nan 0.000 0.458 192 V N 1.483 121.384 119.914 -0.022 0.000 2.379 192 V HA -0.221 3.899 4.120 0.000 0.000 0.245 192 V C 2.354 178.462 176.094 0.022 0.000 1.044 192 V CA 1.627 63.941 62.300 0.024 0.000 1.036 192 V CB -0.358 31.484 31.823 0.032 0.000 0.664 192 V HN 0.174 nan 8.190 nan 0.000 0.453 193 K N 0.244 120.625 120.400 -0.032 0.000 2.103 193 K HA -0.237 4.083 4.320 0.000 0.000 0.207 193 K C 2.177 178.768 176.600 -0.014 0.000 1.048 193 K CA 1.573 57.837 56.287 -0.037 0.000 0.930 193 K CB -0.073 32.383 32.500 -0.075 0.000 0.716 193 K HN 0.422 nan 8.250 nan 0.000 0.444 194 K N 0.066 120.462 120.400 -0.006 0.000 2.002 194 K HA -0.131 4.190 4.320 0.000 0.000 0.209 194 K C 2.206 178.823 176.600 0.029 0.000 1.048 194 K CA 1.542 57.834 56.287 0.008 0.000 0.930 194 K CB -0.109 32.396 32.500 0.008 0.000 0.714 194 K HN 0.118 nan 8.250 nan 0.000 0.438 195 R N 0.548 121.074 120.500 0.043 0.000 2.189 195 R HA 0.011 4.351 4.340 0.000 0.000 0.223 195 R C 2.130 178.466 176.300 0.060 0.000 1.092 195 R CA 0.780 56.916 56.100 0.059 0.000 0.989 195 R CB -0.112 30.237 30.300 0.082 0.000 0.876 195 R HN 0.242 nan 8.270 nan 0.000 0.457 196 I N 0.196 120.801 120.570 0.058 0.000 2.716 196 I HA -0.163 4.007 4.170 0.000 0.000 0.259 196 I C 1.235 177.389 176.117 0.063 0.000 1.172 196 I CA 0.677 61.993 61.300 0.026 0.000 1.478 196 I CB -0.170 37.850 38.000 0.035 0.000 1.104 196 I HN 0.173 nan 8.210 nan 0.000 0.439 197 N N 1.565 120.307 118.700 0.070 0.000 2.878 197 N HA 0.098 4.838 4.740 0.000 0.000 0.282 197 N C -0.942 174.734 175.510 0.276 0.000 1.284 197 N CA -0.111 53.013 53.050 0.124 0.000 1.053 197 N CB 0.238 38.734 38.487 0.015 0.000 1.382 197 N HN -0.041 nan 8.380 nan 0.000 0.529 198 V N 2.205 122.293 119.914 0.291 0.000 2.531 198 V HA 0.222 4.342 4.120 0.000 0.000 0.301 198 V C -0.086 175.866 176.094 -0.236 0.000 1.034 198 V CA -0.962 61.392 62.300 0.091 0.000 0.865 198 V CB 1.789 33.611 31.823 -0.003 0.000 0.995 198 V HN 0.181 nan 8.190 nan 0.000 0.424 199 L N 9.287 130.167 121.223 -0.572 0.000 2.477 199 L HA 0.346 4.686 4.340 0.000 0.000 0.272 199 L C -1.381 175.152 176.870 -0.562 0.000 1.157 199 L CA -0.216 53.964 54.840 -1.100 0.000 0.889 199 L CB 0.830 42.442 42.059 -0.745 0.000 1.158 199 L HN 0.448 nan 8.230 nan 0.000 0.473 200 P HA 0.003 nan 4.420 nan 0.000 0.252 200 P C 0.252 177.415 177.300 -0.229 0.000 1.211 200 P CA -0.183 62.745 63.100 -0.287 0.000 0.824 200 P CB 0.335 31.885 31.700 -0.251 0.000 1.077 201 L N 1.447 122.509 121.223 -0.270 0.000 2.513 201 L HA 0.362 4.702 4.340 0.000 0.000 0.272 201 L C 1.190 177.986 176.870 -0.125 0.000 1.187 201 L CA 1.808 56.537 54.840 -0.185 0.000 0.895 201 L CB -0.775 41.190 42.059 -0.156 0.000 1.147 201 L HN 0.392 nan 8.230 nan 0.000 0.483 202 G N 2.154 110.893 108.800 -0.103 0.000 2.183 202 G HA2 -0.221 3.739 3.960 0.000 0.000 0.168 202 G HA3 -0.221 3.739 3.960 0.000 0.000 0.168 202 G C 0.757 175.630 174.900 -0.044 0.000 1.008 202 G CA 0.172 45.250 45.100 -0.037 0.000 0.677 202 G HN 0.635 nan 8.290 nan 0.000 0.498 203 S N 0.244 115.902 115.700 -0.070 0.000 2.548 203 S HA 0.461 4.931 4.470 0.000 0.000 0.215 203 S C 1.896 176.466 174.600 -0.050 0.000 0.976 203 S CA 1.223 59.390 58.200 -0.054 0.000 0.908 203 S CB 0.203 63.369 63.200 -0.057 0.000 0.781 203 S HN 2.179 nan 8.310 nan 0.000 0.519 204 G N 1.784 110.543 108.800 -0.069 0.000 2.575 204 G HA2 -0.214 3.746 3.960 0.000 0.000 0.267 204 G HA3 -0.214 3.746 3.960 0.000 0.000 0.267 204 G C 0.922 175.776 174.900 -0.077 0.000 1.264 204 G CA -0.031 45.028 45.100 -0.069 0.000 0.935 204 G HN 0.647 nan 8.290 nan 0.000 0.568 205 A N -1.070 121.714 122.820 -0.061 0.000 1.930 205 A HA 0.368 4.688 4.320 0.000 0.000 0.217 205 A C 2.259 179.822 177.584 -0.035 0.000 1.175 205 A CA 3.640 55.639 52.037 -0.063 0.000 0.627 205 A CB -0.387 18.591 19.000 -0.037 0.000 0.815 205 A HN 2.157 nan 8.150 nan 0.000 0.443 206 L N -7.177 114.037 121.223 -0.015 0.000 2.899 206 L HA 0.395 4.735 4.340 0.000 0.000 0.329 206 L C 1.615 178.488 176.870 0.005 0.000 1.061 206 L CA 0.573 55.416 54.840 0.006 0.000 1.569 206 L CB -0.424 41.654 42.059 0.031 0.000 2.617 206 L HN 0.034 nan 8.230 nan 0.000 0.549 207 A N 1.096 123.917 122.820 0.001 0.000 2.238 207 A HA 0.695 5.015 4.320 0.000 0.000 0.210 207 A C 1.202 178.784 177.584 -0.003 0.000 1.179 207 A CA 0.913 52.951 52.037 0.002 0.000 0.827 207 A CB -0.416 18.586 19.000 0.004 0.000 0.856 207 A HN 1.252 nan 8.150 nan 0.000 0.488 208 G N -0.519 108.276 108.800 -0.009 0.000 2.408 208 G HA2 -0.074 3.886 3.960 0.000 0.000 0.682 208 G HA3 -0.074 3.886 3.960 0.000 0.000 0.682 208 G C -0.769 174.127 174.900 -0.006 0.000 1.303 208 G CA -0.325 44.768 45.100 -0.011 0.000 0.966 208 G HN 0.429 nan 8.290 nan 0.000 0.560 209 N N 1.523 120.225 118.700 0.003 0.000 2.411 209 N HA 0.313 5.053 4.740 0.000 0.000 0.259 209 N C -0.453 175.070 175.510 0.021 0.000 1.103 209 N CA -1.025 52.039 53.050 0.024 0.000 0.954 209 N CB 1.600 40.120 38.487 0.055 0.000 1.085 209 N HN 0.354 nan 8.380 nan 0.000 0.485 210 P HA -0.020 nan 4.420 nan 0.000 0.229 210 P C 0.701 178.009 177.300 0.014 0.000 1.160 210 P CA 0.702 63.811 63.100 0.014 0.000 0.777 210 P CB 0.465 32.173 31.700 0.013 0.000 0.814 211 L N 0.251 121.487 121.223 0.021 0.000 2.783 211 L HA 0.192 4.532 4.340 0.000 0.000 0.236 211 L C 0.441 177.310 176.870 -0.002 0.000 1.225 211 L CA -0.273 54.572 54.840 0.008 0.000 1.026 211 L CB -1.087 40.977 42.059 0.008 0.000 1.314 211 L HN -0.067 nan 8.230 nan 0.000 0.489 212 D N 1.750 122.152 120.400 0.002 0.000 2.720 212 D HA -0.256 4.385 4.640 0.000 0.000 0.229 212 D C 0.102 176.396 176.300 -0.010 0.000 1.198 212 D CA 0.468 54.466 54.000 -0.003 0.000 0.639 212 D CB -0.528 40.267 40.800 -0.008 0.000 1.003 212 D HN 0.184 nan 8.370 nan 0.000 0.411 213 I N 1.065 121.635 120.570 -0.001 0.000 2.692 213 I HA 0.045 4.215 4.170 0.000 0.000 0.284 213 I C 0.522 176.633 176.117 -0.011 0.000 1.159 213 I CA -0.159 61.132 61.300 -0.015 0.000 1.423 213 I CB 0.736 38.753 38.000 0.028 0.000 1.380 213 I HN 0.068 nan 8.210 nan 0.000 0.580 214 D N 6.370 126.755 120.400 -0.026 0.000 2.383 214 D HA 0.110 4.750 4.640 0.000 0.000 0.245 214 D C 1.027 177.323 176.300 -0.006 0.000 1.263 214 D CA 0.195 54.184 54.000 -0.017 0.000 0.936 214 D CB 0.408 41.194 40.800 -0.023 0.000 1.053 214 D HN 0.455 nan 8.370 nan 0.000 0.507 215 R N 2.496 122.994 120.500 -0.004 0.000 2.148 215 R HA -0.130 4.210 4.340 0.000 0.000 0.227 215 R C 1.505 177.801 176.300 -0.006 0.000 1.103 215 R CA 0.815 56.911 56.100 -0.007 0.000 0.983 215 R CB 0.018 30.305 30.300 -0.022 0.000 0.874 215 R HN 0.409 nan 8.270 nan 0.000 0.451 216 E N 1.640 121.838 120.200 -0.003 0.000 2.077 216 E HA -0.199 4.152 4.350 0.000 0.000 0.193 216 E C 1.878 178.486 176.600 0.013 0.000 0.989 216 E CA 1.415 57.817 56.400 0.004 0.000 0.800 216 E CB -0.168 29.533 29.700 0.002 0.000 0.746 216 E HN 0.231 nan 8.360 nan 0.000 0.452 217 M N -0.388 119.216 119.600 0.007 0.000 2.159 217 M HA -0.105 4.375 4.480 0.000 0.000 0.263 217 M C 1.888 178.205 176.300 0.027 0.000 1.063 217 M CA 1.326 56.633 55.300 0.010 0.000 1.110 217 M CB -0.034 32.563 32.600 -0.005 0.000 1.374 217 M HN 0.221 nan 8.290 nan 0.000 0.411 218 L N -0.613 120.628 121.223 0.030 0.000 2.093 218 L HA -0.208 4.132 4.340 0.000 0.000 0.208 218 L C 2.727 179.645 176.870 0.080 0.000 1.085 218 L CA 1.253 56.126 54.840 0.054 0.000 0.755 218 L CB -0.793 41.294 42.059 0.047 0.000 0.904 218 L HN 0.386 nan 8.230 nan 0.000 0.435 219 R N -0.178 120.359 120.500 0.061 0.000 2.070 219 R HA -0.201 4.139 4.340 0.000 0.000 0.232 219 R C 2.603 178.992 176.300 0.147 0.000 1.138 219 R CA 2.002 58.175 56.100 0.121 0.000 0.936 219 R CB -0.405 29.936 30.300 0.069 0.000 0.839 219 R HN 0.183 nan 8.270 nan 0.000 0.429 220 S N 0.288 116.037 115.700 0.081 0.000 2.365 220 S HA -0.170 4.300 4.470 0.000 0.000 0.225 220 S C 1.763 176.397 174.600 0.056 0.000 1.039 220 S CA 1.501 59.735 58.200 0.058 0.000 1.033 220 S CB -0.237 62.983 63.200 0.033 0.000 0.887 220 S HN 0.368 nan 8.310 nan 0.000 0.447 221 E N 0.902 121.139 120.200 0.061 0.000 2.049 221 E HA -0.119 4.231 4.350 0.000 0.000 0.198 221 E C 2.051 178.691 176.600 0.066 0.000 1.007 221 E CA 1.262 57.695 56.400 0.054 0.000 0.809 221 E CB -0.484 29.250 29.700 0.056 0.000 0.749 221 E HN 0.564 nan 8.360 nan 0.000 0.450 222 L N -0.043 121.256 121.223 0.126 0.000 2.554 222 L HA 0.036 4.376 4.340 0.000 0.000 0.226 222 L C 0.348 177.217 176.870 -0.001 0.000 1.137 222 L CA 0.265 55.188 54.840 0.138 0.000 0.863 222 L CB -0.195 42.088 42.059 0.374 0.000 0.985 222 L HN 0.103 nan 8.230 nan 0.000 0.451 223 E N -1.456 118.765 120.200 0.035 0.000 3.057 223 E HA -0.204 4.146 4.350 0.000 0.000 0.296 223 E C -0.174 176.356 176.600 -0.118 0.000 0.943 223 E CA 0.040 56.407 56.400 -0.056 0.000 0.965 223 E CB -1.536 28.092 29.700 -0.121 0.000 1.485 223 E HN 0.247 nan 8.360 nan 0.000 0.417 224 F N -0.089 119.846 119.950 -0.025 0.000 2.399 224 F HA 0.357 4.884 4.527 0.000 0.000 0.313 224 F C 1.751 177.536 175.800 -0.026 0.000 1.202 224 F CA 0.461 58.443 58.000 -0.031 0.000 1.192 224 F CB 0.392 39.371 39.000 -0.036 0.000 1.256 224 F HN 0.013 nan 8.300 nan 0.000 0.558 225 A N 0.012 122.934 122.820 0.171 0.000 2.030 225 A HA 0.272 4.592 4.320 0.000 0.000 0.215 225 A C 0.623 178.254 177.584 0.078 0.000 1.164 225 A CA 1.140 53.227 52.037 0.084 0.000 0.697 225 A CB -0.419 18.611 19.000 0.050 0.000 0.827 225 A HN 0.675 nan 8.150 nan 0.000 0.457 226 S N -1.668 114.088 115.700 0.093 0.000 2.755 226 S HA 0.655 5.125 4.470 0.000 0.000 0.286 226 S C -0.806 173.796 174.600 0.003 0.000 1.207 226 S CA -0.186 58.038 58.200 0.041 0.000 0.892 226 S CB 0.335 63.549 63.200 0.023 0.000 1.240 226 S HN 0.956 nan 8.310 nan 0.000 0.525 227 I N -0.435 120.114 120.570 -0.034 0.000 2.785 227 I HA 0.749 4.919 4.170 0.000 0.000 0.302 227 I C -0.066 176.005 176.117 -0.077 0.000 1.069 227 I CA -0.922 60.323 61.300 -0.092 0.000 1.045 227 I CB 2.230 40.179 38.000 -0.085 0.000 1.236 227 I HN 0.854 nan 8.210 nan 0.000 0.429 228 S N 4.495 120.130 115.700 -0.108 0.000 2.558 228 S HA 0.146 4.616 4.470 0.000 0.000 0.291 228 S C 0.828 175.401 174.600 -0.045 0.000 1.306 228 S CA -0.423 57.733 58.200 -0.074 0.000 1.056 228 S CB 0.700 63.846 63.200 -0.090 0.000 0.836 228 S HN 0.706 nan 8.310 nan 0.000 0.504 229 L N 1.194 122.402 121.223 -0.025 0.000 2.068 229 L HA 0.140 4.481 4.340 0.000 0.000 0.204 229 L C 1.408 178.271 176.870 -0.012 0.000 1.076 229 L CA 0.707 55.538 54.840 -0.014 0.000 0.753 229 L CB -0.414 41.642 42.059 -0.005 0.000 0.910 229 L HN 0.742 nan 8.230 nan 0.000 0.439 230 N N -0.486 118.209 118.700 -0.008 0.000 2.314 230 N HA 0.065 4.805 4.740 0.000 0.000 0.294 230 N C 0.711 176.217 175.510 -0.006 0.000 1.029 230 N CA 0.367 53.414 53.050 -0.004 0.000 0.845 230 N CB 2.054 40.544 38.487 0.005 0.000 1.321 230 N HN -0.017 nan 8.380 nan 0.000 0.481 231 S N 3.989 119.685 115.700 -0.007 0.000 2.356 231 S HA -0.162 4.308 4.470 0.000 0.000 0.223 231 S C 1.966 176.569 174.600 0.004 0.000 1.032 231 S CA 0.917 59.111 58.200 -0.010 0.000 1.005 231 S CB -0.246 62.947 63.200 -0.011 0.000 0.867 231 S HN 0.670 nan 8.310 nan 0.000 0.449 232 M N 1.727 121.335 119.600 0.014 0.000 2.080 232 M HA -0.132 4.348 4.480 0.000 0.000 0.260 232 M C 2.317 178.640 176.300 0.039 0.000 1.068 232 M CA 2.246 57.563 55.300 0.028 0.000 1.109 232 M CB -0.816 31.800 32.600 0.027 0.000 1.342 232 M HN 0.419 nan 8.290 nan 0.000 0.405 233 D N 0.330 120.749 120.400 0.032 0.000 2.104 233 D HA -0.158 4.482 4.640 0.000 0.000 0.194 233 D C 1.848 178.180 176.300 0.053 0.000 0.994 233 D CA 1.887 55.913 54.000 0.042 0.000 0.830 233 D CB 0.063 40.883 40.800 0.034 0.000 0.959 233 D HN 0.311 nan 8.370 nan 0.000 0.452 234 A N -0.036 122.801 122.820 0.029 0.000 2.019 234 A HA -0.076 4.244 4.320 0.000 0.000 0.219 234 A C 2.163 179.770 177.584 0.038 0.000 1.164 234 A CA 0.873 52.919 52.037 0.016 0.000 0.644 234 A CB -0.465 18.516 19.000 -0.032 0.000 0.805 234 A HN 0.357 nan 8.150 nan 0.000 0.449 235 I N 0.205 120.803 120.570 0.046 0.000 2.480 235 I HA -0.097 4.073 4.170 0.000 0.000 0.251 235 I C 2.562 178.768 176.117 0.149 0.000 1.124 235 I CA 1.933 63.273 61.300 0.067 0.000 1.444 235 I CB -0.998 37.031 38.000 0.047 0.000 1.098 235 I HN 0.503 nan 8.210 nan 0.000 0.428 236 S N 0.401 116.183 115.700 0.137 0.000 2.492 236 S HA 0.003 4.473 4.470 0.000 0.000 0.218 236 S C 0.706 175.380 174.600 0.123 0.000 1.016 236 S CA -0.382 57.905 58.200 0.144 0.000 0.916 236 S CB -0.337 62.923 63.200 0.100 0.000 0.791 236 S HN 0.466 nan 8.310 nan 0.000 0.513 237 E N 1.492 121.770 120.200 0.130 0.000 2.373 237 E HA 0.343 4.693 4.350 0.000 0.000 0.267 237 E C 0.199 176.916 176.600 0.195 0.000 1.032 237 E CA -0.496 55.984 56.400 0.134 0.000 0.889 237 E CB 0.425 30.204 29.700 0.133 0.000 0.984 237 E HN -0.010 nan 8.360 nan 0.000 0.425 238 R N 2.616 123.153 120.500 0.061 0.000 2.659 238 R HA 0.127 4.467 4.340 0.000 0.000 0.418 238 R C -0.356 175.793 176.300 -0.251 0.000 1.076 238 R CA -0.190 55.805 56.100 -0.176 0.000 1.093 238 R CB 0.015 30.198 30.300 -0.194 0.000 1.400 238 R HN 0.630 nan 8.270 nan 0.000 0.583 239 D N 0.899 121.297 120.400 -0.003 0.000 2.116 239 D HA -0.215 4.425 4.640 0.000 0.000 0.193 239 D C 1.630 177.952 176.300 0.035 0.000 0.998 239 D CA 1.596 55.620 54.000 0.041 0.000 0.836 239 D CB -0.287 40.587 40.800 0.124 0.000 0.951 239 D HN 0.353 nan 8.370 nan 0.000 0.449 240 F N -0.107 119.889 119.950 0.076 0.000 2.192 240 F HA -0.167 4.360 4.527 0.000 0.000 0.301 240 F C 1.992 177.874 175.800 0.137 0.000 1.079 240 F CA 0.661 58.717 58.000 0.093 0.000 1.303 240 F CB -0.958 38.087 39.000 0.074 0.000 1.024 240 F HN -0.130 nan 8.300 nan 0.000 0.494 241 V N 0.470 119.947 119.914 -0.728 0.000 2.407 241 V HA -0.188 3.932 4.120 0.000 0.000 0.245 241 V C 2.523 178.581 176.094 -0.061 0.000 1.041 241 V CA 1.451 63.525 62.300 -0.377 0.000 1.040 241 V CB -0.408 31.101 31.823 -0.523 0.000 0.671 241 V HN 0.364 nan 8.190 nan 0.000 0.455 242 V N -0.146 119.713 119.914 -0.093 0.000 2.358 242 V HA -0.228 3.892 4.120 0.000 0.000 0.246 242 V C 2.433 178.556 176.094 0.048 0.000 1.047 242 V CA 1.862 64.150 62.300 -0.020 0.000 1.035 242 V CB -0.593 31.212 31.823 -0.030 0.000 0.658 242 V HN 0.592 nan 8.190 nan 0.000 0.452 243 E N -0.494 119.758 120.200 0.088 0.000 2.051 243 E HA -0.246 4.104 4.350 0.000 0.000 0.192 243 E C 2.087 178.817 176.600 0.216 0.000 0.991 243 E CA 1.661 58.144 56.400 0.138 0.000 0.799 243 E CB -0.251 29.542 29.700 0.154 0.000 0.748 243 E HN 0.593 nan 8.360 nan 0.000 0.449 244 F N 1.791 121.807 119.950 0.109 0.000 2.095 244 F HA -0.205 4.322 4.527 0.000 0.000 0.298 244 F C 1.987 177.917 175.800 0.216 0.000 1.104 244 F CA 1.403 59.514 58.000 0.185 0.000 1.232 244 F CB -0.348 38.743 39.000 0.152 0.000 0.987 244 F HN -0.085 nan 8.300 nan 0.000 0.475 245 L N -0.682 120.531 121.223 -0.017 0.000 2.083 245 L HA -0.214 4.126 4.340 0.000 0.000 0.209 245 L C 2.471 179.268 176.870 -0.123 0.000 1.083 245 L CA 1.377 56.120 54.840 -0.162 0.000 0.752 245 L CB -1.025 41.005 42.059 -0.049 0.000 0.899 245 L HN 0.105 nan 8.230 nan 0.000 0.433 246 S N -0.035 115.653 115.700 -0.019 0.000 2.383 246 S HA -0.164 4.306 4.470 0.000 0.000 0.227 246 S C 1.753 176.344 174.600 -0.015 0.000 1.026 246 S CA 1.208 59.407 58.200 -0.002 0.000 0.981 246 S CB -0.338 62.887 63.200 0.041 0.000 0.818 246 S HN 0.447 nan 8.310 nan 0.000 0.472 247 F N 2.872 122.756 119.950 -0.111 0.000 2.113 247 F HA 0.000 4.527 4.527 0.000 0.000 0.297 247 F C 2.253 177.947 175.800 -0.177 0.000 1.103 247 F CA 1.001 58.935 58.000 -0.109 0.000 1.248 247 F CB -0.888 38.076 39.000 -0.061 0.000 0.999 247 F HN 0.153 nan 8.300 nan 0.000 0.475 248 A N -0.003 122.415 122.820 -0.670 0.000 1.902 248 A HA -0.152 4.168 4.320 0.000 0.000 0.217 248 A C 2.190 179.485 177.584 -0.482 0.000 1.181 248 A CA 2.328 53.903 52.037 -0.770 0.000 0.623 248 A CB -1.486 17.122 19.000 -0.653 0.000 0.818 248 A HN 0.491 nan 8.150 nan 0.000 0.443 249 T N 0.068 114.439 114.554 -0.305 0.000 2.737 249 T HA -0.040 4.310 4.350 0.000 0.000 0.265 249 T C 1.857 176.409 174.700 -0.245 0.000 1.038 249 T CA 1.149 63.139 62.100 -0.184 0.000 1.144 249 T CB -0.329 68.517 68.868 -0.037 0.000 0.866 249 T HN 0.328 nan 8.240 nan 0.000 0.434 250 L N 0.694 121.746 121.223 -0.284 0.000 2.042 250 L HA -0.087 4.253 4.340 0.000 0.000 0.210 250 L C 2.432 178.974 176.870 -0.546 0.000 1.076 250 L CA 1.195 55.809 54.840 -0.378 0.000 0.749 250 L CB -0.385 41.489 42.059 -0.309 0.000 0.893 250 L HN 0.255 nan 8.230 nan 0.000 0.432 251 L N -0.467 120.454 121.223 -0.503 0.000 2.042 251 L HA -0.263 4.078 4.340 0.000 0.000 0.210 251 L C 2.436 179.148 176.870 -0.264 0.000 1.076 251 L CA 1.886 56.486 54.840 -0.401 0.000 0.749 251 L CB -0.503 41.202 42.059 -0.589 0.000 0.893 251 L HN 0.202 nan 8.230 nan 0.000 0.432 252 M N -0.884 118.557 119.600 -0.265 0.000 2.213 252 M HA -0.160 4.320 4.480 0.000 0.000 0.263 252 M C 2.272 178.489 176.300 -0.138 0.000 1.062 252 M CA 1.218 56.419 55.300 -0.165 0.000 1.105 252 M CB -1.038 31.478 32.600 -0.140 0.000 1.385 252 M HN 0.256 nan 8.290 nan 0.000 0.417 253 I N -0.387 120.067 120.570 -0.194 0.000 2.127 253 I HA -0.309 3.861 4.170 0.000 0.000 0.241 253 I C 2.312 178.397 176.117 -0.053 0.000 1.075 253 I CA 1.725 62.931 61.300 -0.157 0.000 1.334 253 I CB -1.437 36.429 38.000 -0.223 0.000 1.040 253 I HN 0.418 nan 8.210 nan 0.000 0.405 254 H N 0.189 119.213 119.070 -0.076 0.000 2.352 254 H HA -0.150 4.406 4.556 0.000 0.000 0.299 254 H C 2.381 177.671 175.328 -0.062 0.000 1.097 254 H CA 0.995 57.015 56.048 -0.047 0.000 1.311 254 H CB 0.004 29.739 29.762 -0.046 0.000 1.377 254 H HN 0.243 nan 8.280 nan 0.000 0.504 255 L N 0.391 121.637 121.223 0.039 0.000 2.093 255 L HA -0.146 4.194 4.340 0.000 0.000 0.208 255 L C 2.705 179.539 176.870 -0.059 0.000 1.085 255 L CA 1.173 55.991 54.840 -0.036 0.000 0.755 255 L CB -0.377 41.653 42.059 -0.048 0.000 0.904 255 L HN 0.370 nan 8.230 nan 0.000 0.435 256 S N -0.379 115.291 115.700 -0.051 0.000 2.428 256 S HA -0.211 4.259 4.470 0.000 0.000 0.230 256 S C 1.954 176.520 174.600 -0.056 0.000 1.014 256 S CA 0.992 59.157 58.200 -0.059 0.000 0.957 256 S CB -0.190 62.973 63.200 -0.062 0.000 0.784 256 S HN 0.394 nan 8.310 nan 0.000 0.499 257 K N 0.934 121.317 120.400 -0.029 0.000 2.062 257 K HA 0.063 4.383 4.320 0.000 0.000 0.205 257 K C 2.371 178.951 176.600 -0.034 0.000 1.051 257 K CA 1.111 57.397 56.287 -0.000 0.000 0.941 257 K CB -0.303 32.240 32.500 0.071 0.000 0.719 257 K HN 0.456 nan 8.250 nan 0.000 0.440 258 M N 0.577 120.090 119.600 -0.144 0.000 2.086 258 M HA -0.160 4.320 4.480 0.000 0.000 0.261 258 M C 2.075 178.250 176.300 -0.209 0.000 1.067 258 M CA 1.893 56.943 55.300 -0.417 0.000 1.116 258 M CB -0.174 32.057 32.600 -0.615 0.000 1.348 258 M HN 0.275 nan 8.290 nan 0.000 0.407 259 A N 0.071 122.803 122.820 -0.147 0.000 1.865 259 A HA -0.264 4.056 4.320 0.000 0.000 0.217 259 A C 1.852 179.363 177.584 -0.121 0.000 1.191 259 A CA 2.271 54.244 52.037 -0.108 0.000 0.623 259 A CB -1.049 17.901 19.000 -0.084 0.000 0.826 259 A HN 0.657 nan 8.150 nan 0.000 0.444 260 E N 0.536 120.664 120.200 -0.119 0.000 2.070 260 E HA -0.225 4.125 4.350 0.000 0.000 0.197 260 E C 1.514 177.975 176.600 -0.232 0.000 1.004 260 E CA 1.918 58.232 56.400 -0.144 0.000 0.805 260 E CB -0.302 29.332 29.700 -0.110 0.000 0.744 260 E HN 0.589 nan 8.360 nan 0.000 0.451 261 D N -0.452 119.804 120.400 -0.240 0.000 2.104 261 D HA -0.156 4.484 4.640 0.000 0.000 0.194 261 D C 1.817 177.711 176.300 -0.678 0.000 0.994 261 D CA 0.991 54.691 54.000 -0.500 0.000 0.830 261 D CB -0.138 40.548 40.800 -0.190 0.000 0.959 261 D HN 0.216 nan 8.370 nan 0.000 0.452 262 L N 0.676 121.729 121.223 -0.282 0.000 2.291 262 L HA -0.019 4.321 4.340 0.000 0.000 0.214 262 L C 2.359 179.156 176.870 -0.121 0.000 1.120 262 L CA 0.648 55.420 54.840 -0.114 0.000 0.799 262 L CB -0.427 41.641 42.059 0.014 0.000 0.925 262 L HN 0.058 nan 8.230 nan 0.000 0.446 263 I N -1.185 119.281 120.570 -0.175 0.000 2.286 263 I HA -0.265 3.905 4.170 0.000 0.000 0.245 263 I C 2.258 178.245 176.117 -0.216 0.000 1.104 263 I CA 1.198 62.408 61.300 -0.150 0.000 1.397 263 I CB -0.044 37.873 38.000 -0.138 0.000 1.072 263 I HN 0.161 nan 8.210 nan 0.000 0.417 264 I N -0.341 120.011 120.570 -0.363 0.000 2.233 264 I HA -0.281 3.889 4.170 0.000 0.000 0.243 264 I C 2.290 178.031 176.117 -0.626 0.000 1.093 264 I CA 1.175 62.122 61.300 -0.588 0.000 1.380 264 I CB -0.329 37.208 38.000 -0.771 0.000 1.067 264 I HN 0.158 nan 8.210 nan 0.000 0.413 265 Y N 0.725 120.725 120.300 -0.499 0.000 2.421 265 Y HA -0.127 4.423 4.550 0.000 0.000 0.292 265 Y C 2.839 178.660 175.900 -0.133 0.000 1.136 265 Y CA 0.760 58.683 58.100 -0.295 0.000 1.255 265 Y CB -1.231 37.245 38.460 0.026 0.000 0.991 265 Y HN 0.271 nan 8.280 nan 0.000 0.552 266 S N -1.099 114.624 115.700 0.039 0.000 2.575 266 S HA 0.025 4.495 4.470 0.000 0.000 0.215 266 S C 0.915 175.518 174.600 0.006 0.000 0.966 266 S CA -0.036 58.187 58.200 0.037 0.000 0.911 266 S CB -1.131 62.086 63.200 0.029 0.000 0.780 266 S HN 0.367 nan 8.310 nan 0.000 0.514 267 T N -0.470 114.070 114.554 -0.023 0.000 2.856 267 T HA 0.292 4.642 4.350 0.000 0.000 0.306 267 T C 1.121 175.844 174.700 0.039 0.000 1.062 267 T CA 0.143 62.246 62.100 0.005 0.000 1.083 267 T CB 1.118 69.998 68.868 0.020 0.000 0.984 267 T HN 0.127 nan 8.240 nan 0.000 0.542 268 S N 0.459 116.175 115.700 0.027 0.000 2.382 268 S HA -0.139 4.332 4.470 0.000 0.000 0.228 268 S C 1.792 176.396 174.600 0.007 0.000 1.027 268 S CA 1.505 59.714 58.200 0.015 0.000 0.991 268 S CB -0.689 62.515 63.200 0.006 0.000 0.823 268 S HN 0.801 nan 8.310 nan 0.000 0.469 269 E N 0.309 120.526 120.200 0.028 0.000 2.110 269 E HA -0.035 4.315 4.350 0.000 0.000 0.193 269 E C 1.484 177.995 176.600 -0.149 0.000 0.988 269 E CA 1.315 57.699 56.400 -0.026 0.000 0.804 269 E CB -0.319 29.395 29.700 0.024 0.000 0.745 269 E HN 0.605 nan 8.360 nan 0.000 0.458 270 F N -0.707 119.083 119.950 -0.267 0.000 2.188 270 F HA 0.229 4.756 4.527 0.000 0.000 0.289 270 F C 1.913 177.425 175.800 -0.481 0.000 1.082 270 F CA 1.044 58.705 58.000 -0.564 0.000 1.282 270 F CB -0.518 38.050 39.000 -0.719 0.000 1.060 270 F HN 0.136 nan 8.300 nan 0.000 0.493 271 G N -0.122 108.646 108.800 -0.053 0.000 2.258 271 G HA2 -0.316 3.644 3.960 0.000 0.000 0.274 271 G HA3 -0.316 3.644 3.960 0.000 0.000 0.274 271 G C 0.751 175.751 174.900 0.166 0.000 1.021 271 G CA 0.507 45.626 45.100 0.031 0.000 0.798 271 G HN 0.238 nan 8.290 nan 0.000 0.507 272 F N -0.740 119.212 119.950 0.004 0.000 2.367 272 F HA 0.400 4.927 4.527 0.000 0.000 0.298 272 F C 1.447 177.155 175.800 -0.154 0.000 1.094 272 F CA 0.755 58.680 58.000 -0.125 0.000 1.409 272 F CB -0.276 38.594 39.000 -0.216 0.000 1.064 272 F HN 0.507 nan 8.300 nan 0.000 0.528 273 L N -4.016 117.285 121.223 0.130 0.000 2.869 273 L HA 0.728 5.068 4.340 0.000 0.000 0.265 273 L C -0.859 176.049 176.870 0.064 0.000 1.011 273 L CA -0.714 54.159 54.840 0.055 0.000 0.913 273 L CB 1.884 43.973 42.059 0.051 0.000 1.490 273 L HN -0.371 nan 8.230 nan 0.000 0.410 274 T N 2.026 116.609 114.554 0.047 0.000 2.893 274 T HA 0.702 5.052 4.350 0.000 0.000 0.293 274 T C -0.913 173.814 174.700 0.046 0.000 1.027 274 T CA -0.536 61.588 62.100 0.041 0.000 0.988 274 T CB 1.607 70.491 68.868 0.027 0.000 1.043 274 T HN 0.530 nan 8.240 nan 0.000 0.461 275 L N 2.898 124.145 121.223 0.040 0.000 2.375 275 L HA 0.474 4.814 4.340 0.000 0.000 0.271 275 L C 1.369 178.256 176.870 0.029 0.000 1.107 275 L CA -0.233 54.631 54.840 0.040 0.000 0.806 275 L CB 1.125 43.203 42.059 0.031 0.000 1.146 275 L HN 0.899 nan 8.230 nan 0.000 0.447 293 D N -0.089 120.307 120.400 -0.007 0.000 2.800 293 D HA -0.141 4.499 4.640 0.000 0.000 0.232 293 D C 1.116 177.408 176.300 -0.013 0.000 1.137 293 D CA 1.266 55.260 54.000 -0.011 0.000 0.718 293 D CB -1.834 38.959 40.800 -0.012 0.000 1.084 293 D HN 0.467 nan 8.370 nan 0.000 0.432 294 S N -0.744 114.950 115.700 -0.011 0.000 2.370 294 S HA -0.183 4.287 4.470 0.000 0.000 0.226 294 S C 2.129 176.717 174.600 -0.020 0.000 1.033 294 S CA 1.025 59.218 58.200 -0.013 0.000 1.011 294 S CB -0.335 62.859 63.200 -0.009 0.000 0.852 294 S HN 0.500 nan 8.310 nan 0.000 0.457 295 L N 1.019 122.229 121.223 -0.022 0.000 2.012 295 L HA -0.125 4.215 4.340 0.000 0.000 0.210 295 L C 2.951 179.798 176.870 -0.039 0.000 1.073 295 L CA 1.802 56.622 54.840 -0.034 0.000 0.748 295 L CB -0.690 41.346 42.059 -0.038 0.000 0.891 295 L HN 0.284 nan 8.230 nan 0.000 0.431 296 E N -0.141 120.039 120.200 -0.034 0.000 2.110 296 E HA -0.198 4.152 4.350 0.000 0.000 0.193 296 E C 2.016 178.599 176.600 -0.028 0.000 0.988 296 E CA 0.651 57.031 56.400 -0.034 0.000 0.804 296 E CB -0.265 29.418 29.700 -0.028 0.000 0.745 296 E HN 0.220 nan 8.360 nan 0.000 0.458 297 L N 0.732 121.941 121.223 -0.023 0.000 1.994 297 L HA -0.168 4.172 4.340 0.000 0.000 0.208 297 L C 1.988 178.844 176.870 -0.023 0.000 1.071 297 L CA 1.778 56.607 54.840 -0.019 0.000 0.745 297 L CB -0.743 41.307 42.059 -0.015 0.000 0.892 297 L HN 0.214 nan 8.230 nan 0.000 0.431 298 I N -0.217 120.336 120.570 -0.029 0.000 2.163 298 I HA -0.345 3.825 4.170 0.000 0.000 0.243 298 I C 2.812 178.905 176.117 -0.040 0.000 1.085 298 I CA 1.483 62.762 61.300 -0.034 0.000 1.347 298 I CB -0.436 37.539 38.000 -0.042 0.000 1.044 298 I HN 0.333 nan 8.210 nan 0.000 0.408 299 R N 1.245 121.719 120.500 -0.043 0.000 2.081 299 R HA -0.192 4.148 4.340 0.000 0.000 0.235 299 R C 2.495 178.772 176.300 -0.038 0.000 1.131 299 R CA 2.063 58.135 56.100 -0.047 0.000 0.960 299 R CB -0.254 30.016 30.300 -0.051 0.000 0.856 299 R HN 0.469 nan 8.270 nan 0.000 0.436 300 S N 0.220 115.902 115.700 -0.030 0.000 2.442 300 S HA -0.061 4.409 4.470 0.000 0.000 0.236 300 S C 1.470 176.061 174.600 -0.014 0.000 1.007 300 S CA 0.782 58.970 58.200 -0.020 0.000 0.965 300 S CB -0.014 63.177 63.200 -0.016 0.000 0.773 300 S HN 0.237 nan 8.310 nan 0.000 0.504 301 K N 1.514 121.903 120.400 -0.019 0.000 2.432 301 K HA 0.261 4.581 4.320 0.000 0.000 0.196 301 K C 2.144 178.733 176.600 -0.017 0.000 1.038 301 K CA 0.598 56.876 56.287 -0.015 0.000 0.986 301 K CB -0.556 31.934 32.500 -0.017 0.000 0.782 301 K HN 0.447 nan 8.250 nan 0.000 0.485 302 S N 0.678 116.362 115.700 -0.027 0.000 2.348 302 S HA -0.123 4.347 4.470 0.000 0.000 0.221 302 S C 2.100 176.716 174.600 0.027 0.000 1.033 302 S CA 1.619 59.801 58.200 -0.030 0.000 1.010 302 S CB -0.508 62.657 63.200 -0.059 0.000 0.891 302 S HN 0.540 nan 8.310 nan 0.000 0.442 303 G N 1.542 110.365 108.800 0.037 0.000 2.418 303 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 303 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 303 G C 1.351 176.314 174.900 0.105 0.000 1.158 303 G CA 0.757 45.924 45.100 0.112 0.000 0.771 303 G HN 0.401 nan 8.290 nan 0.000 0.545 304 R N -0.087 120.438 120.500 0.042 0.000 2.083 304 R HA -0.084 4.256 4.340 0.000 0.000 0.237 304 R C 2.607 178.909 176.300 0.004 0.000 1.137 304 R CA 1.803 57.912 56.100 0.015 0.000 0.951 304 R CB -0.388 29.915 30.300 0.006 0.000 0.851 304 R HN 0.296 nan 8.270 nan 0.000 0.434 305 V N 0.685 120.605 119.914 0.009 0.000 2.379 305 V HA -0.204 3.916 4.120 0.000 0.000 0.245 305 V C 2.033 178.127 176.094 0.000 0.000 1.044 305 V CA 1.638 63.928 62.300 -0.017 0.000 1.036 305 V CB -0.730 31.061 31.823 -0.054 0.000 0.664 305 V HN 0.331 nan 8.190 nan 0.000 0.453 306 F N 2.523 122.421 119.950 -0.087 0.000 2.161 306 F HA -0.075 4.452 4.527 0.000 0.000 0.300 306 F C 2.106 177.868 175.800 -0.064 0.000 1.089 306 F CA 1.476 59.427 58.000 -0.081 0.000 1.282 306 F CB -0.941 38.014 39.000 -0.074 0.000 1.010 306 F HN 0.128 nan 8.300 nan 0.000 0.485 307 G N 0.852 109.504 108.800 -0.246 0.000 2.446 307 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 307 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 307 G C 1.826 176.555 174.900 -0.286 0.000 1.168 307 G CA 0.652 45.557 45.100 -0.325 0.000 0.771 307 G HN 0.211 nan 8.290 nan 0.000 0.551 308 R N -0.120 120.272 120.500 -0.180 0.000 2.081 308 R HA -0.016 4.324 4.340 0.000 0.000 0.235 308 R C 2.480 178.682 176.300 -0.163 0.000 1.131 308 R CA 0.985 57.002 56.100 -0.138 0.000 0.960 308 R CB -1.336 28.920 30.300 -0.074 0.000 0.856 308 R HN 0.457 nan 8.270 nan 0.000 0.436 309 L N 0.884 121.995 121.223 -0.188 0.000 2.017 309 L HA -0.072 4.268 4.340 0.000 0.000 0.208 309 L C 2.199 178.936 176.870 -0.222 0.000 1.073 309 L CA 2.171 56.912 54.840 -0.165 0.000 0.745 309 L CB -0.877 41.114 42.059 -0.113 0.000 0.894 309 L HN 0.159 nan 8.230 nan 0.000 0.432 310 A N -0.714 121.865 122.820 -0.401 0.000 1.902 310 A HA -0.220 4.100 4.320 0.000 0.000 0.217 310 A C 2.503 179.948 177.584 -0.231 0.000 1.181 310 A CA 2.272 54.080 52.037 -0.382 0.000 0.623 310 A CB -1.224 17.395 19.000 -0.635 0.000 0.818 310 A HN 0.696 nan 8.150 nan 0.000 0.443 311 S N 0.005 115.577 115.700 -0.215 0.000 2.368 311 S HA -0.134 4.336 4.470 0.000 0.000 0.225 311 S C 1.816 176.343 174.600 -0.121 0.000 1.030 311 S CA 1.472 59.582 58.200 -0.150 0.000 0.999 311 S CB -0.553 62.565 63.200 -0.137 0.000 0.844 311 S HN 0.323 nan 8.310 nan 0.000 0.459 312 I N 2.218 122.716 120.570 -0.119 0.000 2.252 312 I HA -0.039 4.131 4.170 0.000 0.000 0.245 312 I C 2.550 178.613 176.117 -0.089 0.000 1.102 312 I CA 0.841 62.080 61.300 -0.101 0.000 1.385 312 I CB -1.591 36.349 38.000 -0.099 0.000 1.064 312 I HN 0.319 nan 8.210 nan 0.000 0.414 313 L N -0.123 121.047 121.223 -0.089 0.000 2.043 313 L HA -0.265 4.075 4.340 0.000 0.000 0.212 313 L C 2.711 179.542 176.870 -0.065 0.000 1.075 313 L CA 1.669 56.468 54.840 -0.069 0.000 0.752 313 L CB -0.472 41.548 42.059 -0.065 0.000 0.891 313 L HN 0.264 nan 8.230 nan 0.000 0.432 314 M N -0.825 118.729 119.600 -0.076 0.000 2.229 314 M HA -0.138 4.342 4.480 0.000 0.000 0.264 314 M C 2.018 178.281 176.300 -0.062 0.000 1.063 314 M CA 1.468 56.728 55.300 -0.066 0.000 1.114 314 M CB 0.043 32.599 32.600 -0.073 0.000 1.387 314 M HN -0.034 nan 8.290 nan 0.000 0.420 315 V N 0.804 120.676 119.914 -0.070 0.000 2.343 315 V HA -0.259 3.861 4.120 0.000 0.000 0.247 315 V C 2.346 178.403 176.094 -0.062 0.000 1.051 315 V CA 1.717 63.977 62.300 -0.067 0.000 1.036 315 V CB -0.746 31.032 31.823 -0.075 0.000 0.654 315 V HN 0.551 nan 8.190 nan 0.000 0.451 316 L N -0.569 120.619 121.223 -0.059 0.000 2.072 316 L HA -0.026 4.314 4.340 0.000 0.000 0.205 316 L C 1.593 178.439 176.870 -0.040 0.000 1.079 316 L CA 0.729 55.540 54.840 -0.049 0.000 0.752 316 L CB -0.406 41.625 42.059 -0.046 0.000 0.906 316 L HN 0.184 nan 8.230 nan 0.000 0.436 317 K N 1.375 121.753 120.400 -0.037 0.000 2.491 317 K HA -0.064 4.256 4.320 0.000 0.000 0.279 317 K C 0.929 177.511 176.600 -0.029 0.000 1.026 317 K CA 1.099 57.369 56.287 -0.029 0.000 1.070 317 K CB 0.245 32.728 32.500 -0.028 0.000 0.887 317 K HN 0.381 nan 8.250 nan 0.000 0.481 318 G N 3.481 112.267 108.800 -0.024 0.000 2.179 318 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 318 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 318 G C 0.269 175.152 174.900 -0.028 0.000 0.977 318 G CA 0.333 45.419 45.100 -0.023 0.000 0.641 318 G HN 0.545 nan 8.290 nan 0.000 0.533 319 L N 2.868 124.071 121.223 -0.034 0.000 2.410 319 L HA 0.360 4.700 4.340 0.000 0.000 0.273 319 L C -0.607 176.244 176.870 -0.032 0.000 1.152 319 L CA -1.476 53.338 54.840 -0.042 0.000 0.855 319 L CB 0.449 42.474 42.059 -0.057 0.000 1.129 319 L HN 0.143 nan 8.230 nan 0.000 0.463 320 P HA 0.182 nan 4.420 nan 0.000 0.276 320 P C -0.694 176.596 177.300 -0.016 0.000 1.252 320 P CA -0.557 62.531 63.100 -0.020 0.000 0.802 320 P CB 1.223 32.911 31.700 -0.019 0.000 1.035 321 S N -0.106 115.593 115.700 -0.002 0.000 2.603 321 S HA 0.257 4.727 4.470 0.000 0.000 0.268 321 S C 0.883 175.491 174.600 0.015 0.000 1.317 321 S CA -0.253 57.954 58.200 0.011 0.000 1.012 321 S CB 0.501 63.712 63.200 0.019 0.000 0.926 321 S HN 0.531 nan 8.310 nan 0.000 0.539 322 T N 0.099 114.674 114.554 0.036 0.000 3.523 322 T HA 0.144 4.494 4.350 0.000 0.000 0.216 322 T C -0.122 174.629 174.700 0.086 0.000 0.922 322 T CA 0.390 62.527 62.100 0.063 0.000 1.558 322 T CB -0.585 68.332 68.868 0.083 0.000 1.424 322 T HN 0.683 nan 8.240 nan 0.000 0.452 323 Y N 2.650 122.956 120.300 0.009 0.000 2.299 323 Y HA 0.507 5.057 4.550 0.000 0.000 0.326 323 Y C -0.764 175.140 175.900 0.006 0.000 1.164 323 Y CA -1.080 57.026 58.100 0.010 0.000 1.234 323 Y CB 0.333 38.800 38.460 0.011 0.000 1.219 323 Y HN 0.188 nan 8.280 nan 0.000 0.497 324 N N 4.236 122.310 118.700 -1.045 0.000 2.287 324 N HA 0.221 4.961 4.740 0.000 0.000 0.289 324 N C 0.131 175.069 175.510 -0.952 0.000 1.066 324 N CA -0.849 51.730 53.050 -0.785 0.000 0.841 324 N CB 1.840 40.121 38.487 -0.343 0.000 1.599 324 N HN 0.444 nan 8.380 nan 0.000 0.476 325 K N 1.008 121.078 120.400 -0.550 0.000 2.089 325 K HA -0.207 4.113 4.320 0.000 0.000 0.210 325 K C 0.151 176.652 176.600 -0.165 0.000 1.048 325 K CA 1.787 57.931 56.287 -0.238 0.000 0.926 325 K CB -0.247 32.204 32.500 -0.082 0.000 0.714 325 K HN 0.626 nan 8.250 nan 0.000 0.448 326 D N 0.456 120.753 120.400 -0.172 0.000 2.218 326 D HA -0.215 4.425 4.640 0.000 0.000 0.194 326 D C 1.611 177.858 176.300 -0.089 0.000 1.007 326 D CA 0.979 54.911 54.000 -0.113 0.000 0.879 326 D CB -0.220 40.511 40.800 -0.114 0.000 0.918 326 D HN 0.087 nan 8.370 nan 0.000 0.449 327 L N 0.412 121.569 121.223 -0.109 0.000 2.447 327 L HA -0.132 4.208 4.340 0.000 0.000 0.225 327 L C 2.131 179.018 176.870 0.028 0.000 1.148 327 L CA 1.183 56.008 54.840 -0.024 0.000 0.808 327 L CB -0.914 41.169 42.059 0.040 0.000 0.928 327 L HN 0.140 nan 8.230 nan 0.000 0.448 328 Q N -0.326 119.493 119.800 0.032 0.000 2.437 328 Q HA -0.164 4.176 4.340 0.000 0.000 0.210 328 Q C 1.330 177.329 176.000 -0.002 0.000 0.972 328 Q CA 0.640 56.470 55.803 0.046 0.000 0.903 328 Q CB 0.234 29.008 28.738 0.059 0.000 0.967 328 Q HN 0.472 nan 8.270 nan 0.000 0.486 329 E N 0.929 121.107 120.200 -0.037 0.000 2.482 329 E HA -0.122 4.228 4.350 0.000 0.000 0.196 329 E C 1.044 177.575 176.600 -0.115 0.000 1.047 329 E CA 0.915 57.268 56.400 -0.078 0.000 0.869 329 E CB 0.140 29.792 29.700 -0.079 0.000 0.836 329 E HN 0.622 nan 8.360 nan 0.000 0.520 330 D N 1.066 121.406 120.400 -0.099 0.000 2.097 330 D HA -0.187 4.453 4.640 0.000 0.000 0.197 330 D C 1.592 177.767 176.300 -0.209 0.000 0.984 330 D CA 1.036 54.959 54.000 -0.128 0.000 0.826 330 D CB -0.308 40.434 40.800 -0.097 0.000 0.973 330 D HN 0.025 nan 8.370 nan 0.000 0.460 331 K N 0.630 120.865 120.400 -0.275 0.000 1.988 331 K HA -0.228 4.092 4.320 0.000 0.000 0.221 331 K C 2.265 178.316 176.600 -0.914 0.000 1.053 331 K CA 1.998 57.899 56.287 -0.643 0.000 0.959 331 K CB -0.345 31.874 32.500 -0.468 0.000 0.728 331 K HN 0.263 nan 8.250 nan 0.000 0.447 332 E N 0.338 120.133 120.200 -0.674 0.000 2.114 332 E HA -0.268 4.082 4.350 0.000 0.000 0.199 332 E C 2.060 178.485 176.600 -0.292 0.000 1.008 332 E CA 1.319 57.379 56.400 -0.566 0.000 0.810 332 E CB -0.244 29.104 29.700 -0.585 0.000 0.739 332 E HN 0.427 nan 8.360 nan 0.000 0.456 333 A N 0.853 123.535 122.820 -0.230 0.000 1.898 333 A HA -0.116 4.204 4.320 0.000 0.000 0.216 333 A C 2.508 180.104 177.584 0.020 0.000 1.181 333 A CA 1.125 53.105 52.037 -0.094 0.000 0.620 333 A CB -0.463 18.482 19.000 -0.092 0.000 0.819 333 A HN 0.125 nan 8.150 nan 0.000 0.442 334 V N -0.852 119.056 119.914 -0.009 0.000 2.427 334 V HA -0.219 3.901 4.120 0.000 0.000 0.248 334 V C 2.306 178.644 176.094 0.405 0.000 1.051 334 V CA 1.726 64.151 62.300 0.209 0.000 1.048 334 V CB -1.039 30.870 31.823 0.142 0.000 0.666 334 V HN 0.638 nan 8.190 nan 0.000 0.456 335 F N 0.698 120.743 119.950 0.158 0.000 2.102 335 F HA -0.218 4.309 4.527 0.000 0.000 0.298 335 F C 2.518 178.412 175.800 0.157 0.000 1.105 335 F CA 1.456 59.555 58.000 0.166 0.000 1.239 335 F CB -0.331 38.700 39.000 0.052 0.000 0.991 335 F HN 0.276 nan 8.300 nan 0.000 0.474 336 D N 0.609 121.179 120.400 0.283 0.000 2.117 336 D HA -0.151 4.489 4.640 0.000 0.000 0.197 336 D C 1.984 178.392 176.300 0.181 0.000 0.987 336 D CA 1.137 55.242 54.000 0.175 0.000 0.829 336 D CB -0.160 40.688 40.800 0.080 0.000 0.961 336 D HN 0.031 nan 8.370 nan 0.000 0.460 337 V N -0.225 119.821 119.914 0.219 0.000 2.548 337 V HA -0.140 3.980 4.120 0.000 0.000 0.249 337 V C 2.580 178.862 176.094 0.313 0.000 1.055 337 V CA 1.017 63.444 62.300 0.211 0.000 1.065 337 V CB -0.081 31.855 31.823 0.187 0.000 0.681 337 V HN 0.157 nan 8.190 nan 0.000 0.462 338 V N 0.249 120.424 119.914 0.436 0.000 2.358 338 V HA -0.216 3.904 4.120 0.000 0.000 0.246 338 V C 2.230 178.484 176.094 0.266 0.000 1.047 338 V CA 2.091 64.634 62.300 0.406 0.000 1.035 338 V CB -0.587 31.448 31.823 0.353 0.000 0.658 338 V HN 0.572 nan 8.190 nan 0.000 0.452 339 D N -0.362 120.177 120.400 0.230 0.000 2.149 339 D HA -0.107 4.533 4.640 0.000 0.000 0.201 339 D C 2.256 178.634 176.300 0.130 0.000 0.972 339 D CA 1.610 55.709 54.000 0.164 0.000 0.835 339 D CB -0.321 40.564 40.800 0.142 0.000 0.966 339 D HN 0.376 nan 8.370 nan 0.000 0.476 340 T N 1.536 116.163 114.554 0.122 0.000 2.708 340 T HA -0.071 4.279 4.350 0.000 0.000 0.266 340 T C 2.247 176.989 174.700 0.070 0.000 1.037 340 T CA 0.619 62.765 62.100 0.077 0.000 1.146 340 T CB -0.250 68.651 68.868 0.055 0.000 0.865 340 T HN 0.115 nan 8.240 nan 0.000 0.435 341 L N 0.634 121.916 121.223 0.098 0.000 2.056 341 L HA -0.104 4.236 4.340 0.000 0.000 0.207 341 L C 2.937 179.890 176.870 0.138 0.000 1.078 341 L CA 1.214 56.111 54.840 0.096 0.000 0.749 341 L CB -1.132 41.006 42.059 0.132 0.000 0.901 341 L HN 0.299 nan 8.230 nan 0.000 0.433 342 T N 0.034 114.699 114.554 0.185 0.000 2.684 342 T HA -0.195 4.155 4.350 0.000 0.000 0.267 342 T C 1.977 176.735 174.700 0.097 0.000 1.036 342 T CA 1.494 63.743 62.100 0.249 0.000 1.148 342 T CB -0.218 68.795 68.868 0.242 0.000 0.863 342 T HN 0.454 nan 8.240 nan 0.000 0.436 343 A N 0.846 123.702 122.820 0.060 0.000 1.872 343 A HA 0.032 4.352 4.320 0.000 0.000 0.214 343 A C 2.606 180.179 177.584 -0.019 0.000 1.187 343 A CA 1.091 53.130 52.037 0.004 0.000 0.614 343 A CB -1.002 18.011 19.000 0.022 0.000 0.826 343 A HN 0.315 nan 8.150 nan 0.000 0.442 344 V N 0.373 120.288 119.914 0.001 0.000 2.252 344 V HA -0.304 3.816 4.120 0.000 0.000 0.249 344 V C 2.604 178.684 176.094 -0.022 0.000 1.056 344 V CA 2.139 64.431 62.300 -0.012 0.000 1.022 344 V CB -0.863 30.954 31.823 -0.010 0.000 0.641 344 V HN 0.568 nan 8.190 nan 0.000 0.445 345 L N -0.601 120.618 121.223 -0.007 0.000 2.042 345 L HA -0.285 4.055 4.340 0.000 0.000 0.210 345 L C 2.734 179.569 176.870 -0.059 0.000 1.076 345 L CA 1.850 56.687 54.840 -0.005 0.000 0.749 345 L CB -0.559 41.541 42.059 0.069 0.000 0.893 345 L HN 0.421 nan 8.230 nan 0.000 0.432 346 Q N -1.019 118.696 119.800 -0.141 0.000 2.167 346 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 346 Q C 2.299 178.245 176.000 -0.090 0.000 0.970 346 Q CA 1.159 56.854 55.803 -0.179 0.000 0.855 346 Q CB -0.040 28.523 28.738 -0.292 0.000 0.911 346 Q HN 0.378 nan 8.270 nan 0.000 0.438 347 V N 0.905 120.780 119.914 -0.065 0.000 2.427 347 V HA -0.235 3.885 4.120 0.000 0.000 0.248 347 V C 2.236 178.312 176.094 -0.030 0.000 1.051 347 V CA 1.700 63.977 62.300 -0.039 0.000 1.048 347 V CB -0.832 30.974 31.823 -0.029 0.000 0.666 347 V HN 0.362 nan 8.190 nan 0.000 0.456 348 A N -0.178 122.622 122.820 -0.033 0.000 1.877 348 A HA -0.216 4.104 4.320 0.000 0.000 0.216 348 A C 2.413 179.984 177.584 -0.021 0.000 1.186 348 A CA 2.456 54.475 52.037 -0.030 0.000 0.620 348 A CB -1.015 17.964 19.000 -0.036 0.000 0.822 348 A HN 0.472 nan 8.150 nan 0.000 0.443 349 T N -0.098 114.443 114.554 -0.022 0.000 2.684 349 T HA -0.100 4.250 4.350 0.000 0.000 0.267 349 T C 1.968 176.667 174.700 -0.002 0.000 1.036 349 T CA 1.676 63.769 62.100 -0.011 0.000 1.148 349 T CB -0.750 68.109 68.868 -0.016 0.000 0.863 349 T HN 0.610 nan 8.240 nan 0.000 0.436 350 G N 1.105 109.899 108.800 -0.009 0.000 2.459 350 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 350 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 350 G C 1.722 176.632 174.900 0.016 0.000 1.183 350 G CA 1.064 46.165 45.100 0.002 0.000 0.776 350 G HN 0.435 nan 8.290 nan 0.000 0.552 351 V N 1.602 121.524 119.914 0.013 0.000 2.252 351 V HA -0.214 3.906 4.120 0.000 0.000 0.249 351 V C 2.837 178.964 176.094 0.054 0.000 1.056 351 V CA 1.528 63.846 62.300 0.029 0.000 1.022 351 V CB -0.413 31.420 31.823 0.017 0.000 0.641 351 V HN 0.296 nan 8.190 nan 0.000 0.445 352 I N 1.185 121.782 120.570 0.045 0.000 2.226 352 I HA -0.196 3.975 4.170 0.000 0.000 0.245 352 I C 2.691 178.859 176.117 0.085 0.000 1.100 352 I CA 2.373 63.715 61.300 0.069 0.000 1.374 352 I CB -1.466 36.553 38.000 0.032 0.000 1.057 352 I HN 0.580 nan 8.210 nan 0.000 0.413 353 S N -0.175 115.561 115.700 0.060 0.000 2.436 353 S HA -0.080 4.390 4.470 0.000 0.000 0.228 353 S C 1.692 176.331 174.600 0.065 0.000 1.014 353 S CA 1.153 59.390 58.200 0.061 0.000 0.950 353 S CB -0.729 62.496 63.200 0.042 0.000 0.784 353 S HN 0.584 nan 8.310 nan 0.000 0.504 354 T N 0.157 114.747 114.554 0.060 0.000 3.054 354 T HA 0.459 4.809 4.350 0.000 0.000 0.255 354 T C 0.313 175.051 174.700 0.063 0.000 1.035 354 T CA -0.597 61.535 62.100 0.054 0.000 0.941 354 T CB -0.660 68.231 68.868 0.038 0.000 1.026 354 T HN 0.379 nan 8.240 nan 0.000 0.533 355 L N 0.377 121.653 121.223 0.087 0.000 2.417 355 L HA 0.591 4.931 4.340 0.000 0.000 0.268 355 L C -0.275 176.649 176.870 0.090 0.000 1.158 355 L CA -0.599 54.298 54.840 0.094 0.000 0.819 355 L CB 0.016 42.155 42.059 0.133 0.000 1.112 355 L HN 0.018 nan 8.230 nan 0.000 0.458 356 Q N 3.301 123.138 119.800 0.062 0.000 2.307 356 Q HA 0.633 4.973 4.340 0.000 0.000 0.262 356 Q C -0.389 175.613 176.000 0.002 0.000 0.961 356 Q CA -0.562 55.261 55.803 0.035 0.000 0.882 356 Q CB 2.318 31.069 28.738 0.022 0.000 1.264 356 Q HN 0.800 nan 8.270 nan 0.000 0.446 357 I N -1.532 119.010 120.570 -0.046 0.000 2.934 357 I HA 0.572 4.742 4.170 0.000 0.000 0.315 357 I C -0.056 175.978 176.117 -0.138 0.000 0.997 357 I CA -0.623 60.577 61.300 -0.167 0.000 1.184 357 I CB 1.717 39.492 38.000 -0.375 0.000 1.400 357 I HN 0.371 nan 8.210 nan 0.000 0.549 358 S N 1.854 117.450 115.700 -0.174 0.000 2.532 358 S HA 0.331 4.801 4.470 0.000 0.000 0.256 358 S C 0.646 175.138 174.600 -0.179 0.000 1.298 358 S CA -0.779 57.348 58.200 -0.121 0.000 1.166 358 S CB 0.371 63.540 63.200 -0.052 0.000 1.022 358 S HN 0.767 nan 8.310 nan 0.000 0.480 359 K N 1.835 122.133 120.400 -0.171 0.000 2.089 359 K HA -0.214 4.106 4.320 0.000 0.000 0.210 359 K C 1.804 178.314 176.600 -0.150 0.000 1.048 359 K CA 1.907 58.089 56.287 -0.175 0.000 0.926 359 K CB -0.108 32.326 32.500 -0.111 0.000 0.714 359 K HN 0.600 nan 8.250 nan 0.000 0.448 360 E N 1.372 121.511 120.200 -0.102 0.000 2.021 360 E HA -0.212 4.138 4.350 0.000 0.000 0.200 360 E C 1.656 178.205 176.600 -0.085 0.000 1.015 360 E CA 1.864 58.218 56.400 -0.076 0.000 0.824 360 E CB -0.182 29.490 29.700 -0.047 0.000 0.762 360 E HN 0.215 nan 8.360 nan 0.000 0.454 361 N N -0.213 118.450 118.700 -0.061 0.000 2.104 361 N HA -0.157 4.583 4.740 0.000 0.000 0.190 361 N C 1.925 177.385 175.510 -0.084 0.000 1.024 361 N CA 1.527 54.571 53.050 -0.010 0.000 0.853 361 N CB -0.353 38.189 38.487 0.092 0.000 1.008 361 N HN 0.305 nan 8.380 nan 0.000 0.424 362 M N 0.652 120.080 119.600 -0.286 0.000 2.080 362 M HA -0.186 4.294 4.480 0.000 0.000 0.260 362 M C 2.158 178.195 176.300 -0.438 0.000 1.068 362 M CA 1.541 56.457 55.300 -0.640 0.000 1.109 362 M CB -0.268 31.916 32.600 -0.695 0.000 1.342 362 M HN 0.198 nan 8.290 nan 0.000 0.405 363 E N 0.468 120.492 120.200 -0.293 0.000 2.152 363 E HA -0.192 4.158 4.350 0.000 0.000 0.192 363 E C 1.977 178.440 176.600 -0.227 0.000 0.983 363 E CA 0.901 57.144 56.400 -0.261 0.000 0.818 363 E CB 0.077 29.680 29.700 -0.161 0.000 0.758 363 E HN 0.332 nan 8.360 nan 0.000 0.467 364 K N 0.222 120.535 120.400 -0.145 0.000 2.103 364 K HA -0.142 4.178 4.320 0.000 0.000 0.207 364 K C 1.889 178.431 176.600 -0.098 0.000 1.048 364 K CA 1.147 57.381 56.287 -0.088 0.000 0.930 364 K CB -0.160 32.313 32.500 -0.044 0.000 0.716 364 K HN 0.162 nan 8.250 nan 0.000 0.444 365 A N 0.733 123.491 122.820 -0.103 0.000 2.121 365 A HA -0.023 4.297 4.320 0.000 0.000 0.218 365 A C 0.450 177.930 177.584 -0.173 0.000 1.154 365 A CA 0.508 52.507 52.037 -0.063 0.000 0.679 365 A CB -0.173 18.883 19.000 0.092 0.000 0.795 365 A HN 0.183 nan 8.150 nan 0.000 0.458 366 L N 2.119 123.132 121.223 -0.350 0.000 2.456 366 L HA 0.224 4.564 4.340 0.000 0.000 0.277 366 L C 0.931 177.631 176.870 -0.283 0.000 1.124 366 L CA 0.635 55.110 54.840 -0.608 0.000 0.880 366 L CB 0.065 41.221 42.059 -1.505 0.000 1.192 366 L HN 0.358 nan 8.230 nan 0.000 0.463 367 T N 0.953 115.485 114.554 -0.038 0.000 2.925 367 T HA 0.497 4.847 4.350 0.000 0.000 0.285 367 T C -1.912 172.982 174.700 0.323 0.000 1.021 367 T CA -2.024 60.161 62.100 0.143 0.000 1.042 367 T CB 1.737 70.644 68.868 0.064 0.000 1.037 367 T HN 0.292 nan 8.240 nan 0.000 0.481 368 P HA -0.103 nan 4.420 nan 0.000 0.219 368 P C 1.312 178.746 177.300 0.224 0.000 1.146 368 P CA 0.944 64.204 63.100 0.266 0.000 0.808 368 P CB -0.017 31.773 31.700 0.150 0.000 0.779 369 E N -0.457 119.838 120.200 0.159 0.000 2.268 369 E HA -0.142 4.209 4.350 0.000 0.000 0.195 369 E C 1.579 178.252 176.600 0.122 0.000 0.995 369 E CA 0.932 57.405 56.400 0.122 0.000 0.836 369 E CB -0.892 28.858 29.700 0.083 0.000 0.763 369 E HN 0.261 nan 8.360 nan 0.000 0.491 370 M N 0.644 120.331 119.600 0.146 0.000 2.562 370 M HA 0.059 4.539 4.480 0.000 0.000 0.257 370 M C 1.347 177.732 176.300 0.142 0.000 1.099 370 M CA 0.817 56.193 55.300 0.127 0.000 1.099 370 M CB 0.123 32.794 32.600 0.118 0.000 1.427 370 M HN 0.131 nan 8.290 nan 0.000 0.489 371 L N -0.656 120.655 121.223 0.146 0.000 2.653 371 L HA 0.251 4.591 4.340 0.000 0.000 0.231 371 L C 2.328 179.213 176.870 0.026 0.000 1.153 371 L CA -0.402 54.474 54.840 0.061 0.000 0.933 371 L CB -0.614 41.419 42.059 -0.044 0.000 1.175 371 L HN 0.191 nan 8.230 nan 0.000 0.473 372 A N 0.465 123.333 122.820 0.080 0.000 1.908 372 A HA -0.189 4.131 4.320 0.000 0.000 0.218 372 A C 2.356 179.988 177.584 0.080 0.000 1.181 372 A CA 2.435 54.523 52.037 0.084 0.000 0.627 372 A CB -0.651 18.409 19.000 0.100 0.000 0.818 372 A HN 0.345 nan 8.150 nan 0.000 0.445 373 T N 0.237 114.855 114.554 0.105 0.000 2.788 373 T HA -0.120 4.230 4.350 0.000 0.000 0.268 373 T C 1.433 176.184 174.700 0.085 0.000 1.044 373 T CA 1.555 63.741 62.100 0.143 0.000 1.139 373 T CB -0.430 68.545 68.868 0.178 0.000 0.867 373 T HN 0.473 nan 8.240 nan 0.000 0.454 374 D N 0.851 121.280 120.400 0.047 0.000 2.178 374 D HA -0.027 4.613 4.640 0.000 0.000 0.201 374 D C 1.956 178.235 176.300 -0.035 0.000 0.980 374 D CA 0.409 54.406 54.000 -0.006 0.000 0.842 374 D CB -0.418 40.345 40.800 -0.061 0.000 0.948 374 D HN 0.190 nan 8.370 nan 0.000 0.472 375 L N 0.880 122.071 121.223 -0.055 0.000 2.017 375 L HA -0.054 4.286 4.340 0.000 0.000 0.208 375 L C 2.111 179.046 176.870 0.108 0.000 1.073 375 L CA 1.724 56.565 54.840 0.002 0.000 0.745 375 L CB -0.858 41.210 42.059 0.016 0.000 0.894 375 L HN -0.015 nan 8.230 nan 0.000 0.432 376 A N -0.488 122.330 122.820 -0.004 0.000 1.877 376 A HA -0.186 4.134 4.320 0.000 0.000 0.216 376 A C 2.240 179.702 177.584 -0.205 0.000 1.186 376 A CA 1.984 53.901 52.037 -0.201 0.000 0.620 376 A CB -1.027 17.651 19.000 -0.537 0.000 0.822 376 A HN 0.494 nan 8.150 nan 0.000 0.443 377 L N -1.598 119.562 121.223 -0.104 0.000 2.353 377 L HA -0.197 4.143 4.340 0.000 0.000 0.220 377 L C 2.482 179.327 176.870 -0.040 0.000 1.133 377 L CA 1.333 56.139 54.840 -0.057 0.000 0.798 377 L CB -0.595 41.461 42.059 -0.004 0.000 0.922 377 L HN 0.655 nan 8.230 nan 0.000 0.445 378 Y N 0.699 120.939 120.300 -0.100 0.000 2.145 378 Y HA -0.245 4.305 4.550 0.000 0.000 0.286 378 Y C 2.161 177.994 175.900 -0.112 0.000 1.145 378 Y CA 1.481 59.533 58.100 -0.081 0.000 1.148 378 Y CB -0.088 38.358 38.460 -0.023 0.000 0.981 378 Y HN -0.027 nan 8.280 nan 0.000 0.507 379 L N -0.691 120.348 121.223 -0.308 0.000 2.056 379 L HA -0.150 4.190 4.340 0.000 0.000 0.207 379 L C 2.568 179.254 176.870 -0.306 0.000 1.078 379 L CA 1.269 55.857 54.840 -0.420 0.000 0.749 379 L CB -1.356 40.503 42.059 -0.333 0.000 0.901 379 L HN 0.114 nan 8.230 nan 0.000 0.433 380 V N -0.171 119.616 119.914 -0.212 0.000 2.317 380 V HA -0.341 3.779 4.120 0.000 0.000 0.251 380 V C 2.626 178.641 176.094 -0.132 0.000 1.065 380 V CA 1.828 64.052 62.300 -0.126 0.000 1.049 380 V CB -0.652 31.139 31.823 -0.054 0.000 0.651 380 V HN 0.449 nan 8.190 nan 0.000 0.450 381 R N -0.377 120.021 120.500 -0.170 0.000 2.235 381 R HA -0.050 4.290 4.340 0.000 0.000 0.213 381 R C 2.252 178.435 176.300 -0.195 0.000 1.059 381 R CA 0.539 56.545 56.100 -0.156 0.000 0.997 381 R CB -0.158 30.055 30.300 -0.144 0.000 0.884 381 R HN 0.447 nan 8.270 nan 0.000 0.462 382 K N -0.785 119.443 120.400 -0.286 0.000 2.116 382 K HA 0.035 4.355 4.320 0.000 0.000 0.203 382 K C 1.510 178.003 176.600 -0.179 0.000 1.052 382 K CA 1.451 57.571 56.287 -0.278 0.000 0.952 382 K CB 0.311 32.570 32.500 -0.401 0.000 0.729 382 K HN 0.412 nan 8.250 nan 0.000 0.446 383 G N 0.013 108.716 108.800 -0.162 0.000 2.935 383 G HA2 -0.142 3.818 3.960 0.000 0.000 0.213 383 G HA3 -0.142 3.818 3.960 0.000 0.000 0.213 383 G C -0.103 174.740 174.900 -0.094 0.000 0.984 383 G CA -0.249 44.788 45.100 -0.106 0.000 0.790 383 G HN 0.025 nan 8.290 nan 0.000 0.538 384 V N 2.878 122.714 119.914 -0.131 0.000 2.599 384 V HA 0.290 4.410 4.120 0.000 0.000 0.300 384 V C -1.383 174.675 176.094 -0.060 0.000 1.034 384 V CA -0.583 61.650 62.300 -0.112 0.000 1.115 384 V CB 0.971 32.692 31.823 -0.170 0.000 0.934 384 V HN 0.138 nan 8.190 nan 0.000 0.485 385 P HA 0.018 nan 4.420 nan 0.000 0.267 385 P C 0.591 177.949 177.300 0.097 0.000 1.200 385 P CA -0.129 63.002 63.100 0.052 0.000 0.772 385 P CB 0.359 32.090 31.700 0.051 0.000 0.855 386 F N 3.725 123.693 119.950 0.031 0.000 2.037 386 F HA -0.350 4.177 4.527 0.000 0.000 0.296 386 F C 2.378 178.298 175.800 0.201 0.000 1.132 386 F CA 2.136 60.212 58.000 0.127 0.000 1.211 386 F CB -0.467 38.611 39.000 0.130 0.000 0.951 386 F HN 0.187 nan 8.300 nan 0.000 0.503 387 R N 0.510 121.084 120.500 0.124 0.000 2.091 387 R HA -0.168 4.172 4.340 0.000 0.000 0.238 387 R C 2.225 178.494 176.300 -0.051 0.000 1.136 387 R CA 1.926 58.013 56.100 -0.022 0.000 0.959 387 R CB -0.753 29.624 30.300 0.128 0.000 0.856 387 R HN 0.485 nan 8.270 nan 0.000 0.437 388 Q N -0.451 119.335 119.800 -0.022 0.000 2.170 388 Q HA -0.046 4.294 4.340 0.000 0.000 0.203 388 Q C 1.997 177.945 176.000 -0.087 0.000 0.976 388 Q CA 1.671 57.449 55.803 -0.041 0.000 0.858 388 Q CB -0.410 28.307 28.738 -0.035 0.000 0.907 388 Q HN 0.441 nan 8.270 nan 0.000 0.433 389 A N 1.054 123.781 122.820 -0.155 0.000 1.855 389 A HA -0.143 4.177 4.320 0.000 0.000 0.213 389 A C 1.887 179.327 177.584 -0.241 0.000 1.195 389 A CA 0.946 52.844 52.037 -0.232 0.000 0.610 389 A CB -0.783 18.018 19.000 -0.332 0.000 0.837 389 A HN 0.335 nan 8.150 nan 0.000 0.444 390 H N 0.445 119.380 119.070 -0.225 0.000 2.457 390 H HA -0.114 4.442 4.556 0.000 0.000 0.297 390 H C 2.416 177.682 175.328 -0.104 0.000 1.092 390 H CA 2.045 57.967 56.048 -0.210 0.000 1.309 390 H CB -0.468 29.034 29.762 -0.432 0.000 1.382 390 H HN 0.700 nan 8.280 nan 0.000 0.535 391 T N -2.023 112.533 114.554 0.004 0.000 3.014 391 T HA 0.186 4.536 4.350 0.000 0.000 0.263 391 T C 2.300 177.027 174.700 0.045 0.000 1.078 391 T CA 0.637 62.749 62.100 0.020 0.000 1.135 391 T CB -0.194 68.677 68.868 0.006 0.000 0.895 391 T HN 0.280 nan 8.240 nan 0.000 0.480 392 A N 1.391 124.238 122.820 0.044 0.000 1.969 392 A HA 0.070 4.390 4.320 0.000 0.000 0.218 392 A C 2.627 180.330 177.584 0.198 0.000 1.169 392 A CA 1.734 53.843 52.037 0.120 0.000 0.635 392 A CB -1.059 17.988 19.000 0.079 0.000 0.810 392 A HN 0.522 nan 8.150 nan 0.000 0.445 393 S N -0.690 115.098 115.700 0.146 0.000 2.414 393 S HA 0.045 4.515 4.470 0.000 0.000 0.227 393 S C 1.958 176.627 174.600 0.115 0.000 1.022 393 S CA 1.352 59.643 58.200 0.152 0.000 0.958 393 S CB -0.480 62.780 63.200 0.100 0.000 0.797 393 S HN 0.647 nan 8.310 nan 0.000 0.493 394 G N 0.927 109.783 108.800 0.094 0.000 2.422 394 G HA2 -0.104 3.856 3.960 0.000 0.000 0.218 394 G HA3 -0.104 3.856 3.960 0.000 0.000 0.218 394 G C 1.521 176.478 174.900 0.095 0.000 1.140 394 G CA 0.404 45.552 45.100 0.080 0.000 0.775 394 G HN 0.518 nan 8.290 nan 0.000 0.545 395 K N 0.329 120.791 120.400 0.104 0.000 2.305 395 K HA 0.274 4.594 4.320 0.000 0.000 0.199 395 K C 2.734 179.414 176.600 0.133 0.000 1.047 395 K CA 0.535 56.903 56.287 0.134 0.000 0.976 395 K CB 0.133 32.702 32.500 0.115 0.000 0.765 395 K HN 0.251 nan 8.250 nan 0.000 0.474 396 A N 0.976 123.855 122.820 0.097 0.000 1.929 396 A HA -0.061 4.259 4.320 0.000 0.000 0.216 396 A C 2.229 179.834 177.584 0.036 0.000 1.176 396 A CA 0.931 52.986 52.037 0.030 0.000 0.628 396 A CB -0.344 18.647 19.000 -0.015 0.000 0.816 396 A HN 0.037 nan 8.150 nan 0.000 0.444 397 V N -0.402 119.557 119.914 0.075 0.000 2.515 397 V HA -0.217 3.903 4.120 0.000 0.000 0.250 397 V C 2.388 178.535 176.094 0.088 0.000 1.058 397 V CA 2.328 64.672 62.300 0.072 0.000 1.064 397 V CB -0.931 30.944 31.823 0.087 0.000 0.675 397 V HN 0.833 nan 8.190 nan 0.000 0.461 398 H N 0.323 119.401 119.070 0.014 0.000 2.284 398 H HA -0.106 4.450 4.556 0.000 0.000 0.304 398 H C 1.919 177.246 175.328 -0.001 0.000 1.069 398 H CA 2.000 58.054 56.048 0.009 0.000 1.327 398 H CB -0.373 29.398 29.762 0.015 0.000 1.387 398 H HN 0.232 nan 8.280 nan 0.000 0.498 399 L N 0.468 121.646 121.223 -0.075 0.000 2.263 399 L HA -0.122 4.218 4.340 0.000 0.000 0.216 399 L C 2.155 178.941 176.870 -0.139 0.000 1.111 399 L CA 1.889 56.644 54.840 -0.142 0.000 0.773 399 L CB -1.098 40.935 42.059 -0.044 0.000 0.906 399 L HN 0.457 nan 8.230 nan 0.000 0.439 400 A N -0.937 121.824 122.820 -0.099 0.000 1.835 400 A HA -0.140 4.180 4.320 0.000 0.000 0.213 400 A C 2.237 179.766 177.584 -0.092 0.000 1.210 400 A CA 1.095 53.078 52.037 -0.090 0.000 0.605 400 A CB -0.860 18.102 19.000 -0.063 0.000 0.860 400 A HN 0.458 nan 8.150 nan 0.000 0.447 401 E N 0.220 120.375 120.200 -0.076 0.000 2.187 401 E HA -0.194 4.156 4.350 0.000 0.000 0.199 401 E C 1.924 178.466 176.600 -0.096 0.000 1.004 401 E CA 1.905 58.267 56.400 -0.063 0.000 0.813 401 E CB -0.492 29.193 29.700 -0.026 0.000 0.736 401 E HN 0.539 nan 8.360 nan 0.000 0.468 402 T N 1.126 115.579 114.554 -0.168 0.000 2.622 402 T HA -0.140 4.210 4.350 0.000 0.000 0.266 402 T C 1.838 176.473 174.700 -0.108 0.000 1.047 402 T CA 1.852 63.848 62.100 -0.175 0.000 1.159 402 T CB -0.137 68.572 68.868 -0.265 0.000 0.863 402 T HN 0.262 nan 8.240 nan 0.000 0.422 403 K N 0.491 120.829 120.400 -0.103 0.000 2.362 403 K HA 0.149 4.469 4.320 0.000 0.000 0.200 403 K C 1.300 177.861 176.600 -0.065 0.000 1.046 403 K CA 0.578 56.818 56.287 -0.078 0.000 0.952 403 K CB -0.022 32.430 32.500 -0.080 0.000 0.753 403 K HN 0.478 nan 8.250 nan 0.000 0.466 404 G N 2.321 111.082 108.800 -0.065 0.000 2.255 404 G HA2 -0.209 3.751 3.960 0.000 0.000 0.239 404 G HA3 -0.209 3.751 3.960 0.000 0.000 0.239 404 G C -0.026 174.842 174.900 -0.053 0.000 1.083 404 G CA 0.351 45.420 45.100 -0.051 0.000 0.826 404 G HN 0.426 nan 8.290 nan 0.000 0.493 405 I N -3.551 116.982 120.570 -0.062 0.000 3.466 405 I HA 0.949 5.119 4.170 0.000 0.000 0.311 405 I C 0.299 176.374 176.117 -0.070 0.000 1.155 405 I CA -0.769 60.489 61.300 -0.070 0.000 0.959 405 I CB 1.863 39.810 38.000 -0.089 0.000 1.332 405 I HN 0.254 nan 8.210 nan 0.000 0.483 406 T N -0.693 113.810 114.554 -0.085 0.000 2.929 406 T HA 0.423 4.773 4.350 0.000 0.000 0.284 406 T C 1.341 175.954 174.700 -0.146 0.000 1.014 406 T CA -0.465 61.587 62.100 -0.081 0.000 1.051 406 T CB 1.599 70.429 68.868 -0.063 0.000 1.028 406 T HN 0.783 nan 8.240 nan 0.000 0.485 407 I N 0.557 121.056 120.570 -0.119 0.000 2.315 407 I HA -0.218 3.952 4.170 0.000 0.000 0.251 407 I C 1.996 177.769 176.117 -0.574 0.000 1.125 407 I CA 1.781 62.971 61.300 -0.183 0.000 1.392 407 I CB -0.792 37.232 38.000 0.039 0.000 1.065 407 I HN 0.730 nan 8.210 nan 0.000 0.424 408 N N 1.356 119.578 118.700 -0.796 0.000 2.550 408 N HA -0.167 4.573 4.740 0.000 0.000 0.186 408 N C 0.894 175.969 175.510 -0.724 0.000 1.110 408 N CA 0.870 53.078 53.050 -1.405 0.000 0.912 408 N CB -0.764 37.197 38.487 -0.877 0.000 0.968 408 N HN 0.559 nan 8.380 nan 0.000 0.448 409 N N 0.391 118.825 118.700 -0.444 0.000 2.325 409 N HA 0.162 4.902 4.740 0.000 0.000 0.182 409 N C 0.256 175.619 175.510 -0.245 0.000 1.088 409 N CA -0.116 52.765 53.050 -0.283 0.000 0.879 409 N CB 0.726 39.100 38.487 -0.189 0.000 0.983 409 N HN 0.244 nan 8.380 nan 0.000 0.471 410 L N 2.040 123.096 121.223 -0.278 0.000 2.525 410 L HA -0.006 4.334 4.340 0.000 0.000 0.278 410 L C 1.089 177.841 176.870 -0.196 0.000 1.218 410 L CA -0.094 54.617 54.840 -0.214 0.000 0.878 410 L CB 0.232 42.158 42.059 -0.223 0.000 1.127 410 L HN 0.099 nan 8.230 nan 0.000 0.492 411 S N 2.432 118.048 115.700 -0.140 0.000 2.603 411 S HA 0.135 4.605 4.470 0.000 0.000 0.268 411 S C 0.823 175.362 174.600 -0.102 0.000 1.317 411 S CA -0.834 57.300 58.200 -0.110 0.000 1.012 411 S CB 1.315 64.469 63.200 -0.077 0.000 0.926 411 S HN 0.568 nan 8.310 nan 0.000 0.539 412 L N 0.846 122.025 121.223 -0.073 0.000 2.081 412 L HA -0.061 4.279 4.340 0.000 0.000 0.212 412 L C 2.454 179.311 176.870 -0.021 0.000 1.080 412 L CA 2.291 57.105 54.840 -0.044 0.000 0.754 412 L CB -1.197 40.855 42.059 -0.012 0.000 0.893 412 L HN 0.981 nan 8.230 nan 0.000 0.433 413 E N 0.154 120.340 120.200 -0.023 0.000 2.033 413 E HA -0.264 4.086 4.350 0.000 0.000 0.199 413 E C 1.804 178.398 176.600 -0.010 0.000 1.011 413 E CA 2.117 58.512 56.400 -0.008 0.000 0.815 413 E CB -0.403 29.288 29.700 -0.015 0.000 0.755 413 E HN 0.609 nan 8.360 nan 0.000 0.451 414 D N -0.322 120.056 120.400 -0.037 0.000 2.190 414 D HA -0.166 4.474 4.640 0.000 0.000 0.200 414 D C 1.917 178.192 176.300 -0.042 0.000 0.992 414 D CA 1.064 55.038 54.000 -0.042 0.000 0.854 414 D CB -0.123 40.635 40.800 -0.070 0.000 0.936 414 D HN 0.231 nan 8.370 nan 0.000 0.462 415 L N 0.263 121.437 121.223 -0.081 0.000 2.044 415 L HA -0.102 4.238 4.340 0.000 0.000 0.205 415 L C 2.143 179.105 176.870 0.153 0.000 1.075 415 L CA 1.067 55.829 54.840 -0.131 0.000 0.747 415 L CB -0.298 41.516 42.059 -0.408 0.000 0.903 415 L HN -0.037 nan 8.230 nan 0.000 0.435 416 K N 0.085 120.581 120.400 0.159 0.000 2.280 416 K HA -0.124 4.196 4.320 0.000 0.000 0.202 416 K C 2.142 178.823 176.600 0.136 0.000 1.047 416 K CA 1.483 57.884 56.287 0.191 0.000 0.942 416 K CB -0.155 32.419 32.500 0.123 0.000 0.739 416 K HN 0.381 nan 8.250 nan 0.000 0.457 417 S N 0.244 116.001 115.700 0.096 0.000 2.522 417 S HA 0.010 4.480 4.470 0.000 0.000 0.227 417 S C 1.704 176.361 174.600 0.095 0.000 0.986 417 S CA 0.500 58.744 58.200 0.073 0.000 0.929 417 S CB -0.217 63.010 63.200 0.044 0.000 0.769 417 S HN 0.215 nan 8.310 nan 0.000 0.529 418 I N 0.132 120.791 120.570 0.148 0.000 3.339 418 I HA 0.239 4.409 4.170 0.000 0.000 0.285 418 I C 0.729 176.969 176.117 0.206 0.000 1.201 418 I CA 0.200 61.609 61.300 0.182 0.000 1.434 418 I CB 0.572 38.709 38.000 0.227 0.000 1.152 418 I HN 0.311 nan 8.210 nan 0.000 0.443 419 S N 0.020 115.873 115.700 0.254 0.000 2.511 419 S HA 0.258 4.728 4.470 0.000 0.000 0.283 419 S C -2.432 172.233 174.600 0.109 0.000 1.078 419 S CA -0.706 57.556 58.200 0.103 0.000 0.994 419 S CB 1.071 64.215 63.200 -0.093 0.000 1.171 419 S HN -0.206 nan 8.310 nan 0.000 0.444 420 P HA -0.027 nan 4.420 nan 0.000 0.234 420 P C 0.966 178.283 177.300 0.028 0.000 1.162 420 P CA 0.590 63.726 63.100 0.059 0.000 0.759 420 P CB 0.161 31.879 31.700 0.030 0.000 0.813 421 Q N -1.912 117.849 119.800 -0.066 0.000 2.451 421 Q HA 0.074 4.414 4.340 0.000 0.000 0.206 421 Q C 0.190 176.174 176.000 -0.027 0.000 0.947 421 Q CA 0.418 56.144 55.803 -0.129 0.000 0.937 421 Q CB -0.167 28.406 28.738 -0.275 0.000 1.025 421 Q HN 0.344 nan 8.270 nan 0.000 0.511 422 F N 1.463 121.517 119.950 0.174 0.000 2.600 422 F HA 0.097 4.624 4.527 0.000 0.000 0.345 422 F C 1.206 177.098 175.800 0.152 0.000 1.271 422 F CA -0.360 57.781 58.000 0.236 0.000 1.138 422 F CB -0.113 38.954 39.000 0.112 0.000 1.449 422 F HN -0.205 nan 8.300 nan 0.000 0.645 423 S N 1.280 117.203 115.700 0.372 0.000 2.617 423 S HA 0.041 4.511 4.470 0.000 0.000 0.255 423 S C 1.630 176.325 174.600 0.157 0.000 1.318 423 S CA 0.044 58.377 58.200 0.222 0.000 0.978 423 S CB 0.592 63.915 63.200 0.206 0.000 0.961 423 S HN 0.617 nan 8.310 nan 0.000 0.582 424 S N 0.428 116.186 115.700 0.095 0.000 2.522 424 S HA -0.069 4.401 4.470 0.000 0.000 0.227 424 S C 1.033 175.652 174.600 0.031 0.000 0.986 424 S CA 0.908 59.137 58.200 0.048 0.000 0.929 424 S CB -0.590 62.629 63.200 0.033 0.000 0.769 424 S HN 0.837 nan 8.310 nan 0.000 0.529 425 D N 1.356 121.793 120.400 0.063 0.000 2.363 425 D HA 0.011 4.651 4.640 0.000 0.000 0.220 425 D C 1.545 177.818 176.300 -0.044 0.000 0.994 425 D CA 0.184 54.214 54.000 0.050 0.000 0.890 425 D CB -0.650 40.221 40.800 0.119 0.000 0.906 425 D HN 0.349 nan 8.370 nan 0.000 0.530 426 V N 1.230 121.035 119.914 -0.182 0.000 3.140 426 V HA -0.218 3.902 4.120 0.000 0.000 0.269 426 V C 2.107 178.082 176.094 -0.200 0.000 1.149 426 V CA 2.001 63.987 62.300 -0.523 0.000 1.162 426 V CB -0.831 30.714 31.823 -0.463 0.000 0.756 426 V HN 0.439 nan 8.190 nan 0.000 0.523 427 S N -1.110 114.564 115.700 -0.045 0.000 2.461 427 S HA -0.234 4.236 4.470 0.000 0.000 0.228 427 S C 1.867 176.481 174.600 0.022 0.000 1.005 427 S CA 1.245 59.488 58.200 0.072 0.000 0.942 427 S CB -0.385 62.832 63.200 0.027 0.000 0.776 427 S HN 0.767 nan 8.310 nan 0.000 0.514 428 Q N 0.849 120.621 119.800 -0.046 0.000 2.364 428 Q HA -0.043 4.297 4.340 0.000 0.000 0.207 428 Q C 1.696 177.621 176.000 -0.125 0.000 0.970 428 Q CA 1.056 56.827 55.803 -0.055 0.000 0.888 428 Q CB -0.246 28.478 28.738 -0.025 0.000 0.951 428 Q HN 0.555 nan 8.270 nan 0.000 0.469 429 V N 0.208 119.976 119.914 -0.243 0.000 2.323 429 V HA -0.173 3.947 4.120 0.000 0.000 0.244 429 V C 0.837 176.613 176.094 -0.529 0.000 1.041 429 V CA 1.217 63.260 62.300 -0.427 0.000 1.025 429 V CB -0.425 30.984 31.823 -0.689 0.000 0.656 429 V HN 0.280 nan 8.190 nan 0.000 0.451 430 F N 2.242 122.067 119.950 -0.209 0.000 2.651 430 F HA 0.300 4.827 4.527 0.000 0.000 0.369 430 F C 0.634 176.206 175.800 -0.380 0.000 1.187 430 F CA 0.229 58.050 58.000 -0.298 0.000 1.335 430 F CB -0.681 38.176 39.000 -0.237 0.000 1.707 430 F HN 0.141 nan 8.300 nan 0.000 0.637 431 N N 0.848 119.336 118.700 -0.354 0.000 2.478 431 N HA 0.125 4.865 4.740 0.000 0.000 0.291 431 N C 0.057 175.371 175.510 -0.326 0.000 1.090 431 N CA -0.480 52.384 53.050 -0.310 0.000 0.911 431 N CB 0.700 39.113 38.487 -0.124 0.000 1.546 431 N HN 0.152 nan 8.380 nan 0.000 0.500 432 F N 1.579 121.543 119.950 0.025 0.000 2.325 432 F HA -0.032 4.495 4.527 0.000 0.000 0.299 432 F C 2.213 178.029 175.800 0.027 0.000 1.090 432 F CA 0.449 58.462 58.000 0.021 0.000 1.392 432 F CB 0.255 39.260 39.000 0.009 0.000 1.053 432 F HN 0.305 nan 8.300 nan 0.000 0.521 433 V N 0.343 120.351 119.914 0.158 0.000 2.358 433 V HA -0.255 3.865 4.120 0.000 0.000 0.246 433 V C 1.992 178.135 176.094 0.081 0.000 1.047 433 V CA 1.723 64.090 62.300 0.111 0.000 1.035 433 V CB -0.593 31.276 31.823 0.077 0.000 0.658 433 V HN 0.334 nan 8.190 nan 0.000 0.452 434 N N -0.035 118.688 118.700 0.039 0.000 2.166 434 N HA -0.140 4.600 4.740 0.000 0.000 0.186 434 N C 2.119 177.648 175.510 0.031 0.000 1.019 434 N CA 1.657 54.715 53.050 0.014 0.000 0.856 434 N CB -0.471 37.999 38.487 -0.028 0.000 0.993 434 N HN 0.443 nan 8.380 nan 0.000 0.426 435 S N 0.557 116.290 115.700 0.055 0.000 2.351 435 S HA -0.074 4.396 4.470 0.000 0.000 0.220 435 S C 2.073 176.811 174.600 0.229 0.000 1.035 435 S CA 1.126 59.397 58.200 0.118 0.000 1.031 435 S CB -0.356 62.942 63.200 0.163 0.000 0.928 435 S HN 0.068 nan 8.310 nan 0.000 0.433 436 V N 2.261 122.311 119.914 0.226 0.000 2.407 436 V HA -0.063 4.057 4.120 0.000 0.000 0.248 436 V C 2.384 178.633 176.094 0.258 0.000 1.055 436 V CA 1.700 64.160 62.300 0.266 0.000 1.049 436 V CB -0.664 31.259 31.823 0.166 0.000 0.662 436 V HN 0.448 nan 8.190 nan 0.000 0.455 437 E N 0.005 120.290 120.200 0.140 0.000 2.515 437 E HA -0.159 4.191 4.350 0.000 0.000 0.201 437 E C 2.121 178.735 176.600 0.023 0.000 1.071 437 E CA 0.496 56.946 56.400 0.084 0.000 0.880 437 E CB -0.149 29.581 29.700 0.050 0.000 0.828 437 E HN 0.722 nan 8.360 nan 0.000 0.540 438 Q N -0.728 119.046 119.800 -0.043 0.000 2.245 438 Q HA -0.073 4.267 4.340 0.000 0.000 0.201 438 Q C 0.214 175.997 176.000 -0.362 0.000 0.955 438 Q CA 0.600 56.247 55.803 -0.260 0.000 0.870 438 Q CB -0.045 28.402 28.738 -0.485 0.000 0.945 438 Q HN 0.355 nan 8.270 nan 0.000 0.461 439 Y N 1.444 121.760 120.300 0.028 0.000 2.735 439 Y HA 0.037 4.587 4.550 0.000 0.000 0.354 439 Y C 1.497 177.410 175.900 0.021 0.000 1.288 439 Y CA 0.187 58.302 58.100 0.026 0.000 1.836 439 Y CB -0.497 37.982 38.460 0.030 0.000 1.920 439 Y HN 0.130 nan 8.280 nan 0.000 0.438 440 T N -2.312 112.278 114.554 0.061 0.000 2.978 440 T HA 0.128 4.478 4.350 0.000 0.000 0.262 440 T C 1.289 176.020 174.700 0.052 0.000 1.063 440 T CA 0.244 62.375 62.100 0.051 0.000 1.140 440 T CB -0.196 68.682 68.868 0.017 0.000 0.886 440 T HN 0.455 nan 8.240 nan 0.000 0.470 441 A N 2.337 125.187 122.820 0.050 0.000 2.587 441 A HA 0.334 4.654 4.320 0.000 0.000 0.235 441 A C 0.571 178.188 177.584 0.056 0.000 1.044 441 A CA -0.272 51.793 52.037 0.046 0.000 0.754 441 A CB -0.669 18.361 19.000 0.050 0.000 0.968 441 A HN 0.642 nan 8.150 nan 0.000 0.509 442 L N 1.435 122.680 121.223 0.037 0.000 2.678 442 L HA 0.032 4.372 4.340 0.000 0.000 0.285 442 L C 1.465 178.355 176.870 0.033 0.000 1.233 442 L CA 1.216 56.075 54.840 0.031 0.000 0.920 442 L CB -0.414 41.657 42.059 0.020 0.000 1.176 442 L HN 1.461 nan 8.230 nan 0.000 0.495 443 A N 1.962 124.799 122.820 0.028 0.000 3.645 443 A HA -0.124 4.196 4.320 0.000 0.000 0.235 443 A C 0.944 178.544 177.584 0.026 0.000 0.973 443 A CA 0.496 52.544 52.037 0.018 0.000 1.703 443 A CB -2.224 nan 19.000 nan 0.000 0.886 443 A HN 0.940 nan 8.150 nan 0.000 0.780 444 G N -1.307 107.531 108.800 0.063 0.000 2.683 444 G HA2 0.403 4.363 3.960 0.000 0.000 0.260 444 G HA3 0.403 4.363 3.960 0.000 0.000 0.260 444 G C 0.768 175.708 174.900 0.066 0.000 1.238 444 G CA 0.969 46.126 45.100 0.095 0.000 0.934 444 G HN 0.951 nan 8.290 nan 0.000 0.534 445 T N -0.500 114.087 114.554 0.056 0.000 3.129 445 T HA 0.419 4.769 4.350 0.000 0.000 0.251 445 T C 1.261 176.021 174.700 0.100 0.000 1.117 445 T CA 0.587 62.712 62.100 0.041 0.000 1.034 445 T CB -0.809 68.041 68.868 -0.030 0.000 0.968 445 T HN 0.809 nan 8.240 nan 0.000 0.526 446 A N 1.008 123.916 122.820 0.148 0.000 2.425 446 A HA 0.320 4.640 4.320 0.000 0.000 0.242 446 A C 1.535 179.168 177.584 0.081 0.000 1.077 446 A CA -0.160 51.953 52.037 0.126 0.000 0.781 446 A CB 0.167 19.238 19.000 0.117 0.000 1.020 446 A HN 0.512 nan 8.150 nan 0.000 0.494 447 K N 0.941 121.383 120.400 0.070 0.000 2.113 447 K HA -0.200 4.120 4.320 0.000 0.000 0.208 447 K C 2.162 178.788 176.600 0.044 0.000 1.047 447 K CA 2.132 58.452 56.287 0.055 0.000 0.928 447 K CB -0.168 32.362 32.500 0.051 0.000 0.716 447 K HN 0.892 nan 8.250 nan 0.000 0.446 448 S N -0.535 115.191 115.700 0.042 0.000 2.382 448 S HA -0.097 4.373 4.470 0.000 0.000 0.228 448 S C 2.001 176.621 174.600 0.032 0.000 1.027 448 S CA 1.553 59.773 58.200 0.033 0.000 0.991 448 S CB -0.173 63.045 63.200 0.030 0.000 0.823 448 S HN 0.227 nan 8.310 nan 0.000 0.469 449 S N 1.312 117.036 115.700 0.040 0.000 2.387 449 S HA 0.038 4.508 4.470 0.000 0.000 0.226 449 S C 1.956 176.571 174.600 0.025 0.000 1.026 449 S CA 1.059 59.280 58.200 0.036 0.000 0.972 449 S CB -0.495 62.735 63.200 0.050 0.000 0.814 449 S HN 0.442 nan 8.310 nan 0.000 0.477 450 V N 2.499 122.430 119.914 0.028 0.000 2.261 450 V HA -0.193 3.927 4.120 0.000 0.000 0.246 450 V C 2.972 179.074 176.094 0.013 0.000 1.047 450 V CA 2.120 64.430 62.300 0.017 0.000 1.015 450 V CB -1.704 30.135 31.823 0.026 0.000 0.642 450 V HN 0.748 nan 8.190 nan 0.000 0.446 451 T N -2.275 112.291 114.554 0.019 0.000 2.720 451 T HA -0.265 4.085 4.350 0.000 0.000 0.268 451 T C 1.785 176.492 174.700 0.011 0.000 1.037 451 T CA 2.287 64.397 62.100 0.016 0.000 1.144 451 T CB -0.902 67.978 68.868 0.020 0.000 0.864 451 T HN 0.440 nan 8.240 nan 0.000 0.444 452 T N 1.873 116.434 114.554 0.012 0.000 2.788 452 T HA -0.077 4.273 4.350 0.000 0.000 0.268 452 T C 2.186 176.888 174.700 0.003 0.000 1.044 452 T CA 1.452 63.558 62.100 0.009 0.000 1.139 452 T CB -0.343 68.531 68.868 0.011 0.000 0.867 452 T HN 0.560 nan 8.240 nan 0.000 0.454 453 Q N 0.256 120.056 119.800 0.000 0.000 2.050 453 Q HA 0.016 4.356 4.340 0.000 0.000 0.202 453 Q C 2.344 178.337 176.000 -0.012 0.000 0.980 453 Q CA 1.166 56.963 55.803 -0.009 0.000 0.840 453 Q CB -0.345 28.383 28.738 -0.017 0.000 0.898 453 Q HN 0.511 nan 8.270 nan 0.000 0.424 454 I N 0.861 121.426 120.570 -0.009 0.000 2.335 454 I HA -0.285 3.885 4.170 0.000 0.000 0.251 454 I C 1.820 177.934 176.117 -0.004 0.000 1.129 454 I CA 1.281 62.577 61.300 -0.008 0.000 1.402 454 I CB -0.203 37.796 38.000 -0.001 0.000 1.069 454 I HN 0.262 nan 8.210 nan 0.000 0.424 455 E N 0.224 120.424 120.200 -0.000 0.000 2.122 455 E HA -0.161 4.189 4.350 0.000 0.000 0.190 455 E C 2.160 178.759 176.600 -0.001 0.000 0.977 455 E CA 0.554 56.955 56.400 0.001 0.000 0.820 455 E CB -0.013 29.690 29.700 0.004 0.000 0.770 455 E HN 0.538 nan 8.360 nan 0.000 0.462 456 Q N 0.466 120.264 119.800 -0.003 0.000 2.167 456 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 456 Q C 2.167 178.163 176.000 -0.006 0.000 0.970 456 Q CA 0.882 56.683 55.803 -0.004 0.000 0.855 456 Q CB 0.051 28.786 28.738 -0.005 0.000 0.911 456 Q HN 0.289 nan 8.270 nan 0.000 0.438 457 L N -0.169 121.049 121.223 -0.009 0.000 2.131 457 L HA -0.080 4.260 4.340 0.000 0.000 0.206 457 L C 2.567 179.434 176.870 -0.005 0.000 1.087 457 L CA 0.727 55.561 54.840 -0.011 0.000 0.767 457 L CB -0.283 41.764 42.059 -0.019 0.000 0.917 457 L HN 0.136 nan 8.230 nan 0.000 0.441 458 R N 0.211 120.710 120.500 -0.003 0.000 2.105 458 R HA -0.171 4.170 4.340 0.000 0.000 0.239 458 R C 2.106 178.407 176.300 0.002 0.000 1.135 458 R CA 1.291 57.392 56.100 0.001 0.000 0.967 458 R CB 0.070 30.372 30.300 0.002 0.000 0.861 458 R HN 0.261 nan 8.270 nan 0.000 0.442 459 E N 0.312 120.513 120.200 0.001 0.000 2.208 459 E HA -0.120 4.230 4.350 0.000 0.000 0.193 459 E C 1.953 178.554 176.600 0.002 0.000 0.988 459 E CA 0.484 56.885 56.400 0.002 0.000 0.828 459 E CB 0.063 29.764 29.700 0.002 0.000 0.763 459 E HN 0.322 nan 8.360 nan 0.000 0.478 460 L N 0.162 121.385 121.223 0.001 0.000 2.072 460 L HA -0.060 4.280 4.340 0.000 0.000 0.205 460 L C 2.418 179.291 176.870 0.004 0.000 1.079 460 L CA 1.152 55.994 54.840 0.002 0.000 0.752 460 L CB -0.839 41.221 42.059 0.001 0.000 0.906 460 L HN 0.213 nan 8.230 nan 0.000 0.436 461 M N -0.360 119.243 119.600 0.005 0.000 2.080 461 M HA -0.285 4.195 4.480 0.000 0.000 0.260 461 M C 2.269 178.573 176.300 0.006 0.000 1.068 461 M CA 1.780 57.085 55.300 0.008 0.000 1.109 461 M CB -0.457 32.148 32.600 0.008 0.000 1.342 461 M HN 0.140 nan 8.290 nan 0.000 0.405 462 K N 0.809 121.211 120.400 0.004 0.000 2.032 462 K HA -0.258 4.063 4.320 0.000 0.000 0.209 462 K C 2.034 178.635 176.600 0.001 0.000 1.048 462 K CA 1.820 58.109 56.287 0.003 0.000 0.927 462 K CB -0.031 32.471 32.500 0.002 0.000 0.712 462 K HN -0.036 nan 8.250 nan 0.000 0.441 463 K N 1.234 121.635 120.400 0.002 0.000 1.991 463 K HA -0.153 4.167 4.320 0.000 0.000 0.212 463 K C 0.571 177.170 176.600 -0.001 0.000 1.049 463 K CA 1.701 57.988 56.287 0.001 0.000 0.932 463 K CB -0.117 32.385 32.500 0.002 0.000 0.717 463 K HN 0.247 nan 8.250 nan 0.000 0.441 464 Q N 1.242 121.043 119.800 0.002 0.000 3.107 464 Q HA 0.079 4.419 4.340 0.000 0.000 0.268 464 Q C -0.687 175.312 176.000 -0.002 0.000 1.382 464 Q CA 0.204 56.007 55.803 0.001 0.000 0.927 464 Q CB -0.072 28.671 28.738 0.009 0.000 1.755 464 Q HN 0.146 nan 8.270 nan 0.000 0.545 465 K N 0.000 120.396 120.400 -0.007 0.000 2.780 465 K HA 0.000 4.320 4.320 0.000 0.000 0.191 465 K CA 0.000 56.281 56.287 -0.010 0.000 0.838 465 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 465 K HN 0.000 nan 8.250 nan 0.000 0.543