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 3omi_1_C DATA FIRST_RESID 20 DATA SEQUENCE WFMSTNHKDI GVLYLFTGGL VGLISVAFTV YMRMELMAPG VQFMcAEHLE DATA SEQUENCE SGLVKGFFQS LWPSAVENcT PNGHLWNVMI TGHGILMMFF VVIPALFGGF DATA SEQUENCE GNYFMPLHIG APAMAFPRMN NLSYWLYVAG TSLAVASLFA PGGNGQLGSG DATA SEQUENCE IGWVLYPPLS TSESGYSTDL AIFAVHLSGA SSILGAINMI TTFLNMRAPG DATA SEQUENCE MTMHKVPLFA WSIFVTAWLI LLALPVLAGA ITMLLTDRNF GTTFFQPSGG DATA SEQUENCE GDPVLYQHIL WFFGHPEVYI IVLPAFGIVS HVIATFAKKP IFGYLPMVYA DATA SEQUENCE MVAIGVLGFV VWAHHMYTAG LSLTQQSYFM MATMVIAVPT GIKIFSWIAT DATA SEQUENCE MWGGSIELKT PMLWALGFLF LFTVGGVTGI VLSQASVDRY YHDTYYVVAH DATA SEQUENCE FHYVMSLGAV FGIFAGIYFW IGKMSGRQYP EWAGKLHFWM MFVGANLTFF DATA SEQUENCE PQHFLGRQGM PRRYIDYPEA FATWNFVSSL GAFLSFASFL FFLGVIFYTL DATA SEQUENCE TRGARVTANN YWNEHADTLE WTLTSPPPEH 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 W HA 0.000 nan 4.660 nan 0.000 0.303 20 W C 0.000 176.358 176.519 -0.268 0.000 1.175 20 W CA 0.000 57.224 57.345 -0.202 0.000 1.226 20 W CB 0.000 29.251 29.460 -0.348 0.000 1.126 21 F N 1.108 121.056 119.950 -0.002 0.000 2.367 21 F HA 0.177 4.704 4.527 -0.001 0.000 0.298 21 F C 2.286 178.204 175.800 0.196 0.000 1.094 21 F CA 2.046 60.097 58.000 0.085 0.000 1.409 21 F CB -0.350 38.852 39.000 0.337 0.000 1.064 21 F HN 0.044 nan 8.300 nan 0.000 0.528 22 M N -0.337 119.436 119.600 0.288 0.000 2.254 22 M HA -0.054 4.425 4.480 -0.001 0.000 0.265 22 M C 1.206 177.577 176.300 0.118 0.000 1.066 22 M CA 0.620 56.042 55.300 0.205 0.000 1.123 22 M CB -0.529 32.148 32.600 0.128 0.000 1.388 22 M HN -0.092 nan 8.290 nan 0.000 0.425 23 S N 0.075 115.795 115.700 0.034 0.000 2.546 23 S HA 0.036 4.505 4.470 -0.001 0.000 0.290 23 S C 1.215 175.804 174.600 -0.020 0.000 1.290 23 S CA 0.384 58.568 58.200 -0.026 0.000 1.069 23 S CB 0.279 63.420 63.200 -0.098 0.000 0.846 23 S HN 0.579 nan 8.310 nan 0.000 0.495 24 T N 1.735 116.285 114.554 -0.007 0.000 3.145 24 T HA 0.187 4.536 4.350 -0.001 0.000 0.255 24 T C 0.472 175.159 174.700 -0.021 0.000 1.039 24 T CA -0.482 61.627 62.100 0.014 0.000 0.928 24 T CB -0.420 68.476 68.868 0.046 0.000 1.029 24 T HN 0.622 nan 8.240 nan 0.000 0.554 25 N N 1.689 120.337 118.700 -0.086 0.000 2.458 25 N HA 0.005 4.744 4.740 -0.001 0.000 0.270 25 N C 1.295 176.671 175.510 -0.224 0.000 1.102 25 N CA -0.050 52.902 53.050 -0.163 0.000 0.967 25 N CB 0.881 39.228 38.487 -0.233 0.000 1.078 25 N HN 0.592 nan 8.380 nan 0.000 0.471 26 H N 3.819 122.785 119.070 -0.172 0.000 2.390 26 H HA -0.122 4.433 4.556 -0.001 0.000 0.298 26 H C 1.187 176.326 175.328 -0.315 0.000 1.106 26 H CA 1.627 57.556 56.048 -0.198 0.000 1.297 26 H CB 0.134 29.775 29.762 -0.200 0.000 1.375 26 H HN 0.550 nan 8.280 nan 0.000 0.509 27 K N 0.206 119.982 120.400 -1.041 0.000 2.097 27 K HA -0.110 4.209 4.320 -0.001 0.000 0.205 27 K C 1.678 178.009 176.600 -0.448 0.000 1.050 27 K CA 1.352 57.013 56.287 -1.045 0.000 0.938 27 K CB 0.062 31.809 32.500 -1.256 0.000 0.718 27 K HN 0.481 nan 8.250 nan 0.000 0.442 28 D N 1.018 121.201 120.400 -0.362 0.000 2.097 28 D HA -0.103 4.536 4.640 -0.001 0.000 0.197 28 D C 2.043 178.190 176.300 -0.255 0.000 0.984 28 D CA 1.015 54.861 54.000 -0.256 0.000 0.826 28 D CB -0.106 40.545 40.800 -0.248 0.000 0.973 28 D HN 0.151 nan 8.370 nan 0.000 0.460 29 I N 1.608 122.044 120.570 -0.224 0.000 2.127 29 I HA -0.209 3.960 4.170 -0.001 0.000 0.241 29 I C 2.728 178.824 176.117 -0.034 0.000 1.075 29 I CA 1.455 62.639 61.300 -0.194 0.000 1.334 29 I CB -0.662 37.316 38.000 -0.036 0.000 1.040 29 I HN 0.011 nan 8.210 nan 0.000 0.405 30 G N 0.611 109.438 108.800 0.045 0.000 2.529 30 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.219 30 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.219 30 G C 1.674 176.632 174.900 0.097 0.000 1.177 30 G CA 1.369 46.545 45.100 0.128 0.000 0.773 30 G HN 0.285 nan 8.290 nan 0.000 0.573 31 V N 0.752 120.711 119.914 0.075 0.000 2.515 31 V HA -0.078 4.041 4.120 -0.001 0.000 0.250 31 V C 2.897 179.037 176.094 0.076 0.000 1.058 31 V CA 1.332 63.678 62.300 0.077 0.000 1.064 31 V CB -0.339 31.549 31.823 0.108 0.000 0.675 31 V HN 0.345 nan 8.190 nan 0.000 0.461 32 L N -1.558 119.579 121.223 -0.145 0.000 1.994 32 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 32 L C 2.489 179.363 176.870 0.007 0.000 1.071 32 L CA 1.982 56.622 54.840 -0.333 0.000 0.745 32 L CB -0.668 40.739 42.059 -1.086 0.000 0.892 32 L HN 0.270 nan 8.230 nan 0.000 0.431 33 Y N -0.114 120.223 120.300 0.061 0.000 2.114 33 Y HA -0.335 4.214 4.550 -0.001 0.000 0.282 33 Y C 2.555 178.530 175.900 0.124 0.000 1.165 33 Y CA 1.333 59.560 58.100 0.212 0.000 1.148 33 Y CB -0.196 38.306 38.460 0.069 0.000 0.972 33 Y HN 0.090 nan 8.280 nan 0.000 0.504 34 L N -1.733 119.580 121.223 0.149 0.000 1.994 34 L HA -0.272 4.067 4.340 -0.001 0.000 0.208 34 L C 2.179 179.062 176.870 0.022 0.000 1.071 34 L CA 1.444 56.258 54.840 -0.043 0.000 0.745 34 L CB -0.571 41.331 42.059 -0.261 0.000 0.892 34 L HN 0.205 nan 8.230 nan 0.000 0.431 35 F N -0.104 119.887 119.950 0.068 0.000 2.171 35 F HA -0.211 4.315 4.527 -0.001 0.000 0.300 35 F C 2.603 178.499 175.800 0.160 0.000 1.090 35 F CA 1.752 59.806 58.000 0.091 0.000 1.293 35 F CB -0.684 38.338 39.000 0.037 0.000 1.013 35 F HN 0.060 nan 8.300 nan 0.000 0.486 36 T N -0.993 113.807 114.554 0.411 0.000 2.732 36 T HA -0.074 4.275 4.350 -0.001 0.000 0.261 36 T C 2.409 177.344 174.700 0.392 0.000 1.040 36 T CA 1.237 63.571 62.100 0.390 0.000 1.145 36 T CB -1.192 67.957 68.868 0.468 0.000 0.866 36 T HN 0.376 nan 8.240 nan 0.000 0.427 37 G N 1.468 110.526 108.800 0.430 0.000 2.624 37 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.221 37 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.221 37 G C 1.730 176.783 174.900 0.255 0.000 1.169 37 G CA 1.279 46.570 45.100 0.319 0.000 0.771 37 G HN 0.591 nan 8.290 nan 0.000 0.598 38 G N 0.410 109.356 108.800 0.243 0.000 2.422 38 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.218 38 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.218 38 G C 1.758 176.859 174.900 0.336 0.000 1.146 38 G CA 1.127 46.407 45.100 0.299 0.000 0.769 38 G HN 0.513 nan 8.290 nan 0.000 0.547 39 L N 0.776 122.171 121.223 0.287 0.000 2.044 39 L HA 0.064 4.403 4.340 -0.001 0.000 0.205 39 L C 2.848 179.842 176.870 0.207 0.000 1.075 39 L CA 1.425 56.414 54.840 0.248 0.000 0.747 39 L CB -0.542 41.648 42.059 0.217 0.000 0.903 39 L HN 0.046 nan 8.230 nan 0.000 0.435 40 V N 0.715 120.744 119.914 0.192 0.000 2.287 40 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 40 V C 2.713 178.876 176.094 0.114 0.000 1.053 40 V CA 1.860 64.244 62.300 0.139 0.000 1.027 40 V CB -1.958 29.984 31.823 0.199 0.000 0.646 40 V HN 0.647 nan 8.190 nan 0.000 0.447 41 G N 0.173 109.070 108.800 0.161 0.000 2.469 41 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.219 41 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.219 41 G C 1.598 176.576 174.900 0.130 0.000 1.150 41 G CA 1.374 46.542 45.100 0.113 0.000 0.763 41 G HN 0.476 nan 8.290 nan 0.000 0.561 42 L N 0.646 122.059 121.223 0.317 0.000 2.083 42 L HA 0.054 4.393 4.340 -0.001 0.000 0.209 42 L C 2.626 179.633 176.870 0.228 0.000 1.083 42 L CA 1.363 56.462 54.840 0.432 0.000 0.752 42 L CB -0.309 42.041 42.059 0.485 0.000 0.899 42 L HN 0.315 nan 8.230 nan 0.000 0.433 43 I N -1.476 119.143 120.570 0.082 0.000 2.193 43 I HA -0.250 3.919 4.170 -0.001 0.000 0.240 43 I C 2.633 178.487 176.117 -0.439 0.000 1.084 43 I CA 1.379 62.615 61.300 -0.106 0.000 1.365 43 I CB -0.624 37.301 38.000 -0.125 0.000 1.064 43 I HN 0.290 nan 8.210 nan 0.000 0.410 44 S N 0.519 115.994 115.700 -0.375 0.000 2.383 44 S HA -0.149 4.321 4.470 -0.001 0.000 0.229 44 S C 2.055 176.631 174.600 -0.040 0.000 1.030 44 S CA 1.411 59.415 58.200 -0.326 0.000 1.002 44 S CB -0.218 62.941 63.200 -0.068 0.000 0.829 44 S HN 0.232 nan 8.310 nan 0.000 0.467 45 V N 1.806 121.724 119.914 0.007 0.000 2.548 45 V HA -0.055 4.064 4.120 -0.001 0.000 0.249 45 V C 2.756 178.843 176.094 -0.010 0.000 1.055 45 V CA 1.476 63.801 62.300 0.042 0.000 1.065 45 V CB -1.230 30.616 31.823 0.038 0.000 0.681 45 V HN 0.590 nan 8.190 nan 0.000 0.462 46 A N 0.044 122.880 122.820 0.026 0.000 1.908 46 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 46 A C 2.037 179.696 177.584 0.124 0.000 1.181 46 A CA 1.720 53.738 52.037 -0.032 0.000 0.627 46 A CB -0.663 18.421 19.000 0.140 0.000 0.818 46 A HN 0.431 nan 8.150 nan 0.000 0.445 47 F N 1.233 121.166 119.950 -0.027 0.000 2.091 47 F HA -0.213 4.313 4.527 -0.001 0.000 0.299 47 F C 3.032 178.748 175.800 -0.139 0.000 1.103 47 F CA 1.632 59.607 58.000 -0.041 0.000 1.228 47 F CB -1.661 37.332 39.000 -0.012 0.000 0.984 47 F HN 0.449 nan 8.300 nan 0.000 0.477 48 T N -2.085 112.449 114.554 -0.033 0.000 2.833 48 T HA -0.100 4.249 4.350 -0.001 0.000 0.269 48 T C 2.073 176.700 174.700 -0.122 0.000 1.054 48 T CA 1.370 63.347 62.100 -0.206 0.000 1.135 48 T CB -1.030 67.661 68.868 -0.295 0.000 0.869 48 T HN 0.075 nan 8.240 nan 0.000 0.466 49 V N 0.285 120.130 119.914 -0.114 0.000 2.358 49 V HA -0.090 4.029 4.120 -0.001 0.000 0.246 49 V C 2.325 178.451 176.094 0.054 0.000 1.047 49 V CA 1.699 63.962 62.300 -0.061 0.000 1.035 49 V CB -0.960 30.651 31.823 -0.354 0.000 0.658 49 V HN 0.503 nan 8.190 nan 0.000 0.452 50 Y N 0.371 120.587 120.300 -0.140 0.000 2.145 50 Y HA -0.229 4.320 4.550 -0.001 0.000 0.286 50 Y C 2.477 178.313 175.900 -0.108 0.000 1.145 50 Y CA 1.627 59.624 58.100 -0.171 0.000 1.148 50 Y CB -0.487 37.868 38.460 -0.175 0.000 0.981 50 Y HN 0.178 nan 8.280 nan 0.000 0.507 51 M N -0.427 119.087 119.600 -0.143 0.000 2.082 51 M HA -0.298 4.181 4.480 -0.001 0.000 0.258 51 M C 2.108 178.465 176.300 0.095 0.000 1.069 51 M CA 1.913 57.141 55.300 -0.120 0.000 1.102 51 M CB -0.306 32.129 32.600 -0.276 0.000 1.336 51 M HN 0.056 nan 8.290 nan 0.000 0.404 52 R N -0.372 120.120 120.500 -0.013 0.000 2.193 52 R HA 0.047 4.386 4.340 -0.001 0.000 0.213 52 R C 1.969 178.270 176.300 0.002 0.000 1.055 52 R CA 1.002 57.063 56.100 -0.065 0.000 0.995 52 R CB -0.419 29.710 30.300 -0.285 0.000 0.893 52 R HN 0.497 nan 8.270 nan 0.000 0.459 53 M N 0.293 119.916 119.600 0.039 0.000 2.086 53 M HA -0.166 4.313 4.480 -0.001 0.000 0.261 53 M C 2.100 178.325 176.300 -0.126 0.000 1.067 53 M CA 1.618 56.861 55.300 -0.095 0.000 1.116 53 M CB -0.194 32.052 32.600 -0.590 0.000 1.348 53 M HN -0.106 nan 8.290 nan 0.000 0.407 54 E N 0.743 120.857 120.200 -0.143 0.000 2.110 54 E HA -0.100 4.249 4.350 -0.001 0.000 0.193 54 E C 1.654 178.346 176.600 0.154 0.000 0.988 54 E CA 1.247 57.724 56.400 0.128 0.000 0.804 54 E CB -0.242 29.531 29.700 0.122 0.000 0.745 54 E HN 0.473 nan 8.360 nan 0.000 0.458 55 L N 0.089 121.409 121.223 0.162 0.000 2.554 55 L HA 0.118 4.458 4.340 -0.001 0.000 0.226 55 L C 2.310 179.337 176.870 0.261 0.000 1.137 55 L CA 0.187 55.160 54.840 0.222 0.000 0.863 55 L CB -0.260 41.883 42.059 0.140 0.000 0.985 55 L HN 0.274 nan 8.230 nan 0.000 0.451 56 M N 0.194 119.915 119.600 0.202 0.000 2.202 56 M HA -0.060 4.419 4.480 -0.001 0.000 0.262 56 M C 0.642 177.160 176.300 0.362 0.000 1.063 56 M CA 1.294 56.739 55.300 0.242 0.000 1.097 56 M CB 0.189 32.944 32.600 0.258 0.000 1.382 56 M HN 0.208 nan 8.290 nan 0.000 0.413 57 A N 0.644 123.641 122.820 0.294 0.000 2.486 57 A HA 0.724 5.044 4.320 -0.001 0.000 0.300 57 A C -2.738 174.820 177.584 -0.044 0.000 1.048 57 A CA -1.484 50.669 52.037 0.192 0.000 0.696 57 A CB 0.901 19.982 19.000 0.134 0.000 1.278 57 A HN 0.164 nan 8.150 nan 0.000 0.405 58 P HA 0.443 nan 4.420 nan 0.000 0.272 58 P C 0.484 177.599 177.300 -0.308 0.000 1.230 58 P CA 1.336 64.071 63.100 -0.609 0.000 0.788 58 P CB 0.738 32.196 31.700 -0.402 0.000 0.949 59 G N -0.243 108.370 108.800 -0.311 0.000 2.767 59 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.686 59 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.686 59 G C -0.924 173.878 174.900 -0.162 0.000 1.213 59 G CA -0.713 44.274 45.100 -0.188 0.000 0.803 59 G HN 0.440 nan 8.290 nan 0.000 0.603 60 V N 2.596 122.434 119.914 -0.126 0.000 2.432 60 V HA 0.471 4.590 4.120 -0.001 0.000 0.275 60 V C 0.899 176.944 176.094 -0.081 0.000 1.043 60 V CA 0.429 62.681 62.300 -0.080 0.000 0.925 60 V CB 1.445 33.227 31.823 -0.068 0.000 0.985 60 V HN 0.870 nan 8.190 nan 0.000 0.466 61 Q N 2.432 122.181 119.800 -0.085 0.000 2.288 61 Q HA 0.337 4.676 4.340 -0.001 0.000 0.256 61 Q C 0.846 176.611 176.000 -0.391 0.000 0.835 61 Q CA 0.469 56.097 55.803 -0.291 0.000 0.958 61 Q CB 0.489 28.936 28.738 -0.485 0.000 1.125 61 Q HN 0.794 nan 8.270 nan 0.000 0.513 62 F N -0.689 119.308 119.950 0.079 0.000 2.537 62 F HA 0.285 4.811 4.527 -0.001 0.000 0.277 62 F C 0.926 176.882 175.800 0.259 0.000 1.013 62 F CA 0.152 58.265 58.000 0.189 0.000 1.332 62 F CB 0.318 39.386 39.000 0.113 0.000 1.108 62 F HN -0.116 nan 8.300 nan 0.000 0.679 63 M N 1.787 121.580 119.600 0.321 0.000 3.690 63 M HA 0.159 4.638 4.480 -0.001 0.000 0.209 63 M C -0.961 175.422 176.300 0.138 0.000 1.403 63 M CA -0.199 55.261 55.300 0.266 0.000 1.621 63 M CB -0.786 31.942 32.600 0.212 0.000 1.056 63 M HN 0.083 nan 8.290 nan 0.000 0.593 64 c N 0.588 119.213 118.600 0.042 0.000 2.452 64 c HA 0.419 4.988 4.570 -0.001 0.000 0.379 64 c C 2.000 176.006 174.090 -0.139 0.000 1.275 64 c CA -0.586 55.633 56.329 -0.184 0.000 2.056 64 c CB 0.643 42.834 42.510 -0.532 0.000 2.506 64 c HN 0.867 nan 8.230 nan 0.000 0.560 65 A N 1.752 124.528 122.820 -0.074 0.000 1.972 65 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 65 A C 1.891 179.454 177.584 -0.036 0.000 1.169 65 A CA 1.632 53.656 52.037 -0.022 0.000 0.635 65 A CB -0.405 18.589 19.000 -0.011 0.000 0.810 65 A HN 0.926 nan 8.150 nan 0.000 0.446 66 E N -0.242 119.887 120.200 -0.118 0.000 2.209 66 E HA -0.186 4.163 4.350 -0.001 0.000 0.196 66 E C 1.584 178.202 176.600 0.030 0.000 0.993 66 E CA 1.340 57.696 56.400 -0.074 0.000 0.819 66 E CB -0.352 29.282 29.700 -0.110 0.000 0.745 66 E HN 0.727 nan 8.360 nan 0.000 0.477 67 H N -0.496 118.625 119.070 0.085 0.000 2.546 67 H HA 0.039 4.594 4.556 -0.001 0.000 0.277 67 H C 1.659 177.046 175.328 0.098 0.000 1.004 67 H CA 0.606 56.715 56.048 0.101 0.000 1.231 67 H CB -0.116 29.720 29.762 0.123 0.000 1.382 67 H HN 0.204 nan 8.280 nan 0.000 0.580 68 L N 0.239 121.565 121.223 0.173 0.000 2.395 68 L HA -0.047 4.293 4.340 -0.001 0.000 0.218 68 L C 2.116 179.049 176.870 0.105 0.000 1.130 68 L CA 0.453 55.370 54.840 0.129 0.000 0.826 68 L CB 0.038 42.152 42.059 0.093 0.000 0.941 68 L HN 0.090 nan 8.230 nan 0.000 0.451 69 E N 0.172 120.432 120.200 0.100 0.000 2.106 69 E HA -0.037 4.313 4.350 -0.001 0.000 0.192 69 E C 1.062 177.716 176.600 0.091 0.000 0.984 69 E CA 0.433 56.882 56.400 0.082 0.000 0.806 69 E CB -0.024 29.718 29.700 0.071 0.000 0.750 69 E HN 0.384 nan 8.360 nan 0.000 0.458 70 S N 0.187 115.958 115.700 0.118 0.000 2.626 70 S HA 0.373 4.842 4.470 -0.001 0.000 0.257 70 S C 0.710 175.377 174.600 0.112 0.000 1.288 70 S CA -0.258 58.011 58.200 0.116 0.000 0.980 70 S CB 0.892 64.176 63.200 0.139 0.000 0.975 70 S HN 0.263 nan 8.310 nan 0.000 0.577 71 G N -0.909 107.955 108.800 0.106 0.000 2.621 71 G HA2 0.468 4.427 3.960 -0.001 0.000 0.271 71 G HA3 0.468 4.427 3.960 -0.001 0.000 0.271 71 G C 1.188 176.167 174.900 0.131 0.000 1.236 71 G CA -0.227 44.935 45.100 0.103 0.000 0.958 71 G HN 0.757 nan 8.290 nan 0.000 0.512 72 L N -0.714 120.583 121.223 0.123 0.000 1.976 72 L HA 0.007 4.346 4.340 -0.001 0.000 0.209 72 L C 3.132 180.100 176.870 0.163 0.000 1.071 72 L CA 2.540 57.470 54.840 0.149 0.000 0.746 72 L CB -1.615 40.519 42.059 0.124 0.000 0.890 72 L HN 0.462 nan 8.230 nan 0.000 0.432 73 V N 0.521 120.508 119.914 0.122 0.000 2.427 73 V HA -0.182 3.937 4.120 -0.001 0.000 0.248 73 V C 3.242 179.529 176.094 0.321 0.000 1.051 73 V CA 2.410 64.806 62.300 0.161 0.000 1.048 73 V CB -1.207 30.682 31.823 0.110 0.000 0.666 73 V HN 0.874 nan 8.190 nan 0.000 0.456 74 K N 0.734 121.273 120.400 0.232 0.000 1.984 74 K HA -0.073 4.246 4.320 -0.001 0.000 0.209 74 K C 2.345 179.096 176.600 0.251 0.000 1.046 74 K CA 1.662 58.085 56.287 0.228 0.000 0.934 74 K CB -1.733 30.849 32.500 0.137 0.000 0.717 74 K HN 0.546 nan 8.250 nan 0.000 0.438 75 G N -0.139 108.780 108.800 0.198 0.000 2.422 75 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.218 75 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.218 75 G C 1.553 176.504 174.900 0.086 0.000 1.146 75 G CA 1.003 46.188 45.100 0.142 0.000 0.769 75 G HN 0.547 nan 8.290 nan 0.000 0.547 76 F N 1.127 121.067 119.950 -0.017 0.000 2.063 76 F HA -0.230 4.296 4.527 -0.001 0.000 0.297 76 F C 2.192 177.835 175.800 -0.261 0.000 1.099 76 F CA 2.032 59.918 58.000 -0.190 0.000 1.220 76 F CB -0.310 38.505 39.000 -0.309 0.000 0.972 76 F HN 0.149 nan 8.300 nan 0.000 0.487 77 F N -0.061 119.953 119.950 0.108 0.000 2.367 77 F HA -0.007 4.519 4.527 -0.001 0.000 0.298 77 F C 2.846 178.616 175.800 -0.051 0.000 1.094 77 F CA 1.289 59.299 58.000 0.017 0.000 1.409 77 F CB -1.447 37.638 39.000 0.141 0.000 1.064 77 F HN 0.142 nan 8.300 nan 0.000 0.528 78 Q N 0.374 120.206 119.800 0.054 0.000 2.119 78 Q HA -0.154 4.185 4.340 -0.001 0.000 0.201 78 Q C 2.187 178.005 176.000 -0.303 0.000 0.972 78 Q CA 1.741 57.485 55.803 -0.098 0.000 0.847 78 Q CB -1.488 27.152 28.738 -0.163 0.000 0.903 78 Q HN 0.488 nan 8.270 nan 0.000 0.433 79 S N -0.374 115.052 115.700 -0.457 0.000 2.515 79 S HA 0.082 4.551 4.470 -0.001 0.000 0.231 79 S C 1.744 176.465 174.600 0.202 0.000 0.987 79 S CA 0.958 59.044 58.200 -0.190 0.000 0.936 79 S CB -0.188 62.984 63.200 -0.047 0.000 0.766 79 S HN 0.585 nan 8.310 nan 0.000 0.528 80 L N -0.391 120.866 121.223 0.057 0.000 2.558 80 L HA 0.324 4.663 4.340 -0.001 0.000 0.225 80 L C 0.876 178.063 176.870 0.529 0.000 1.128 80 L CA -0.102 54.842 54.840 0.174 0.000 0.868 80 L CB 0.006 42.023 42.059 -0.071 0.000 1.006 80 L HN 0.481 nan 8.230 nan 0.000 0.454 81 W N 2.097 123.563 121.300 0.277 0.000 2.606 81 W HA 0.329 4.988 4.660 -0.001 0.000 0.332 81 W C -2.460 174.104 176.519 0.076 0.000 1.052 81 W CA -1.944 55.539 57.345 0.230 0.000 1.223 81 W CB 2.204 31.733 29.460 0.114 0.000 1.383 81 W HN -0.253 nan 8.180 nan 0.000 0.524 82 P HA 0.163 nan 4.420 nan 0.000 0.279 82 P C -0.785 176.381 177.300 -0.223 0.000 1.239 82 P CA 0.057 62.744 63.100 -0.689 0.000 0.789 82 P CB 1.409 32.681 31.700 -0.714 0.000 0.933 83 S N 0.583 116.154 115.700 -0.216 0.000 2.664 83 S HA 0.697 5.166 4.470 -0.001 0.000 0.304 83 S C -0.134 174.401 174.600 -0.108 0.000 1.099 83 S CA -0.626 57.533 58.200 -0.067 0.000 1.003 83 S CB 1.409 64.602 63.200 -0.012 0.000 1.092 83 S HN 0.592 nan 8.310 nan 0.000 0.525 84 A N 1.106 123.893 122.820 -0.056 0.000 2.445 84 A HA 0.360 4.679 4.320 -0.001 0.000 0.242 84 A C 1.363 178.907 177.584 -0.066 0.000 1.075 84 A CA -0.470 51.532 52.037 -0.058 0.000 0.777 84 A CB -0.156 18.826 19.000 -0.031 0.000 1.013 84 A HN 0.687 nan 8.150 nan 0.000 0.493 85 V N 2.091 121.963 119.914 -0.070 0.000 2.278 85 V HA -0.281 3.839 4.120 -0.001 0.000 0.251 85 V C 2.540 178.601 176.094 -0.055 0.000 1.062 85 V CA 2.501 64.759 62.300 -0.069 0.000 1.038 85 V CB -0.984 30.798 31.823 -0.068 0.000 0.646 85 V HN 1.002 nan 8.190 nan 0.000 0.447 86 E N 0.365 120.540 120.200 -0.043 0.000 2.267 86 E HA -0.210 4.139 4.350 -0.001 0.000 0.197 86 E C 1.202 177.784 176.600 -0.031 0.000 0.998 86 E CA 1.198 57.578 56.400 -0.033 0.000 0.830 86 E CB -0.598 29.087 29.700 -0.025 0.000 0.751 86 E HN 0.636 nan 8.360 nan 0.000 0.491 87 N N -0.150 118.530 118.700 -0.034 0.000 2.203 87 N HA 0.052 4.791 4.740 -0.001 0.000 0.207 87 N C -0.662 174.816 175.510 -0.053 0.000 1.130 87 N CA -0.003 53.029 53.050 -0.030 0.000 0.861 87 N CB 0.596 39.077 38.487 -0.010 0.000 1.005 87 N HN 0.084 nan 8.380 nan 0.000 0.507 88 c N 1.562 120.121 118.600 -0.067 0.000 2.356 88 c HA 0.394 4.963 4.570 -0.001 0.000 0.324 88 c C -0.020 174.023 174.090 -0.079 0.000 1.167 88 c CA -0.357 55.915 56.329 -0.095 0.000 1.420 88 c CB -0.793 41.658 42.510 -0.098 0.000 2.036 88 c HN 0.157 nan 8.230 nan 0.000 0.435 89 T N 8.705 123.212 114.554 -0.078 0.000 2.727 89 T HA 0.267 4.616 4.350 -0.001 0.000 0.295 89 T C -2.468 172.204 174.700 -0.046 0.000 0.915 89 T CA -0.326 61.742 62.100 -0.055 0.000 1.066 89 T CB 0.673 69.516 68.868 -0.043 0.000 0.891 89 T HN 0.562 nan 8.240 nan 0.000 0.516 90 P HA 0.097 nan 4.420 nan 0.000 0.264 90 P C -0.207 177.093 177.300 0.001 0.000 1.193 90 P CA -0.187 62.896 63.100 -0.028 0.000 0.763 90 P CB 0.325 31.995 31.700 -0.050 0.000 0.810 91 N N 2.262 120.984 118.700 0.037 0.000 2.800 91 N HA 0.210 4.949 4.740 -0.001 0.000 0.240 91 N C 1.407 176.990 175.510 0.121 0.000 1.096 91 N CA -0.324 52.774 53.050 0.079 0.000 0.877 91 N CB -0.081 38.467 38.487 0.101 0.000 1.138 91 N HN 0.361 nan 8.380 nan 0.000 0.509 92 G N 0.713 109.572 108.800 0.098 0.000 2.462 92 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.220 92 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.220 92 G C 1.247 176.263 174.900 0.194 0.000 1.121 92 G CA 0.922 46.096 45.100 0.123 0.000 0.758 92 G HN 0.721 nan 8.290 nan 0.000 0.559 93 H N -0.228 118.896 119.070 0.091 0.000 2.389 93 H HA 0.025 4.580 4.556 -0.001 0.000 0.299 93 H C 2.297 177.675 175.328 0.083 0.000 1.081 93 H CA 1.302 57.396 56.048 0.077 0.000 1.345 93 H CB -0.128 29.660 29.762 0.043 0.000 1.393 93 H HN 0.221 nan 8.280 nan 0.000 0.520 94 L N 0.081 121.364 121.223 0.100 0.000 2.046 94 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 94 L C 2.369 179.241 176.870 0.003 0.000 1.077 94 L CA 1.898 56.760 54.840 0.036 0.000 0.747 94 L CB -1.121 41.022 42.059 0.140 0.000 0.896 94 L HN 0.554 nan 8.230 nan 0.000 0.432 95 W N 0.657 121.926 121.300 -0.050 0.000 2.333 95 W HA -0.295 4.365 4.660 -0.001 0.000 0.316 95 W C 2.108 178.597 176.519 -0.050 0.000 1.215 95 W CA 1.984 59.303 57.345 -0.043 0.000 1.278 95 W CB -0.405 29.050 29.460 -0.008 0.000 1.154 95 W HN 0.350 nan 8.180 nan 0.000 0.486 96 N N 0.511 119.253 118.700 0.071 0.000 2.223 96 N HA -0.156 4.583 4.740 -0.001 0.000 0.185 96 N C 1.713 177.116 175.510 -0.178 0.000 1.016 96 N CA 1.789 54.829 53.050 -0.016 0.000 0.863 96 N CB -0.945 37.565 38.487 0.038 0.000 0.983 96 N HN 0.088 nan 8.380 nan 0.000 0.429 97 V N 1.477 121.214 119.914 -0.294 0.000 2.323 97 V HA -0.160 3.960 4.120 -0.001 0.000 0.244 97 V C 2.367 178.303 176.094 -0.264 0.000 1.041 97 V CA 1.162 63.284 62.300 -0.296 0.000 1.025 97 V CB -0.352 31.248 31.823 -0.373 0.000 0.656 97 V HN 0.194 nan 8.190 nan 0.000 0.451 98 M N -0.746 118.641 119.600 -0.356 0.000 2.082 98 M HA -0.188 4.291 4.480 -0.001 0.000 0.258 98 M C 2.222 178.371 176.300 -0.252 0.000 1.069 98 M CA 1.983 57.019 55.300 -0.441 0.000 1.102 98 M CB -1.311 30.985 32.600 -0.508 0.000 1.336 98 M HN 0.257 nan 8.290 nan 0.000 0.404 99 I N 0.438 120.790 120.570 -0.363 0.000 2.163 99 I HA -0.245 3.924 4.170 -0.001 0.000 0.243 99 I C 2.416 178.567 176.117 0.056 0.000 1.085 99 I CA 1.620 62.813 61.300 -0.178 0.000 1.347 99 I CB -0.805 37.028 38.000 -0.278 0.000 1.044 99 I HN 0.319 nan 8.210 nan 0.000 0.408 100 T N -0.302 114.267 114.554 0.026 0.000 2.777 100 T HA -0.087 4.262 4.350 -0.001 0.000 0.266 100 T C 1.930 176.727 174.700 0.162 0.000 1.040 100 T CA 1.354 63.519 62.100 0.107 0.000 1.141 100 T CB -0.878 68.019 68.868 0.049 0.000 0.868 100 T HN 0.526 nan 8.240 nan 0.000 0.444 101 G N 0.673 109.567 108.800 0.156 0.000 2.418 101 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.217 101 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.217 101 G C 1.293 176.424 174.900 0.385 0.000 1.158 101 G CA 1.276 46.557 45.100 0.301 0.000 0.771 101 G HN 0.608 nan 8.290 nan 0.000 0.545 102 H N 0.841 120.112 119.070 0.335 0.000 2.289 102 H HA -0.041 4.514 4.556 -0.001 0.000 0.296 102 H C 2.668 178.033 175.328 0.063 0.000 1.091 102 H CA 2.421 58.593 56.048 0.208 0.000 1.274 102 H CB -0.753 29.118 29.762 0.183 0.000 1.364 102 H HN 0.209 nan 8.280 nan 0.000 0.490 103 G N 0.488 109.192 108.800 -0.161 0.000 2.421 103 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.216 103 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.216 103 G C 1.932 176.695 174.900 -0.229 0.000 1.171 103 G CA 1.088 45.961 45.100 -0.379 0.000 0.775 103 G HN 0.492 nan 8.290 nan 0.000 0.543 104 I N 0.405 121.055 120.570 0.134 0.000 2.179 104 I HA -0.151 4.018 4.170 -0.001 0.000 0.242 104 I C 2.773 179.101 176.117 0.351 0.000 1.088 104 I CA 0.678 62.192 61.300 0.357 0.000 1.357 104 I CB -0.240 38.004 38.000 0.406 0.000 1.051 104 I HN 0.138 nan 8.210 nan 0.000 0.409 105 L N -0.470 120.920 121.223 0.277 0.000 1.989 105 L HA -0.268 4.071 4.340 -0.001 0.000 0.211 105 L C 2.767 179.708 176.870 0.119 0.000 1.071 105 L CA 1.267 56.291 54.840 0.306 0.000 0.749 105 L CB -0.529 41.609 42.059 0.132 0.000 0.890 105 L HN 0.286 nan 8.230 nan 0.000 0.431 106 M N -1.044 118.482 119.600 -0.124 0.000 2.065 106 M HA -0.211 4.268 4.480 -0.001 0.000 0.259 106 M C 2.285 178.389 176.300 -0.327 0.000 1.069 106 M CA 1.881 57.029 55.300 -0.253 0.000 1.110 106 M CB -0.905 31.427 32.600 -0.447 0.000 1.328 106 M HN 0.240 nan 8.290 nan 0.000 0.405 107 M N -1.733 117.567 119.600 -0.500 0.000 2.394 107 M HA -0.046 4.433 4.480 -0.001 0.000 0.264 107 M C 1.551 177.378 176.300 -0.789 0.000 1.073 107 M CA 1.283 56.130 55.300 -0.756 0.000 1.111 107 M CB -0.914 30.967 32.600 -1.198 0.000 1.401 107 M HN 0.139 nan 8.290 nan 0.000 0.448 108 F N -2.470 117.275 119.950 -0.342 0.000 2.747 108 F HA 0.170 4.696 4.527 -0.001 0.000 0.305 108 F C 1.052 176.444 175.800 -0.680 0.000 1.065 108 F CA 0.092 57.719 58.000 -0.622 0.000 1.230 108 F CB 0.216 38.593 39.000 -1.037 0.000 1.027 108 F HN -0.115 nan 8.300 nan 0.000 0.607 109 F N -1.598 118.507 119.950 0.259 0.000 2.772 109 F HA 0.338 4.864 4.527 -0.001 0.000 0.316 109 F C 0.936 176.901 175.800 0.275 0.000 1.114 109 F CA -0.189 58.037 58.000 0.376 0.000 1.191 109 F CB -0.135 39.073 39.000 0.347 0.000 1.065 109 F HN -0.285 nan 8.300 nan 0.000 0.534 110 V N -1.181 118.846 119.914 0.188 0.000 3.444 110 V HA -0.010 4.110 4.120 -0.001 0.000 0.210 110 V C 2.012 178.111 176.094 0.007 0.000 1.217 110 V CA 0.876 63.243 62.300 0.111 0.000 1.302 110 V CB -0.190 31.660 31.823 0.045 0.000 1.341 110 V HN -0.024 nan 8.190 nan 0.000 0.522 111 V N -0.704 119.162 119.914 -0.079 0.000 2.379 111 V HA -0.072 4.047 4.120 -0.001 0.000 0.245 111 V C 2.156 178.200 176.094 -0.084 0.000 1.044 111 V CA 1.833 64.075 62.300 -0.097 0.000 1.036 111 V CB -0.759 30.975 31.823 -0.148 0.000 0.664 111 V HN 0.457 nan 8.190 nan 0.000 0.453 112 I N 0.666 121.159 120.570 -0.128 0.000 2.202 112 I HA -0.060 4.109 4.170 -0.001 0.000 0.242 112 I C 0.029 176.086 176.117 -0.100 0.000 1.091 112 I CA 1.492 62.722 61.300 -0.117 0.000 1.368 112 I CB -1.585 36.301 38.000 -0.190 0.000 1.058 112 I HN 0.333 nan 8.210 nan 0.000 0.410 113 P HA -0.176 nan 4.420 nan 0.000 0.216 113 P C 1.415 178.622 177.300 -0.156 0.000 1.150 113 P CA 1.783 64.706 63.100 -0.294 0.000 0.837 113 P CB 0.002 31.412 31.700 -0.483 0.000 0.786 114 A N -0.967 121.820 122.820 -0.054 0.000 1.854 114 A HA -0.107 4.213 4.320 -0.001 0.000 0.214 114 A C 2.208 179.775 177.584 -0.028 0.000 1.192 114 A CA 1.310 53.318 52.037 -0.048 0.000 0.611 114 A CB -1.503 17.483 19.000 -0.023 0.000 0.832 114 A HN 0.092 nan 8.150 nan 0.000 0.442 115 L N -2.575 118.706 121.223 0.096 0.000 2.044 115 L HA -0.038 4.301 4.340 -0.001 0.000 0.205 115 L C 2.447 179.501 176.870 0.306 0.000 1.075 115 L CA 1.442 56.457 54.840 0.292 0.000 0.747 115 L CB -0.410 41.794 42.059 0.241 0.000 0.903 115 L HN 0.485 nan 8.230 nan 0.000 0.435 116 F N 0.208 120.151 119.950 -0.011 0.000 2.123 116 F HA 0.061 4.588 4.527 -0.001 0.000 0.289 116 F C 2.271 177.961 175.800 -0.184 0.000 1.099 116 F CA 1.392 59.349 58.000 -0.071 0.000 1.234 116 F CB -0.680 38.241 39.000 -0.132 0.000 1.034 116 F HN -0.056 nan 8.300 nan 0.000 0.479 117 G N -0.498 108.114 108.800 -0.314 0.000 2.422 117 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.218 117 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.218 117 G C 1.730 176.360 174.900 -0.449 0.000 1.146 117 G CA 0.779 45.312 45.100 -0.946 0.000 0.769 117 G HN 0.626 nan 8.290 nan 0.000 0.547 118 G N 0.391 109.068 108.800 -0.204 0.000 2.624 118 G HA2 0.094 4.053 3.960 -0.001 0.000 0.216 118 G HA3 0.094 4.053 3.960 -0.001 0.000 0.216 118 G C 1.433 176.291 174.900 -0.068 0.000 1.274 118 G CA 0.485 45.510 45.100 -0.125 0.000 0.856 118 G HN 0.214 nan 8.290 nan 0.000 0.555 119 F N 1.929 121.991 119.950 0.186 0.000 2.259 119 F HA 0.135 4.661 4.527 -0.001 0.000 0.298 119 F C 2.854 178.883 175.800 0.382 0.000 1.088 119 F CA 0.567 58.732 58.000 0.275 0.000 1.358 119 F CB -0.752 38.447 39.000 0.332 0.000 1.040 119 F HN 0.209 nan 8.300 nan 0.000 0.505 120 G N -0.145 108.920 108.800 0.442 0.000 2.402 120 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.216 120 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.216 120 G C 1.755 176.648 174.900 -0.011 0.000 1.162 120 G CA 0.792 45.973 45.100 0.135 0.000 0.777 120 G HN 0.228 nan 8.290 nan 0.000 0.539 121 N N -0.565 118.097 118.700 -0.062 0.000 2.171 121 N HA -0.074 4.665 4.740 -0.001 0.000 0.184 121 N C 1.848 177.377 175.510 0.032 0.000 1.021 121 N CA 0.747 53.770 53.050 -0.044 0.000 0.854 121 N CB -0.372 38.115 38.487 0.001 0.000 0.994 121 N HN 0.373 nan 8.380 nan 0.000 0.426 122 Y N 0.047 120.293 120.300 -0.090 0.000 2.145 122 Y HA -0.127 4.422 4.550 -0.001 0.000 0.286 122 Y C 1.664 177.256 175.900 -0.513 0.000 1.145 122 Y CA 1.661 59.579 58.100 -0.304 0.000 1.148 122 Y CB -0.285 37.840 38.460 -0.559 0.000 0.981 122 Y HN -0.062 nan 8.280 nan 0.000 0.507 123 F N -2.326 117.618 119.950 -0.010 0.000 2.559 123 F HA -0.019 4.507 4.527 -0.001 0.000 0.286 123 F C 2.313 177.867 175.800 -0.410 0.000 1.108 123 F CA 0.422 58.196 58.000 -0.377 0.000 1.436 123 F CB -0.478 37.952 39.000 -0.950 0.000 1.130 123 F HN -0.013 nan 8.300 nan 0.000 0.584 124 M N 1.439 121.080 119.600 0.068 0.000 2.080 124 M HA -0.114 4.365 4.480 -0.001 0.000 0.260 124 M C -1.023 175.260 176.300 -0.027 0.000 1.068 124 M CA 2.258 57.611 55.300 0.088 0.000 1.109 124 M CB -1.667 30.968 32.600 0.059 0.000 1.342 124 M HN -0.080 nan 8.290 nan 0.000 0.405 125 P HA -0.120 nan 4.420 nan 0.000 0.215 125 P C 1.855 179.039 177.300 -0.193 0.000 1.157 125 P CA 1.287 64.195 63.100 -0.321 0.000 0.868 125 P CB -0.279 30.933 31.700 -0.813 0.000 0.788 126 L N -1.613 119.508 121.223 -0.170 0.000 2.012 126 L HA -0.239 4.100 4.340 -0.001 0.000 0.210 126 L C 2.598 179.554 176.870 0.143 0.000 1.073 126 L CA 1.706 56.533 54.840 -0.023 0.000 0.748 126 L CB -1.504 40.544 42.059 -0.018 0.000 0.891 126 L HN 0.121 nan 8.230 nan 0.000 0.431 127 H N 0.281 119.439 119.070 0.146 0.000 2.422 127 H HA -0.118 4.437 4.556 -0.001 0.000 0.298 127 H C 2.034 177.422 175.328 0.100 0.000 1.098 127 H CA 1.645 57.816 56.048 0.205 0.000 1.315 127 H CB -0.323 29.650 29.762 0.351 0.000 1.382 127 H HN 0.545 nan 8.280 nan 0.000 0.523 128 I N -3.729 116.921 120.570 0.134 0.000 3.883 128 I HA 0.349 4.518 4.170 -0.001 0.000 0.326 128 I C 1.211 177.297 176.117 -0.051 0.000 1.283 128 I CA 0.474 61.757 61.300 -0.027 0.000 1.161 128 I CB 0.203 38.099 38.000 -0.174 0.000 1.012 128 I HN 0.133 nan 8.210 nan 0.000 0.421 129 G N 1.982 110.777 108.800 -0.009 0.000 2.273 129 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.280 129 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.280 129 G C 0.248 175.110 174.900 -0.063 0.000 1.047 129 G CA 0.147 45.232 45.100 -0.024 0.000 0.869 129 G HN 0.948 nan 8.290 nan 0.000 0.502 130 A N 0.436 123.199 122.820 -0.095 0.000 2.289 130 A HA 0.798 5.117 4.320 -0.001 0.000 0.298 130 A C 0.067 177.590 177.584 -0.102 0.000 1.208 130 A CA -0.793 51.174 52.037 -0.116 0.000 0.845 130 A CB 0.957 19.863 19.000 -0.157 0.000 1.125 130 A HN 0.167 nan 8.150 nan 0.000 0.517 131 P HA 0.022 nan 4.420 nan 0.000 0.217 131 P C 0.485 177.770 177.300 -0.025 0.000 1.150 131 P CA 1.942 65.015 63.100 -0.044 0.000 0.832 131 P CB 0.271 31.945 31.700 -0.044 0.000 0.787 132 A N -1.605 121.182 122.820 -0.056 0.000 2.568 132 A HA 0.702 5.021 4.320 -0.001 0.000 0.291 132 A C -0.621 176.902 177.584 -0.101 0.000 1.159 132 A CA -0.755 51.265 52.037 -0.029 0.000 0.679 132 A CB 0.774 19.761 19.000 -0.021 0.000 1.285 132 A HN -0.144 nan 8.150 nan 0.000 0.428 133 M N 0.696 120.250 119.600 -0.076 0.000 2.359 133 M HA 0.414 4.893 4.480 -0.001 0.000 0.322 133 M C 1.498 177.714 176.300 -0.140 0.000 1.166 133 M CA -0.032 55.206 55.300 -0.105 0.000 1.067 133 M CB 1.568 34.136 32.600 -0.054 0.000 1.523 133 M HN 0.960 nan 8.290 nan 0.000 0.467 134 A N 1.796 124.478 122.820 -0.229 0.000 1.917 134 A HA -0.102 4.217 4.320 -0.001 0.000 0.219 134 A C 0.568 177.719 177.584 -0.721 0.000 1.182 134 A CA 1.796 53.502 52.037 -0.551 0.000 0.633 134 A CB -0.327 18.221 19.000 -0.754 0.000 0.819 134 A HN 0.661 nan 8.150 nan 0.000 0.448 135 F N -1.625 118.338 119.950 0.021 0.000 2.531 135 F HA 0.366 4.893 4.527 -0.001 0.000 0.333 135 F C -2.112 173.714 175.800 0.043 0.000 1.292 135 F CA -2.133 55.887 58.000 0.033 0.000 1.184 135 F CB 1.151 40.175 39.000 0.040 0.000 1.426 135 F HN 0.011 nan 8.300 nan 0.000 0.559 136 P HA -0.226 nan 4.420 nan 0.000 0.216 136 P C 1.435 178.814 177.300 0.133 0.000 1.150 136 P CA 1.533 64.699 63.100 0.110 0.000 0.837 136 P CB 0.220 31.955 31.700 0.059 0.000 0.786 137 R N -0.223 120.365 120.500 0.146 0.000 2.073 137 R HA -0.060 4.280 4.340 -0.001 0.000 0.234 137 R C 2.295 178.692 176.300 0.162 0.000 1.134 137 R CA 1.497 57.682 56.100 0.143 0.000 0.952 137 R CB -2.384 27.991 30.300 0.125 0.000 0.850 137 R HN 0.226 nan 8.270 nan 0.000 0.433 138 M N 0.974 120.680 119.600 0.176 0.000 2.080 138 M HA -0.168 4.311 4.480 -0.001 0.000 0.260 138 M C 1.653 178.063 176.300 0.184 0.000 1.068 138 M CA 2.117 57.508 55.300 0.152 0.000 1.109 138 M CB -0.250 32.417 32.600 0.111 0.000 1.342 138 M HN 0.229 nan 8.290 nan 0.000 0.405 139 N N 0.867 119.686 118.700 0.200 0.000 2.149 139 N HA -0.211 4.528 4.740 -0.001 0.000 0.188 139 N C 1.343 176.985 175.510 0.221 0.000 1.019 139 N CA 1.955 55.129 53.050 0.207 0.000 0.857 139 N CB -0.519 38.070 38.487 0.170 0.000 0.997 139 N HN 0.563 nan 8.380 nan 0.000 0.426 140 N N -0.372 118.443 118.700 0.193 0.000 2.142 140 N HA -0.111 4.629 4.740 -0.001 0.000 0.186 140 N C 1.658 177.357 175.510 0.314 0.000 1.023 140 N CA 0.827 54.004 53.050 0.212 0.000 0.852 140 N CB -0.354 38.258 38.487 0.209 0.000 0.998 140 N HN 0.196 nan 8.380 nan 0.000 0.424 141 L N 0.802 122.201 121.223 0.293 0.000 1.994 141 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 141 L C 2.421 179.473 176.870 0.303 0.000 1.071 141 L CA 2.321 57.345 54.840 0.307 0.000 0.745 141 L CB -1.470 40.712 42.059 0.206 0.000 0.892 141 L HN 0.426 nan 8.230 nan 0.000 0.431 142 S N -1.247 114.620 115.700 0.279 0.000 2.389 142 S HA -0.394 4.075 4.470 -0.001 0.000 0.231 142 S C 2.153 176.970 174.600 0.361 0.000 1.052 142 S CA 1.884 60.277 58.200 0.321 0.000 1.053 142 S CB -1.504 61.907 63.200 0.351 0.000 0.886 142 S HN 0.627 nan 8.310 nan 0.000 0.456 143 Y N 0.795 121.175 120.300 0.134 0.000 2.145 143 Y HA -0.078 4.471 4.550 -0.001 0.000 0.286 143 Y C 2.027 177.868 175.900 -0.098 0.000 1.145 143 Y CA 1.520 59.504 58.100 -0.195 0.000 1.148 143 Y CB -0.742 37.384 38.460 -0.556 0.000 0.981 143 Y HN 0.347 nan 8.280 nan 0.000 0.507 144 W N 0.097 121.425 121.300 0.047 0.000 2.388 144 W HA -0.134 4.526 4.660 -0.001 0.000 0.294 144 W C 2.261 178.748 176.519 -0.053 0.000 1.212 144 W CA 0.979 58.293 57.345 -0.052 0.000 1.271 144 W CB -0.379 29.120 29.460 0.065 0.000 1.126 144 W HN 0.050 nan 8.180 nan 0.000 0.535 145 L N -0.709 120.668 121.223 0.256 0.000 2.012 145 L HA -0.304 4.035 4.340 -0.001 0.000 0.210 145 L C 2.452 179.454 176.870 0.220 0.000 1.073 145 L CA 1.617 56.586 54.840 0.214 0.000 0.748 145 L CB -1.272 40.921 42.059 0.224 0.000 0.891 145 L HN 0.100 nan 8.230 nan 0.000 0.431 146 Y N 0.632 120.988 120.300 0.095 0.000 2.165 146 Y HA -0.231 4.318 4.550 -0.001 0.000 0.286 146 Y C 2.300 178.207 175.900 0.012 0.000 1.155 146 Y CA 1.661 59.841 58.100 0.133 0.000 1.164 146 Y CB -0.665 37.888 38.460 0.155 0.000 0.978 146 Y HN -0.115 nan 8.280 nan 0.000 0.513 147 V N 0.797 120.409 119.914 -0.502 0.000 2.427 147 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 147 V C 2.766 178.729 176.094 -0.218 0.000 1.051 147 V CA 1.643 63.629 62.300 -0.523 0.000 1.048 147 V CB -1.714 29.866 31.823 -0.405 0.000 0.666 147 V HN 0.562 nan 8.190 nan 0.000 0.456 148 A N 0.850 123.641 122.820 -0.049 0.000 1.858 148 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 148 A C 2.468 180.029 177.584 -0.038 0.000 1.190 148 A CA 1.930 53.964 52.037 -0.005 0.000 0.617 148 A CB -1.420 17.613 19.000 0.055 0.000 0.827 148 A HN 0.498 nan 8.150 nan 0.000 0.443 149 G N -0.583 108.233 108.800 0.026 0.000 2.599 149 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.219 149 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.219 149 G C 1.606 176.216 174.900 -0.483 0.000 1.193 149 G CA 1.974 47.108 45.100 0.057 0.000 0.778 149 G HN 0.450 nan 8.290 nan 0.000 0.589 150 T N 1.068 115.170 114.554 -0.753 0.000 2.720 150 T HA -0.121 4.228 4.350 -0.001 0.000 0.268 150 T C 2.797 177.220 174.700 -0.461 0.000 1.037 150 T CA 1.594 63.123 62.100 -0.952 0.000 1.144 150 T CB -0.318 68.155 68.868 -0.658 0.000 0.864 150 T HN 0.266 nan 8.240 nan 0.000 0.444 151 S N 1.184 116.722 115.700 -0.270 0.000 2.356 151 S HA -0.018 4.451 4.470 -0.001 0.000 0.223 151 S C 1.961 176.526 174.600 -0.059 0.000 1.032 151 S CA 0.737 58.865 58.200 -0.120 0.000 1.005 151 S CB -0.432 62.725 63.200 -0.072 0.000 0.867 151 S HN 0.171 nan 8.310 nan 0.000 0.449 152 L N 1.674 122.865 121.223 -0.053 0.000 2.046 152 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 152 L C 2.604 179.490 176.870 0.026 0.000 1.077 152 L CA 1.731 56.590 54.840 0.032 0.000 0.747 152 L CB -1.262 40.852 42.059 0.092 0.000 0.896 152 L HN 0.296 nan 8.230 nan 0.000 0.432 153 A N -1.064 121.711 122.820 -0.075 0.000 1.883 153 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 153 A C 2.373 179.969 177.584 0.020 0.000 1.186 153 A CA 2.056 54.073 52.037 -0.034 0.000 0.624 153 A CB -0.975 17.926 19.000 -0.166 0.000 0.822 153 A HN 0.219 nan 8.150 nan 0.000 0.444 154 V N -0.279 119.638 119.914 0.005 0.000 2.515 154 V HA -0.187 3.932 4.120 -0.001 0.000 0.250 154 V C 2.993 179.215 176.094 0.214 0.000 1.058 154 V CA 1.696 64.066 62.300 0.117 0.000 1.064 154 V CB -1.096 30.799 31.823 0.121 0.000 0.675 154 V HN 0.621 nan 8.190 nan 0.000 0.461 155 A N 0.800 123.724 122.820 0.174 0.000 1.902 155 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 155 A C 2.571 180.269 177.584 0.190 0.000 1.181 155 A CA 2.103 54.278 52.037 0.229 0.000 0.623 155 A CB -0.791 18.304 19.000 0.158 0.000 0.818 155 A HN 0.678 nan 8.150 nan 0.000 0.443 156 S N 0.300 116.065 115.700 0.107 0.000 2.400 156 S HA -0.147 4.322 4.470 -0.001 0.000 0.232 156 S C 1.794 176.374 174.600 -0.034 0.000 1.025 156 S CA 1.541 59.769 58.200 0.048 0.000 0.993 156 S CB -0.828 62.399 63.200 0.046 0.000 0.808 156 S HN 0.476 nan 8.310 nan 0.000 0.478 157 L N -1.044 120.110 121.223 -0.115 0.000 2.265 157 L HA 0.056 4.395 4.340 -0.001 0.000 0.215 157 L C 1.488 178.018 176.870 -0.566 0.000 1.117 157 L CA 1.108 55.715 54.840 -0.388 0.000 0.782 157 L CB -0.468 41.239 42.059 -0.587 0.000 0.914 157 L HN 0.328 nan 8.230 nan 0.000 0.441 158 F N -0.710 119.254 119.950 0.024 0.000 2.682 158 F HA 0.367 4.894 4.527 -0.001 0.000 0.308 158 F C 1.244 177.036 175.800 -0.013 0.000 1.093 158 F CA -0.582 57.428 58.000 0.017 0.000 1.244 158 F CB -0.135 38.881 39.000 0.027 0.000 1.052 158 F HN -0.164 nan 8.300 nan 0.000 0.573 159 A N 1.039 123.894 122.820 0.059 0.000 2.322 159 A HA 0.541 4.860 4.320 -0.001 0.000 0.269 159 A C -2.394 175.049 177.584 -0.236 0.000 1.094 159 A CA -1.535 50.429 52.037 -0.122 0.000 0.807 159 A CB -0.249 18.637 19.000 -0.191 0.000 1.047 159 A HN -0.111 nan 8.150 nan 0.000 0.487 160 P HA 0.243 nan 4.420 nan 0.000 0.263 160 P C 0.446 177.578 177.300 -0.280 0.000 1.195 160 P CA 0.901 63.826 63.100 -0.291 0.000 0.762 160 P CB 0.829 32.356 31.700 -0.288 0.000 0.799 161 G N 2.168 110.888 108.800 -0.133 0.000 3.195 161 G HA2 0.593 4.552 3.960 -0.001 0.000 0.217 161 G HA3 0.593 4.552 3.960 -0.001 0.000 0.217 161 G C -0.240 174.617 174.900 -0.072 0.000 1.166 161 G CA -0.510 44.550 45.100 -0.066 0.000 0.812 161 G HN 0.549 nan 8.290 nan 0.000 0.617 162 G N -0.585 108.211 108.800 -0.008 0.000 2.491 162 G HA2 0.349 4.308 3.960 -0.001 0.000 0.238 162 G HA3 0.349 4.308 3.960 -0.001 0.000 0.238 162 G C 0.404 175.072 174.900 -0.388 0.000 1.277 162 G CA 0.587 45.634 45.100 -0.088 0.000 0.851 162 G HN 0.860 nan 8.290 nan 0.000 0.573 163 N N -0.211 118.358 118.700 -0.217 0.000 2.741 163 N HA -0.229 4.510 4.740 -0.001 0.000 0.250 163 N C 1.401 176.795 175.510 -0.194 0.000 1.115 163 N CA 1.765 54.692 53.050 -0.206 0.000 0.724 163 N CB -1.277 37.066 38.487 -0.240 0.000 1.090 163 N HN 1.951 nan 8.380 nan 0.000 0.558 164 G N -0.513 108.194 108.800 -0.155 0.000 2.203 164 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.263 164 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.263 164 G C 0.112 174.941 174.900 -0.118 0.000 1.012 164 G CA 1.252 46.289 45.100 -0.106 0.000 0.749 164 G HN 0.621 nan 8.290 nan 0.000 0.512 165 Q N -1.503 118.173 119.800 -0.206 0.000 2.699 165 Q HA 0.780 5.120 4.340 -0.001 0.000 0.240 165 Q C 0.416 176.378 176.000 -0.062 0.000 1.033 165 Q CA -1.087 54.634 55.803 -0.137 0.000 0.938 165 Q CB 1.135 29.759 28.738 -0.189 0.000 1.312 165 Q HN 0.294 nan 8.270 nan 0.000 0.507 166 L N 0.270 121.515 121.223 0.037 0.000 2.357 166 L HA 0.693 5.033 4.340 -0.001 0.000 0.273 166 L C 0.405 177.352 176.870 0.128 0.000 1.080 166 L CA -0.322 54.544 54.840 0.044 0.000 0.803 166 L CB 1.081 43.165 42.059 0.042 0.000 1.174 166 L HN 0.859 nan 8.230 nan 0.000 0.443 167 G N 1.415 110.242 108.800 0.044 0.000 2.663 167 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.686 167 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.686 167 G C -0.769 174.173 174.900 0.070 0.000 1.246 167 G CA -0.913 44.190 45.100 0.004 0.000 0.795 167 G HN 0.515 nan 8.290 nan 0.000 0.627 168 S N 0.261 115.955 115.700 -0.011 0.000 2.422 168 S HA 0.605 5.074 4.470 -0.001 0.000 0.298 168 S C 0.820 175.382 174.600 -0.062 0.000 1.118 168 S CA 0.221 58.427 58.200 0.010 0.000 1.083 168 S CB 1.679 64.882 63.200 0.006 0.000 0.971 168 S HN 1.740 nan 8.310 nan 0.000 0.478 169 G N 2.336 111.100 108.800 -0.059 0.000 3.964 169 G HA2 0.460 4.420 3.960 -0.001 0.000 0.289 169 G HA3 0.460 4.420 3.960 -0.001 0.000 0.289 169 G C 0.448 175.352 174.900 0.005 0.000 1.176 169 G CA -0.578 44.454 45.100 -0.113 0.000 1.553 169 G HN 0.848 nan 8.290 nan 0.000 0.588 170 I N -1.707 118.868 120.570 0.009 0.000 4.338 170 I HA 0.530 4.699 4.170 -0.001 0.000 0.329 170 I C 0.749 176.867 176.117 0.001 0.000 1.378 170 I CA -0.241 61.068 61.300 0.014 0.000 1.170 170 I CB 0.369 38.370 38.000 0.002 0.000 1.206 170 I HN 0.386 nan 8.210 nan 0.000 0.432 171 G N 2.285 111.103 108.800 0.030 0.000 2.750 171 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.686 171 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.686 171 G C 0.089 175.021 174.900 0.054 0.000 1.395 171 G CA 0.008 45.136 45.100 0.047 0.000 0.918 171 G HN 0.690 nan 8.290 nan 0.000 0.594 172 W N 1.374 122.664 121.300 -0.016 0.000 2.538 172 W HA 0.025 4.685 4.660 -0.001 0.000 0.254 172 W C 1.329 177.861 176.519 0.022 0.000 1.249 172 W CA 1.768 59.120 57.345 0.013 0.000 1.253 172 W CB -1.072 28.380 29.460 -0.012 0.000 1.130 172 W HN 1.104 nan 8.180 nan 0.000 0.618 173 V N -0.695 118.801 119.914 -0.696 0.000 3.621 173 V HA 0.205 4.324 4.120 -0.001 0.000 0.285 173 V C 1.340 177.338 176.094 -0.160 0.000 1.346 173 V CA 0.052 61.919 62.300 -0.722 0.000 1.104 173 V CB -1.096 30.116 31.823 -1.019 0.000 0.913 173 V HN 0.178 nan 8.190 nan 0.000 0.432 174 L N -1.473 119.685 121.223 -0.110 0.000 3.634 174 L HA -0.216 4.123 4.340 -0.001 0.000 0.423 174 L C -0.132 176.647 176.870 -0.151 0.000 1.253 174 L CA 0.033 54.823 54.840 -0.084 0.000 0.885 174 L CB -2.745 39.257 42.059 -0.096 0.000 1.789 174 L HN 0.328 nan 8.230 nan 0.000 0.904 175 Y N 1.412 121.557 120.300 -0.257 0.000 2.717 175 Y HA 0.169 4.718 4.550 -0.001 0.000 0.330 175 Y C -1.106 174.572 175.900 -0.370 0.000 1.217 175 Y CA -1.933 55.980 58.100 -0.311 0.000 1.506 175 Y CB -0.055 38.353 38.460 -0.086 0.000 1.268 175 Y HN 0.119 nan 8.280 nan 0.000 0.561 176 P HA 0.230 nan 4.420 nan 0.000 0.280 176 P C -2.325 174.928 177.300 -0.078 0.000 1.272 176 P CA -2.012 60.948 63.100 -0.234 0.000 0.819 176 P CB 1.241 32.761 31.700 -0.300 0.000 1.122 177 P HA 0.003 nan 4.420 nan 0.000 0.237 177 P C 1.539 178.845 177.300 0.011 0.000 1.178 177 P CA 0.146 63.258 63.100 0.020 0.000 0.766 177 P CB -0.167 31.561 31.700 0.047 0.000 0.876 178 L N 1.013 122.246 121.223 0.017 0.000 1.990 178 L HA -0.227 4.112 4.340 -0.001 0.000 0.213 178 L C 2.255 179.124 176.870 -0.002 0.000 1.072 178 L CA 2.634 57.488 54.840 0.022 0.000 0.755 178 L CB -1.455 40.629 42.059 0.042 0.000 0.889 178 L HN 0.047 nan 8.230 nan 0.000 0.432 179 S N -2.346 113.329 115.700 -0.041 0.000 2.406 179 S HA -0.152 4.317 4.470 -0.001 0.000 0.228 179 S C 1.843 176.414 174.600 -0.047 0.000 1.020 179 S CA 1.178 59.341 58.200 -0.061 0.000 0.965 179 S CB -1.373 61.748 63.200 -0.132 0.000 0.798 179 S HN 0.675 nan 8.310 nan 0.000 0.488 180 T N 0.107 114.639 114.554 -0.037 0.000 3.067 180 T HA 0.087 4.436 4.350 -0.001 0.000 0.261 180 T C 1.852 176.553 174.700 0.002 0.000 1.110 180 T CA 0.924 63.021 62.100 -0.005 0.000 1.113 180 T CB -0.385 68.506 68.868 0.038 0.000 0.917 180 T HN 0.611 nan 8.240 nan 0.000 0.499 181 S N 0.088 115.791 115.700 0.004 0.000 2.511 181 S HA 0.190 4.659 4.470 -0.001 0.000 0.214 181 S C 0.522 175.126 174.600 0.006 0.000 0.997 181 S CA -0.393 57.811 58.200 0.008 0.000 0.908 181 S CB -0.331 62.878 63.200 0.015 0.000 0.803 181 S HN 0.505 nan 8.310 nan 0.000 0.504 182 E N 3.638 123.843 120.200 0.007 0.000 2.558 182 E HA 0.137 4.486 4.350 -0.001 0.000 0.255 182 E C 0.351 176.953 176.600 0.003 0.000 0.968 182 E CA 0.134 56.542 56.400 0.013 0.000 0.939 182 E CB 0.369 30.081 29.700 0.021 0.000 0.921 182 E HN 0.534 nan 8.360 nan 0.000 0.477 183 S N 3.398 119.095 115.700 -0.006 0.000 2.608 183 S HA 0.639 5.109 4.470 -0.001 0.000 0.261 183 S C 0.889 175.477 174.600 -0.020 0.000 1.314 183 S CA -0.381 57.812 58.200 -0.012 0.000 0.992 183 S CB 0.985 64.171 63.200 -0.022 0.000 0.935 183 S HN 1.231 nan 8.310 nan 0.000 0.564 184 G N 0.664 109.460 108.800 -0.007 0.000 2.693 184 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.226 184 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.226 184 G C -0.188 174.735 174.900 0.039 0.000 1.354 184 G CA 0.295 45.379 45.100 -0.027 0.000 0.873 184 G HN 1.953 nan 8.290 nan 0.000 0.562 185 Y N -2.349 117.959 120.300 0.013 0.000 2.527 185 Y HA 0.617 5.167 4.550 -0.001 0.000 0.247 185 Y C 2.379 178.291 175.900 0.020 0.000 1.138 185 Y CA 0.858 58.964 58.100 0.010 0.000 1.228 185 Y CB -0.283 38.194 38.460 0.027 0.000 1.252 185 Y HN 0.824 nan 8.280 nan 0.000 0.531 186 S N 0.960 116.544 115.700 -0.194 0.000 2.380 186 S HA -0.259 4.210 4.470 -0.001 0.000 0.229 186 S C 1.827 176.425 174.600 -0.003 0.000 1.043 186 S CA 2.647 60.791 58.200 -0.093 0.000 1.038 186 S CB -0.663 62.477 63.200 -0.101 0.000 0.872 186 S HN 0.678 nan 8.310 nan 0.000 0.456 187 T N 1.789 116.337 114.554 -0.010 0.000 2.821 187 T HA -0.065 4.284 4.350 -0.001 0.000 0.267 187 T C 1.401 176.063 174.700 -0.063 0.000 1.046 187 T CA 1.364 63.449 62.100 -0.024 0.000 1.139 187 T CB -0.450 68.401 68.868 -0.028 0.000 0.871 187 T HN 0.528 nan 8.240 nan 0.000 0.454 188 D N 1.229 121.596 120.400 -0.055 0.000 2.144 188 D HA -0.003 4.636 4.640 -0.001 0.000 0.200 188 D C 2.143 178.292 176.300 -0.251 0.000 0.978 188 D CA 0.767 54.639 54.000 -0.214 0.000 0.833 188 D CB -0.104 40.631 40.800 -0.108 0.000 0.961 188 D HN 0.346 nan 8.370 nan 0.000 0.470 189 L N 0.980 122.245 121.223 0.070 0.000 2.093 189 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 189 L C 2.704 179.651 176.870 0.129 0.000 1.085 189 L CA 0.855 55.823 54.840 0.213 0.000 0.755 189 L CB -0.446 41.752 42.059 0.232 0.000 0.904 189 L HN -0.030 nan 8.230 nan 0.000 0.435 190 A N 0.448 123.296 122.820 0.046 0.000 1.902 190 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 190 A C 2.196 179.771 177.584 -0.015 0.000 1.181 190 A CA 1.410 53.468 52.037 0.035 0.000 0.623 190 A CB -0.579 18.433 19.000 0.020 0.000 0.818 190 A HN 0.345 nan 8.150 nan 0.000 0.443 191 I N -1.641 118.865 120.570 -0.106 0.000 2.252 191 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 191 I C 2.187 178.286 176.117 -0.030 0.000 1.102 191 I CA 1.123 62.322 61.300 -0.168 0.000 1.385 191 I CB -0.372 37.473 38.000 -0.258 0.000 1.064 191 I HN 0.255 nan 8.210 nan 0.000 0.414 192 F N 1.148 121.171 119.950 0.121 0.000 2.113 192 F HA -0.148 4.379 4.527 -0.001 0.000 0.297 192 F C 2.687 178.569 175.800 0.137 0.000 1.103 192 F CA 0.945 59.045 58.000 0.168 0.000 1.248 192 F CB -1.400 37.672 39.000 0.120 0.000 0.999 192 F HN -0.002 nan 8.300 nan 0.000 0.475 193 A N 0.204 123.197 122.820 0.290 0.000 1.884 193 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 193 A C 2.441 180.186 177.584 0.268 0.000 1.197 193 A CA 2.588 54.774 52.037 0.248 0.000 0.637 193 A CB -1.366 17.748 19.000 0.190 0.000 0.827 193 A HN 0.200 nan 8.150 nan 0.000 0.450 194 V N -0.699 119.218 119.914 0.005 0.000 2.427 194 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 194 V C 2.438 178.390 176.094 -0.236 0.000 1.051 194 V CA 1.982 64.047 62.300 -0.392 0.000 1.048 194 V CB -1.057 30.345 31.823 -0.702 0.000 0.666 194 V HN 0.646 nan 8.190 nan 0.000 0.456 195 H N -0.081 118.965 119.070 -0.040 0.000 2.319 195 H HA -0.112 4.443 4.556 -0.001 0.000 0.299 195 H C 2.296 177.663 175.328 0.066 0.000 1.092 195 H CA 1.913 57.977 56.048 0.028 0.000 1.302 195 H CB -0.183 29.657 29.762 0.130 0.000 1.373 195 H HN 0.330 nan 8.280 nan 0.000 0.497 196 L N -0.481 120.895 121.223 0.255 0.000 2.056 196 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 196 L C 2.840 179.858 176.870 0.246 0.000 1.078 196 L CA 1.116 56.091 54.840 0.226 0.000 0.749 196 L CB -0.481 41.708 42.059 0.217 0.000 0.901 196 L HN 0.179 nan 8.230 nan 0.000 0.433 197 S N 0.353 116.217 115.700 0.272 0.000 2.365 197 S HA -0.201 4.268 4.470 -0.001 0.000 0.225 197 S C 2.067 176.751 174.600 0.140 0.000 1.039 197 S CA 1.727 60.062 58.200 0.225 0.000 1.033 197 S CB -0.623 62.536 63.200 -0.068 0.000 0.887 197 S HN 0.521 nan 8.310 nan 0.000 0.447 198 G N 0.675 109.514 108.800 0.066 0.000 2.440 198 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.218 198 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.218 198 G C 1.699 176.659 174.900 0.100 0.000 1.154 198 G CA 1.125 46.261 45.100 0.061 0.000 0.767 198 G HN 0.759 nan 8.290 nan 0.000 0.552 199 A N 0.693 123.591 122.820 0.129 0.000 1.858 199 A HA -0.030 4.289 4.320 -0.001 0.000 0.216 199 A C 2.650 180.320 177.584 0.142 0.000 1.190 199 A CA 2.389 54.501 52.037 0.125 0.000 0.617 199 A CB -1.103 17.973 19.000 0.127 0.000 0.827 199 A HN 0.508 nan 8.150 nan 0.000 0.443 200 S N -0.215 115.600 115.700 0.191 0.000 2.368 200 S HA -0.219 4.251 4.470 -0.001 0.000 0.226 200 S C 2.244 176.967 174.600 0.204 0.000 1.044 200 S CA 2.430 60.775 58.200 0.241 0.000 1.062 200 S CB -0.573 62.827 63.200 0.332 0.000 0.931 200 S HN 0.567 nan 8.310 nan 0.000 0.440 201 S N 1.080 116.869 115.700 0.148 0.000 2.368 201 S HA 0.022 4.492 4.470 -0.001 0.000 0.225 201 S C 1.815 176.459 174.600 0.073 0.000 1.030 201 S CA 1.483 59.730 58.200 0.079 0.000 0.999 201 S CB -0.485 62.718 63.200 0.006 0.000 0.844 201 S HN 0.551 nan 8.310 nan 0.000 0.459 202 I N 1.305 121.917 120.570 0.071 0.000 2.179 202 I HA -0.182 3.987 4.170 -0.001 0.000 0.242 202 I C 2.112 178.262 176.117 0.055 0.000 1.088 202 I CA 1.086 62.415 61.300 0.048 0.000 1.357 202 I CB -0.367 37.660 38.000 0.045 0.000 1.051 202 I HN 0.237 nan 8.210 nan 0.000 0.409 203 L N 0.314 121.585 121.223 0.079 0.000 2.012 203 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 203 L C 2.734 179.675 176.870 0.118 0.000 1.073 203 L CA 1.740 56.625 54.840 0.074 0.000 0.748 203 L CB -1.376 40.741 42.059 0.098 0.000 0.891 203 L HN 0.336 nan 8.230 nan 0.000 0.431 204 G N -0.269 108.640 108.800 0.181 0.000 2.476 204 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.218 204 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.218 204 G C 1.733 176.788 174.900 0.259 0.000 1.164 204 G CA 1.024 46.264 45.100 0.234 0.000 0.768 204 G HN 0.501 nan 8.290 nan 0.000 0.560 205 A N 0.680 123.655 122.820 0.257 0.000 1.930 205 A HA 0.066 4.385 4.320 -0.001 0.000 0.217 205 A C 2.367 179.968 177.584 0.028 0.000 1.175 205 A CA 1.303 53.448 52.037 0.180 0.000 0.627 205 A CB -0.242 18.770 19.000 0.021 0.000 0.815 205 A HN 0.302 nan 8.150 nan 0.000 0.443 206 I N 0.511 121.091 120.570 0.016 0.000 2.163 206 I HA -0.234 3.935 4.170 -0.001 0.000 0.243 206 I C 2.310 178.503 176.117 0.126 0.000 1.085 206 I CA 1.963 63.260 61.300 -0.004 0.000 1.347 206 I CB -1.577 36.386 38.000 -0.062 0.000 1.044 206 I HN 0.391 nan 8.210 nan 0.000 0.408 207 N N 0.954 119.765 118.700 0.185 0.000 2.084 207 N HA -0.175 4.564 4.740 -0.001 0.000 0.190 207 N C 1.817 177.418 175.510 0.152 0.000 1.030 207 N CA 1.521 54.737 53.050 0.277 0.000 0.849 207 N CB -0.085 38.540 38.487 0.230 0.000 1.012 207 N HN 0.106 nan 8.380 nan 0.000 0.423 208 M N 0.011 119.663 119.600 0.087 0.000 2.117 208 M HA -0.078 4.401 4.480 -0.001 0.000 0.262 208 M C 2.133 178.525 176.300 0.154 0.000 1.065 208 M CA 1.057 56.392 55.300 0.059 0.000 1.114 208 M CB -0.914 31.686 32.600 -0.000 0.000 1.361 208 M HN 0.206 nan 8.290 nan 0.000 0.408 209 I N -0.215 120.423 120.570 0.114 0.000 2.315 209 I HA -0.228 3.941 4.170 -0.001 0.000 0.248 209 I C 2.203 178.475 176.117 0.258 0.000 1.117 209 I CA 1.202 62.608 61.300 0.178 0.000 1.404 209 I CB -0.508 37.350 38.000 -0.236 0.000 1.071 209 I HN 0.309 nan 8.210 nan 0.000 0.419 210 T N -0.462 114.206 114.554 0.189 0.000 2.809 210 T HA -0.114 4.235 4.350 -0.001 0.000 0.260 210 T C 1.915 176.658 174.700 0.071 0.000 1.039 210 T CA 1.734 63.932 62.100 0.163 0.000 1.141 210 T CB -0.403 68.607 68.868 0.236 0.000 0.869 210 T HN 0.283 nan 8.240 nan 0.000 0.437 211 T N 1.891 116.472 114.554 0.045 0.000 2.759 211 T HA -0.060 4.290 4.350 -0.001 0.000 0.269 211 T C 1.530 176.228 174.700 -0.004 0.000 1.042 211 T CA 1.049 63.135 62.100 -0.022 0.000 1.140 211 T CB -0.479 68.366 68.868 -0.038 0.000 0.864 211 T HN 0.357 nan 8.240 nan 0.000 0.455 212 F N 1.094 120.987 119.950 -0.096 0.000 2.163 212 F HA 0.147 4.674 4.527 -0.001 0.000 0.297 212 F C 1.795 177.451 175.800 -0.239 0.000 1.094 212 F CA 0.994 58.870 58.000 -0.206 0.000 1.290 212 F CB -0.194 38.642 39.000 -0.274 0.000 1.017 212 F HN 0.031 nan 8.300 nan 0.000 0.483 213 L N -0.211 121.075 121.223 0.104 0.000 2.418 213 L HA -0.042 4.297 4.340 -0.001 0.000 0.218 213 L C 1.194 178.045 176.870 -0.031 0.000 1.125 213 L CA 0.546 55.420 54.840 0.056 0.000 0.835 213 L CB -0.356 41.844 42.059 0.236 0.000 0.953 213 L HN 0.157 nan 8.230 nan 0.000 0.454 214 N N -1.381 117.290 118.700 -0.048 0.000 2.360 214 N HA 0.171 4.910 4.740 -0.001 0.000 0.211 214 N C 1.151 176.605 175.510 -0.095 0.000 1.147 214 N CA 0.501 53.518 53.050 -0.055 0.000 0.866 214 N CB 0.524 38.991 38.487 -0.033 0.000 1.206 214 N HN 0.171 nan 8.380 nan 0.000 0.478 215 M N 0.247 119.773 119.600 -0.124 0.000 2.484 215 M HA 0.265 4.744 4.480 -0.001 0.000 0.307 215 M C -0.196 176.014 176.300 -0.150 0.000 1.149 215 M CA -0.188 55.036 55.300 -0.128 0.000 0.972 215 M CB 0.845 33.367 32.600 -0.129 0.000 1.400 215 M HN -0.193 nan 8.290 nan 0.000 0.508 216 R N 1.783 122.166 120.500 -0.194 0.000 2.522 216 R HA 0.332 4.671 4.340 -0.001 0.000 0.284 216 R C 0.389 176.607 176.300 -0.137 0.000 1.032 216 R CA -0.214 55.759 56.100 -0.211 0.000 1.049 216 R CB 0.573 30.694 30.300 -0.298 0.000 0.956 216 R HN 0.280 nan 8.270 nan 0.000 0.422 217 A N 5.962 128.717 122.820 -0.109 0.000 2.555 217 A HA 0.101 4.420 4.320 -0.001 0.000 0.233 217 A C -1.928 175.616 177.584 -0.066 0.000 1.060 217 A CA -0.903 51.090 52.037 -0.073 0.000 0.759 217 A CB -0.321 18.649 19.000 -0.051 0.000 0.995 217 A HN 0.456 nan 8.150 nan 0.000 0.506 218 P HA 0.253 nan 4.420 nan 0.000 0.261 218 P C 1.119 178.398 177.300 -0.035 0.000 1.183 218 P CA 1.759 64.835 63.100 -0.040 0.000 0.761 218 P CB 0.560 32.241 31.700 -0.030 0.000 0.785 219 G N 3.064 111.843 108.800 -0.034 0.000 2.317 219 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.227 219 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.227 219 G C 0.355 175.236 174.900 -0.032 0.000 1.042 219 G CA 0.115 45.199 45.100 -0.026 0.000 0.623 219 G HN 0.587 nan 8.290 nan 0.000 0.509 220 M N 3.434 123.005 119.600 -0.048 0.000 2.982 220 M HA 0.521 5.000 4.480 -0.001 0.000 0.293 220 M C 0.860 177.115 176.300 -0.076 0.000 1.611 220 M CA 0.635 55.898 55.300 -0.062 0.000 1.576 220 M CB -0.616 31.931 32.600 -0.090 0.000 1.555 220 M HN 0.304 nan 8.290 nan 0.000 0.485 221 T N 2.749 117.283 114.554 -0.033 0.000 2.754 221 T HA 0.183 4.532 4.350 -0.001 0.000 0.286 221 T C 1.175 175.888 174.700 0.021 0.000 0.997 221 T CA -0.585 61.511 62.100 -0.007 0.000 0.982 221 T CB 0.776 69.658 68.868 0.023 0.000 1.027 221 T HN 0.790 nan 8.240 nan 0.000 0.529 222 M N 1.805 121.455 119.600 0.083 0.000 2.117 222 M HA -0.006 4.473 4.480 -0.001 0.000 0.262 222 M C 2.227 178.796 176.300 0.449 0.000 1.065 222 M CA 2.481 57.913 55.300 0.220 0.000 1.114 222 M CB -0.970 31.797 32.600 0.278 0.000 1.361 222 M HN 0.864 nan 8.290 nan 0.000 0.408 223 H N -1.578 117.695 119.070 0.339 0.000 2.555 223 H HA 0.576 5.131 4.556 -0.001 0.000 0.283 223 H C 1.687 177.110 175.328 0.158 0.000 1.037 223 H CA 0.930 57.211 56.048 0.389 0.000 1.169 223 H CB -0.927 28.986 29.762 0.251 0.000 1.375 223 H HN 0.501 nan 8.280 nan 0.000 0.582 224 K N -0.044 120.450 120.400 0.157 0.000 2.412 224 K HA 0.500 4.820 4.320 -0.001 0.000 0.202 224 K C 0.757 177.427 176.600 0.118 0.000 1.102 224 K CA 0.604 56.911 56.287 0.033 0.000 1.027 224 K CB -0.309 32.194 32.500 0.005 0.000 0.931 224 K HN 0.363 nan 8.250 nan 0.000 0.557 225 V N 3.722 123.773 119.914 0.229 0.000 2.540 225 V HA 0.119 4.238 4.120 -0.001 0.000 0.297 225 V C -2.325 174.053 176.094 0.474 0.000 1.024 225 V CA -1.425 60.989 62.300 0.191 0.000 1.105 225 V CB 0.905 32.642 31.823 -0.143 0.000 0.938 225 V HN 0.307 nan 8.190 nan 0.000 0.482 226 P HA 0.109 nan 4.420 nan 0.000 0.269 226 P C 0.960 178.709 177.300 0.747 0.000 1.217 226 P CA -0.097 63.300 63.100 0.495 0.000 0.783 226 P CB 0.584 32.450 31.700 0.277 0.000 0.898 227 L N 0.630 122.340 121.223 0.812 0.000 2.093 227 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 227 L C 2.194 179.463 176.870 0.665 0.000 1.085 227 L CA 1.263 56.528 54.840 0.708 0.000 0.755 227 L CB -0.602 41.782 42.059 0.541 0.000 0.904 227 L HN 0.352 nan 8.230 nan 0.000 0.435 228 F N 1.022 121.277 119.950 0.509 0.000 2.095 228 F HA -0.288 4.238 4.527 -0.001 0.000 0.298 228 F C 2.438 178.494 175.800 0.426 0.000 1.104 228 F CA 1.426 59.604 58.000 0.296 0.000 1.232 228 F CB -0.329 38.681 39.000 0.017 0.000 0.987 228 F HN 0.012 nan 8.300 nan 0.000 0.475 229 A N -0.689 122.439 122.820 0.512 0.000 1.933 229 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 229 A C 2.170 179.915 177.584 0.269 0.000 1.175 229 A CA 1.578 53.822 52.037 0.345 0.000 0.628 229 A CB -1.721 17.551 19.000 0.453 0.000 0.814 229 A HN 0.672 nan 8.150 nan 0.000 0.444 230 W N 0.843 122.348 121.300 0.342 0.000 2.358 230 W HA -0.227 4.432 4.660 -0.001 0.000 0.303 230 W C 3.078 179.689 176.519 0.154 0.000 1.208 230 W CA 2.058 59.554 57.345 0.252 0.000 1.274 230 W CB -0.185 29.423 29.460 0.246 0.000 1.138 230 W HN 0.502 nan 8.180 nan 0.000 0.515 231 S N 0.152 116.063 115.700 0.351 0.000 2.370 231 S HA -0.222 4.247 4.470 -0.001 0.000 0.226 231 S C 1.751 176.407 174.600 0.093 0.000 1.033 231 S CA 1.505 59.826 58.200 0.201 0.000 1.011 231 S CB -0.756 62.539 63.200 0.159 0.000 0.852 231 S HN 0.100 nan 8.310 nan 0.000 0.457 232 I N 0.836 121.363 120.570 -0.072 0.000 2.286 232 I HA -0.046 4.123 4.170 -0.001 0.000 0.248 232 I C 2.266 178.468 176.117 0.141 0.000 1.115 232 I CA 1.083 62.363 61.300 -0.033 0.000 1.392 232 I CB -1.460 36.367 38.000 -0.288 0.000 1.065 232 I HN 0.331 nan 8.210 nan 0.000 0.418 233 F N 1.712 121.594 119.950 -0.113 0.000 2.113 233 F HA -0.156 4.370 4.527 -0.001 0.000 0.297 233 F C 2.442 178.296 175.800 0.090 0.000 1.103 233 F CA 1.411 59.271 58.000 -0.234 0.000 1.248 233 F CB -0.589 37.871 39.000 -0.899 0.000 0.999 233 F HN -0.169 nan 8.300 nan 0.000 0.475 234 V N -0.041 119.935 119.914 0.103 0.000 2.287 234 V HA -0.338 3.781 4.120 -0.001 0.000 0.248 234 V C 2.353 178.506 176.094 0.099 0.000 1.053 234 V CA 2.427 64.784 62.300 0.094 0.000 1.027 234 V CB -1.452 30.472 31.823 0.169 0.000 0.646 234 V HN 0.409 nan 8.190 nan 0.000 0.447 235 T N 0.641 115.260 114.554 0.107 0.000 2.685 235 T HA -0.288 4.061 4.350 -0.001 0.000 0.268 235 T C 2.016 176.694 174.700 -0.036 0.000 1.034 235 T CA 1.984 64.111 62.100 0.046 0.000 1.149 235 T CB -0.513 68.408 68.868 0.089 0.000 0.860 235 T HN 0.614 nan 8.240 nan 0.000 0.449 236 A N 0.033 122.875 122.820 0.036 0.000 1.930 236 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 236 A C 2.059 179.532 177.584 -0.186 0.000 1.175 236 A CA 1.189 53.194 52.037 -0.053 0.000 0.627 236 A CB -1.039 17.977 19.000 0.026 0.000 0.815 236 A HN 0.695 nan 8.150 nan 0.000 0.443 237 W N 0.277 121.495 121.300 -0.136 0.000 2.388 237 W HA -0.072 4.588 4.660 -0.001 0.000 0.294 237 W C 2.057 178.568 176.519 -0.013 0.000 1.212 237 W CA 0.942 58.216 57.345 -0.120 0.000 1.271 237 W CB -0.291 29.038 29.460 -0.219 0.000 1.126 237 W HN 0.210 nan 8.180 nan 0.000 0.535 238 L N -0.276 121.105 121.223 0.263 0.000 2.017 238 L HA -0.247 4.092 4.340 -0.001 0.000 0.208 238 L C 2.171 179.202 176.870 0.268 0.000 1.073 238 L CA 1.347 56.400 54.840 0.355 0.000 0.745 238 L CB -1.188 41.012 42.059 0.236 0.000 0.894 238 L HN 0.020 nan 8.230 nan 0.000 0.432 239 I N 0.026 120.636 120.570 0.068 0.000 2.194 239 I HA -0.339 3.830 4.170 -0.001 0.000 0.246 239 I C 2.545 178.713 176.117 0.084 0.000 1.093 239 I CA 1.463 62.771 61.300 0.013 0.000 1.355 239 I CB -0.256 37.641 38.000 -0.170 0.000 1.046 239 I HN 0.263 nan 8.210 nan 0.000 0.413 240 L N -0.348 120.914 121.223 0.066 0.000 2.093 240 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 240 L C 2.493 179.442 176.870 0.131 0.000 1.085 240 L CA 0.921 55.801 54.840 0.066 0.000 0.755 240 L CB -0.398 41.663 42.059 0.004 0.000 0.904 240 L HN 0.309 nan 8.230 nan 0.000 0.435 241 L N -0.336 120.995 121.223 0.180 0.000 2.162 241 L HA 0.051 4.390 4.340 -0.001 0.000 0.205 241 L C 2.457 179.542 176.870 0.358 0.000 1.086 241 L CA 1.711 56.657 54.840 0.178 0.000 0.778 241 L CB -0.502 41.503 42.059 -0.091 0.000 0.928 241 L HN 0.071 nan 8.230 nan 0.000 0.446 242 A N -0.839 122.255 122.820 0.457 0.000 1.874 242 A HA -0.010 4.310 4.320 -0.001 0.000 0.214 242 A C 2.039 179.865 177.584 0.404 0.000 1.189 242 A CA 1.142 53.468 52.037 0.483 0.000 0.615 242 A CB -0.664 18.537 19.000 0.335 0.000 0.830 242 A HN 0.331 nan 8.150 nan 0.000 0.443 243 L N -0.209 121.187 121.223 0.288 0.000 2.141 243 L HA -0.066 4.273 4.340 -0.001 0.000 0.209 243 L C -0.554 176.352 176.870 0.060 0.000 1.094 243 L CA 1.870 56.799 54.840 0.148 0.000 0.763 243 L CB -2.240 39.886 42.059 0.110 0.000 0.908 243 L HN 0.219 nan 8.230 nan 0.000 0.437 244 P HA -0.094 nan 4.420 nan 0.000 0.217 244 P C 2.157 179.480 177.300 0.039 0.000 1.150 244 P CA 0.873 64.009 63.100 0.060 0.000 0.832 244 P CB 0.139 31.880 31.700 0.068 0.000 0.787 245 V N -0.303 119.662 119.914 0.085 0.000 2.343 245 V HA -0.219 3.901 4.120 -0.001 0.000 0.247 245 V C 2.387 178.461 176.094 -0.033 0.000 1.051 245 V CA 1.594 63.924 62.300 0.051 0.000 1.036 245 V CB -1.269 30.670 31.823 0.192 0.000 0.654 245 V HN 0.062 nan 8.190 nan 0.000 0.451 246 L N 1.068 122.244 121.223 -0.079 0.000 2.046 246 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 246 L C 2.464 179.172 176.870 -0.271 0.000 1.077 246 L CA 2.374 57.023 54.840 -0.318 0.000 0.747 246 L CB -0.991 40.584 42.059 -0.806 0.000 0.896 246 L HN 0.215 nan 8.230 nan 0.000 0.432 247 A N -0.365 122.352 122.820 -0.171 0.000 1.908 247 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 247 A C 2.354 179.941 177.584 0.005 0.000 1.181 247 A CA 1.787 53.785 52.037 -0.066 0.000 0.627 247 A CB -1.691 17.362 19.000 0.088 0.000 0.818 247 A HN 0.557 nan 8.150 nan 0.000 0.445 248 G N -0.475 108.310 108.800 -0.026 0.000 2.480 248 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.216 248 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.216 248 G C 1.838 176.708 174.900 -0.050 0.000 1.200 248 G CA 1.908 46.983 45.100 -0.043 0.000 0.782 248 G HN 0.909 nan 8.290 nan 0.000 0.554 249 A N 1.249 124.022 122.820 -0.078 0.000 1.892 249 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 249 A C 2.479 180.143 177.584 0.133 0.000 1.188 249 A CA 2.065 54.090 52.037 -0.019 0.000 0.631 249 A CB -0.557 18.276 19.000 -0.278 0.000 0.822 249 A HN 0.864 nan 8.150 nan 0.000 0.447 250 I N -3.566 117.002 120.570 -0.004 0.000 2.761 250 I HA -0.061 4.109 4.170 -0.001 0.000 0.261 250 I C 1.935 178.091 176.117 0.065 0.000 1.198 250 I CA 1.764 63.060 61.300 -0.007 0.000 1.482 250 I CB -0.823 37.034 38.000 -0.238 0.000 1.100 250 I HN 0.099 nan 8.210 nan 0.000 0.445 251 T N 1.560 116.186 114.554 0.119 0.000 2.812 251 T HA 0.002 4.352 4.350 -0.001 0.000 0.264 251 T C 1.940 176.727 174.700 0.144 0.000 1.042 251 T CA 1.701 63.919 62.100 0.198 0.000 1.140 251 T CB -0.231 68.749 68.868 0.187 0.000 0.870 251 T HN 0.318 nan 8.240 nan 0.000 0.445 252 M N 0.663 120.299 119.600 0.060 0.000 2.149 252 M HA -0.039 4.440 4.480 -0.001 0.000 0.261 252 M C 2.153 178.594 176.300 0.234 0.000 1.064 252 M CA 1.517 56.805 55.300 -0.020 0.000 1.102 252 M CB -0.671 31.742 32.600 -0.311 0.000 1.369 252 M HN 0.206 nan 8.290 nan 0.000 0.408 253 L N -0.435 120.974 121.223 0.311 0.000 2.046 253 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 253 L C 2.479 179.424 176.870 0.125 0.000 1.077 253 L CA 0.853 55.828 54.840 0.224 0.000 0.747 253 L CB -0.628 41.478 42.059 0.079 0.000 0.896 253 L HN 0.292 nan 8.230 nan 0.000 0.432 254 L N -0.184 121.107 121.223 0.112 0.000 2.093 254 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 254 L C 2.721 179.679 176.870 0.147 0.000 1.085 254 L CA 2.176 57.061 54.840 0.076 0.000 0.755 254 L CB -0.488 41.632 42.059 0.102 0.000 0.904 254 L HN 0.416 nan 8.230 nan 0.000 0.435 255 T N -5.198 109.523 114.554 0.279 0.000 2.942 255 T HA -0.104 4.246 4.350 -0.001 0.000 0.265 255 T C 1.614 176.433 174.700 0.197 0.000 1.062 255 T CA 1.038 63.370 62.100 0.385 0.000 1.139 255 T CB -0.488 68.641 68.868 0.434 0.000 0.883 255 T HN 0.196 nan 8.240 nan 0.000 0.468 256 D N 1.245 121.743 120.400 0.163 0.000 2.178 256 D HA 0.021 4.660 4.640 -0.001 0.000 0.201 256 D C 2.470 178.786 176.300 0.026 0.000 0.980 256 D CA 0.766 54.815 54.000 0.080 0.000 0.842 256 D CB -0.106 40.767 40.800 0.121 0.000 0.948 256 D HN 0.460 nan 8.370 nan 0.000 0.472 257 R N -0.208 120.294 120.500 0.003 0.000 2.075 257 R HA 0.110 4.450 4.340 -0.001 0.000 0.226 257 R C 1.331 177.551 176.300 -0.132 0.000 1.114 257 R CA 0.841 56.909 56.100 -0.054 0.000 0.972 257 R CB 0.041 30.300 30.300 -0.067 0.000 0.869 257 R HN 0.184 nan 8.270 nan 0.000 0.437 258 N N -0.867 117.678 118.700 -0.258 0.000 2.382 258 N HA 0.066 4.805 4.740 -0.001 0.000 0.200 258 N C 0.121 175.248 175.510 -0.639 0.000 1.122 258 N CA 0.513 53.229 53.050 -0.557 0.000 0.870 258 N CB 0.693 38.623 38.487 -0.929 0.000 1.176 258 N HN 0.059 nan 8.380 nan 0.000 0.474 259 F N 0.519 120.484 119.950 0.025 0.000 2.805 259 F HA 0.410 4.936 4.527 -0.001 0.000 0.317 259 F C 1.328 177.120 175.800 -0.013 0.000 1.146 259 F CA -0.773 57.235 58.000 0.014 0.000 1.265 259 F CB 0.281 39.299 39.000 0.030 0.000 0.992 259 F HN -0.075 nan 8.300 nan 0.000 0.511 260 G N 1.603 110.443 108.800 0.067 0.000 2.321 260 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.287 260 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.287 260 G C 0.450 175.326 174.900 -0.039 0.000 1.018 260 G CA 0.712 45.818 45.100 0.010 0.000 0.855 260 G HN 0.525 nan 8.290 nan 0.000 0.507 261 T N -2.760 111.760 114.554 -0.057 0.000 2.849 261 T HA 0.602 4.951 4.350 -0.001 0.000 0.284 261 T C 0.938 175.476 174.700 -0.271 0.000 1.004 261 T CA 0.541 62.484 62.100 -0.263 0.000 1.021 261 T CB 1.785 70.416 68.868 -0.394 0.000 1.013 261 T HN 1.041 nan 8.240 nan 0.000 0.527 262 T N -1.316 112.983 114.554 -0.426 0.000 3.533 262 T HA 0.305 4.654 4.350 -0.001 0.000 0.275 262 T C 0.594 175.126 174.700 -0.280 0.000 1.000 262 T CA -0.670 61.278 62.100 -0.253 0.000 1.015 262 T CB -0.843 67.934 68.868 -0.153 0.000 1.153 262 T HN 0.416 nan 8.240 nan 0.000 0.504 263 F N 1.008 120.769 119.950 -0.316 0.000 2.154 263 F HA 0.092 4.618 4.527 -0.001 0.000 0.301 263 F C 1.191 176.735 175.800 -0.428 0.000 1.087 263 F CA 1.179 58.851 58.000 -0.547 0.000 1.274 263 F CB -0.478 37.856 39.000 -1.111 0.000 1.009 263 F HN 0.383 nan 8.300 nan 0.000 0.485 264 F N -1.348 118.721 119.950 0.199 0.000 2.729 264 F HA 0.265 4.791 4.527 -0.001 0.000 0.315 264 F C 0.139 175.975 175.800 0.060 0.000 1.102 264 F CA -0.728 57.342 58.000 0.117 0.000 1.204 264 F CB -0.478 38.571 39.000 0.082 0.000 1.052 264 F HN -0.242 nan 8.300 nan 0.000 0.551 265 Q N 1.551 121.442 119.800 0.150 0.000 2.340 265 Q HA 0.305 4.644 4.340 -0.001 0.000 0.259 265 Q C -2.070 173.968 176.000 0.063 0.000 0.964 265 Q CA -2.093 53.763 55.803 0.088 0.000 0.900 265 Q CB 1.531 30.294 28.738 0.041 0.000 1.228 265 Q HN 0.050 nan 8.270 nan 0.000 0.449 266 P HA -0.178 nan 4.420 nan 0.000 0.218 266 P C 1.310 178.630 177.300 0.033 0.000 1.148 266 P CA 1.445 64.579 63.100 0.056 0.000 0.822 266 P CB 0.270 32.004 31.700 0.057 0.000 0.784 267 S N -1.419 114.296 115.700 0.025 0.000 2.507 267 S HA 0.004 4.473 4.470 -0.001 0.000 0.235 267 S C 1.844 176.444 174.600 -0.000 0.000 0.988 267 S CA 1.111 59.319 58.200 0.013 0.000 0.944 267 S CB -1.372 61.835 63.200 0.011 0.000 0.762 267 S HN 0.223 nan 8.310 nan 0.000 0.526 268 G N -0.662 108.134 108.800 -0.008 0.000 3.324 268 G HA2 0.495 4.455 3.960 -0.001 0.000 0.251 268 G HA3 0.495 4.455 3.960 -0.001 0.000 0.251 268 G C 0.900 175.781 174.900 -0.032 0.000 1.072 268 G CA -0.047 45.034 45.100 -0.032 0.000 0.787 268 G HN 1.262 nan 8.290 nan 0.000 0.537 269 G N -1.002 107.796 108.800 -0.004 0.000 2.175 269 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.244 269 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.244 269 G C 0.789 175.706 174.900 0.029 0.000 0.982 269 G CA 0.189 45.293 45.100 0.008 0.000 0.641 269 G HN 1.041 nan 8.290 nan 0.000 0.527 270 G N -0.668 108.153 108.800 0.035 0.000 2.580 270 G HA2 0.505 4.464 3.960 -0.001 0.000 0.278 270 G HA3 0.505 4.464 3.960 -0.001 0.000 0.278 270 G C -0.870 174.114 174.900 0.141 0.000 1.212 270 G CA 0.509 45.661 45.100 0.086 0.000 0.939 270 G HN 0.413 nan 8.290 nan 0.000 0.513 271 D N -0.470 120.064 120.400 0.224 0.000 2.575 271 D HA 0.384 5.023 4.640 -0.001 0.000 0.250 271 D C -1.840 174.633 176.300 0.289 0.000 1.279 271 D CA -1.958 52.173 54.000 0.218 0.000 0.925 271 D CB 2.250 43.163 40.800 0.189 0.000 1.261 271 D HN -0.038 nan 8.370 nan 0.000 0.567 272 P HA -0.116 nan 4.420 nan 0.000 0.219 272 P C 1.433 178.718 177.300 -0.025 0.000 1.146 272 P CA 0.491 63.638 63.100 0.078 0.000 0.808 272 P CB 0.424 32.148 31.700 0.039 0.000 0.779 273 V N -0.626 119.313 119.914 0.041 0.000 2.759 273 V HA -0.177 3.942 4.120 -0.001 0.000 0.256 273 V C 2.306 178.451 176.094 0.085 0.000 1.080 273 V CA 1.080 63.387 62.300 0.011 0.000 1.101 273 V CB -1.141 30.716 31.823 0.056 0.000 0.698 273 V HN 0.073 nan 8.190 nan 0.000 0.477 274 L N -0.008 121.332 121.223 0.196 0.000 2.042 274 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 274 L C 2.311 179.256 176.870 0.125 0.000 1.076 274 L CA 2.230 57.235 54.840 0.274 0.000 0.749 274 L CB -0.904 41.385 42.059 0.382 0.000 0.893 274 L HN 0.469 nan 8.230 nan 0.000 0.432 275 Y N 0.125 120.230 120.300 -0.326 0.000 2.165 275 Y HA -0.317 4.232 4.550 -0.001 0.000 0.286 275 Y C 2.545 178.181 175.900 -0.440 0.000 1.155 275 Y CA 2.228 59.891 58.100 -0.728 0.000 1.164 275 Y CB -0.247 37.293 38.460 -1.534 0.000 0.978 275 Y HN 0.392 nan 8.280 nan 0.000 0.513 276 Q N -1.056 118.536 119.800 -0.346 0.000 2.084 276 Q HA -0.235 4.104 4.340 -0.001 0.000 0.202 276 Q C 2.110 178.042 176.000 -0.115 0.000 0.978 276 Q CA 1.518 57.123 55.803 -0.332 0.000 0.844 276 Q CB -0.322 28.259 28.738 -0.262 0.000 0.898 276 Q HN 0.631 nan 8.270 nan 0.000 0.426 277 H N 0.274 119.354 119.070 0.016 0.000 2.319 277 H HA -0.120 4.435 4.556 -0.001 0.000 0.299 277 H C 2.143 177.372 175.328 -0.165 0.000 1.092 277 H CA 1.443 57.556 56.048 0.108 0.000 1.302 277 H CB -0.103 29.756 29.762 0.163 0.000 1.373 277 H HN 0.266 nan 8.280 nan 0.000 0.497 278 I N 0.330 120.822 120.570 -0.130 0.000 2.233 278 I HA -0.219 3.950 4.170 -0.001 0.000 0.243 278 I C 2.780 178.727 176.117 -0.283 0.000 1.093 278 I CA 0.394 61.555 61.300 -0.230 0.000 1.380 278 I CB -0.211 37.652 38.000 -0.228 0.000 1.067 278 I HN 0.154 nan 8.210 nan 0.000 0.413 279 L N 0.687 121.549 121.223 -0.602 0.000 1.990 279 L HA -0.246 4.093 4.340 -0.001 0.000 0.213 279 L C 2.249 178.875 176.870 -0.408 0.000 1.072 279 L CA 2.512 56.936 54.840 -0.693 0.000 0.755 279 L CB -0.952 40.363 42.059 -1.240 0.000 0.889 279 L HN 0.355 nan 8.230 nan 0.000 0.432 280 W N -1.419 119.788 121.300 -0.156 0.000 2.519 280 W HA -0.187 4.472 4.660 -0.001 0.000 0.266 280 W C 2.363 178.856 176.519 -0.042 0.000 1.253 280 W CA 0.144 57.436 57.345 -0.087 0.000 1.274 280 W CB -0.463 29.016 29.460 0.032 0.000 1.114 280 W HN 0.118 nan 8.180 nan 0.000 0.596 281 F N 0.085 119.943 119.950 -0.153 0.000 2.161 281 F HA -0.243 4.283 4.527 -0.001 0.000 0.300 281 F C 2.240 178.014 175.800 -0.043 0.000 1.089 281 F CA 1.793 59.627 58.000 -0.277 0.000 1.282 281 F CB -0.580 38.110 39.000 -0.517 0.000 1.010 281 F HN -0.026 nan 8.300 nan 0.000 0.485 282 F N 0.127 120.067 119.950 -0.018 0.000 2.234 282 F HA 0.157 4.683 4.527 -0.001 0.000 0.296 282 F C 2.166 177.898 175.800 -0.114 0.000 1.089 282 F CA 1.403 59.362 58.000 -0.069 0.000 1.343 282 F CB -1.003 37.957 39.000 -0.066 0.000 1.040 282 F HN -0.099 nan 8.300 nan 0.000 0.498 283 G N -0.815 107.743 108.800 -0.403 0.000 2.408 283 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.217 283 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.217 283 G C 1.382 176.135 174.900 -0.246 0.000 1.150 283 G CA 1.050 45.870 45.100 -0.468 0.000 0.776 283 G HN 0.548 nan 8.290 nan 0.000 0.542 284 H N 1.611 120.649 119.070 -0.053 0.000 2.276 284 H HA -0.007 4.549 4.556 -0.001 0.000 0.301 284 H C 0.166 175.407 175.328 -0.146 0.000 1.073 284 H CA 1.736 57.797 56.048 0.022 0.000 1.311 284 H CB -0.469 29.397 29.762 0.172 0.000 1.379 284 H HN 0.235 nan 8.280 nan 0.000 0.494 285 P HA -0.226 nan 4.420 nan 0.000 0.217 285 P C 1.189 178.271 177.300 -0.364 0.000 1.151 285 P CA 2.181 65.063 63.100 -0.364 0.000 0.849 285 P CB -0.084 31.090 31.700 -0.877 0.000 0.787 286 E N 0.179 120.003 120.200 -0.627 0.000 2.114 286 E HA -0.218 4.131 4.350 -0.001 0.000 0.199 286 E C 1.632 177.942 176.600 -0.484 0.000 1.008 286 E CA 2.164 58.178 56.400 -0.643 0.000 0.810 286 E CB -1.181 27.906 29.700 -1.022 0.000 0.739 286 E HN 0.203 nan 8.360 nan 0.000 0.456 287 V N -1.743 117.842 119.914 -0.548 0.000 2.719 287 V HA -0.074 4.046 4.120 -0.001 0.000 0.252 287 V C 1.833 177.569 176.094 -0.597 0.000 1.065 287 V CA 1.348 63.283 62.300 -0.608 0.000 1.086 287 V CB -1.013 30.374 31.823 -0.727 0.000 0.700 287 V HN 0.238 nan 8.190 nan 0.000 0.467 288 Y N 0.498 120.655 120.300 -0.238 0.000 2.395 288 Y HA 0.214 4.763 4.550 -0.001 0.000 0.293 288 Y C 2.282 178.076 175.900 -0.176 0.000 1.123 288 Y CA 1.256 59.270 58.100 -0.142 0.000 1.227 288 Y CB -0.524 37.920 38.460 -0.025 0.000 1.012 288 Y HN 0.194 nan 8.280 nan 0.000 0.552 289 I N -0.422 120.083 120.570 -0.110 0.000 2.226 289 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 289 I C 2.064 178.067 176.117 -0.190 0.000 1.100 289 I CA 1.392 62.593 61.300 -0.165 0.000 1.374 289 I CB -0.372 37.493 38.000 -0.225 0.000 1.057 289 I HN 0.160 nan 8.210 nan 0.000 0.413 290 I N -0.385 120.041 120.570 -0.241 0.000 2.163 290 I HA -0.281 3.889 4.170 -0.001 0.000 0.243 290 I C 2.505 178.508 176.117 -0.191 0.000 1.085 290 I CA 1.363 62.529 61.300 -0.223 0.000 1.347 290 I CB -0.310 37.520 38.000 -0.283 0.000 1.044 290 I HN 0.066 nan 8.210 nan 0.000 0.408 291 V N 0.677 120.435 119.914 -0.259 0.000 2.878 291 V HA -0.084 4.035 4.120 -0.001 0.000 0.250 291 V C 2.207 177.944 176.094 -0.595 0.000 1.075 291 V CA 0.941 63.013 62.300 -0.381 0.000 1.096 291 V CB 0.126 31.695 31.823 -0.424 0.000 0.724 291 V HN 0.280 nan 8.190 nan 0.000 0.467 292 L N 0.543 121.527 121.223 -0.399 0.000 2.012 292 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 292 L C -0.060 176.803 176.870 -0.010 0.000 1.073 292 L CA 2.062 56.771 54.840 -0.218 0.000 0.748 292 L CB -1.832 40.233 42.059 0.011 0.000 0.891 292 L HN 0.351 nan 8.230 nan 0.000 0.431 293 P HA -0.143 nan 4.420 nan 0.000 0.220 293 P C 1.305 178.745 177.300 0.233 0.000 1.148 293 P CA 1.570 64.757 63.100 0.145 0.000 0.803 293 P CB -0.009 31.813 31.700 0.203 0.000 0.782 294 A N -1.294 121.564 122.820 0.064 0.000 1.930 294 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 294 A C 1.857 179.407 177.584 -0.057 0.000 1.175 294 A CA 1.123 53.144 52.037 -0.026 0.000 0.627 294 A CB -1.595 17.363 19.000 -0.069 0.000 0.815 294 A HN 0.015 nan 8.150 nan 0.000 0.443 295 F N 0.596 120.515 119.950 -0.052 0.000 2.095 295 F HA -0.096 4.431 4.527 -0.001 0.000 0.298 295 F C 2.666 178.582 175.800 0.193 0.000 1.104 295 F CA 0.603 58.656 58.000 0.088 0.000 1.232 295 F CB -1.512 37.672 39.000 0.307 0.000 0.987 295 F HN 0.275 nan 8.300 nan 0.000 0.475 296 G N 0.262 109.328 108.800 0.444 0.000 2.446 296 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.217 296 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.217 296 G C 1.905 177.009 174.900 0.340 0.000 1.168 296 G CA 1.035 46.422 45.100 0.477 0.000 0.771 296 G HN 0.370 nan 8.290 nan 0.000 0.551 297 I N 0.250 120.936 120.570 0.193 0.000 2.252 297 I HA -0.145 4.024 4.170 -0.001 0.000 0.245 297 I C 2.770 178.694 176.117 -0.322 0.000 1.102 297 I CA 0.395 61.574 61.300 -0.202 0.000 1.385 297 I CB -0.220 37.595 38.000 -0.309 0.000 1.064 297 I HN 0.032 nan 8.210 nan 0.000 0.414 298 V N 0.094 119.789 119.914 -0.365 0.000 2.295 298 V HA -0.290 3.829 4.120 -0.001 0.000 0.246 298 V C 2.556 178.428 176.094 -0.370 0.000 1.049 298 V CA 2.135 64.075 62.300 -0.600 0.000 1.024 298 V CB -0.582 30.531 31.823 -1.183 0.000 0.648 298 V HN 0.373 nan 8.190 nan 0.000 0.447 299 S N -1.338 114.396 115.700 0.055 0.000 2.359 299 S HA -0.262 4.207 4.470 -0.001 0.000 0.223 299 S C 1.824 176.571 174.600 0.244 0.000 1.039 299 S CA 1.820 60.265 58.200 0.409 0.000 1.042 299 S CB -0.502 63.066 63.200 0.613 0.000 0.915 299 S HN 0.702 nan 8.310 nan 0.000 0.439 300 H N -0.268 118.805 119.070 0.006 0.000 2.353 300 H HA -0.045 4.511 4.556 -0.001 0.000 0.300 300 H C 2.234 177.328 175.328 -0.391 0.000 1.090 300 H CA 1.522 57.523 56.048 -0.079 0.000 1.327 300 H CB -0.184 29.577 29.762 -0.002 0.000 1.383 300 H HN 0.213 nan 8.280 nan 0.000 0.508 301 V N 1.256 120.844 119.914 -0.543 0.000 2.307 301 V HA -0.226 3.893 4.120 -0.001 0.000 0.245 301 V C 2.528 178.461 176.094 -0.269 0.000 1.045 301 V CA 1.486 63.346 62.300 -0.734 0.000 1.024 301 V CB -0.355 31.020 31.823 -0.746 0.000 0.651 301 V HN 0.339 nan 8.190 nan 0.000 0.449 302 I N 0.213 120.669 120.570 -0.191 0.000 2.286 302 I HA -0.179 3.990 4.170 -0.001 0.000 0.245 302 I C 2.694 178.802 176.117 -0.016 0.000 1.104 302 I CA 1.245 62.502 61.300 -0.073 0.000 1.397 302 I CB -0.616 37.355 38.000 -0.049 0.000 1.072 302 I HN 0.287 nan 8.210 nan 0.000 0.417 303 A N 0.714 123.534 122.820 -0.000 0.000 1.892 303 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 303 A C 2.388 179.928 177.584 -0.073 0.000 1.188 303 A CA 2.707 54.749 52.037 0.008 0.000 0.631 303 A CB -1.173 17.849 19.000 0.037 0.000 0.822 303 A HN 0.381 nan 8.150 nan 0.000 0.447 304 T N -0.896 113.559 114.554 -0.166 0.000 2.708 304 T HA -0.088 4.261 4.350 -0.001 0.000 0.266 304 T C 1.362 175.779 174.700 -0.471 0.000 1.037 304 T CA 1.721 63.614 62.100 -0.346 0.000 1.146 304 T CB -0.380 68.167 68.868 -0.536 0.000 0.865 304 T HN 0.428 nan 8.240 nan 0.000 0.435 305 F N 0.666 120.484 119.950 -0.221 0.000 2.754 305 F HA 0.433 4.959 4.527 -0.001 0.000 0.297 305 F C 2.215 177.918 175.800 -0.160 0.000 1.122 305 F CA -0.152 57.721 58.000 -0.212 0.000 1.400 305 F CB -0.148 38.682 39.000 -0.284 0.000 1.117 305 F HN 0.104 nan 8.300 nan 0.000 0.587 306 A N -0.146 122.663 122.820 -0.019 0.000 2.251 306 A HA 0.065 4.384 4.320 -0.001 0.000 0.209 306 A C 1.174 178.662 177.584 -0.160 0.000 1.187 306 A CA -0.026 51.979 52.037 -0.053 0.000 0.823 306 A CB -0.491 18.503 19.000 -0.010 0.000 0.846 306 A HN 0.280 nan 8.150 nan 0.000 0.486 307 K N -1.056 119.186 120.400 -0.264 0.000 3.156 307 K HA -0.213 4.106 4.320 -0.001 0.000 0.266 307 K C -0.308 175.770 176.600 -0.870 0.000 0.966 307 K CA 1.358 57.239 56.287 -0.675 0.000 0.719 307 K CB -1.404 30.780 32.500 -0.528 0.000 1.333 307 K HN 0.654 nan 8.250 nan 0.000 0.468 308 K N 0.207 120.389 120.400 -0.364 0.000 2.542 308 K HA 0.352 4.671 4.320 -0.001 0.000 0.259 308 K C -2.869 173.749 176.600 0.029 0.000 0.932 308 K CA -1.830 54.381 56.287 -0.126 0.000 0.820 308 K CB 1.974 34.450 32.500 -0.040 0.000 1.345 308 K HN -0.277 nan 8.250 nan 0.000 0.432 309 P HA 0.065 nan 4.420 nan 0.000 0.271 309 P C -0.208 177.170 177.300 0.130 0.000 1.218 309 P CA -0.412 62.748 63.100 0.100 0.000 0.780 309 P CB 0.510 32.256 31.700 0.077 0.000 0.901 310 I N 3.204 123.868 120.570 0.157 0.000 2.821 310 I HA -0.081 4.088 4.170 -0.001 0.000 0.294 310 I C 0.189 176.438 176.117 0.221 0.000 1.210 310 I CA 0.078 61.510 61.300 0.221 0.000 1.430 310 I CB -0.649 37.505 38.000 0.257 0.000 1.356 310 I HN 0.165 nan 8.210 nan 0.000 0.563 311 F N 8.200 128.209 119.950 0.099 0.000 2.538 311 F HA 0.411 4.938 4.527 -0.001 0.000 0.371 311 F C 1.258 177.082 175.800 0.040 0.000 1.087 311 F CA 0.323 58.363 58.000 0.066 0.000 1.250 311 F CB 0.172 39.207 39.000 0.058 0.000 1.110 311 F HN 0.760 nan 8.300 nan 0.000 0.570 312 G N 6.110 114.778 108.800 -0.221 0.000 2.359 312 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.298 312 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.298 312 G C 0.492 175.418 174.900 0.043 0.000 1.030 312 G CA 0.566 45.618 45.100 -0.081 0.000 1.149 312 G HN 1.059 nan 8.290 nan 0.000 0.512 313 Y N -0.162 120.113 120.300 -0.041 0.000 2.139 313 Y HA -0.170 4.380 4.550 -0.001 0.000 0.282 313 Y C 2.439 178.315 175.900 -0.038 0.000 1.179 313 Y CA 2.566 60.664 58.100 -0.002 0.000 1.161 313 Y CB -0.182 38.294 38.460 0.026 0.000 0.970 313 Y HN 0.412 nan 8.280 nan 0.000 0.511 314 L N -0.200 121.021 121.223 -0.003 0.000 2.023 314 L HA -0.074 4.266 4.340 -0.001 0.000 0.205 314 L C -0.498 176.259 176.870 -0.189 0.000 1.073 314 L CA 1.250 56.014 54.840 -0.125 0.000 0.745 314 L CB -1.337 40.733 42.059 0.019 0.000 0.900 314 L HN 0.132 nan 8.230 nan 0.000 0.435 315 P HA -0.214 nan 4.420 nan 0.000 0.216 315 P C 1.802 179.001 177.300 -0.169 0.000 1.153 315 P CA 1.456 64.490 63.100 -0.110 0.000 0.858 315 P CB -0.077 31.595 31.700 -0.047 0.000 0.789 316 M N -1.162 118.320 119.600 -0.197 0.000 2.082 316 M HA -0.129 4.350 4.480 -0.001 0.000 0.258 316 M C 2.060 178.200 176.300 -0.268 0.000 1.069 316 M CA 1.661 56.817 55.300 -0.240 0.000 1.102 316 M CB -1.727 30.747 32.600 -0.209 0.000 1.336 316 M HN -0.144 nan 8.290 nan 0.000 0.404 317 V N -1.352 118.308 119.914 -0.423 0.000 2.295 317 V HA -0.304 3.815 4.120 -0.001 0.000 0.246 317 V C 2.555 178.433 176.094 -0.361 0.000 1.049 317 V CA 1.830 63.799 62.300 -0.553 0.000 1.024 317 V CB -1.257 29.983 31.823 -0.972 0.000 0.648 317 V HN 0.330 nan 8.190 nan 0.000 0.447 318 Y N -0.952 119.178 120.300 -0.284 0.000 2.293 318 Y HA -0.066 4.483 4.550 -0.001 0.000 0.291 318 Y C 2.592 178.420 175.900 -0.120 0.000 1.137 318 Y CA 0.254 58.245 58.100 -0.182 0.000 1.202 318 Y CB -1.161 37.215 38.460 -0.140 0.000 0.990 318 Y HN 0.473 nan 8.280 nan 0.000 0.537 319 A N -0.270 122.479 122.820 -0.120 0.000 1.902 319 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 319 A C 2.194 179.764 177.584 -0.024 0.000 1.181 319 A CA 1.904 53.893 52.037 -0.081 0.000 0.623 319 A CB -0.773 18.153 19.000 -0.123 0.000 0.818 319 A HN 0.584 nan 8.150 nan 0.000 0.443 320 M N -0.683 118.913 119.600 -0.006 0.000 2.213 320 M HA -0.121 4.359 4.480 -0.001 0.000 0.263 320 M C 2.040 178.372 176.300 0.054 0.000 1.062 320 M CA 1.152 56.507 55.300 0.091 0.000 1.105 320 M CB -0.364 32.319 32.600 0.139 0.000 1.385 320 M HN 0.278 nan 8.290 nan 0.000 0.417 321 V N 0.150 120.058 119.914 -0.010 0.000 2.379 321 V HA -0.202 3.918 4.120 -0.001 0.000 0.245 321 V C 2.605 178.689 176.094 -0.015 0.000 1.044 321 V CA 1.944 64.235 62.300 -0.015 0.000 1.036 321 V CB -1.119 30.670 31.823 -0.057 0.000 0.664 321 V HN 0.491 nan 8.190 nan 0.000 0.453 322 A N 0.237 123.040 122.820 -0.029 0.000 1.898 322 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 322 A C 2.152 179.710 177.584 -0.042 0.000 1.181 322 A CA 1.583 53.601 52.037 -0.032 0.000 0.620 322 A CB -0.476 18.502 19.000 -0.036 0.000 0.819 322 A HN 0.377 nan 8.150 nan 0.000 0.442 323 I N 0.230 120.780 120.570 -0.034 0.000 2.118 323 I HA -0.241 3.928 4.170 -0.001 0.000 0.241 323 I C 2.712 178.720 176.117 -0.181 0.000 1.070 323 I CA 1.738 62.978 61.300 -0.100 0.000 1.327 323 I CB -2.037 35.992 38.000 0.049 0.000 1.034 323 I HN 0.358 nan 8.210 nan 0.000 0.405 324 G N 0.549 109.326 108.800 -0.038 0.000 2.440 324 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.218 324 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.218 324 G C 1.848 176.815 174.900 0.112 0.000 1.154 324 G CA 1.108 46.231 45.100 0.038 0.000 0.767 324 G HN 0.294 nan 8.290 nan 0.000 0.552 325 V N 0.904 120.859 119.914 0.068 0.000 2.283 325 V HA -0.067 4.052 4.120 -0.001 0.000 0.243 325 V C 2.881 179.038 176.094 0.105 0.000 1.039 325 V CA 1.375 63.736 62.300 0.102 0.000 1.016 325 V CB -0.520 31.318 31.823 0.026 0.000 0.650 325 V HN 0.325 nan 8.190 nan 0.000 0.449 326 L N 0.829 122.049 121.223 -0.005 0.000 2.191 326 L HA -0.091 4.248 4.340 -0.001 0.000 0.212 326 L C 2.490 179.287 176.870 -0.121 0.000 1.103 326 L CA 1.475 56.286 54.840 -0.048 0.000 0.769 326 L CB -1.009 40.993 42.059 -0.096 0.000 0.908 326 L HN 0.494 nan 8.230 nan 0.000 0.438 327 G N -1.035 107.626 108.800 -0.231 0.000 2.586 327 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.215 327 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.215 327 G C 1.145 175.886 174.900 -0.264 0.000 1.128 327 G CA 0.201 45.093 45.100 -0.346 0.000 0.774 327 G HN 0.296 nan 8.290 nan 0.000 0.543 328 F N -0.315 119.600 119.950 -0.059 0.000 2.721 328 F HA 0.186 4.713 4.527 -0.001 0.000 0.301 328 F C 1.775 177.680 175.800 0.176 0.000 1.096 328 F CA 0.069 58.019 58.000 -0.084 0.000 1.308 328 F CB 1.051 39.988 39.000 -0.106 0.000 1.086 328 F HN 0.075 nan 8.300 nan 0.000 0.587 329 V N -1.936 118.188 119.914 0.351 0.000 3.085 329 V HA 0.278 4.397 4.120 -0.001 0.000 0.345 329 V C 0.435 176.693 176.094 0.273 0.000 1.397 329 V CA 0.369 62.940 62.300 0.452 0.000 1.165 329 V CB -0.221 31.794 31.823 0.320 0.000 1.153 329 V HN 0.034 nan 8.190 nan 0.000 0.495 330 V N -3.787 116.257 119.914 0.218 0.000 3.330 330 V HA 0.305 4.424 4.120 -0.001 0.000 0.309 330 V C 1.594 177.504 176.094 -0.307 0.000 1.481 330 V CA 0.254 62.566 62.300 0.021 0.000 1.068 330 V CB -0.611 31.118 31.823 -0.157 0.000 0.935 330 V HN 0.714 nan 8.190 nan 0.000 0.453 331 W N 2.005 123.235 121.300 -0.117 0.000 2.342 331 W HA 0.077 4.736 4.660 -0.001 0.000 0.297 331 W C 1.867 178.070 176.519 -0.526 0.000 1.213 331 W CA 1.763 58.969 57.345 -0.232 0.000 1.251 331 W CB -0.933 28.573 29.460 0.077 0.000 1.136 331 W HN 0.233 nan 8.180 nan 0.000 0.526 332 A N 1.809 123.704 122.820 -1.543 0.000 2.239 332 A HA -0.151 4.168 4.320 -0.001 0.000 0.209 332 A C 1.819 178.753 177.584 -1.083 0.000 1.171 332 A CA 1.157 52.367 52.037 -1.379 0.000 0.768 332 A CB -1.831 15.937 19.000 -2.053 0.000 0.790 332 A HN 0.797 nan 8.150 nan 0.000 0.478 333 H N -2.823 115.661 119.070 -0.977 0.000 2.545 333 H HA -0.027 4.528 4.556 -0.001 0.000 0.282 333 H C 0.866 175.439 175.328 -1.258 0.000 1.020 333 H CA 0.968 56.185 56.048 -1.384 0.000 1.243 333 H CB -0.347 28.938 29.762 -0.795 0.000 1.377 333 H HN 0.660 nan 8.280 nan 0.000 0.581 334 H N 0.427 119.066 119.070 -0.719 0.000 2.539 334 H HA 0.176 4.731 4.556 -0.001 0.000 0.267 334 H C 0.722 175.646 175.328 -0.673 0.000 0.982 334 H CA 0.418 55.959 56.048 -0.846 0.000 1.146 334 H CB 0.465 29.118 29.762 -1.848 0.000 1.382 334 H HN 0.503 nan 8.280 nan 0.000 0.577 335 M N -0.646 118.622 119.600 -0.552 0.000 2.511 335 M HA 0.084 4.563 4.480 -0.001 0.000 0.387 335 M C 0.444 176.603 176.300 -0.236 0.000 1.112 335 M CA -0.217 54.877 55.300 -0.344 0.000 0.921 335 M CB 0.629 33.041 32.600 -0.312 0.000 1.501 335 M HN -0.043 nan 8.290 nan 0.000 0.538 336 Y N 0.960 121.099 120.300 -0.268 0.000 2.256 336 Y HA -0.159 4.390 4.550 -0.001 0.000 0.288 336 Y C 2.824 178.625 175.900 -0.166 0.000 1.155 336 Y CA 1.844 59.830 58.100 -0.190 0.000 1.203 336 Y CB -1.039 37.326 38.460 -0.160 0.000 0.980 336 Y HN 0.373 nan 8.280 nan 0.000 0.530 337 T N -3.874 110.623 114.554 -0.096 0.000 3.105 337 T HA 0.454 4.803 4.350 -0.001 0.000 0.253 337 T C 1.461 176.149 174.700 -0.020 0.000 1.047 337 T CA 0.315 62.380 62.100 -0.058 0.000 0.944 337 T CB -0.128 68.701 68.868 -0.065 0.000 1.016 337 T HN 0.173 nan 8.240 nan 0.000 0.544 338 A N 0.835 123.636 122.820 -0.032 0.000 2.307 338 A HA 0.667 4.986 4.320 -0.001 0.000 0.218 338 A C 1.622 179.222 177.584 0.027 0.000 1.228 338 A CA 0.057 52.099 52.037 0.008 0.000 0.857 338 A CB -0.901 18.090 19.000 -0.014 0.000 0.897 338 A HN 1.395 nan 8.150 nan 0.000 0.495 339 G N -0.446 108.375 108.800 0.035 0.000 2.270 339 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.224 339 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.224 339 G C -0.203 174.740 174.900 0.073 0.000 1.079 339 G CA -0.077 45.055 45.100 0.054 0.000 0.807 339 G HN 0.371 nan 8.290 nan 0.000 0.492 340 L N 1.135 122.403 121.223 0.074 0.000 2.399 340 L HA 0.581 4.920 4.340 -0.001 0.000 0.266 340 L C 1.612 178.542 176.870 0.099 0.000 1.114 340 L CA -0.183 54.723 54.840 0.109 0.000 0.804 340 L CB 1.292 43.424 42.059 0.121 0.000 1.146 340 L HN 0.556 nan 8.230 nan 0.000 0.451 341 S N 1.330 117.097 115.700 0.111 0.000 2.589 341 S HA 0.033 4.503 4.470 -0.001 0.000 0.265 341 S C 0.869 175.518 174.600 0.081 0.000 1.342 341 S CA -0.616 57.636 58.200 0.086 0.000 1.005 341 S CB 0.867 64.118 63.200 0.085 0.000 0.909 341 S HN 0.563 nan 8.310 nan 0.000 0.555 342 L N 2.075 123.330 121.223 0.052 0.000 2.127 342 L HA -0.039 4.301 4.340 -0.001 0.000 0.211 342 L C 2.394 179.294 176.870 0.050 0.000 1.089 342 L CA 2.256 57.117 54.840 0.034 0.000 0.757 342 L CB -1.746 40.323 42.059 0.016 0.000 0.899 342 L HN 0.983 nan 8.230 nan 0.000 0.434 343 T N -0.795 113.796 114.554 0.063 0.000 2.643 343 T HA -0.223 4.126 4.350 -0.001 0.000 0.264 343 T C 1.798 176.575 174.700 0.129 0.000 1.045 343 T CA 1.823 63.966 62.100 0.072 0.000 1.155 343 T CB -0.188 68.713 68.868 0.055 0.000 0.863 343 T HN 0.452 nan 8.240 nan 0.000 0.420 344 Q N 0.729 120.634 119.800 0.174 0.000 2.061 344 Q HA -0.176 4.164 4.340 -0.001 0.000 0.204 344 Q C 2.613 178.859 176.000 0.410 0.000 0.984 344 Q CA 1.555 57.549 55.803 0.318 0.000 0.846 344 Q CB -0.206 28.723 28.738 0.320 0.000 0.902 344 Q HN 0.591 nan 8.270 nan 0.000 0.421 345 Q N -0.314 119.642 119.800 0.260 0.000 2.096 345 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 345 Q C 2.292 178.367 176.000 0.124 0.000 0.982 345 Q CA 1.493 57.424 55.803 0.213 0.000 0.850 345 Q CB -0.023 28.731 28.738 0.027 0.000 0.901 345 Q HN 0.248 nan 8.270 nan 0.000 0.422 346 S N 0.133 115.880 115.700 0.078 0.000 2.356 346 S HA -0.180 4.290 4.470 -0.001 0.000 0.223 346 S C 1.633 176.257 174.600 0.041 0.000 1.032 346 S CA 1.278 59.495 58.200 0.029 0.000 1.005 346 S CB -0.432 62.782 63.200 0.024 0.000 0.867 346 S HN 0.471 nan 8.310 nan 0.000 0.449 347 Y N 1.587 121.872 120.300 -0.026 0.000 2.097 347 Y HA -0.173 4.377 4.550 -0.001 0.000 0.282 347 Y C 1.792 177.599 175.900 -0.155 0.000 1.152 347 Y CA 1.410 59.423 58.100 -0.144 0.000 1.136 347 Y CB -0.792 37.496 38.460 -0.287 0.000 0.975 347 Y HN 0.196 nan 8.280 nan 0.000 0.498 348 F N 0.122 119.834 119.950 -0.396 0.000 2.234 348 F HA -0.219 4.307 4.527 -0.001 0.000 0.299 348 F C 2.734 178.403 175.800 -0.219 0.000 1.087 348 F CA 1.744 59.452 58.000 -0.488 0.000 1.340 348 F CB -0.614 38.256 39.000 -0.216 0.000 1.031 348 F HN 0.209 nan 8.300 nan 0.000 0.500 349 M N -0.367 119.307 119.600 0.123 0.000 2.086 349 M HA -0.269 4.211 4.480 -0.001 0.000 0.261 349 M C 2.081 178.347 176.300 -0.058 0.000 1.067 349 M CA 1.914 57.258 55.300 0.073 0.000 1.116 349 M CB -0.184 32.394 32.600 -0.037 0.000 1.348 349 M HN 0.160 nan 8.290 nan 0.000 0.407 350 M N -0.082 119.437 119.600 -0.135 0.000 2.132 350 M HA -0.078 4.401 4.480 -0.001 0.000 0.263 350 M C 2.434 178.627 176.300 -0.179 0.000 1.065 350 M CA 1.572 56.792 55.300 -0.133 0.000 1.122 350 M CB -0.661 31.878 32.600 -0.102 0.000 1.365 350 M HN 0.527 nan 8.290 nan 0.000 0.411 351 A N 0.097 122.702 122.820 -0.359 0.000 1.940 351 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 351 A C 2.202 179.675 177.584 -0.184 0.000 1.176 351 A CA 2.280 54.111 52.037 -0.344 0.000 0.631 351 A CB -1.163 17.407 19.000 -0.717 0.000 0.814 351 A HN 0.457 nan 8.150 nan 0.000 0.446 352 T N 0.032 114.509 114.554 -0.129 0.000 2.708 352 T HA -0.147 4.202 4.350 -0.001 0.000 0.266 352 T C 1.939 176.619 174.700 -0.032 0.000 1.037 352 T CA 1.731 63.821 62.100 -0.017 0.000 1.146 352 T CB -0.325 68.602 68.868 0.098 0.000 0.865 352 T HN 0.459 nan 8.240 nan 0.000 0.435 353 M N 0.695 120.267 119.600 -0.047 0.000 2.106 353 M HA -0.123 4.357 4.480 -0.001 0.000 0.259 353 M C 2.396 178.676 176.300 -0.033 0.000 1.068 353 M CA 1.272 56.547 55.300 -0.041 0.000 1.100 353 M CB -0.740 31.834 32.600 -0.045 0.000 1.351 353 M HN 0.095 nan 8.290 nan 0.000 0.404 354 V N 0.661 120.548 119.914 -0.044 0.000 2.546 354 V HA -0.279 3.840 4.120 -0.001 0.000 0.254 354 V C 2.103 178.183 176.094 -0.024 0.000 1.076 354 V CA 1.699 63.978 62.300 -0.035 0.000 1.087 354 V CB -0.695 31.102 31.823 -0.044 0.000 0.674 354 V HN 0.460 nan 8.190 nan 0.000 0.470 355 I N 0.293 120.850 120.570 -0.020 0.000 2.493 355 I HA -0.196 3.974 4.170 -0.001 0.000 0.254 355 I C 2.539 178.679 176.117 0.039 0.000 1.160 355 I CA 1.126 62.427 61.300 0.001 0.000 1.445 355 I CB -0.451 37.557 38.000 0.013 0.000 1.086 355 I HN 0.287 nan 8.210 nan 0.000 0.433 356 A N 0.305 123.140 122.820 0.025 0.000 2.024 356 A HA -0.153 4.166 4.320 -0.001 0.000 0.220 356 A C 2.370 179.955 177.584 0.002 0.000 1.164 356 A CA 1.708 53.755 52.037 0.018 0.000 0.643 356 A CB -0.762 18.236 19.000 -0.003 0.000 0.806 356 A HN 0.265 nan 8.150 nan 0.000 0.451 357 V N 0.499 120.414 119.914 0.001 0.000 2.229 357 V HA -0.129 3.990 4.120 -0.001 0.000 0.243 357 V C -0.098 175.986 176.094 -0.016 0.000 1.042 357 V CA 2.215 64.516 62.300 0.001 0.000 1.000 357 V CB -1.683 30.142 31.823 0.002 0.000 0.637 357 V HN 0.380 nan 8.190 nan 0.000 0.446 358 P HA -0.095 nan 4.420 nan 0.000 0.218 358 P C 1.734 178.993 177.300 -0.068 0.000 1.149 358 P CA 1.573 64.650 63.100 -0.040 0.000 0.817 358 P CB -0.254 31.431 31.700 -0.024 0.000 0.785 359 T N -0.837 113.708 114.554 -0.015 0.000 2.737 359 T HA -0.080 4.269 4.350 -0.001 0.000 0.265 359 T C 2.087 176.693 174.700 -0.156 0.000 1.038 359 T CA 1.768 63.864 62.100 -0.008 0.000 1.144 359 T CB -1.313 67.674 68.868 0.198 0.000 0.866 359 T HN 0.176 nan 8.240 nan 0.000 0.434 360 G N 1.416 110.103 108.800 -0.188 0.000 2.440 360 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.218 360 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.218 360 G C 1.534 176.138 174.900 -0.494 0.000 1.154 360 G CA 0.642 45.467 45.100 -0.458 0.000 0.767 360 G HN 0.486 nan 8.290 nan 0.000 0.552 361 I N 0.515 120.975 120.570 -0.183 0.000 2.151 361 I HA -0.236 3.933 4.170 -0.001 0.000 0.243 361 I C 2.866 178.824 176.117 -0.265 0.000 1.080 361 I CA 1.565 62.808 61.300 -0.095 0.000 1.339 361 I CB -0.130 37.832 38.000 -0.064 0.000 1.039 361 I HN 0.153 nan 8.210 nan 0.000 0.409 362 K N 0.326 120.454 120.400 -0.454 0.000 2.026 362 K HA -0.141 4.178 4.320 -0.001 0.000 0.208 362 K C 2.107 178.145 176.600 -0.936 0.000 1.048 362 K CA 1.227 56.976 56.287 -0.897 0.000 0.929 362 K CB -0.133 31.669 32.500 -1.164 0.000 0.713 362 K HN 0.231 nan 8.250 nan 0.000 0.439 363 I N 0.699 120.980 120.570 -0.481 0.000 2.179 363 I HA -0.244 3.926 4.170 -0.001 0.000 0.242 363 I C 2.245 178.344 176.117 -0.030 0.000 1.088 363 I CA 1.644 62.903 61.300 -0.070 0.000 1.357 363 I CB -0.930 36.979 38.000 -0.152 0.000 1.051 363 I HN 0.019 nan 8.210 nan 0.000 0.409 364 F N 1.421 121.330 119.950 -0.068 0.000 2.186 364 F HA -0.112 4.415 4.527 -0.001 0.000 0.299 364 F C 2.858 178.534 175.800 -0.208 0.000 1.090 364 F CA 0.916 58.847 58.000 -0.115 0.000 1.307 364 F CB -1.476 37.435 39.000 -0.149 0.000 1.019 364 F HN -0.001 nan 8.300 nan 0.000 0.489 365 S N -1.058 114.586 115.700 -0.092 0.000 2.399 365 S HA -0.181 4.288 4.470 -0.001 0.000 0.231 365 S C 1.862 176.442 174.600 -0.032 0.000 1.022 365 S CA 0.923 59.030 58.200 -0.156 0.000 0.983 365 S CB -0.403 62.716 63.200 -0.136 0.000 0.803 365 S HN 0.393 nan 8.310 nan 0.000 0.480 366 W N 1.455 122.776 121.300 0.035 0.000 2.418 366 W HA 0.163 4.822 4.660 -0.001 0.000 0.292 366 W C 1.963 178.524 176.519 0.070 0.000 1.213 366 W CA -0.026 57.351 57.345 0.054 0.000 1.283 366 W CB -0.983 28.503 29.460 0.043 0.000 1.119 366 W HN 0.314 nan 8.180 nan 0.000 0.542 367 I N 0.345 121.089 120.570 0.291 0.000 2.252 367 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 367 I C 2.573 178.806 176.117 0.193 0.000 1.102 367 I CA 1.523 62.969 61.300 0.243 0.000 1.385 367 I CB -0.889 37.258 38.000 0.245 0.000 1.064 367 I HN -0.203 nan 8.210 nan 0.000 0.414 368 A N 0.255 123.069 122.820 -0.009 0.000 1.972 368 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 368 A C 2.345 179.990 177.584 0.102 0.000 1.169 368 A CA 2.213 54.142 52.037 -0.179 0.000 0.635 368 A CB -0.990 17.415 19.000 -0.992 0.000 0.810 368 A HN 0.385 nan 8.150 nan 0.000 0.446 369 T N 0.120 114.788 114.554 0.189 0.000 2.746 369 T HA -0.147 4.202 4.350 -0.001 0.000 0.267 369 T C 1.909 176.732 174.700 0.205 0.000 1.039 369 T CA 1.762 64.020 62.100 0.263 0.000 1.142 369 T CB -0.300 68.737 68.868 0.282 0.000 0.866 369 T HN 0.470 nan 8.240 nan 0.000 0.444 370 M N -0.584 119.134 119.600 0.197 0.000 2.229 370 M HA 0.004 4.483 4.480 -0.001 0.000 0.264 370 M C 0.979 177.363 176.300 0.141 0.000 1.063 370 M CA 0.644 56.027 55.300 0.138 0.000 1.114 370 M CB -0.093 32.585 32.600 0.130 0.000 1.387 370 M HN 0.324 nan 8.290 nan 0.000 0.420 371 W N 1.721 123.037 121.300 0.026 0.000 2.322 371 W HA 0.146 4.806 4.660 -0.001 0.000 0.328 371 W C 0.878 177.413 176.519 0.027 0.000 1.395 371 W CA 1.664 59.018 57.345 0.015 0.000 1.267 371 W CB 0.235 29.693 29.460 -0.004 0.000 1.259 371 W HN 0.582 nan 8.180 nan 0.000 0.560 372 G N 3.603 112.360 108.800 -0.070 0.000 2.148 372 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.254 372 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.254 372 G C 0.327 175.220 174.900 -0.010 0.000 0.981 372 G CA 0.102 45.205 45.100 0.004 0.000 0.670 372 G HN 0.921 nan 8.290 nan 0.000 0.528 373 G N -0.926 107.851 108.800 -0.037 0.000 2.532 373 G HA2 0.563 4.522 3.960 -0.001 0.000 0.291 373 G HA3 0.563 4.522 3.960 -0.001 0.000 0.291 373 G C 0.258 175.113 174.900 -0.075 0.000 1.349 373 G CA 0.632 45.701 45.100 -0.053 0.000 1.038 373 G HN 1.159 nan 8.290 nan 0.000 0.518 374 S N -0.288 115.361 115.700 -0.085 0.000 2.252 374 S HA 0.393 4.862 4.470 -0.001 0.000 0.187 374 S C -0.074 174.495 174.600 -0.051 0.000 1.587 374 S CA -0.630 57.530 58.200 -0.066 0.000 1.215 374 S CB -0.599 62.566 63.200 -0.058 0.000 1.085 374 S HN 0.364 nan 8.310 nan 0.000 0.466 375 I N 3.352 123.893 120.570 -0.048 0.000 2.452 375 I HA 0.228 4.398 4.170 -0.001 0.000 0.287 375 I C 0.614 176.726 176.117 -0.010 0.000 1.079 375 I CA 0.046 61.327 61.300 -0.031 0.000 1.387 375 I CB 0.656 38.623 38.000 -0.054 0.000 1.404 375 I HN 0.536 nan 8.210 nan 0.000 0.522 376 E N 7.190 127.413 120.200 0.039 0.000 2.133 376 E HA 0.330 4.679 4.350 -0.001 0.000 0.274 376 E C -0.689 175.899 176.600 -0.021 0.000 0.930 376 E CA -0.664 55.776 56.400 0.066 0.000 0.770 376 E CB 1.155 30.969 29.700 0.191 0.000 1.104 376 E HN 0.588 nan 8.360 nan 0.000 0.403 377 L N 5.369 126.544 121.223 -0.080 0.000 2.865 377 L HA 0.220 4.560 4.340 -0.001 0.000 0.233 377 L C 0.288 177.010 176.870 -0.246 0.000 1.320 377 L CA -0.365 54.358 54.840 -0.195 0.000 1.225 377 L CB -0.366 41.603 42.059 -0.150 0.000 1.542 377 L HN 0.241 nan 8.230 nan 0.000 0.432 378 K N -0.099 120.093 120.400 -0.347 0.000 2.180 378 K HA 0.181 4.500 4.320 -0.001 0.000 0.251 378 K C 1.404 177.709 176.600 -0.492 0.000 1.014 378 K CA -0.142 55.951 56.287 -0.324 0.000 0.913 378 K CB 0.852 33.163 32.500 -0.314 0.000 1.008 378 K HN 0.080 nan 8.250 nan 0.000 0.490 379 T N 2.498 116.883 114.554 -0.282 0.000 2.620 379 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 379 T C -1.070 173.357 174.700 -0.456 0.000 1.044 379 T CA 1.867 63.702 62.100 -0.441 0.000 1.161 379 T CB -0.847 67.737 68.868 -0.474 0.000 0.862 379 T HN 0.481 nan 8.240 nan 0.000 0.438 380 P HA -0.010 nan 4.420 nan 0.000 0.218 380 P C 1.545 178.551 177.300 -0.490 0.000 1.149 380 P CA 0.834 63.756 63.100 -0.298 0.000 0.817 380 P CB -0.103 31.405 31.700 -0.320 0.000 0.785 381 M N -0.999 118.100 119.600 -0.835 0.000 2.132 381 M HA -0.062 4.417 4.480 -0.001 0.000 0.263 381 M C 1.847 177.816 176.300 -0.551 0.000 1.065 381 M CA 1.658 56.575 55.300 -0.639 0.000 1.122 381 M CB -1.399 30.806 32.600 -0.657 0.000 1.365 381 M HN -0.204 nan 8.290 nan 0.000 0.411 382 L N -1.570 119.181 121.223 -0.788 0.000 2.013 382 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 382 L C 2.236 178.461 176.870 -1.075 0.000 1.073 382 L CA 1.808 55.887 54.840 -1.268 0.000 0.753 382 L CB -0.955 39.866 42.059 -2.064 0.000 0.890 382 L HN 0.423 nan 8.230 nan 0.000 0.432 383 W N -0.380 120.559 121.300 -0.601 0.000 2.335 383 W HA -0.226 4.433 4.660 -0.001 0.000 0.311 383 W C 2.732 179.299 176.519 0.081 0.000 1.213 383 W CA 1.019 58.303 57.345 -0.102 0.000 1.274 383 W CB -0.458 28.928 29.460 -0.123 0.000 1.148 383 W HN 0.121 nan 8.180 nan 0.000 0.498 384 A N -0.097 122.766 122.820 0.072 0.000 1.930 384 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 384 A C 1.941 179.567 177.584 0.070 0.000 1.175 384 A CA 1.311 53.336 52.037 -0.021 0.000 0.627 384 A CB -0.883 17.974 19.000 -0.238 0.000 0.815 384 A HN 0.314 nan 8.150 nan 0.000 0.443 385 L N -0.974 120.251 121.223 0.003 0.000 2.109 385 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 385 L C 2.825 179.829 176.870 0.225 0.000 1.086 385 L CA 0.900 55.770 54.840 0.049 0.000 0.760 385 L CB -0.819 41.183 42.059 -0.095 0.000 0.910 385 L HN 0.481 nan 8.230 nan 0.000 0.437 386 G N 0.008 109.012 108.800 0.340 0.000 2.440 386 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.218 386 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.218 386 G C 1.505 176.718 174.900 0.522 0.000 1.154 386 G CA 0.657 46.141 45.100 0.641 0.000 0.767 386 G HN 0.289 nan 8.290 nan 0.000 0.552 387 F N 1.313 121.489 119.950 0.377 0.000 2.065 387 F HA -0.102 4.425 4.527 -0.001 0.000 0.298 387 F C 2.500 178.406 175.800 0.177 0.000 1.112 387 F CA 1.515 59.639 58.000 0.207 0.000 1.212 387 F CB -0.242 38.827 39.000 0.115 0.000 0.975 387 F HN 0.063 nan 8.300 nan 0.000 0.476 388 L N -1.029 120.403 121.223 0.348 0.000 2.012 388 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 388 L C 2.443 179.451 176.870 0.230 0.000 1.073 388 L CA 1.685 56.695 54.840 0.283 0.000 0.748 388 L CB -1.004 41.229 42.059 0.291 0.000 0.891 388 L HN 0.276 nan 8.230 nan 0.000 0.431 389 F N 0.738 120.769 119.950 0.135 0.000 2.084 389 F HA -0.174 4.352 4.527 -0.001 0.000 0.296 389 F C 2.172 178.015 175.800 0.072 0.000 1.111 389 F CA 1.539 59.613 58.000 0.123 0.000 1.224 389 F CB -0.298 38.814 39.000 0.187 0.000 0.991 389 F HN -0.156 nan 8.300 nan 0.000 0.471 390 L N -1.156 119.965 121.223 -0.170 0.000 2.072 390 L HA -0.149 4.191 4.340 -0.001 0.000 0.205 390 L C 2.445 179.167 176.870 -0.247 0.000 1.079 390 L CA 1.254 55.914 54.840 -0.299 0.000 0.752 390 L CB -0.954 40.944 42.059 -0.268 0.000 0.906 390 L HN 0.206 nan 8.230 nan 0.000 0.436 391 F N 0.948 120.623 119.950 -0.459 0.000 2.216 391 F HA -0.211 4.315 4.527 -0.001 0.000 0.300 391 F C 2.381 178.020 175.800 -0.268 0.000 1.085 391 F CA 1.701 59.420 58.000 -0.468 0.000 1.326 391 F CB -0.247 38.212 39.000 -0.903 0.000 1.027 391 F HN -0.070 nan 8.300 nan 0.000 0.497 392 T N -0.100 114.340 114.554 -0.189 0.000 2.777 392 T HA -0.144 4.205 4.350 -0.001 0.000 0.266 392 T C 2.181 176.686 174.700 -0.326 0.000 1.040 392 T CA 1.537 63.514 62.100 -0.205 0.000 1.141 392 T CB -0.562 68.269 68.868 -0.063 0.000 0.868 392 T HN 0.103 nan 8.240 nan 0.000 0.444 393 V N 1.507 121.164 119.914 -0.428 0.000 2.255 393 V HA -0.153 3.966 4.120 -0.001 0.000 0.247 393 V C 2.875 178.690 176.094 -0.464 0.000 1.051 393 V CA 2.106 64.103 62.300 -0.505 0.000 1.018 393 V CB -1.423 29.958 31.823 -0.737 0.000 0.641 393 V HN 0.596 nan 8.190 nan 0.000 0.445 394 G N -0.091 108.464 108.800 -0.408 0.000 2.446 394 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 394 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 394 G C 1.623 176.372 174.900 -0.252 0.000 1.168 394 G CA 1.057 45.978 45.100 -0.298 0.000 0.771 394 G HN 0.608 nan 8.290 nan 0.000 0.551 395 G N 0.514 109.024 108.800 -0.483 0.000 2.418 395 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.217 395 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.217 395 G C 1.960 176.721 174.900 -0.231 0.000 1.158 395 G CA 2.034 46.892 45.100 -0.404 0.000 0.771 395 G HN 0.854 nan 8.290 nan 0.000 0.545 396 V N 0.051 119.830 119.914 -0.226 0.000 2.667 396 V HA -0.092 4.027 4.120 -0.001 0.000 0.252 396 V C 2.799 178.793 176.094 -0.166 0.000 1.065 396 V CA 2.469 64.668 62.300 -0.168 0.000 1.083 396 V CB -1.275 30.462 31.823 -0.143 0.000 0.692 396 V HN 0.450 nan 8.190 nan 0.000 0.468 397 T N -1.812 112.620 114.554 -0.202 0.000 2.951 397 T HA 0.084 4.433 4.350 -0.001 0.000 0.268 397 T C 2.025 176.547 174.700 -0.296 0.000 1.073 397 T CA 1.207 63.195 62.100 -0.187 0.000 1.134 397 T CB -0.731 67.959 68.868 -0.296 0.000 0.884 397 T HN 0.632 nan 8.240 nan 0.000 0.479 398 G N 2.021 110.543 108.800 -0.463 0.000 2.440 398 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.218 398 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.218 398 G C 1.476 176.170 174.900 -0.344 0.000 1.154 398 G CA 0.739 45.426 45.100 -0.688 0.000 0.767 398 G HN 0.458 nan 8.290 nan 0.000 0.552 399 I N 0.884 121.332 120.570 -0.204 0.000 2.315 399 I HA -0.092 4.078 4.170 -0.001 0.000 0.248 399 I C 2.973 179.036 176.117 -0.091 0.000 1.117 399 I CA 0.600 61.825 61.300 -0.124 0.000 1.404 399 I CB -0.973 36.974 38.000 -0.087 0.000 1.071 399 I HN 0.030 nan 8.210 nan 0.000 0.419 400 V N 1.305 121.177 119.914 -0.070 0.000 2.282 400 V HA -0.286 3.833 4.120 -0.001 0.000 0.249 400 V C 2.580 178.681 176.094 0.012 0.000 1.057 400 V CA 1.717 64.014 62.300 -0.005 0.000 1.032 400 V CB -0.647 31.215 31.823 0.064 0.000 0.645 400 V HN 0.336 nan 8.190 nan 0.000 0.447 401 L N 0.889 122.097 121.223 -0.026 0.000 2.201 401 L HA -0.131 4.208 4.340 -0.001 0.000 0.212 401 L C 2.661 179.545 176.870 0.023 0.000 1.105 401 L CA 1.533 56.374 54.840 0.002 0.000 0.775 401 L CB -0.729 41.261 42.059 -0.115 0.000 0.913 401 L HN 0.565 nan 8.230 nan 0.000 0.440 402 S N -1.296 114.372 115.700 -0.054 0.000 2.419 402 S HA -0.137 4.333 4.470 -0.001 0.000 0.233 402 S C 1.110 175.759 174.600 0.081 0.000 1.016 402 S CA 0.478 58.698 58.200 0.034 0.000 0.974 402 S CB -0.311 62.858 63.200 -0.052 0.000 0.786 402 S HN 0.333 nan 8.310 nan 0.000 0.492 403 Q N 1.452 121.241 119.800 -0.018 0.000 2.348 403 Q HA 0.473 4.813 4.340 -0.001 0.000 0.251 403 Q C 1.282 177.159 176.000 -0.205 0.000 1.113 403 Q CA 0.431 56.170 55.803 -0.107 0.000 0.902 403 Q CB 0.515 29.207 28.738 -0.078 0.000 1.333 403 Q HN 0.499 nan 8.270 nan 0.000 0.457 404 A N 2.973 125.486 122.820 -0.512 0.000 1.948 404 A HA -0.263 4.056 4.320 -0.001 0.000 0.220 404 A C 2.079 179.461 177.584 -0.335 0.000 1.177 404 A CA 2.223 53.780 52.037 -0.799 0.000 0.636 404 A CB -0.302 17.986 19.000 -1.186 0.000 0.815 404 A HN 0.712 nan 8.150 nan 0.000 0.449 405 S N -0.618 114.941 115.700 -0.235 0.000 2.402 405 S HA -0.079 4.390 4.470 -0.001 0.000 0.229 405 S C 1.629 176.155 174.600 -0.123 0.000 1.021 405 S CA 1.373 59.483 58.200 -0.149 0.000 0.974 405 S CB -0.601 62.523 63.200 -0.126 0.000 0.800 405 S HN 0.291 nan 8.310 nan 0.000 0.484 406 V N 2.102 121.941 119.914 -0.125 0.000 2.599 406 V HA -0.024 4.095 4.120 -0.001 0.000 0.245 406 V C 2.355 178.389 176.094 -0.101 0.000 1.046 406 V CA 1.569 63.776 62.300 -0.156 0.000 1.065 406 V CB -0.804 30.944 31.823 -0.125 0.000 0.703 406 V HN 0.413 nan 8.190 nan 0.000 0.464 407 D N 0.303 120.714 120.400 0.020 0.000 2.221 407 D HA -0.221 4.418 4.640 -0.001 0.000 0.204 407 D C 2.188 178.567 176.300 0.131 0.000 0.982 407 D CA 0.948 55.039 54.000 0.152 0.000 0.857 407 D CB -0.027 40.927 40.800 0.257 0.000 0.934 407 D HN 0.151 nan 8.370 nan 0.000 0.475 408 R N -1.023 119.498 120.500 0.036 0.000 2.103 408 R HA -0.212 4.127 4.340 -0.001 0.000 0.242 408 R C 1.976 178.306 176.300 0.049 0.000 1.142 408 R CA 1.522 57.644 56.100 0.036 0.000 0.960 408 R CB -0.848 29.448 30.300 -0.007 0.000 0.858 408 R HN 0.371 nan 8.270 nan 0.000 0.439 409 Y N -1.302 118.916 120.300 -0.137 0.000 2.206 409 Y HA -0.145 4.405 4.550 -0.001 0.000 0.292 409 Y C 1.407 177.238 175.900 -0.115 0.000 1.123 409 Y CA 1.517 59.497 58.100 -0.199 0.000 1.142 409 Y CB -0.125 38.081 38.460 -0.422 0.000 1.006 409 Y HN 0.080 nan 8.280 nan 0.000 0.518 410 Y N -0.929 119.485 120.300 0.191 0.000 2.420 410 Y HA -0.008 4.541 4.550 -0.001 0.000 0.292 410 Y C 0.961 176.916 175.900 0.092 0.000 1.119 410 Y CA 0.669 58.838 58.100 0.115 0.000 1.229 410 Y CB -1.267 37.177 38.460 -0.027 0.000 1.026 410 Y HN 0.104 nan 8.280 nan 0.000 0.554 411 H N 1.553 120.731 119.070 0.180 0.000 3.001 411 H HA -0.012 4.543 4.556 -0.001 0.000 0.334 411 H C 0.646 176.020 175.328 0.078 0.000 1.034 411 H CA 0.546 56.666 56.048 0.120 0.000 1.420 411 H CB 0.014 29.833 29.762 0.095 0.000 1.405 411 H HN 0.223 nan 8.280 nan 0.000 0.593 412 D N 2.341 122.307 120.400 -0.722 0.000 2.837 412 D HA -0.208 4.431 4.640 -0.001 0.000 0.230 412 D C -0.287 175.895 176.300 -0.197 0.000 1.152 412 D CA 1.427 55.160 54.000 -0.446 0.000 0.736 412 D CB -0.848 39.716 40.800 -0.393 0.000 1.084 412 D HN 0.756 nan 8.370 nan 0.000 0.429 413 T N -4.149 110.347 114.554 -0.097 0.000 2.927 413 T HA 0.428 4.778 4.350 -0.001 0.000 0.286 413 T C 1.047 175.726 174.700 -0.035 0.000 1.040 413 T CA -0.715 61.372 62.100 -0.022 0.000 1.010 413 T CB 0.972 69.908 68.868 0.113 0.000 1.177 413 T HN -0.078 nan 8.240 nan 0.000 0.546 414 Y N -0.652 119.597 120.300 -0.086 0.000 2.574 414 Y HA 0.058 4.608 4.550 -0.001 0.000 0.294 414 Y C 2.017 177.816 175.900 -0.169 0.000 1.142 414 Y CA 0.656 58.676 58.100 -0.134 0.000 1.314 414 Y CB -0.538 37.813 38.460 -0.181 0.000 0.991 414 Y HN 0.821 nan 8.280 nan 0.000 0.555 415 Y N -0.760 119.476 120.300 -0.106 0.000 2.181 415 Y HA -0.258 4.291 4.550 -0.001 0.000 0.288 415 Y C 2.229 177.949 175.900 -0.300 0.000 1.146 415 Y CA 1.562 59.489 58.100 -0.287 0.000 1.164 415 Y CB -0.342 37.833 38.460 -0.474 0.000 0.982 415 Y HN -0.104 nan 8.280 nan 0.000 0.515 416 V N -1.100 118.805 119.914 -0.016 0.000 2.343 416 V HA -0.315 3.804 4.120 -0.001 0.000 0.247 416 V C 2.264 178.176 176.094 -0.303 0.000 1.051 416 V CA 1.736 64.032 62.300 -0.008 0.000 1.036 416 V CB -0.867 31.020 31.823 0.107 0.000 0.654 416 V HN 0.317 nan 8.190 nan 0.000 0.451 417 V N 0.425 120.017 119.914 -0.536 0.000 2.407 417 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 417 V C 2.688 178.271 176.094 -0.851 0.000 1.055 417 V CA 2.014 63.689 62.300 -1.040 0.000 1.049 417 V CB -1.194 30.195 31.823 -0.723 0.000 0.662 417 V HN 0.560 nan 8.190 nan 0.000 0.455 418 A N -0.123 122.324 122.820 -0.621 0.000 1.898 418 A HA -0.269 4.050 4.320 -0.001 0.000 0.216 418 A C 2.128 179.380 177.584 -0.555 0.000 1.181 418 A CA 2.119 53.751 52.037 -0.676 0.000 0.620 418 A CB -0.841 17.347 19.000 -1.352 0.000 0.819 418 A HN 0.757 nan 8.150 nan 0.000 0.442 419 H N 0.399 119.095 119.070 -0.624 0.000 2.265 419 H HA -0.236 4.319 4.556 -0.001 0.000 0.295 419 H C 1.633 176.781 175.328 -0.300 0.000 1.084 419 H CA 2.668 58.472 56.048 -0.407 0.000 1.261 419 H CB -0.754 28.823 29.762 -0.309 0.000 1.360 419 H HN 0.602 nan 8.280 nan 0.000 0.487 420 F N -1.065 118.464 119.950 -0.700 0.000 2.367 420 F HA 0.108 4.634 4.527 -0.001 0.000 0.298 420 F C 1.982 177.319 175.800 -0.771 0.000 1.094 420 F CA 1.023 58.511 58.000 -0.854 0.000 1.409 420 F CB -1.108 37.534 39.000 -0.597 0.000 1.064 420 F HN 0.199 nan 8.300 nan 0.000 0.528 421 H N -1.516 117.111 119.070 -0.738 0.000 2.428 421 H HA -0.037 4.518 4.556 -0.001 0.000 0.296 421 H C 1.595 176.442 175.328 -0.802 0.000 1.062 421 H CA 2.111 57.602 56.048 -0.927 0.000 1.350 421 H CB -0.446 28.168 29.762 -1.912 0.000 1.403 421 H HN 0.264 nan 8.280 nan 0.000 0.533 422 Y N 0.145 120.110 120.300 -0.559 0.000 2.145 422 Y HA -0.237 4.312 4.550 -0.001 0.000 0.286 422 Y C 2.612 178.275 175.900 -0.394 0.000 1.145 422 Y CA 1.498 59.340 58.100 -0.431 0.000 1.148 422 Y CB -0.369 37.868 38.460 -0.372 0.000 0.981 422 Y HN 0.141 nan 8.280 nan 0.000 0.507 423 V N -2.822 116.916 119.914 -0.293 0.000 2.667 423 V HA -0.227 3.892 4.120 -0.001 0.000 0.252 423 V C 1.777 177.807 176.094 -0.107 0.000 1.065 423 V CA 1.710 63.885 62.300 -0.209 0.000 1.083 423 V CB -0.552 31.079 31.823 -0.320 0.000 0.692 423 V HN 0.367 nan 8.190 nan 0.000 0.468 424 M N 0.395 119.858 119.600 -0.228 0.000 2.553 424 M HA 0.069 4.549 4.480 -0.001 0.000 0.255 424 M C 2.472 178.684 176.300 -0.147 0.000 1.181 424 M CA 1.606 56.786 55.300 -0.199 0.000 1.210 424 M CB -0.249 32.175 32.600 -0.294 0.000 1.280 424 M HN 0.382 nan 8.290 nan 0.000 0.495 425 S N 0.093 115.672 115.700 -0.202 0.000 2.496 425 S HA 0.073 4.542 4.470 -0.001 0.000 0.224 425 S C 1.273 175.860 174.600 -0.021 0.000 0.996 425 S CA 0.693 58.843 58.200 -0.084 0.000 0.927 425 S CB 0.141 63.295 63.200 -0.077 0.000 0.774 425 S HN 0.270 nan 8.310 nan 0.000 0.524 426 L N 0.280 121.357 121.223 -0.244 0.000 2.906 426 L HA 0.502 4.841 4.340 -0.001 0.000 0.255 426 L C 1.337 177.914 176.870 -0.490 0.000 1.166 426 L CA 0.382 54.905 54.840 -0.530 0.000 0.977 426 L CB 0.790 42.415 42.059 -0.723 0.000 1.313 426 L HN 0.322 nan 8.230 nan 0.000 0.549 427 G N -1.343 107.384 108.800 -0.122 0.000 2.446 427 G HA2 0.269 4.228 3.960 -0.001 0.000 0.200 427 G HA3 0.269 4.228 3.960 -0.001 0.000 0.200 427 G C 1.352 176.499 174.900 0.411 0.000 1.707 427 G CA 0.518 45.637 45.100 0.032 0.000 0.697 427 G HN 0.087 nan 8.290 nan 0.000 0.675 428 A N 0.124 123.102 122.820 0.263 0.000 1.940 428 A HA 0.060 4.379 4.320 -0.001 0.000 0.219 428 A C 2.485 180.136 177.584 0.111 0.000 1.176 428 A CA 2.168 54.315 52.037 0.184 0.000 0.631 428 A CB -0.736 18.273 19.000 0.016 0.000 0.814 428 A HN 0.398 nan 8.150 nan 0.000 0.446 429 V N -1.478 118.486 119.914 0.083 0.000 2.515 429 V HA -0.173 3.947 4.120 -0.001 0.000 0.250 429 V C 2.187 178.281 176.094 0.001 0.000 1.058 429 V CA 1.582 63.849 62.300 -0.056 0.000 1.064 429 V CB -0.869 30.924 31.823 -0.051 0.000 0.675 429 V HN 0.550 nan 8.190 nan 0.000 0.461 430 F N 1.390 121.401 119.950 0.102 0.000 2.293 430 F HA 0.016 4.542 4.527 -0.001 0.000 0.300 430 F C 2.272 178.154 175.800 0.138 0.000 1.086 430 F CA 1.044 59.230 58.000 0.310 0.000 1.375 430 F CB -1.205 38.144 39.000 0.581 0.000 1.045 430 F HN 0.197 nan 8.300 nan 0.000 0.516 431 G N 0.098 109.034 108.800 0.227 0.000 2.402 431 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.216 431 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.216 431 G C 1.870 176.718 174.900 -0.086 0.000 1.162 431 G CA 0.784 45.860 45.100 -0.040 0.000 0.777 431 G HN 0.329 nan 8.290 nan 0.000 0.539 432 I N 0.008 120.524 120.570 -0.091 0.000 2.127 432 I HA -0.165 4.004 4.170 -0.001 0.000 0.241 432 I C 2.474 178.515 176.117 -0.126 0.000 1.075 432 I CA 1.028 62.292 61.300 -0.060 0.000 1.334 432 I CB -0.295 37.571 38.000 -0.225 0.000 1.040 432 I HN 0.038 nan 8.210 nan 0.000 0.405 433 F N 1.006 120.753 119.950 -0.338 0.000 2.171 433 F HA -0.181 4.345 4.527 -0.001 0.000 0.300 433 F C 2.608 178.117 175.800 -0.485 0.000 1.090 433 F CA 1.005 58.605 58.000 -0.667 0.000 1.293 433 F CB -1.365 36.580 39.000 -1.759 0.000 1.013 433 F HN 0.019 nan 8.300 nan 0.000 0.486 434 A N 0.468 123.158 122.820 -0.217 0.000 1.865 434 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 434 A C 2.661 180.160 177.584 -0.141 0.000 1.191 434 A CA 2.072 54.050 52.037 -0.098 0.000 0.623 434 A CB -1.598 17.315 19.000 -0.146 0.000 0.826 434 A HN 0.400 nan 8.150 nan 0.000 0.444 435 G N -0.091 108.535 108.800 -0.289 0.000 2.491 435 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 435 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 435 G C 1.551 176.417 174.900 -0.057 0.000 1.180 435 G CA 1.223 45.989 45.100 -0.557 0.000 0.774 435 G HN 0.484 nan 8.290 nan 0.000 0.562 436 I N -0.781 119.941 120.570 0.254 0.000 2.208 436 I HA -0.192 3.977 4.170 -0.001 0.000 0.245 436 I C 2.485 178.723 176.117 0.201 0.000 1.097 436 I CA 1.105 62.617 61.300 0.354 0.000 1.363 436 I CB -0.193 37.966 38.000 0.265 0.000 1.051 436 I HN 0.156 nan 8.210 nan 0.000 0.413 437 Y N -1.014 119.406 120.300 0.201 0.000 2.337 437 Y HA -0.197 4.353 4.550 -0.001 0.000 0.293 437 Y C 2.207 178.444 175.900 0.561 0.000 1.123 437 Y CA 1.160 59.363 58.100 0.173 0.000 1.201 437 Y CB -0.411 38.000 38.460 -0.082 0.000 1.011 437 Y HN 0.071 nan 8.280 nan 0.000 0.545 438 F N -1.347 118.823 119.950 0.367 0.000 2.186 438 F HA -0.204 4.322 4.527 -0.001 0.000 0.299 438 F C 1.197 177.408 175.800 0.685 0.000 1.090 438 F CA 1.413 59.632 58.000 0.366 0.000 1.307 438 F CB -0.174 38.604 39.000 -0.369 0.000 1.019 438 F HN 0.062 nan 8.300 nan 0.000 0.489 439 W N -1.008 120.578 121.300 0.476 0.000 2.870 439 W HA 0.280 4.939 4.660 -0.001 0.000 0.358 439 W C 1.843 178.554 176.519 0.320 0.000 1.043 439 W CA -0.484 57.029 57.345 0.280 0.000 1.692 439 W CB -0.634 28.833 29.460 0.011 0.000 1.100 439 W HN -0.033 nan 8.180 nan 0.000 0.557 440 I N 0.329 121.209 120.570 0.518 0.000 2.493 440 I HA -0.117 4.052 4.170 -0.001 0.000 0.254 440 I C 2.206 178.451 176.117 0.215 0.000 1.160 440 I CA 1.848 63.329 61.300 0.301 0.000 1.445 440 I CB -0.359 37.761 38.000 0.200 0.000 1.086 440 I HN -0.088 nan 8.210 nan 0.000 0.433 441 G N 0.625 109.560 108.800 0.224 0.000 2.404 441 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.215 441 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.215 441 G C 1.629 176.639 174.900 0.185 0.000 1.174 441 G CA 0.900 45.933 45.100 -0.111 0.000 0.780 441 G HN 0.243 nan 8.290 nan 0.000 0.537 442 K N 0.360 121.061 120.400 0.502 0.000 2.057 442 K HA 0.075 4.394 4.320 -0.001 0.000 0.207 442 K C 2.477 179.183 176.600 0.178 0.000 1.049 442 K CA 1.327 57.829 56.287 0.358 0.000 0.931 442 K CB -0.398 32.252 32.500 0.249 0.000 0.714 442 K HN 0.351 nan 8.250 nan 0.000 0.440 443 M N -0.365 119.306 119.600 0.117 0.000 2.288 443 M HA -0.048 4.431 4.480 -0.001 0.000 0.266 443 M C 1.825 178.162 176.300 0.060 0.000 1.072 443 M CA 1.637 56.928 55.300 -0.015 0.000 1.132 443 M CB 0.045 32.524 32.600 -0.201 0.000 1.386 443 M HN 0.297 nan 8.290 nan 0.000 0.432 444 S N -1.636 114.100 115.700 0.060 0.000 2.520 444 S HA 0.317 4.786 4.470 -0.001 0.000 0.219 444 S C 1.543 176.147 174.600 0.007 0.000 1.028 444 S CA 0.406 58.626 58.200 0.033 0.000 0.921 444 S CB 0.526 63.741 63.200 0.025 0.000 0.844 444 S HN 0.587 nan 8.310 nan 0.000 0.495 445 G N 1.520 110.327 108.800 0.012 0.000 2.184 445 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.264 445 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.264 445 G C 0.098 174.956 174.900 -0.070 0.000 0.975 445 G CA 0.366 45.456 45.100 -0.017 0.000 0.642 445 G HN 0.637 nan 8.290 nan 0.000 0.536 446 R N -0.744 119.707 120.500 -0.082 0.000 2.854 446 R HA 0.686 5.025 4.340 -0.001 0.000 0.271 446 R C -0.621 175.597 176.300 -0.137 0.000 0.996 446 R CA -0.897 55.134 56.100 -0.115 0.000 0.961 446 R CB 1.448 31.684 30.300 -0.107 0.000 1.182 446 R HN 0.165 nan 8.270 nan 0.000 0.479 447 Q N 1.413 121.117 119.800 -0.161 0.000 2.342 447 Q HA 0.225 4.564 4.340 -0.001 0.000 0.267 447 Q C -1.485 174.478 176.000 -0.062 0.000 1.038 447 Q CA -0.868 54.816 55.803 -0.199 0.000 0.832 447 Q CB 1.139 29.650 28.738 -0.378 0.000 1.323 447 Q HN 0.499 nan 8.270 nan 0.000 0.448 448 Y N 2.330 122.663 120.300 0.055 0.000 2.411 448 Y HA 0.569 5.118 4.550 -0.001 0.000 0.333 448 Y C -2.136 173.851 175.900 0.145 0.000 1.186 448 Y CA -2.357 55.822 58.100 0.132 0.000 1.381 448 Y CB -0.146 38.455 38.460 0.235 0.000 1.273 448 Y HN 0.459 nan 8.280 nan 0.000 0.546 449 P HA 0.019 nan 4.420 nan 0.000 0.271 449 P C -0.062 177.300 177.300 0.104 0.000 1.233 449 P CA 0.021 63.170 63.100 0.082 0.000 0.764 449 P CB 1.670 33.370 31.700 -0.001 0.000 0.825 450 E N 4.895 125.164 120.200 0.114 0.000 2.077 450 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 450 E C 1.627 178.377 176.600 0.249 0.000 0.989 450 E CA 1.515 58.065 56.400 0.249 0.000 0.800 450 E CB -0.618 29.193 29.700 0.186 0.000 0.746 450 E HN 0.626 nan 8.360 nan 0.000 0.452 451 W N 0.049 121.470 121.300 0.201 0.000 2.374 451 W HA -0.047 4.612 4.660 -0.001 0.000 0.288 451 W C 1.666 178.336 176.519 0.251 0.000 1.218 451 W CA 1.183 58.637 57.345 0.182 0.000 1.245 451 W CB -0.961 28.578 29.460 0.132 0.000 1.126 451 W HN 0.166 nan 8.180 nan 0.000 0.545 452 A N 1.932 124.240 122.820 -0.854 0.000 1.930 452 A HA 0.139 4.459 4.320 -0.001 0.000 0.215 452 A C 2.406 180.010 177.584 0.033 0.000 1.176 452 A CA 1.772 53.371 52.037 -0.729 0.000 0.632 452 A CB -1.450 16.883 19.000 -1.111 0.000 0.819 452 A HN 0.354 nan 8.150 nan 0.000 0.445 453 G N 0.011 108.862 108.800 0.084 0.000 2.422 453 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.218 453 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.218 453 G C 1.675 176.514 174.900 -0.102 0.000 1.146 453 G CA 1.149 46.217 45.100 -0.055 0.000 0.769 453 G HN 0.563 nan 8.290 nan 0.000 0.547 454 K N -0.611 119.796 120.400 0.012 0.000 2.031 454 K HA 0.073 4.392 4.320 -0.001 0.000 0.205 454 K C 2.338 179.058 176.600 0.200 0.000 1.049 454 K CA 0.775 57.090 56.287 0.047 0.000 0.939 454 K CB -0.299 32.308 32.500 0.179 0.000 0.717 454 K HN 0.237 nan 8.250 nan 0.000 0.438 455 L N 1.241 122.607 121.223 0.240 0.000 2.017 455 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 455 L C 2.356 179.295 176.870 0.115 0.000 1.073 455 L CA 1.873 56.831 54.840 0.197 0.000 0.745 455 L CB -0.753 41.385 42.059 0.131 0.000 0.894 455 L HN 0.325 nan 8.230 nan 0.000 0.432 456 H N -1.575 117.553 119.070 0.096 0.000 2.289 456 H HA -0.305 4.250 4.556 -0.001 0.000 0.296 456 H C 2.194 177.533 175.328 0.018 0.000 1.091 456 H CA 2.240 58.388 56.048 0.167 0.000 1.274 456 H CB -0.339 29.668 29.762 0.408 0.000 1.364 456 H HN 0.451 nan 8.280 nan 0.000 0.490 457 F N 0.544 120.164 119.950 -0.550 0.000 2.065 457 F HA -0.257 4.269 4.527 -0.001 0.000 0.298 457 F C 1.967 177.304 175.800 -0.773 0.000 1.112 457 F CA 2.076 59.326 58.000 -1.250 0.000 1.212 457 F CB -0.809 37.180 39.000 -1.684 0.000 0.975 457 F HN 0.197 nan 8.300 nan 0.000 0.476 458 W N 0.087 121.199 121.300 -0.312 0.000 2.388 458 W HA -0.131 4.528 4.660 -0.001 0.000 0.294 458 W C 2.504 178.927 176.519 -0.159 0.000 1.212 458 W CA 1.027 58.223 57.345 -0.248 0.000 1.271 458 W CB -0.420 29.008 29.460 -0.054 0.000 1.126 458 W HN 0.018 nan 8.180 nan 0.000 0.535 459 M N -0.928 118.718 119.600 0.078 0.000 2.086 459 M HA -0.230 4.249 4.480 -0.001 0.000 0.261 459 M C 2.256 178.592 176.300 0.061 0.000 1.067 459 M CA 1.576 56.919 55.300 0.072 0.000 1.116 459 M CB -0.671 31.960 32.600 0.051 0.000 1.348 459 M HN 0.021 nan 8.290 nan 0.000 0.407 460 M N 0.251 119.850 119.600 -0.002 0.000 2.086 460 M HA -0.174 4.305 4.480 -0.001 0.000 0.261 460 M C 1.933 178.269 176.300 0.059 0.000 1.067 460 M CA 1.858 57.192 55.300 0.055 0.000 1.116 460 M CB -0.676 31.946 32.600 0.036 0.000 1.348 460 M HN 0.198 nan 8.290 nan 0.000 0.407 461 F N -0.438 119.321 119.950 -0.317 0.000 2.126 461 F HA -0.210 4.317 4.527 -0.001 0.000 0.299 461 F C 1.814 177.603 175.800 -0.019 0.000 1.096 461 F CA 1.894 59.762 58.000 -0.220 0.000 1.255 461 F CB -0.302 38.271 39.000 -0.712 0.000 0.997 461 F HN 0.009 nan 8.300 nan 0.000 0.479 462 V N -0.102 119.888 119.914 0.126 0.000 2.323 462 V HA -0.149 3.970 4.120 -0.001 0.000 0.244 462 V C 2.731 178.825 176.094 -0.000 0.000 1.041 462 V CA 1.810 64.162 62.300 0.086 0.000 1.025 462 V CB -1.514 30.402 31.823 0.156 0.000 0.656 462 V HN 0.501 nan 8.190 nan 0.000 0.451 463 G N -0.183 108.631 108.800 0.024 0.000 2.446 463 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.217 463 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.217 463 G C 1.739 176.602 174.900 -0.063 0.000 1.168 463 G CA 1.162 46.263 45.100 0.002 0.000 0.771 463 G HN 0.602 nan 8.290 nan 0.000 0.551 464 A N 0.806 123.607 122.820 -0.030 0.000 1.929 464 A HA -0.018 4.301 4.320 -0.001 0.000 0.216 464 A C 2.265 179.765 177.584 -0.139 0.000 1.176 464 A CA 1.575 53.588 52.037 -0.040 0.000 0.628 464 A CB -0.370 18.692 19.000 0.102 0.000 0.816 464 A HN 0.355 nan 8.150 nan 0.000 0.444 465 N N 0.079 118.666 118.700 -0.189 0.000 2.142 465 N HA -0.069 4.670 4.740 -0.001 0.000 0.186 465 N C 1.677 177.174 175.510 -0.022 0.000 1.023 465 N CA 1.231 54.211 53.050 -0.116 0.000 0.852 465 N CB -0.303 38.062 38.487 -0.203 0.000 0.998 465 N HN 0.471 nan 8.380 nan 0.000 0.424 466 L N 0.801 121.984 121.223 -0.066 0.000 2.141 466 L HA -0.112 4.227 4.340 -0.001 0.000 0.209 466 L C 2.204 178.986 176.870 -0.147 0.000 1.094 466 L CA 0.916 55.729 54.840 -0.045 0.000 0.763 466 L CB -0.497 41.541 42.059 -0.035 0.000 0.908 466 L HN 0.145 nan 8.230 nan 0.000 0.437 467 T N -0.607 113.753 114.554 -0.323 0.000 2.701 467 T HA -0.112 4.237 4.350 -0.001 0.000 0.263 467 T C 1.378 175.693 174.700 -0.642 0.000 1.040 467 T CA 1.510 63.223 62.100 -0.646 0.000 1.147 467 T CB -0.215 67.981 68.868 -1.121 0.000 0.865 467 T HN 0.134 nan 8.240 nan 0.000 0.426 468 F N -0.703 119.138 119.950 -0.181 0.000 2.678 468 F HA 0.400 4.926 4.527 -0.001 0.000 0.291 468 F C 1.692 177.439 175.800 -0.089 0.000 1.123 468 F CA -1.129 56.746 58.000 -0.208 0.000 1.395 468 F CB -0.535 38.258 39.000 -0.343 0.000 1.121 468 F HN 0.035 nan 8.300 nan 0.000 0.592 469 F N 2.497 122.507 119.950 0.101 0.000 2.134 469 F HA -0.043 4.483 4.527 -0.001 0.000 0.299 469 F C -0.790 174.758 175.800 -0.421 0.000 1.097 469 F CA 1.203 59.205 58.000 0.003 0.000 1.264 469 F CB -1.420 37.559 39.000 -0.035 0.000 1.001 469 F HN -0.140 nan 8.300 nan 0.000 0.479 470 P HA -0.142 nan 4.420 nan 0.000 0.230 470 P C 0.970 178.003 177.300 -0.446 0.000 1.158 470 P CA 1.298 64.057 63.100 -0.569 0.000 0.769 470 P CB -0.182 31.539 31.700 0.036 0.000 0.807 471 Q N -1.592 117.987 119.800 -0.369 0.000 2.291 471 Q HA -0.173 4.166 4.340 -0.001 0.000 0.205 471 Q C 1.670 177.459 176.000 -0.351 0.000 0.970 471 Q CA 1.065 56.706 55.803 -0.271 0.000 0.876 471 Q CB -0.612 28.049 28.738 -0.128 0.000 0.935 471 Q HN 0.523 nan 8.270 nan 0.000 0.455 472 H N -0.605 118.123 119.070 -0.571 0.000 2.353 472 H HA -0.149 4.406 4.556 -0.001 0.000 0.300 472 H C 1.511 176.739 175.328 -0.166 0.000 1.090 472 H CA 1.629 57.347 56.048 -0.550 0.000 1.327 472 H CB -0.006 29.162 29.762 -0.989 0.000 1.383 472 H HN 0.189 nan 8.280 nan 0.000 0.508 473 F N 0.409 120.277 119.950 -0.138 0.000 2.102 473 F HA -0.141 4.385 4.527 -0.001 0.000 0.298 473 F C 2.282 178.128 175.800 0.076 0.000 1.105 473 F CA 0.881 58.812 58.000 -0.116 0.000 1.239 473 F CB -1.100 37.601 39.000 -0.498 0.000 0.991 473 F HN 0.084 nan 8.300 nan 0.000 0.474 474 L N -0.267 121.095 121.223 0.233 0.000 2.012 474 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 474 L C 2.797 179.773 176.870 0.175 0.000 1.073 474 L CA 1.543 56.487 54.840 0.173 0.000 0.748 474 L CB -1.522 40.467 42.059 -0.117 0.000 0.891 474 L HN 0.279 nan 8.230 nan 0.000 0.431 475 G N -0.197 108.727 108.800 0.206 0.000 2.446 475 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.217 475 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.217 475 G C 1.723 176.923 174.900 0.500 0.000 1.168 475 G CA 0.622 45.917 45.100 0.326 0.000 0.771 475 G HN 0.286 nan 8.290 nan 0.000 0.551 476 R N -0.292 120.509 120.500 0.500 0.000 2.120 476 R HA -0.003 4.336 4.340 -0.001 0.000 0.234 476 R C 2.527 179.095 176.300 0.447 0.000 1.123 476 R CA 1.064 57.445 56.100 0.469 0.000 0.975 476 R CB -0.100 30.396 30.300 0.327 0.000 0.866 476 R HN 0.287 nan 8.270 nan 0.000 0.446 477 Q N -0.638 119.426 119.800 0.440 0.000 2.444 477 Q HA 0.054 4.393 4.340 -0.001 0.000 0.206 477 Q C 0.749 177.076 176.000 0.545 0.000 0.948 477 Q CA 0.930 57.010 55.803 0.461 0.000 0.946 477 Q CB 1.184 30.214 28.738 0.486 0.000 1.027 477 Q HN 0.596 nan 8.270 nan 0.000 0.513 478 G N 1.504 110.567 108.800 0.438 0.000 2.131 478 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.201 478 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.201 478 G C 0.039 174.984 174.900 0.075 0.000 1.000 478 G CA 0.253 45.479 45.100 0.211 0.000 0.680 478 G HN 0.335 nan 8.290 nan 0.000 0.514 479 M N 1.594 121.076 119.600 -0.197 0.000 2.251 479 M HA 0.387 4.866 4.480 -0.001 0.000 0.346 479 M C -2.050 174.058 176.300 -0.321 0.000 1.499 479 M CA -1.389 53.483 55.300 -0.714 0.000 1.128 479 M CB 0.657 32.511 32.600 -1.242 0.000 1.809 479 M HN 0.025 nan 8.290 nan 0.000 0.464 480 P HA 0.241 nan 4.420 nan 0.000 0.276 480 P C -1.167 175.946 177.300 -0.313 0.000 1.244 480 P CA -0.294 62.512 63.100 -0.489 0.000 0.801 480 P CB 0.569 31.716 31.700 -0.922 0.000 1.006 481 R N 1.341 121.718 120.500 -0.205 0.000 2.641 481 R HA 0.290 4.629 4.340 -0.001 0.000 0.269 481 R C 0.452 176.818 176.300 0.111 0.000 1.074 481 R CA -0.186 55.849 56.100 -0.109 0.000 1.133 481 R CB 0.014 30.238 30.300 -0.125 0.000 1.029 481 R HN 0.448 nan 8.270 nan 0.000 0.488 482 R N -0.249 120.443 120.500 0.320 0.000 3.654 482 R HA -0.181 4.158 4.340 -0.001 0.000 0.302 482 R C -1.262 175.398 176.300 0.601 0.000 1.166 482 R CA 0.576 56.987 56.100 0.519 0.000 0.810 482 R CB -1.689 28.813 30.300 0.337 0.000 1.323 482 R HN 0.415 nan 8.270 nan 0.000 0.478 483 Y N -0.052 120.319 120.300 0.118 0.000 2.331 483 Y HA 0.284 4.833 4.550 -0.001 0.000 0.338 483 Y C 1.460 176.838 175.900 -0.870 0.000 0.976 483 Y CA -1.639 56.337 58.100 -0.207 0.000 1.137 483 Y CB 0.991 39.407 38.460 -0.073 0.000 1.172 483 Y HN 0.081 nan 8.280 nan 0.000 0.478 484 I N 1.073 121.079 120.570 -0.940 0.000 2.394 484 I HA -0.152 4.018 4.170 -0.001 0.000 0.251 484 I C 0.028 175.783 176.117 -0.604 0.000 1.136 484 I CA 1.602 62.229 61.300 -1.121 0.000 1.425 484 I CB 0.305 38.034 38.000 -0.452 0.000 1.079 484 I HN 0.579 nan 8.210 nan 0.000 0.425 485 D N -1.743 118.456 120.400 -0.335 0.000 2.579 485 D HA 0.388 5.027 4.640 -0.001 0.000 0.257 485 D C -1.621 174.683 176.300 0.007 0.000 1.176 485 D CA -0.346 53.509 54.000 -0.242 0.000 0.914 485 D CB 1.560 42.210 40.800 -0.251 0.000 1.431 485 D HN 0.093 nan 8.370 nan 0.000 0.454 486 Y N -2.117 118.201 120.300 0.030 0.000 2.552 486 Y HA 0.663 5.213 4.550 -0.001 0.000 0.337 486 Y C -2.821 173.206 175.900 0.211 0.000 1.094 486 Y CA -2.296 55.906 58.100 0.171 0.000 1.028 486 Y CB 0.328 38.862 38.460 0.123 0.000 1.321 486 Y HN 0.095 nan 8.280 nan 0.000 0.456 487 P HA 0.110 nan 4.420 nan 0.000 0.266 487 P C 0.953 178.413 177.300 0.267 0.000 1.186 487 P CA 1.225 64.490 63.100 0.274 0.000 0.767 487 P CB 0.683 32.514 31.700 0.218 0.000 0.820 488 E N 2.263 122.516 120.200 0.087 0.000 2.160 488 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 488 E C 2.040 178.674 176.600 0.056 0.000 0.991 488 E CA 1.838 58.276 56.400 0.064 0.000 0.810 488 E CB -1.277 28.419 29.700 -0.007 0.000 0.742 488 E HN 0.574 nan 8.360 nan 0.000 0.466 489 A N -0.473 122.302 122.820 -0.074 0.000 2.070 489 A HA 0.152 4.472 4.320 -0.001 0.000 0.220 489 A C 1.812 179.298 177.584 -0.162 0.000 1.159 489 A CA 1.252 53.178 52.037 -0.184 0.000 0.656 489 A CB -0.546 18.259 19.000 -0.326 0.000 0.800 489 A HN 0.489 nan 8.150 nan 0.000 0.453 490 F N -0.430 119.593 119.950 0.121 0.000 2.811 490 F HA 0.264 4.791 4.527 -0.001 0.000 0.301 490 F C 2.308 178.094 175.800 -0.024 0.000 1.151 490 F CA -0.137 57.868 58.000 0.008 0.000 1.412 490 F CB -0.513 38.378 39.000 -0.181 0.000 1.113 490 F HN 0.250 nan 8.300 nan 0.000 0.579 491 A N 0.051 123.033 122.820 0.270 0.000 1.883 491 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 491 A C 2.366 180.005 177.584 0.092 0.000 1.186 491 A CA 2.472 54.661 52.037 0.253 0.000 0.624 491 A CB -1.208 17.879 19.000 0.144 0.000 0.822 491 A HN 0.309 nan 8.150 nan 0.000 0.444 492 T N -1.132 113.379 114.554 -0.072 0.000 2.622 492 T HA -0.236 4.113 4.350 -0.001 0.000 0.266 492 T C 1.526 176.104 174.700 -0.203 0.000 1.047 492 T CA 1.802 63.735 62.100 -0.277 0.000 1.159 492 T CB -0.433 68.063 68.868 -0.620 0.000 0.863 492 T HN 0.756 nan 8.240 nan 0.000 0.422 493 W N 1.573 122.951 121.300 0.130 0.000 2.584 493 W HA 0.143 4.802 4.660 -0.001 0.000 0.264 493 W C 2.413 178.934 176.519 0.004 0.000 1.264 493 W CA -0.501 56.917 57.345 0.121 0.000 1.306 493 W CB -0.306 29.276 29.460 0.203 0.000 1.110 493 W HN 0.189 nan 8.180 nan 0.000 0.606 494 N N 0.289 119.055 118.700 0.109 0.000 2.188 494 N HA -0.170 4.569 4.740 -0.001 0.000 0.184 494 N C 1.497 177.042 175.510 0.057 0.000 1.018 494 N CA 1.270 54.293 53.050 -0.045 0.000 0.858 494 N CB -0.636 37.712 38.487 -0.233 0.000 0.989 494 N HN 0.145 nan 8.380 nan 0.000 0.426 495 F N 2.057 122.004 119.950 -0.004 0.000 2.084 495 F HA -0.132 4.395 4.527 -0.001 0.000 0.296 495 F C 2.254 178.041 175.800 -0.021 0.000 1.111 495 F CA 0.946 58.944 58.000 -0.003 0.000 1.224 495 F CB -0.497 38.501 39.000 -0.004 0.000 0.991 495 F HN -0.260 nan 8.300 nan 0.000 0.471 496 V N -0.456 119.511 119.914 0.088 0.000 2.287 496 V HA -0.331 3.788 4.120 -0.001 0.000 0.248 496 V C 2.675 178.716 176.094 -0.089 0.000 1.053 496 V CA 2.111 64.434 62.300 0.039 0.000 1.027 496 V CB -1.281 30.741 31.823 0.331 0.000 0.646 496 V HN 0.531 nan 8.190 nan 0.000 0.447 497 S N -0.492 115.167 115.700 -0.068 0.000 2.370 497 S HA -0.226 4.243 4.470 -0.001 0.000 0.226 497 S C 2.206 176.564 174.600 -0.402 0.000 1.033 497 S CA 2.169 60.234 58.200 -0.224 0.000 1.011 497 S CB -0.322 62.750 63.200 -0.213 0.000 0.852 497 S HN 0.612 nan 8.310 nan 0.000 0.457 498 S N 1.277 116.710 115.700 -0.446 0.000 2.368 498 S HA 0.094 4.564 4.470 -0.001 0.000 0.224 498 S C 1.776 175.701 174.600 -1.126 0.000 1.029 498 S CA 1.183 58.926 58.200 -0.762 0.000 0.988 498 S CB -0.430 62.425 63.200 -0.575 0.000 0.838 498 S HN 0.475 nan 8.310 nan 0.000 0.462 499 L N 0.918 121.720 121.223 -0.702 0.000 2.046 499 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 499 L C 2.796 179.501 176.870 -0.274 0.000 1.077 499 L CA 1.314 55.906 54.840 -0.413 0.000 0.747 499 L CB -1.347 40.513 42.059 -0.332 0.000 0.896 499 L HN 0.418 nan 8.230 nan 0.000 0.432 500 G N -0.121 108.509 108.800 -0.283 0.000 2.476 500 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.218 500 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.218 500 G C 1.751 176.513 174.900 -0.230 0.000 1.164 500 G CA 0.966 45.937 45.100 -0.215 0.000 0.768 500 G HN 0.487 nan 8.290 nan 0.000 0.560 501 A N 0.186 122.768 122.820 -0.396 0.000 1.972 501 A HA 0.142 4.461 4.320 -0.001 0.000 0.219 501 A C 2.147 179.717 177.584 -0.024 0.000 1.169 501 A CA 1.486 53.339 52.037 -0.307 0.000 0.635 501 A CB -0.449 18.282 19.000 -0.448 0.000 0.810 501 A HN 0.270 nan 8.150 nan 0.000 0.446 502 F N -0.661 119.281 119.950 -0.013 0.000 2.146 502 F HA -0.056 4.470 4.527 -0.001 0.000 0.298 502 F C 2.020 177.903 175.800 0.139 0.000 1.096 502 F CA 0.742 58.788 58.000 0.076 0.000 1.275 502 F CB -1.177 37.834 39.000 0.019 0.000 1.008 502 F HN 0.258 nan 8.300 nan 0.000 0.480 503 L N -0.049 121.318 121.223 0.240 0.000 2.046 503 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 503 L C 2.312 179.300 176.870 0.198 0.000 1.077 503 L CA 1.816 56.763 54.840 0.178 0.000 0.747 503 L CB -1.207 40.912 42.059 0.100 0.000 0.896 503 L HN 0.004 nan 8.230 nan 0.000 0.432 504 S N -0.645 115.164 115.700 0.182 0.000 2.382 504 S HA -0.187 4.282 4.470 -0.001 0.000 0.228 504 S C 1.786 176.601 174.600 0.358 0.000 1.027 504 S CA 1.492 59.829 58.200 0.227 0.000 0.991 504 S CB -0.703 62.590 63.200 0.154 0.000 0.823 504 S HN 0.538 nan 8.310 nan 0.000 0.469 505 F N 2.717 122.797 119.950 0.215 0.000 2.113 505 F HA -0.015 4.511 4.527 -0.001 0.000 0.297 505 F C 2.386 178.370 175.800 0.306 0.000 1.103 505 F CA 0.693 58.857 58.000 0.274 0.000 1.248 505 F CB -0.979 38.170 39.000 0.249 0.000 0.999 505 F HN 0.170 nan 8.300 nan 0.000 0.475 506 A N -0.267 122.680 122.820 0.211 0.000 1.917 506 A HA -0.259 4.061 4.320 -0.001 0.000 0.219 506 A C 2.418 180.096 177.584 0.156 0.000 1.182 506 A CA 2.440 54.542 52.037 0.109 0.000 0.633 506 A CB -1.497 17.594 19.000 0.151 0.000 0.819 506 A HN 0.528 nan 8.150 nan 0.000 0.448 507 S N -1.752 114.086 115.700 0.230 0.000 2.402 507 S HA -0.128 4.342 4.470 -0.001 0.000 0.229 507 S C 1.778 176.616 174.600 0.396 0.000 1.021 507 S CA 1.430 59.818 58.200 0.314 0.000 0.974 507 S CB -0.544 62.853 63.200 0.328 0.000 0.800 507 S HN 0.501 nan 8.310 nan 0.000 0.484 508 F N 1.805 121.868 119.950 0.189 0.000 2.293 508 F HA 0.357 4.883 4.527 -0.001 0.000 0.297 508 F C 1.814 177.693 175.800 0.132 0.000 1.089 508 F CA 0.477 58.595 58.000 0.197 0.000 1.377 508 F CB -0.226 38.923 39.000 0.249 0.000 1.051 508 F HN 0.156 nan 8.300 nan 0.000 0.511 509 L N -1.283 119.919 121.223 -0.036 0.000 2.056 509 L HA -0.195 4.144 4.340 -0.001 0.000 0.207 509 L C 2.376 179.203 176.870 -0.072 0.000 1.078 509 L CA 1.299 56.044 54.840 -0.158 0.000 0.749 509 L CB -0.891 41.027 42.059 -0.235 0.000 0.901 509 L HN 0.156 nan 8.230 nan 0.000 0.433 510 F N 0.499 120.394 119.950 -0.091 0.000 2.126 510 F HA -0.319 4.207 4.527 -0.001 0.000 0.299 510 F C 2.367 178.079 175.800 -0.146 0.000 1.096 510 F CA 1.529 59.490 58.000 -0.064 0.000 1.255 510 F CB -0.302 38.711 39.000 0.020 0.000 0.997 510 F HN 0.020 nan 8.300 nan 0.000 0.479 511 F N 0.676 120.455 119.950 -0.285 0.000 2.171 511 F HA -0.187 4.340 4.527 -0.001 0.000 0.300 511 F C 1.730 177.250 175.800 -0.467 0.000 1.090 511 F CA 1.736 59.380 58.000 -0.593 0.000 1.293 511 F CB -0.625 37.767 39.000 -1.014 0.000 1.013 511 F HN -0.031 nan 8.300 nan 0.000 0.486 512 L N 0.081 120.940 121.223 -0.605 0.000 2.093 512 L HA -0.075 4.264 4.340 -0.001 0.000 0.208 512 L C 2.853 179.499 176.870 -0.373 0.000 1.085 512 L CA 1.187 55.686 54.840 -0.569 0.000 0.755 512 L CB -1.581 40.255 42.059 -0.371 0.000 0.904 512 L HN 0.341 nan 8.230 nan 0.000 0.435 513 G N -0.266 108.337 108.800 -0.327 0.000 2.418 513 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.217 513 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.217 513 G C 1.601 176.365 174.900 -0.227 0.000 1.158 513 G CA 0.902 45.867 45.100 -0.225 0.000 0.771 513 G HN 0.167 nan 8.290 nan 0.000 0.545 514 V N 1.633 121.274 119.914 -0.455 0.000 2.261 514 V HA -0.164 3.955 4.120 -0.001 0.000 0.246 514 V C 2.814 178.773 176.094 -0.225 0.000 1.047 514 V CA 1.336 63.416 62.300 -0.366 0.000 1.015 514 V CB -0.378 31.211 31.823 -0.390 0.000 0.642 514 V HN 0.282 nan 8.190 nan 0.000 0.446 515 I N -0.562 119.747 120.570 -0.435 0.000 2.208 515 I HA -0.269 3.900 4.170 -0.001 0.000 0.245 515 I C 2.368 178.423 176.117 -0.103 0.000 1.097 515 I CA 2.028 63.116 61.300 -0.352 0.000 1.363 515 I CB -1.118 36.530 38.000 -0.587 0.000 1.051 515 I HN 0.362 nan 8.210 nan 0.000 0.413 516 F N 1.327 121.167 119.950 -0.184 0.000 2.075 516 F HA -0.301 4.225 4.527 -0.001 0.000 0.297 516 F C 2.797 178.577 175.800 -0.034 0.000 1.113 516 F CA 1.675 59.625 58.000 -0.082 0.000 1.218 516 F CB -0.952 38.002 39.000 -0.077 0.000 0.984 516 F HN 0.068 nan 8.300 nan 0.000 0.472 517 Y N 0.782 121.000 120.300 -0.136 0.000 2.207 517 Y HA -0.239 4.310 4.550 -0.001 0.000 0.287 517 Y C 2.376 178.166 175.900 -0.184 0.000 1.156 517 Y CA 2.390 60.382 58.100 -0.180 0.000 1.182 517 Y CB -0.890 37.529 38.460 -0.068 0.000 0.979 517 Y HN 0.073 nan 8.280 nan 0.000 0.521 518 T N 1.186 115.720 114.554 -0.033 0.000 2.674 518 T HA -0.171 4.179 4.350 -0.001 0.000 0.265 518 T C 1.807 176.391 174.700 -0.193 0.000 1.039 518 T CA 1.930 63.989 62.100 -0.068 0.000 1.150 518 T CB -0.487 68.403 68.868 0.038 0.000 0.864 518 T HN 0.334 nan 8.240 nan 0.000 0.427 519 L N 0.453 121.564 121.223 -0.187 0.000 2.478 519 L HA 0.022 4.362 4.340 -0.001 0.000 0.223 519 L C 2.502 179.211 176.870 -0.269 0.000 1.140 519 L CA 0.709 55.449 54.840 -0.167 0.000 0.842 519 L CB -0.558 41.464 42.059 -0.062 0.000 0.953 519 L HN 0.271 nan 8.230 nan 0.000 0.452 520 T N -0.785 113.511 114.554 -0.431 0.000 2.990 520 T HA 0.067 4.416 4.350 -0.001 0.000 0.237 520 T C 1.810 176.257 174.700 -0.422 0.000 1.009 520 T CA 1.285 63.096 62.100 -0.482 0.000 1.195 520 T CB 0.135 68.551 68.868 -0.753 0.000 0.885 520 T HN 0.347 nan 8.240 nan 0.000 0.424 521 R N 1.212 121.350 120.500 -0.602 0.000 2.629 521 R HA 0.611 4.950 4.340 -0.001 0.000 0.408 521 R C 0.561 176.444 176.300 -0.695 0.000 1.057 521 R CA 0.084 55.833 56.100 -0.585 0.000 1.119 521 R CB -0.199 29.769 30.300 -0.554 0.000 1.403 521 R HN 0.422 nan 8.270 nan 0.000 0.576 522 G N 0.210 108.674 108.800 -0.560 0.000 2.353 522 G HA2 0.520 4.480 3.960 -0.001 0.000 0.284 522 G HA3 0.520 4.480 3.960 -0.001 0.000 0.284 522 G C 0.550 175.356 174.900 -0.156 0.000 1.172 522 G CA 0.224 45.142 45.100 -0.304 0.000 0.854 522 G HN 0.997 nan 8.290 nan 0.000 0.485 523 A N 1.481 124.259 122.820 -0.069 0.000 2.592 523 A HA 0.448 4.767 4.320 -0.001 0.000 0.250 523 A C 1.340 178.863 177.584 -0.101 0.000 1.017 523 A CA 0.858 52.856 52.037 -0.065 0.000 0.794 523 A CB -0.510 18.466 19.000 -0.039 0.000 0.917 523 A HN 1.642 nan 8.150 nan 0.000 0.515 524 R N 2.202 122.648 120.500 -0.090 0.000 2.623 524 R HA 0.448 4.788 4.340 -0.001 0.000 0.271 524 R C -0.030 176.211 176.300 -0.099 0.000 1.043 524 R CA 0.347 56.393 56.100 -0.090 0.000 1.083 524 R CB -0.197 30.063 30.300 -0.067 0.000 0.974 524 R HN 1.078 nan 8.270 nan 0.000 0.436 525 V N 2.204 122.053 119.914 -0.109 0.000 2.498 525 V HA 0.285 4.404 4.120 -0.001 0.000 0.279 525 V C 1.585 177.658 176.094 -0.035 0.000 1.048 525 V CA 0.516 62.748 62.300 -0.113 0.000 0.967 525 V CB 1.348 33.074 31.823 -0.162 0.000 0.988 525 V HN 1.123 nan 8.190 nan 0.000 0.473 526 T N 1.495 116.042 114.554 -0.012 0.000 3.056 526 T HA 0.322 4.671 4.350 -0.001 0.000 0.241 526 T C 0.874 175.602 174.700 0.047 0.000 1.006 526 T CA 0.565 62.672 62.100 0.013 0.000 1.115 526 T CB 0.192 69.062 68.868 0.004 0.000 0.939 526 T HN 0.774 nan 8.240 nan 0.000 0.462 527 A N 1.897 124.761 122.820 0.072 0.000 2.351 527 A HA 0.516 4.835 4.320 -0.001 0.000 0.257 527 A C 1.074 178.753 177.584 0.159 0.000 1.087 527 A CA -0.503 51.595 52.037 0.100 0.000 0.798 527 A CB 0.124 19.180 19.000 0.093 0.000 1.033 527 A HN 0.312 nan 8.150 nan 0.000 0.488 528 N N 0.628 119.410 118.700 0.137 0.000 2.106 528 N HA -0.083 4.656 4.740 -0.001 0.000 0.188 528 N C 0.219 175.875 175.510 0.244 0.000 1.029 528 N CA 1.335 54.489 53.050 0.174 0.000 0.848 528 N CB -0.104 38.464 38.487 0.134 0.000 1.007 528 N HN 0.681 nan 8.380 nan 0.000 0.423 529 N N 0.381 119.170 118.700 0.149 0.000 2.626 529 N HA 0.021 4.760 4.740 -0.001 0.000 0.242 529 N C -0.654 174.767 175.510 -0.149 0.000 1.005 529 N CA -0.412 52.641 53.050 0.005 0.000 0.905 529 N CB 0.202 38.686 38.487 -0.004 0.000 1.128 529 N HN 0.205 nan 8.380 nan 0.000 0.512 530 Y N 1.069 121.254 120.300 -0.191 0.000 2.462 530 Y HA 0.380 4.930 4.550 -0.001 0.000 0.293 530 Y C 0.699 176.337 175.900 -0.435 0.000 1.195 530 Y CA -0.789 57.118 58.100 -0.322 0.000 1.276 530 Y CB -0.317 37.912 38.460 -0.385 0.000 1.082 530 Y HN 0.348 nan 8.280 nan 0.000 0.514 531 W N 1.839 122.926 121.300 -0.356 0.000 3.695 531 W HA 0.238 4.897 4.660 -0.001 0.000 0.238 531 W C 0.002 176.370 176.519 -0.252 0.000 1.486 531 W CA 0.205 57.355 57.345 -0.324 0.000 2.366 531 W CB 0.002 29.061 29.460 -0.668 0.000 1.392 531 W HN 0.089 nan 8.180 nan 0.000 0.556 532 N N -1.422 117.242 118.700 -0.061 0.000 3.227 532 N HA -0.004 4.735 4.740 -0.001 0.000 0.241 532 N C -0.009 175.417 175.510 -0.140 0.000 1.480 532 N CA -0.416 52.594 53.050 -0.067 0.000 0.886 532 N CB 0.428 38.911 38.487 -0.007 0.000 1.406 532 N HN 0.083 nan 8.380 nan 0.000 0.514 533 E N -0.557 119.561 120.200 -0.136 0.000 2.401 533 E HA -0.189 4.160 4.350 -0.001 0.000 0.199 533 E C 0.079 176.480 176.600 -0.331 0.000 1.023 533 E CA 1.395 57.657 56.400 -0.230 0.000 0.859 533 E CB -0.572 28.969 29.700 -0.265 0.000 0.780 533 E HN 0.739 nan 8.360 nan 0.000 0.523 534 H N 1.034 120.027 119.070 -0.129 0.000 2.551 534 H HA 0.326 4.881 4.556 -0.001 0.000 0.266 534 H C 0.663 175.899 175.328 -0.154 0.000 0.964 534 H CA 0.582 56.557 56.048 -0.121 0.000 1.180 534 H CB 0.369 30.059 29.762 -0.119 0.000 1.408 534 H HN 0.210 nan 8.280 nan 0.000 0.563 535 A N 2.048 124.763 122.820 -0.175 0.000 2.797 535 A HA 0.060 4.379 4.320 -0.001 0.000 0.296 535 A C -0.030 177.505 177.584 -0.082 0.000 1.580 535 A CA -0.237 51.639 52.037 -0.268 0.000 1.277 535 A CB -0.579 17.890 19.000 -0.884 0.000 1.101 535 A HN 0.429 nan 8.150 nan 0.000 0.562 536 D N 1.347 121.786 120.400 0.065 0.000 2.755 536 D HA 0.109 4.749 4.640 -0.001 0.000 0.257 536 D C 0.247 176.646 176.300 0.166 0.000 1.291 536 D CA 0.066 54.121 54.000 0.091 0.000 0.836 536 D CB -0.415 40.390 40.800 0.009 0.000 1.059 536 D HN 0.340 nan 8.370 nan 0.000 0.486 537 T N -3.286 111.473 114.554 0.341 0.000 2.940 537 T HA 0.428 4.777 4.350 -0.001 0.000 0.288 537 T C 1.523 176.414 174.700 0.319 0.000 1.033 537 T CA -0.925 61.346 62.100 0.284 0.000 1.033 537 T CB 1.435 70.439 68.868 0.226 0.000 1.079 537 T HN -0.029 nan 8.240 nan 0.000 0.496 538 L N 0.830 122.197 121.223 0.240 0.000 2.187 538 L HA -0.100 4.239 4.340 -0.001 0.000 0.213 538 L C 2.996 179.951 176.870 0.141 0.000 1.100 538 L CA 1.516 56.464 54.840 0.179 0.000 0.765 538 L CB -0.698 41.446 42.059 0.141 0.000 0.904 538 L HN 0.856 nan 8.230 nan 0.000 0.437 539 E N 0.171 120.438 120.200 0.112 0.000 2.268 539 E HA -0.245 4.105 4.350 -0.001 0.000 0.195 539 E C 1.600 178.101 176.600 -0.165 0.000 0.995 539 E CA 1.238 57.598 56.400 -0.066 0.000 0.836 539 E CB -0.448 29.192 29.700 -0.100 0.000 0.763 539 E HN 0.640 nan 8.360 nan 0.000 0.491 540 W N 1.300 122.704 121.300 0.173 0.000 3.047 540 W HA 0.144 4.803 4.660 -0.001 0.000 0.250 540 W C 1.964 178.518 176.519 0.057 0.000 1.314 540 W CA 0.489 57.883 57.345 0.082 0.000 1.540 540 W CB 0.274 29.764 29.460 0.050 0.000 1.127 540 W HN -0.035 nan 8.180 nan 0.000 0.679 541 T N 1.018 115.700 114.554 0.213 0.000 2.942 541 T HA 0.052 4.401 4.350 -0.001 0.000 0.265 541 T C 0.998 175.757 174.700 0.097 0.000 1.062 541 T CA 0.620 62.801 62.100 0.134 0.000 1.139 541 T CB -0.136 68.794 68.868 0.103 0.000 0.883 541 T HN -0.163 nan 8.240 nan 0.000 0.468 542 L N 0.730 122.002 121.223 0.082 0.000 2.469 542 L HA 0.361 4.701 4.340 -0.001 0.000 0.253 542 L C 0.907 177.819 176.870 0.070 0.000 1.143 542 L CA -0.903 53.969 54.840 0.053 0.000 0.804 542 L CB 0.178 42.251 42.059 0.023 0.000 1.214 542 L HN -0.074 nan 8.230 nan 0.000 0.476 543 T N -0.485 114.100 114.554 0.052 0.000 2.726 543 T HA 0.163 4.512 4.350 -0.001 0.000 0.294 543 T C -0.027 174.721 174.700 0.080 0.000 1.013 543 T CA -0.369 61.768 62.100 0.063 0.000 0.996 543 T CB 0.735 69.624 68.868 0.036 0.000 1.016 543 T HN 0.548 nan 8.240 nan 0.000 0.529 544 S N 2.907 118.664 115.700 0.096 0.000 2.622 544 S HA 0.424 4.893 4.470 -0.001 0.000 0.283 544 S C -2.532 172.106 174.600 0.063 0.000 1.197 544 S CA -1.080 57.190 58.200 0.116 0.000 1.146 544 S CB 1.010 64.330 63.200 0.200 0.000 1.007 544 S HN 0.438 nan 8.310 nan 0.000 0.478 545 P HA 0.401 nan 4.420 nan 0.000 0.276 545 P C -2.732 174.585 177.300 0.028 0.000 1.244 545 P CA -1.724 61.409 63.100 0.054 0.000 0.801 545 P CB -0.373 31.348 31.700 0.035 0.000 1.006 546 P HA 0.174 nan 4.420 nan 0.000 0.269 546 P C -2.273 174.993 177.300 -0.057 0.000 1.215 546 P CA -0.816 62.269 63.100 -0.026 0.000 0.780 546 P CB -1.185 30.476 31.700 -0.064 0.000 0.898 547 P HA 0.068 nan 4.420 nan 0.000 0.269 547 P C 1.235 178.479 177.300 -0.093 0.000 1.209 547 P CA 0.295 63.360 63.100 -0.059 0.000 0.776 547 P CB 0.112 31.787 31.700 -0.043 0.000 0.876 548 E N 0.564 120.709 120.200 -0.091 0.000 2.065 548 E HA -0.237 4.112 4.350 -0.001 0.000 0.201 548 E C 1.302 177.832 176.600 -0.118 0.000 1.016 548 E CA 2.410 58.742 56.400 -0.113 0.000 0.818 548 E CB -1.885 27.763 29.700 -0.087 0.000 0.749 548 E HN 0.857 nan 8.360 nan 0.000 0.453 549 H N 0.000 119.020 119.070 -0.083 0.000 2.539 549 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 549 H CA 0.000 56.006 56.048 -0.069 0.000 1.023 549 H CB 0.000 29.732 29.762 -0.050 0.000 1.292 549 H HN 0.000 nan 8.280 nan 0.000 0.496