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 3o4j_1_D DATA FIRST_RESID 6 DATA SEQUENCE PVEFSRIVRD VERLIAVEKY SLQGVVDGDK LLVVGFSEGS VNAYLYDGGE DATA SEQUENCE TVKLNREPIN SVLDPHYGVG RVILVRDVSK GAEQHALFKV NTSRPGEEQR DATA SEQUENCE LEAVKPMRIL SGVDTGEAVV FTGATEDRVA LYALDGGGLR ELARLPGFGF DATA SEQUENCE VSDIRGDLIA GLGFFGGGRV SLFTSNLSSG GLRVFDSGEG SFSSASISPG DATA SEQUENCE MKVTAGLETA REARLVTVDP RDGSVEDLEL PSKDFSSYRP TAITWLGYLP DATA SEQUENCE DGRLAVVARR EGRSAVFIDG ERVEAPQGNH GRVVLWRGKL VTSHTSLSTP DATA SEQUENCE PRIVSLPSGE PLLEGGLPED LRRSIAGSRL VWVESFDGSR VPTYVLESGR DATA SEQUENCE APTPGPTVVL VHGGPFAEDS DSWDTFAASL AAAGFHVVMP NYRGSTGYGE DATA SEQUENCE EWRLKIIGDP CGGELEDVSA AARWARESGL ASELYIMGYS YGGYMTLCAL DATA SEQUENCE TMKPGLFKAG VAGASVVDWE EMYELSDAAF RNFIEQLTGG SREIMRSRSP DATA SEQUENCE INHVDRIKEP LALIHPQNNS RTPLKPLLRL MGELLARGKT FEAHIIPDAG DATA SEQUENCE HAINTMEDAV KILLPAVFFL ATQRER 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.211 177.300 -0.149 0.000 1.155 6 P CA 0.000 63.050 63.100 -0.084 0.000 0.800 6 P CB 0.000 31.674 31.700 -0.043 0.000 0.726 7 V N 1.433 121.196 119.914 -0.252 0.000 2.585 7 V HA 0.057 4.173 4.120 -0.007 0.000 0.296 7 V C 0.785 176.587 176.094 -0.486 0.000 1.035 7 V CA 0.123 62.134 62.300 -0.482 0.000 1.084 7 V CB 0.146 31.418 31.823 -0.919 0.000 0.953 7 V HN 0.463 nan 8.190 nan 0.000 0.483 8 E N 4.448 124.438 120.200 -0.350 0.000 1.932 8 E HA 0.200 4.545 4.350 -0.007 0.000 0.259 8 E C -0.003 176.487 176.600 -0.183 0.000 1.099 8 E CA -0.115 56.179 56.400 -0.178 0.000 0.970 8 E CB 0.258 29.903 29.700 -0.092 0.000 1.143 8 E HN 0.629 nan 8.360 nan 0.000 0.441 9 F N 1.251 121.097 119.950 -0.175 0.000 2.075 9 F HA -0.264 4.260 4.527 -0.006 0.000 0.297 9 F C 2.791 178.591 175.800 0.001 0.000 1.113 9 F CA 1.749 59.577 58.000 -0.287 0.000 1.218 9 F CB -0.410 38.304 39.000 -0.477 0.000 0.984 9 F HN 0.352 nan 8.300 nan 0.000 0.472 10 S N 0.166 115.992 115.700 0.209 0.000 2.423 10 S HA -0.212 4.254 4.470 -0.007 0.000 0.231 10 S C 2.042 176.719 174.600 0.129 0.000 1.014 10 S CA 0.976 59.275 58.200 0.166 0.000 0.965 10 S CB -0.702 62.562 63.200 0.106 0.000 0.785 10 S HN 0.418 nan 8.310 nan 0.000 0.495 11 R N 1.242 121.797 120.500 0.091 0.000 2.081 11 R HA 0.065 4.400 4.340 -0.007 0.000 0.235 11 R C 2.161 178.515 176.300 0.090 0.000 1.131 11 R CA 1.629 57.767 56.100 0.064 0.000 0.960 11 R CB -0.537 29.778 30.300 0.025 0.000 0.856 11 R HN 0.500 nan 8.270 nan 0.000 0.436 12 I N 0.314 120.965 120.570 0.134 0.000 2.226 12 I HA -0.252 3.913 4.170 -0.007 0.000 0.245 12 I C 2.154 178.369 176.117 0.163 0.000 1.100 12 I CA 0.972 62.377 61.300 0.175 0.000 1.374 12 I CB -0.119 38.069 38.000 0.314 0.000 1.057 12 I HN 0.047 nan 8.210 nan 0.000 0.413 13 V N 0.632 120.677 119.914 0.219 0.000 2.343 13 V HA -0.257 3.859 4.120 -0.007 0.000 0.247 13 V C 2.539 178.677 176.094 0.073 0.000 1.051 13 V CA 1.784 64.165 62.300 0.135 0.000 1.036 13 V CB -0.766 31.166 31.823 0.182 0.000 0.654 13 V HN 0.361 nan 8.190 nan 0.000 0.451 14 R N -0.212 120.334 120.500 0.077 0.000 2.092 14 R HA -0.143 4.193 4.340 -0.007 0.000 0.231 14 R C 2.076 178.402 176.300 0.042 0.000 1.119 14 R CA 1.621 57.752 56.100 0.051 0.000 0.970 14 R CB -0.333 29.996 30.300 0.049 0.000 0.864 14 R HN 0.527 nan 8.270 nan 0.000 0.440 15 D N -0.081 120.348 120.400 0.048 0.000 2.103 15 D HA -0.095 4.541 4.640 -0.007 0.000 0.199 15 D C 1.964 178.283 176.300 0.031 0.000 0.978 15 D CA 0.932 54.959 54.000 0.044 0.000 0.829 15 D CB -0.162 40.667 40.800 0.048 0.000 0.981 15 D HN -0.041 nan 8.370 nan 0.000 0.464 16 V N 1.223 121.142 119.914 0.008 0.000 2.392 16 V HA -0.225 3.891 4.120 -0.007 0.000 0.249 16 V C 2.419 178.501 176.094 -0.021 0.000 1.059 16 V CA 1.772 64.052 62.300 -0.034 0.000 1.051 16 V CB -0.453 31.319 31.823 -0.086 0.000 0.658 16 V HN 0.257 nan 8.190 nan 0.000 0.455 17 E N 0.074 120.271 120.200 -0.006 0.000 2.153 17 E HA -0.230 4.115 4.350 -0.007 0.000 0.194 17 E C 2.409 179.018 176.600 0.014 0.000 0.988 17 E CA 1.170 57.570 56.400 -0.000 0.000 0.811 17 E CB -0.008 29.696 29.700 0.007 0.000 0.746 17 E HN 0.546 nan 8.360 nan 0.000 0.466 18 R N -0.206 120.310 120.500 0.027 0.000 2.093 18 R HA 0.013 4.348 4.340 -0.007 0.000 0.224 18 R C 2.483 178.818 176.300 0.058 0.000 1.101 18 R CA 0.813 56.935 56.100 0.036 0.000 0.979 18 R CB -0.051 30.272 30.300 0.039 0.000 0.877 18 R HN 0.247 nan 8.270 nan 0.000 0.441 19 L N 0.347 121.622 121.223 0.087 0.000 2.156 19 L HA -0.085 4.251 4.340 -0.007 0.000 0.208 19 L C 2.181 179.141 176.870 0.150 0.000 1.095 19 L CA 0.555 55.501 54.840 0.178 0.000 0.770 19 L CB -0.197 41.980 42.059 0.196 0.000 0.914 19 L HN 0.147 nan 8.230 nan 0.000 0.439 20 I N 0.332 120.939 120.570 0.061 0.000 2.394 20 I HA -0.180 3.985 4.170 -0.007 0.000 0.251 20 I C 2.467 178.605 176.117 0.034 0.000 1.136 20 I CA 1.393 62.715 61.300 0.036 0.000 1.425 20 I CB -0.860 37.134 38.000 -0.010 0.000 1.079 20 I HN 0.185 nan 8.210 nan 0.000 0.425 21 A N 0.070 122.903 122.820 0.022 0.000 2.195 21 A HA 0.068 4.383 4.320 -0.007 0.000 0.210 21 A C 1.216 178.791 177.584 -0.015 0.000 1.165 21 A CA -0.028 52.013 52.037 0.006 0.000 0.806 21 A CB -0.284 18.719 19.000 0.005 0.000 0.847 21 A HN 0.114 nan 8.150 nan 0.000 0.482 22 V N 1.221 121.121 119.914 -0.024 0.000 2.599 22 V HA 0.074 4.189 4.120 -0.007 0.000 0.300 22 V C 0.278 176.293 176.094 -0.131 0.000 1.034 22 V CA -0.126 62.128 62.300 -0.078 0.000 1.115 22 V CB 0.593 32.344 31.823 -0.121 0.000 0.934 22 V HN 0.602 nan 8.190 nan 0.000 0.485 23 E N 5.385 125.491 120.200 -0.157 0.000 2.344 23 E HA 0.293 4.639 4.350 -0.007 0.000 0.270 23 E C -0.452 175.900 176.600 -0.414 0.000 1.021 23 E CA -0.083 56.148 56.400 -0.281 0.000 0.887 23 E CB 0.576 30.070 29.700 -0.344 0.000 0.997 23 E HN 0.725 nan 8.360 nan 0.000 0.429 24 K N 3.050 123.209 120.400 -0.401 0.000 2.203 24 K HA 0.390 4.705 4.320 -0.007 0.000 0.251 24 K C -1.339 175.068 176.600 -0.322 0.000 0.944 24 K CA -0.644 55.432 56.287 -0.352 0.000 0.829 24 K CB 1.384 33.675 32.500 -0.347 0.000 1.125 24 K HN 0.399 nan 8.250 nan 0.000 0.430 25 Y N 0.123 120.422 120.300 -0.001 0.000 2.425 25 Y HA 0.333 4.879 4.550 -0.008 0.000 0.344 25 Y C 0.062 175.996 175.900 0.057 0.000 0.969 25 Y CA -0.772 57.368 58.100 0.067 0.000 1.052 25 Y CB 2.344 40.775 38.460 -0.047 0.000 1.215 25 Y HN 0.645 nan 8.280 nan 0.000 0.451 26 S N 2.540 118.415 115.700 0.292 0.000 2.600 26 S HA 0.759 5.225 4.470 -0.007 0.000 0.300 26 S C -1.643 172.996 174.600 0.065 0.000 1.087 26 S CA -0.846 57.442 58.200 0.146 0.000 0.965 26 S CB 1.987 65.297 63.200 0.184 0.000 1.089 26 S HN 0.579 nan 8.310 nan 0.000 0.496 27 L N 1.869 123.072 121.223 -0.034 0.000 2.296 27 L HA 0.556 4.892 4.340 -0.007 0.000 0.286 27 L C 0.656 177.454 176.870 -0.121 0.000 1.023 27 L CA -0.009 54.767 54.840 -0.106 0.000 0.812 27 L CB 1.346 43.307 42.059 -0.163 0.000 1.223 27 L HN 0.816 nan 8.230 nan 0.000 0.421 28 Q N 3.681 123.413 119.800 -0.114 0.000 2.442 28 Q HA 0.506 4.842 4.340 -0.007 0.000 0.228 28 Q C 0.570 176.488 176.000 -0.136 0.000 0.902 28 Q CA 0.710 56.455 55.803 -0.098 0.000 0.933 28 Q CB 1.190 29.895 28.738 -0.056 0.000 1.071 28 Q HN 0.912 nan 8.270 nan 0.000 0.562 29 G N -0.415 108.269 108.800 -0.193 0.000 2.360 29 G HA2 0.306 4.262 3.960 -0.007 0.000 0.276 29 G HA3 0.306 4.262 3.960 -0.007 0.000 0.276 29 G C -1.783 172.922 174.900 -0.326 0.000 1.256 29 G CA -0.501 44.422 45.100 -0.296 0.000 0.890 29 G HN -0.090 nan 8.290 nan 0.000 0.486 30 V N 0.906 120.571 119.914 -0.415 0.000 2.487 30 V HA 0.752 4.868 4.120 -0.007 0.000 0.298 30 V C 0.377 176.404 176.094 -0.112 0.000 1.028 30 V CA -0.105 62.049 62.300 -0.244 0.000 0.860 30 V CB 0.887 32.640 31.823 -0.116 0.000 0.991 30 V HN 1.565 nan 8.190 nan 0.000 0.427 31 V N 1.327 121.221 119.914 -0.032 0.000 3.156 31 V HA 0.937 5.052 4.120 -0.007 0.000 0.310 31 V C -0.226 175.900 176.094 0.052 0.000 1.234 31 V CA -0.131 62.178 62.300 0.014 0.000 1.065 31 V CB 1.586 33.407 31.823 -0.004 0.000 1.088 31 V HN 0.893 nan 8.190 nan 0.000 0.451 32 D N 0.495 120.929 120.400 0.056 0.000 3.455 32 D HA -0.079 4.557 4.640 -0.007 0.000 0.216 32 D C 0.590 176.937 176.300 0.078 0.000 1.510 32 D CA 1.989 56.024 54.000 0.059 0.000 1.128 32 D CB -1.419 39.411 40.800 0.050 0.000 0.680 32 D HN 1.853 nan 8.370 nan 0.000 0.828 33 G N 0.212 109.058 108.800 0.077 0.000 2.985 33 G HA2 0.379 4.335 3.960 -0.007 0.000 0.282 33 G HA3 0.379 4.335 3.960 -0.007 0.000 0.282 33 G C -0.350 174.629 174.900 0.130 0.000 0.791 33 G CA 0.737 45.889 45.100 0.088 0.000 1.934 33 G HN 0.741 nan 8.290 nan 0.000 0.563 34 D N 0.077 120.581 120.400 0.174 0.000 2.746 34 D HA -0.149 4.486 4.640 -0.007 0.000 0.241 34 D C 0.272 176.837 176.300 0.441 0.000 1.140 34 D CA 1.167 55.341 54.000 0.290 0.000 0.707 34 D CB -0.598 40.321 40.800 0.199 0.000 1.034 34 D HN 0.492 nan 8.370 nan 0.000 0.423 35 K N 0.504 121.065 120.400 0.268 0.000 2.371 35 K HA 0.468 4.784 4.320 -0.007 0.000 0.251 35 K C 0.297 176.837 176.600 -0.100 0.000 0.934 35 K CA -1.050 55.333 56.287 0.160 0.000 0.798 35 K CB 1.649 34.203 32.500 0.089 0.000 1.204 35 K HN 0.066 nan 8.250 nan 0.000 0.427 36 L N 2.689 123.688 121.223 -0.374 0.000 2.426 36 L HA 0.159 4.495 4.340 -0.007 0.000 0.271 36 L C -0.093 176.670 176.870 -0.179 0.000 1.169 36 L CA -0.584 53.989 54.840 -0.446 0.000 0.836 36 L CB 0.125 41.820 42.059 -0.606 0.000 1.112 36 L HN 0.334 nan 8.230 nan 0.000 0.465 37 L N 5.193 126.316 121.223 -0.167 0.000 2.265 37 L HA 0.518 4.854 4.340 -0.007 0.000 0.289 37 L C -0.286 176.539 176.870 -0.074 0.000 1.033 37 L CA -0.234 54.557 54.840 -0.082 0.000 0.814 37 L CB 1.413 43.424 42.059 -0.079 0.000 1.203 37 L HN 0.351 nan 8.230 nan 0.000 0.423 38 V N 3.396 123.314 119.914 0.007 0.000 2.914 38 V HA 0.808 4.923 4.120 -0.007 0.000 0.314 38 V C -0.908 175.284 176.094 0.162 0.000 1.084 38 V CA -0.744 61.588 62.300 0.054 0.000 0.963 38 V CB 1.964 33.796 31.823 0.015 0.000 1.025 38 V HN 0.404 nan 8.190 nan 0.000 0.432 39 V N 2.403 122.412 119.914 0.159 0.000 2.495 39 V HA 0.864 4.980 4.120 -0.007 0.000 0.298 39 V C 0.716 176.922 176.094 0.186 0.000 1.031 39 V CA 0.303 62.651 62.300 0.080 0.000 0.871 39 V CB 1.696 33.459 31.823 -0.100 0.000 0.988 39 V HN 1.334 nan 8.190 nan 0.000 0.432 40 G N 3.516 112.415 108.800 0.165 0.000 2.416 40 G HA2 0.725 4.681 3.960 -0.007 0.000 0.324 40 G HA3 0.725 4.681 3.960 -0.007 0.000 0.324 40 G C -1.184 173.658 174.900 -0.096 0.000 1.194 40 G CA -0.409 44.712 45.100 0.036 0.000 0.922 40 G HN 0.470 nan 8.290 nan 0.000 0.467 41 F N 1.107 120.943 119.950 -0.190 0.000 2.458 41 F HA 0.673 5.196 4.527 -0.007 0.000 0.336 41 F C 0.560 176.273 175.800 -0.146 0.000 1.114 41 F CA -0.989 56.937 58.000 -0.124 0.000 0.987 41 F CB 2.782 41.724 39.000 -0.097 0.000 1.130 41 F HN 0.441 nan 8.300 nan 0.000 0.458 42 S N 2.103 117.866 115.700 0.105 0.000 2.668 42 S HA 0.290 4.755 4.470 -0.007 0.000 0.277 42 S C -0.584 174.042 174.600 0.044 0.000 1.170 42 S CA -0.609 57.614 58.200 0.039 0.000 0.994 42 S CB 0.570 63.768 63.200 -0.002 0.000 1.051 42 S HN 0.802 nan 8.310 nan 0.000 0.484 43 E N 2.803 123.028 120.200 0.042 0.000 2.586 43 E HA -0.245 4.100 4.350 -0.007 0.000 0.259 43 E C 0.858 177.481 176.600 0.039 0.000 1.107 43 E CA 0.676 57.095 56.400 0.031 0.000 0.754 43 E CB -1.914 27.795 29.700 0.014 0.000 1.335 43 E HN 1.570 nan 8.360 nan 0.000 0.411 44 G N -0.192 108.651 108.800 0.072 0.000 2.179 44 G HA2 -0.375 3.581 3.960 -0.007 0.000 0.260 44 G HA3 -0.375 3.581 3.960 -0.007 0.000 0.260 44 G C 0.196 175.121 174.900 0.042 0.000 0.977 44 G CA 0.440 45.583 45.100 0.073 0.000 0.641 44 G HN 0.605 nan 8.290 nan 0.000 0.533 45 S N 0.079 115.792 115.700 0.022 0.000 2.420 45 S HA 0.639 5.105 4.470 -0.007 0.000 0.313 45 S C 0.253 174.805 174.600 -0.081 0.000 1.079 45 S CA -0.343 57.840 58.200 -0.028 0.000 1.104 45 S CB 1.154 64.342 63.200 -0.019 0.000 0.969 45 S HN 0.753 nan 8.310 nan 0.000 0.471 46 V N 6.750 126.564 119.914 -0.167 0.000 2.481 46 V HA 0.564 4.679 4.120 -0.007 0.000 0.286 46 V C 0.136 176.066 176.094 -0.274 0.000 1.042 46 V CA -0.745 61.358 62.300 -0.328 0.000 0.928 46 V CB 1.524 33.083 31.823 -0.440 0.000 0.986 46 V HN 0.852 nan 8.190 nan 0.000 0.462 47 N N 1.682 120.201 118.700 -0.302 0.000 2.455 47 N HA 0.759 5.495 4.740 -0.007 0.000 0.278 47 N C -0.966 174.229 175.510 -0.524 0.000 1.291 47 N CA -0.493 52.314 53.050 -0.406 0.000 0.780 47 N CB 2.638 40.836 38.487 -0.481 0.000 1.520 47 N HN 0.733 nan 8.380 nan 0.000 0.486 48 A N 1.001 123.454 122.820 -0.611 0.000 2.342 48 A HA 0.768 5.084 4.320 -0.007 0.000 0.323 48 A C -1.722 175.536 177.584 -0.543 0.000 1.125 48 A CA -0.398 51.381 52.037 -0.430 0.000 0.785 48 A CB 0.568 19.425 19.000 -0.239 0.000 1.221 48 A HN 0.615 nan 8.150 nan 0.000 0.463 49 Y N 0.692 120.985 120.300 -0.012 0.000 2.524 49 Y HA 0.536 5.082 4.550 -0.007 0.000 0.347 49 Y C -0.230 175.671 175.900 0.001 0.000 1.005 49 Y CA -0.807 57.299 58.100 0.009 0.000 1.025 49 Y CB 1.831 40.320 38.460 0.048 0.000 1.275 49 Y HN 0.546 nan 8.280 nan 0.000 0.460 50 L N 2.976 124.302 121.223 0.172 0.000 2.305 50 L HA 0.323 4.659 4.340 -0.007 0.000 0.281 50 L C -1.047 175.898 176.870 0.125 0.000 1.085 50 L CA -0.605 54.295 54.840 0.099 0.000 0.813 50 L CB 0.637 42.730 42.059 0.057 0.000 1.157 50 L HN 0.615 nan 8.230 nan 0.000 0.436 51 Y N 3.248 123.508 120.300 -0.067 0.000 2.341 51 Y HA 0.532 5.078 4.550 -0.007 0.000 0.338 51 Y C -1.087 174.780 175.900 -0.055 0.000 0.965 51 Y CA -0.684 57.354 58.100 -0.103 0.000 1.108 51 Y CB 1.519 39.851 38.460 -0.214 0.000 1.180 51 Y HN 0.521 nan 8.280 nan 0.000 0.458 52 D N 3.790 123.720 120.400 -0.782 0.000 2.966 52 D HA 0.348 4.984 4.640 -0.007 0.000 0.222 52 D C 0.116 176.091 176.300 -0.541 0.000 1.292 52 D CA 0.440 54.133 54.000 -0.512 0.000 0.907 52 D CB 1.452 42.202 40.800 -0.083 0.000 1.621 52 D HN 1.013 nan 8.370 nan 0.000 0.557 53 G N 2.308 110.887 108.800 -0.368 0.000 2.323 53 G HA2 0.093 4.049 3.960 -0.007 0.000 0.292 53 G HA3 0.093 4.049 3.960 -0.007 0.000 0.292 53 G C 1.126 175.923 174.900 -0.170 0.000 1.040 53 G CA 1.139 46.144 45.100 -0.158 0.000 0.942 53 G HN 1.660 nan 8.290 nan 0.000 0.506 54 G N -1.662 107.006 108.800 -0.221 0.000 2.205 54 G HA2 -0.230 3.725 3.960 -0.007 0.000 0.261 54 G HA3 -0.230 3.725 3.960 -0.007 0.000 0.261 54 G C 0.158 175.074 174.900 0.026 0.000 0.980 54 G CA 1.104 46.246 45.100 0.071 0.000 0.632 54 G HN 1.079 nan 8.290 nan 0.000 0.533 55 E N 0.504 120.628 120.200 -0.126 0.000 2.207 55 E HA 0.635 4.980 4.350 -0.007 0.000 0.270 55 E C 0.189 176.752 176.600 -0.062 0.000 0.927 55 E CA -0.085 56.276 56.400 -0.064 0.000 0.799 55 E CB 1.692 31.356 29.700 -0.061 0.000 1.172 55 E HN 0.361 nan 8.360 nan 0.000 0.404 56 T N -1.831 112.722 114.554 -0.002 0.000 2.924 56 T HA 0.700 5.046 4.350 -0.007 0.000 0.291 56 T C -0.613 174.139 174.700 0.087 0.000 1.045 56 T CA -0.787 61.338 62.100 0.042 0.000 1.015 56 T CB 1.260 70.084 68.868 -0.073 0.000 1.103 56 T HN 0.152 nan 8.240 nan 0.000 0.496 57 V N 1.697 121.707 119.914 0.160 0.000 2.638 57 V HA 0.492 4.607 4.120 -0.007 0.000 0.306 57 V C -0.077 176.154 176.094 0.229 0.000 1.052 57 V CA -1.063 61.330 62.300 0.154 0.000 0.885 57 V CB 1.987 33.857 31.823 0.078 0.000 0.999 57 V HN 0.989 nan 8.190 nan 0.000 0.424 58 K N 3.319 123.839 120.400 0.200 0.000 2.339 58 K HA 0.402 4.718 4.320 -0.007 0.000 0.286 58 K C 0.410 176.975 176.600 -0.058 0.000 1.050 58 K CA -0.281 56.026 56.287 0.033 0.000 0.956 58 K CB 1.040 33.549 32.500 0.015 0.000 0.990 58 K HN 0.620 nan 8.250 nan 0.000 0.475 59 L N 3.094 124.232 121.223 -0.140 0.000 2.202 59 L HA -0.075 4.261 4.340 -0.007 0.000 0.205 59 L C 1.274 178.073 176.870 -0.118 0.000 1.083 59 L CA 0.415 55.195 54.840 -0.101 0.000 0.790 59 L CB -0.218 41.783 42.059 -0.097 0.000 0.942 59 L HN 0.712 nan 8.230 nan 0.000 0.452 60 N N -0.554 118.039 118.700 -0.179 0.000 2.448 60 N HA 0.166 4.902 4.740 -0.007 0.000 0.274 60 N C 0.400 175.816 175.510 -0.157 0.000 1.239 60 N CA -0.497 52.448 53.050 -0.175 0.000 0.982 60 N CB 1.437 39.793 38.487 -0.218 0.000 1.199 60 N HN -0.024 nan 8.380 nan 0.000 0.576 61 R N -0.497 119.905 120.500 -0.162 0.000 1.921 61 R HA 0.183 4.518 4.340 -0.007 0.000 0.190 61 R C 0.130 176.348 176.300 -0.137 0.000 1.595 61 R CA 0.031 56.052 56.100 -0.131 0.000 1.236 61 R CB -0.230 29.994 30.300 -0.128 0.000 1.010 61 R HN 0.612 nan 8.270 nan 0.000 0.482 62 E N 1.538 121.642 120.200 -0.161 0.000 2.371 62 E HA 0.206 4.551 4.350 -0.007 0.000 0.257 62 E C -2.259 174.242 176.600 -0.165 0.000 1.134 62 E CA -1.873 54.440 56.400 -0.145 0.000 0.919 62 E CB 0.030 29.641 29.700 -0.148 0.000 1.025 62 E HN 0.008 nan 8.360 nan 0.000 0.438 63 P HA 0.066 nan 4.420 nan 0.000 0.269 63 P C -0.213 176.993 177.300 -0.156 0.000 1.217 63 P CA 0.336 63.351 63.100 -0.142 0.000 0.783 63 P CB 0.373 32.012 31.700 -0.101 0.000 0.898 64 I N -1.245 119.225 120.570 -0.167 0.000 3.237 64 I HA 0.480 4.646 4.170 -0.007 0.000 0.308 64 I C 0.836 176.878 176.117 -0.124 0.000 1.093 64 I CA -0.828 60.382 61.300 -0.151 0.000 1.001 64 I CB 1.966 39.862 38.000 -0.174 0.000 1.245 64 I HN 0.160 nan 8.210 nan 0.000 0.485 65 N N 0.681 119.327 118.700 -0.090 0.000 2.387 65 N HA 0.026 4.762 4.740 -0.007 0.000 0.176 65 N C -0.048 175.386 175.510 -0.126 0.000 1.022 65 N CA 1.134 54.139 53.050 -0.075 0.000 0.883 65 N CB 0.525 38.996 38.487 -0.027 0.000 1.019 65 N HN 0.891 nan 8.380 nan 0.000 0.435 66 S N -1.050 114.567 115.700 -0.139 0.000 2.656 66 S HA 0.410 4.876 4.470 -0.007 0.000 0.265 66 S C -0.869 173.666 174.600 -0.108 0.000 1.110 66 S CA -0.692 57.431 58.200 -0.129 0.000 0.821 66 S CB 1.209 64.361 63.200 -0.081 0.000 1.099 66 S HN 0.152 nan 8.310 nan 0.000 0.471 67 V N -0.778 119.088 119.914 -0.081 0.000 2.919 67 V HA 0.786 4.901 4.120 -0.007 0.000 0.316 67 V C -0.390 175.693 176.094 -0.018 0.000 1.077 67 V CA -1.225 61.041 62.300 -0.056 0.000 0.977 67 V CB 1.118 32.906 31.823 -0.058 0.000 1.039 67 V HN 0.977 nan 8.190 nan 0.000 0.441 68 L N 1.279 122.499 121.223 -0.006 0.000 2.439 68 L HA 0.468 4.804 4.340 -0.007 0.000 0.261 68 L C -0.167 176.732 176.870 0.049 0.000 1.153 68 L CA -0.557 54.304 54.840 0.035 0.000 0.808 68 L CB 0.539 42.618 42.059 0.033 0.000 1.126 68 L HN 0.637 nan 8.230 nan 0.000 0.460 69 D N 2.868 123.323 120.400 0.090 0.000 2.339 69 D HA 0.189 4.824 4.640 -0.007 0.000 0.256 69 D C -2.197 174.173 176.300 0.118 0.000 1.214 69 D CA -0.958 53.103 54.000 0.103 0.000 0.877 69 D CB 0.744 41.639 40.800 0.158 0.000 1.111 69 D HN 0.219 nan 8.370 nan 0.000 0.478 70 P HA 0.164 nan 4.420 nan 0.000 0.282 70 P C -0.175 177.248 177.300 0.205 0.000 1.249 70 P CA -0.443 62.719 63.100 0.103 0.000 0.806 70 P CB 0.912 32.635 31.700 0.039 0.000 0.984 71 H N 0.669 119.785 119.070 0.077 0.000 2.745 71 H HA 0.107 4.659 4.556 -0.007 0.000 0.373 71 H C -0.032 175.371 175.328 0.125 0.000 1.226 71 H CA 0.367 56.498 56.048 0.137 0.000 1.435 71 H CB -0.375 29.476 29.762 0.148 0.000 1.461 71 H HN 0.329 nan 8.280 nan 0.000 0.616 72 Y N 0.172 120.561 120.300 0.148 0.000 2.721 72 Y HA 0.117 4.663 4.550 -0.007 0.000 0.329 72 Y C 1.704 177.676 175.900 0.121 0.000 1.211 72 Y CA 1.537 59.705 58.100 0.114 0.000 1.512 72 Y CB 0.180 38.691 38.460 0.085 0.000 1.249 72 Y HN 0.897 nan 8.280 nan 0.000 0.549 73 G N 1.535 110.458 108.800 0.206 0.000 2.159 73 G HA2 -0.261 3.695 3.960 -0.007 0.000 0.256 73 G HA3 -0.261 3.695 3.960 -0.007 0.000 0.256 73 G C -0.075 174.898 174.900 0.122 0.000 0.977 73 G CA -0.054 45.145 45.100 0.165 0.000 0.652 73 G HN 1.041 nan 8.290 nan 0.000 0.531 74 V N -1.089 118.893 119.914 0.113 0.000 2.740 74 V HA 0.681 4.797 4.120 -0.007 0.000 0.303 74 V C 1.378 177.507 176.094 0.059 0.000 1.054 74 V CA 0.579 62.931 62.300 0.086 0.000 1.106 74 V CB 1.494 33.364 31.823 0.078 0.000 0.957 74 V HN 1.163 nan 8.190 nan 0.000 0.486 75 G N 4.848 113.678 108.800 0.050 0.000 3.424 75 G HA2 0.430 4.385 3.960 -0.007 0.000 0.263 75 G HA3 0.430 4.385 3.960 -0.007 0.000 0.263 75 G C 0.419 175.336 174.900 0.028 0.000 1.310 75 G CA -0.064 45.060 45.100 0.039 0.000 1.089 75 G HN 1.176 nan 8.290 nan 0.000 0.534 76 R N -2.565 117.950 120.500 0.025 0.000 2.728 76 R HA 0.638 4.974 4.340 -0.007 0.000 0.274 76 R C -2.333 173.973 176.300 0.010 0.000 1.030 76 R CA -0.742 55.367 56.100 0.016 0.000 0.876 76 R CB 1.111 31.420 30.300 0.015 0.000 1.259 76 R HN -0.100 nan 8.270 nan 0.000 0.468 77 V N 1.761 121.676 119.914 0.002 0.000 2.789 77 V HA 0.506 4.622 4.120 -0.007 0.000 0.311 77 V C -0.682 175.409 176.094 -0.005 0.000 1.073 77 V CA -0.977 61.319 62.300 -0.006 0.000 0.921 77 V CB 2.203 34.013 31.823 -0.021 0.000 1.009 77 V HN 0.561 nan 8.190 nan 0.000 0.426 78 I N 5.064 125.628 120.570 -0.010 0.000 2.328 78 I HA 0.418 4.584 4.170 -0.007 0.000 0.287 78 I C -0.175 175.931 176.117 -0.018 0.000 1.012 78 I CA -0.271 61.020 61.300 -0.014 0.000 1.195 78 I CB 1.280 39.260 38.000 -0.034 0.000 1.350 78 I HN 0.386 nan 8.210 nan 0.000 0.464 79 L N 6.407 127.638 121.223 0.014 0.000 2.326 79 L HA 0.493 4.828 4.340 -0.007 0.000 0.278 79 L C -0.085 176.812 176.870 0.044 0.000 1.092 79 L CA -0.825 54.019 54.840 0.007 0.000 0.810 79 L CB 1.419 43.478 42.059 0.000 0.000 1.153 79 L HN 0.210 nan 8.230 nan 0.000 0.439 80 V N 3.640 123.542 119.914 -0.019 0.000 2.398 80 V HA 0.511 4.627 4.120 -0.007 0.000 0.286 80 V C -0.027 176.073 176.094 0.010 0.000 1.026 80 V CA -0.594 61.688 62.300 -0.030 0.000 0.868 80 V CB 1.456 33.184 31.823 -0.160 0.000 0.982 80 V HN 0.729 nan 8.190 nan 0.000 0.443 81 R N 2.507 123.089 120.500 0.138 0.000 2.574 81 R HA 0.360 4.695 4.340 -0.007 0.000 0.288 81 R C -1.187 175.256 176.300 0.239 0.000 1.004 81 R CA -0.769 55.409 56.100 0.130 0.000 0.895 81 R CB 1.571 31.890 30.300 0.033 0.000 1.191 81 R HN 0.721 nan 8.270 nan 0.000 0.444 82 D N 3.296 123.832 120.400 0.227 0.000 2.531 82 D HA -0.057 4.579 4.640 -0.007 0.000 0.239 82 D C 1.110 177.461 176.300 0.084 0.000 1.144 82 D CA 0.259 54.349 54.000 0.149 0.000 0.869 82 D CB 1.401 42.246 40.800 0.075 0.000 1.160 82 D HN 0.254 nan 8.370 nan 0.000 0.484 83 V N 1.501 121.442 119.914 0.045 0.000 3.041 83 V HA -0.085 4.031 4.120 -0.007 0.000 0.260 83 V C 1.115 177.225 176.094 0.026 0.000 1.105 83 V CA 1.310 63.641 62.300 0.052 0.000 1.125 83 V CB -0.196 31.643 31.823 0.025 0.000 0.730 83 V HN 0.656 nan 8.190 nan 0.000 0.479 84 S N -0.924 114.778 115.700 0.004 0.000 2.661 84 S HA 0.668 5.133 4.470 -0.007 0.000 0.285 84 S C -0.175 174.424 174.600 -0.002 0.000 1.138 84 S CA -0.186 58.014 58.200 0.000 0.000 0.855 84 S CB 1.774 64.970 63.200 -0.007 0.000 1.136 84 S HN 0.227 nan 8.310 nan 0.000 0.484 85 K N 0.171 120.570 120.400 -0.003 0.000 2.361 85 K HA 0.484 4.800 4.320 -0.007 0.000 0.283 85 K C 1.439 178.037 176.600 -0.003 0.000 1.078 85 K CA 0.301 56.587 56.287 -0.003 0.000 1.041 85 K CB -1.630 30.868 32.500 -0.003 0.000 0.932 85 K HN 2.322 nan 8.250 nan 0.000 0.462 86 G N 0.648 109.448 108.800 0.001 0.000 2.267 86 G HA2 0.015 3.970 3.960 -0.007 0.000 0.257 86 G HA3 0.015 3.970 3.960 -0.007 0.000 0.257 86 G C 0.901 175.794 174.900 -0.011 0.000 0.998 86 G CA 0.619 45.720 45.100 0.001 0.000 0.620 86 G HN 2.179 nan 8.290 nan 0.000 0.529 87 A N 0.086 122.891 122.820 -0.025 0.000 2.614 87 A HA 0.396 4.712 4.320 -0.007 0.000 0.231 87 A C 0.901 178.426 177.584 -0.098 0.000 1.076 87 A CA 1.250 53.255 52.037 -0.054 0.000 0.767 87 A CB 0.154 19.118 19.000 -0.060 0.000 1.012 87 A HN 0.380 nan 8.150 nan 0.000 0.512 88 E N 0.734 120.863 120.200 -0.117 0.000 2.723 88 E HA 0.150 4.496 4.350 -0.007 0.000 0.219 88 E C -0.625 175.793 176.600 -0.303 0.000 1.060 88 E CA 0.144 56.444 56.400 -0.166 0.000 1.291 88 E CB 0.217 29.889 29.700 -0.047 0.000 1.265 88 E HN 0.652 nan 8.360 nan 0.000 0.438 89 Q N -0.159 119.379 119.800 -0.436 0.000 2.345 89 Q HA 0.412 4.747 4.340 -0.007 0.000 0.275 89 Q C -0.951 174.786 176.000 -0.439 0.000 1.063 89 Q CA -0.618 54.948 55.803 -0.396 0.000 0.819 89 Q CB 2.129 30.785 28.738 -0.137 0.000 1.356 89 Q HN 0.266 nan 8.270 nan 0.000 0.418 90 H N -0.468 118.620 119.070 0.029 0.000 2.797 90 H HA 0.846 5.398 4.556 -0.007 0.000 0.362 90 H C -1.010 174.316 175.328 -0.003 0.000 1.183 90 H CA -0.893 55.172 56.048 0.027 0.000 1.197 90 H CB 1.814 31.591 29.762 0.026 0.000 1.835 90 H HN 0.704 nan 8.280 nan 0.000 0.567 91 A N 1.147 124.068 122.820 0.169 0.000 2.413 91 A HA 0.655 4.970 4.320 -0.007 0.000 0.307 91 A C -1.256 176.301 177.584 -0.046 0.000 1.087 91 A CA -0.755 51.275 52.037 -0.013 0.000 0.750 91 A CB 1.013 19.983 19.000 -0.049 0.000 1.296 91 A HN 0.540 nan 8.150 nan 0.000 0.423 92 L N 0.848 121.900 121.223 -0.286 0.000 2.322 92 L HA 0.673 5.008 4.340 -0.007 0.000 0.279 92 L C -1.294 175.317 176.870 -0.432 0.000 1.036 92 L CA -0.289 54.410 54.840 -0.235 0.000 0.807 92 L CB 1.304 43.173 42.059 -0.315 0.000 1.226 92 L HN 0.668 nan 8.230 nan 0.000 0.433 93 F N 1.227 121.118 119.950 -0.098 0.000 2.576 93 F HA 0.483 5.005 4.527 -0.007 0.000 0.313 93 F C -0.080 175.677 175.800 -0.071 0.000 1.078 93 F CA -0.851 57.104 58.000 -0.074 0.000 0.921 93 F CB 2.024 40.985 39.000 -0.065 0.000 1.232 93 F HN 0.269 nan 8.300 nan 0.000 0.459 94 K N 2.300 122.770 120.400 0.117 0.000 2.244 94 K HA 0.786 5.102 4.320 -0.007 0.000 0.260 94 K C -1.983 174.649 176.600 0.052 0.000 0.951 94 K CA -0.487 55.831 56.287 0.051 0.000 0.826 94 K CB 1.664 34.172 32.500 0.014 0.000 1.108 94 K HN 0.543 nan 8.250 nan 0.000 0.433 95 V N 4.310 124.240 119.914 0.027 0.000 2.487 95 V HA 0.212 4.328 4.120 -0.007 0.000 0.298 95 V C -0.186 175.913 176.094 0.008 0.000 1.028 95 V CA -1.107 61.200 62.300 0.012 0.000 0.860 95 V CB 1.467 33.285 31.823 -0.010 0.000 0.991 95 V HN 0.858 nan 8.190 nan 0.000 0.427 96 N N 2.806 121.513 118.700 0.010 0.000 2.430 96 N HA 0.022 4.757 4.740 -0.007 0.000 0.265 96 N C 1.398 176.914 175.510 0.010 0.000 1.100 96 N CA 0.455 53.512 53.050 0.012 0.000 0.961 96 N CB 1.858 40.353 38.487 0.013 0.000 1.075 96 N HN 0.882 nan 8.380 nan 0.000 0.478 97 T N 0.360 114.922 114.554 0.013 0.000 2.897 97 T HA -0.117 4.229 4.350 -0.007 0.000 0.271 97 T C 1.641 176.351 174.700 0.017 0.000 1.084 97 T CA 1.084 63.192 62.100 0.014 0.000 1.123 97 T CB -0.104 68.775 68.868 0.020 0.000 0.865 97 T HN 0.384 nan 8.240 nan 0.000 0.496 98 S N 1.452 117.163 115.700 0.018 0.000 2.474 98 S HA 0.080 4.545 4.470 -0.007 0.000 0.235 98 S C 0.945 175.553 174.600 0.013 0.000 0.997 98 S CA 0.366 58.576 58.200 0.017 0.000 0.949 98 S CB -0.122 63.088 63.200 0.017 0.000 0.766 98 S HN 0.586 nan 8.310 nan 0.000 0.517 99 R N 1.246 121.752 120.500 0.010 0.000 2.639 99 R HA 0.273 4.609 4.340 -0.007 0.000 0.273 99 R C -3.288 173.013 176.300 0.001 0.000 1.732 99 R CA -1.553 54.551 56.100 0.006 0.000 1.586 99 R CB 0.910 31.215 30.300 0.007 0.000 1.263 99 R HN 0.121 nan 8.270 nan 0.000 0.615 100 P HA 0.064 nan 4.420 nan 0.000 0.271 100 P C 0.907 178.197 177.300 -0.016 0.000 1.216 100 P CA 0.724 63.819 63.100 -0.009 0.000 0.776 100 P CB 0.916 32.616 31.700 0.000 0.000 0.881 101 G N 1.297 110.078 108.800 -0.032 0.000 2.176 101 G HA2 -0.220 3.735 3.960 -0.007 0.000 0.253 101 G HA3 -0.220 3.735 3.960 -0.007 0.000 0.253 101 G C -0.157 174.724 174.900 -0.032 0.000 0.979 101 G CA -0.289 44.787 45.100 -0.039 0.000 0.641 101 G HN 0.587 nan 8.290 nan 0.000 0.530 102 E N 0.967 121.156 120.200 -0.018 0.000 2.113 102 E HA 0.465 4.811 4.350 -0.007 0.000 0.273 102 E C -0.373 176.230 176.600 0.005 0.000 0.924 102 E CA -0.363 56.034 56.400 -0.005 0.000 0.764 102 E CB 1.272 30.974 29.700 0.002 0.000 1.104 102 E HN 0.530 nan 8.360 nan 0.000 0.406 103 E N 2.165 122.376 120.200 0.017 0.000 2.195 103 E HA 0.232 4.578 4.350 -0.007 0.000 0.271 103 E C -0.740 175.929 176.600 0.115 0.000 0.923 103 E CA -0.628 55.810 56.400 0.064 0.000 0.790 103 E CB 2.162 31.877 29.700 0.024 0.000 1.155 103 E HN 0.266 nan 8.360 nan 0.000 0.402 104 Q N 2.726 122.610 119.800 0.141 0.000 2.309 104 Q HA 0.230 4.566 4.340 -0.007 0.000 0.270 104 Q C -1.001 175.041 176.000 0.070 0.000 1.023 104 Q CA -0.615 55.244 55.803 0.093 0.000 0.758 104 Q CB 1.632 30.391 28.738 0.035 0.000 1.247 104 Q HN 0.421 nan 8.270 nan 0.000 0.455 105 R N 3.695 124.195 120.500 -0.000 0.000 2.590 105 R HA 0.172 4.507 4.340 -0.007 0.000 0.274 105 R C -0.551 175.583 176.300 -0.276 0.000 1.061 105 R CA -0.061 55.812 56.100 -0.378 0.000 1.081 105 R CB 0.439 30.482 30.300 -0.428 0.000 0.984 105 R HN 0.585 nan 8.270 nan 0.000 0.448 106 L N 5.577 126.586 121.223 -0.357 0.000 2.356 106 L HA 0.115 4.451 4.340 -0.007 0.000 0.282 106 L C 1.169 177.913 176.870 -0.211 0.000 1.132 106 L CA -0.167 54.539 54.840 -0.224 0.000 0.923 106 L CB 0.911 42.846 42.059 -0.206 0.000 1.278 106 L HN 0.716 nan 8.230 nan 0.000 0.436 107 E N 2.109 122.219 120.200 -0.151 0.000 2.204 107 E HA -0.160 4.186 4.350 -0.007 0.000 0.194 107 E C 2.013 178.559 176.600 -0.091 0.000 0.989 107 E CA 1.050 57.377 56.400 -0.122 0.000 0.824 107 E CB 0.295 29.945 29.700 -0.083 0.000 0.756 107 E HN 0.796 nan 8.360 nan 0.000 0.477 108 A N 1.221 123.998 122.820 -0.072 0.000 2.070 108 A HA -0.064 4.252 4.320 -0.007 0.000 0.220 108 A C 1.386 178.940 177.584 -0.050 0.000 1.159 108 A CA 0.631 52.642 52.037 -0.044 0.000 0.656 108 A CB 0.070 19.059 19.000 -0.018 0.000 0.800 108 A HN 0.029 nan 8.150 nan 0.000 0.453 109 V N 2.308 122.172 119.914 -0.084 0.000 2.311 109 V HA 0.188 4.304 4.120 -0.007 0.000 0.275 109 V C 0.415 176.444 176.094 -0.107 0.000 1.022 109 V CA -0.935 61.310 62.300 -0.092 0.000 0.830 109 V CB 0.814 32.562 31.823 -0.126 0.000 1.012 109 V HN 0.641 nan 8.190 nan 0.000 0.452 110 K N 5.670 126.020 120.400 -0.084 0.000 2.187 110 K HA 0.360 4.675 4.320 -0.007 0.000 0.247 110 K C -2.582 173.983 176.600 -0.058 0.000 1.019 110 K CA -1.314 54.934 56.287 -0.065 0.000 0.893 110 K CB -0.066 32.408 32.500 -0.042 0.000 1.025 110 K HN 0.307 nan 8.250 nan 0.000 0.500 111 P HA 0.050 nan 4.420 nan 0.000 0.271 111 P C -0.762 176.536 177.300 -0.003 0.000 1.220 111 P CA 0.114 63.201 63.100 -0.022 0.000 0.768 111 P CB 0.586 32.274 31.700 -0.021 0.000 0.848 112 M N 0.032 119.647 119.600 0.024 0.000 3.084 112 M HA 0.488 4.964 4.480 -0.007 0.000 0.273 112 M C -1.015 175.358 176.300 0.121 0.000 1.242 112 M CA -1.198 54.140 55.300 0.063 0.000 0.819 112 M CB 2.244 34.895 32.600 0.084 0.000 1.625 112 M HN -0.093 nan 8.290 nan 0.000 0.493 113 R N 1.804 122.402 120.500 0.163 0.000 2.220 113 R HA 0.454 4.789 4.340 -0.007 0.000 0.340 113 R C -1.082 175.442 176.300 0.374 0.000 1.076 113 R CA -0.494 55.771 56.100 0.275 0.000 0.920 113 R CB 0.349 30.777 30.300 0.214 0.000 1.062 113 R HN 0.632 nan 8.270 nan 0.000 0.469 114 I N 7.098 127.961 120.570 0.488 0.000 2.452 114 I HA -0.036 4.130 4.170 -0.007 0.000 0.287 114 I C 1.116 177.340 176.117 0.178 0.000 1.079 114 I CA 0.264 61.704 61.300 0.232 0.000 1.387 114 I CB 1.184 39.191 38.000 0.013 0.000 1.404 114 I HN 0.799 nan 8.210 nan 0.000 0.522 115 L N 4.919 126.277 121.223 0.226 0.000 2.470 115 L HA 0.106 4.441 4.340 -0.007 0.000 0.219 115 L C 0.583 177.650 176.870 0.328 0.000 1.071 115 L CA 0.346 55.325 54.840 0.233 0.000 0.850 115 L CB 0.153 42.249 42.059 0.062 0.000 1.040 115 L HN 0.829 nan 8.230 nan 0.000 0.475 116 S N -1.525 114.351 115.700 0.292 0.000 2.633 116 S HA 0.704 5.170 4.470 -0.007 0.000 0.271 116 S C -0.770 174.010 174.600 0.300 0.000 1.112 116 S CA -0.206 58.188 58.200 0.324 0.000 0.828 116 S CB 1.497 64.964 63.200 0.444 0.000 1.086 116 S HN 0.109 nan 8.310 nan 0.000 0.461 117 G N -0.328 108.627 108.800 0.258 0.000 2.616 117 G HA2 0.602 4.558 3.960 -0.007 0.000 0.294 117 G HA3 0.602 4.558 3.960 -0.007 0.000 0.294 117 G C -2.085 172.934 174.900 0.198 0.000 1.489 117 G CA -0.353 44.900 45.100 0.255 0.000 0.836 117 G HN 1.351 nan 8.290 nan 0.000 0.527 118 V N 0.624 120.654 119.914 0.193 0.000 2.888 118 V HA 0.668 4.783 4.120 -0.007 0.000 0.309 118 V C -1.527 174.621 176.094 0.089 0.000 1.114 118 V CA -0.655 61.736 62.300 0.153 0.000 0.940 118 V CB 2.353 34.283 31.823 0.179 0.000 1.021 118 V HN 0.856 nan 8.190 nan 0.000 0.426 119 D N 1.708 122.130 120.400 0.037 0.000 2.505 119 D HA 0.348 4.983 4.640 -0.007 0.000 0.250 119 D C 0.930 177.126 176.300 -0.172 0.000 1.164 119 D CA 0.130 54.114 54.000 -0.026 0.000 0.870 119 D CB 2.183 42.989 40.800 0.009 0.000 1.160 119 D HN 0.655 nan 8.370 nan 0.000 0.549 120 T N 0.662 115.046 114.554 -0.283 0.000 3.088 120 T HA 0.286 4.631 4.350 -0.007 0.000 0.259 120 T C 1.507 176.126 174.700 -0.136 0.000 1.122 120 T CA 0.792 62.611 62.100 -0.468 0.000 1.095 120 T CB 0.114 68.780 68.868 -0.336 0.000 0.930 120 T HN 0.668 nan 8.240 nan 0.000 0.508 121 G N 1.114 109.881 108.800 -0.055 0.000 2.254 121 G HA2 -0.239 3.717 3.960 -0.007 0.000 0.225 121 G HA3 -0.239 3.717 3.960 -0.007 0.000 0.225 121 G C 0.758 175.662 174.900 0.006 0.000 1.003 121 G CA 0.336 45.437 45.100 0.001 0.000 0.622 121 G HN 0.561 nan 8.290 nan 0.000 0.507 122 E N -0.201 119.997 120.200 -0.003 0.000 2.453 122 E HA 0.575 4.921 4.350 -0.007 0.000 0.211 122 E C 0.658 177.265 176.600 0.012 0.000 0.897 122 E CA 0.600 57.005 56.400 0.009 0.000 1.063 122 E CB 1.192 30.900 29.700 0.015 0.000 1.080 122 E HN 0.881 nan 8.360 nan 0.000 0.512 123 A N 1.082 123.904 122.820 0.003 0.000 2.427 123 A HA 0.502 4.817 4.320 -0.007 0.000 0.298 123 A C -0.918 176.687 177.584 0.036 0.000 1.036 123 A CA -0.556 51.497 52.037 0.027 0.000 0.701 123 A CB 1.514 20.531 19.000 0.029 0.000 1.250 123 A HN -0.018 nan 8.150 nan 0.000 0.412 124 V N 2.911 122.877 119.914 0.086 0.000 2.385 124 V HA 0.358 4.473 4.120 -0.007 0.000 0.269 124 V C -0.133 176.117 176.094 0.260 0.000 1.043 124 V CA -0.309 62.077 62.300 0.143 0.000 0.906 124 V CB 1.088 32.986 31.823 0.126 0.000 0.995 124 V HN 0.610 nan 8.190 nan 0.000 0.467 125 V N 7.387 127.443 119.914 0.237 0.000 2.370 125 V HA 0.655 4.770 4.120 -0.007 0.000 0.283 125 V C -0.328 175.982 176.094 0.360 0.000 1.023 125 V CA -0.404 62.038 62.300 0.236 0.000 0.857 125 V CB 0.974 32.884 31.823 0.145 0.000 0.985 125 V HN 0.802 nan 8.190 nan 0.000 0.443 126 F N 1.761 121.806 119.950 0.159 0.000 2.685 126 F HA 0.909 5.431 4.527 -0.007 0.000 0.315 126 F C -0.164 175.769 175.800 0.222 0.000 1.126 126 F CA -0.853 57.250 58.000 0.172 0.000 0.950 126 F CB 1.859 40.937 39.000 0.130 0.000 1.360 126 F HN 0.421 nan 8.300 nan 0.000 0.469 127 T N -1.192 113.558 114.554 0.326 0.000 2.912 127 T HA 0.895 5.241 4.350 -0.007 0.000 0.288 127 T C -0.449 174.457 174.700 0.342 0.000 1.030 127 T CA -0.539 61.682 62.100 0.202 0.000 1.020 127 T CB 1.508 70.436 68.868 0.099 0.000 1.056 127 T HN 1.429 nan 8.240 nan 0.000 0.480 128 G N -0.343 108.641 108.800 0.306 0.000 2.759 128 G HA2 0.692 4.647 3.960 -0.007 0.000 0.297 128 G HA3 0.692 4.647 3.960 -0.007 0.000 0.297 128 G C -1.423 173.617 174.900 0.234 0.000 1.434 128 G CA -0.666 44.638 45.100 0.339 0.000 0.980 128 G HN 1.058 nan 8.290 nan 0.000 0.531 129 A N 0.941 123.879 122.820 0.196 0.000 2.331 129 A HA 0.940 5.255 4.320 -0.007 0.000 0.320 129 A C 0.403 178.052 177.584 0.108 0.000 1.138 129 A CA 0.065 52.169 52.037 0.112 0.000 0.790 129 A CB 1.414 20.494 19.000 0.133 0.000 1.206 129 A HN 1.719 nan 8.150 nan 0.000 0.470 130 T N -1.550 113.044 114.554 0.066 0.000 2.883 130 T HA 0.698 5.044 4.350 -0.007 0.000 0.284 130 T C 1.295 176.010 174.700 0.026 0.000 1.041 130 T CA 0.572 62.705 62.100 0.055 0.000 1.007 130 T CB 0.746 69.654 68.868 0.067 0.000 1.220 130 T HN 1.059 nan 8.240 nan 0.000 0.552 131 E N 1.031 121.243 120.200 0.020 0.000 2.068 131 E HA -0.260 4.085 4.350 -0.007 0.000 0.207 131 E C 1.453 178.051 176.600 -0.004 0.000 1.032 131 E CA 2.319 58.725 56.400 0.009 0.000 0.839 131 E CB -1.444 28.260 29.700 0.006 0.000 0.758 131 E HN 0.949 nan 8.360 nan 0.000 0.457 132 D N -0.577 119.817 120.400 -0.010 0.000 2.363 132 D HA 0.078 4.714 4.640 -0.007 0.000 0.214 132 D C 0.814 177.083 176.300 -0.051 0.000 1.093 132 D CA 0.490 54.474 54.000 -0.026 0.000 0.837 132 D CB -0.061 40.726 40.800 -0.021 0.000 0.948 132 D HN 0.644 nan 8.370 nan 0.000 0.507 133 R N -1.947 118.517 120.500 -0.060 0.000 2.829 133 R HA 0.445 4.781 4.340 -0.007 0.000 0.284 133 R C -2.238 173.989 176.300 -0.121 0.000 1.006 133 R CA -0.852 55.186 56.100 -0.103 0.000 0.844 133 R CB 0.339 30.581 30.300 -0.096 0.000 1.309 133 R HN -0.155 nan 8.270 nan 0.000 0.494 134 V N 0.218 120.025 119.914 -0.178 0.000 2.540 134 V HA 0.857 4.972 4.120 -0.007 0.000 0.302 134 V C -0.359 175.621 176.094 -0.190 0.000 1.035 134 V CA -0.249 61.950 62.300 -0.169 0.000 0.873 134 V CB 1.293 32.963 31.823 -0.256 0.000 0.992 134 V HN 0.979 nan 8.190 nan 0.000 0.428 135 A N 3.933 126.642 122.820 -0.186 0.000 2.515 135 A HA 0.913 5.228 4.320 -0.007 0.000 0.296 135 A C -1.477 175.830 177.584 -0.463 0.000 1.094 135 A CA -0.664 51.116 52.037 -0.428 0.000 0.718 135 A CB 1.778 20.335 19.000 -0.739 0.000 1.307 135 A HN 0.846 nan 8.150 nan 0.000 0.408 136 L N 1.176 122.086 121.223 -0.522 0.000 2.275 136 L HA 0.699 5.035 4.340 -0.007 0.000 0.288 136 L C -1.470 175.032 176.870 -0.613 0.000 1.046 136 L CA -0.019 54.580 54.840 -0.401 0.000 0.805 136 L CB 0.372 42.286 42.059 -0.242 0.000 1.193 136 L HN 0.616 nan 8.230 nan 0.000 0.426 137 Y N 3.422 123.438 120.300 -0.473 0.000 2.509 137 Y HA 0.789 5.334 4.550 -0.007 0.000 0.341 137 Y C 0.082 175.738 175.900 -0.407 0.000 1.038 137 Y CA -0.685 57.073 58.100 -0.570 0.000 1.089 137 Y CB 2.158 39.911 38.460 -1.178 0.000 1.241 137 Y HN 0.703 nan 8.280 nan 0.000 0.468 138 A N 2.877 125.687 122.820 -0.018 0.000 2.356 138 A HA 0.725 5.041 4.320 -0.007 0.000 0.310 138 A C -2.086 175.573 177.584 0.125 0.000 1.075 138 A CA -0.590 51.482 52.037 0.058 0.000 0.746 138 A CB 1.094 20.116 19.000 0.038 0.000 1.221 138 A HN 0.643 nan 8.150 nan 0.000 0.443 139 L N 3.249 124.585 121.223 0.187 0.000 2.349 139 L HA 0.797 5.132 4.340 -0.007 0.000 0.278 139 L C -0.940 175.990 176.870 0.101 0.000 0.996 139 L CA -0.145 54.795 54.840 0.166 0.000 0.825 139 L CB 1.589 43.786 42.059 0.230 0.000 1.243 139 L HN 0.879 nan 8.230 nan 0.000 0.412 140 D N 2.404 122.843 120.400 0.066 0.000 2.798 140 D HA 0.399 5.035 4.640 -0.007 0.000 0.308 140 D C 0.893 177.212 176.300 0.030 0.000 1.187 140 D CA -0.074 53.952 54.000 0.043 0.000 1.033 140 D CB 0.574 41.396 40.800 0.038 0.000 1.445 140 D HN 0.463 nan 8.370 nan 0.000 0.550 141 G N -0.959 107.855 108.800 0.023 0.000 2.475 141 G HA2 -0.102 3.854 3.960 -0.007 0.000 0.220 141 G HA3 -0.102 3.854 3.960 -0.007 0.000 0.220 141 G C 1.251 176.160 174.900 0.015 0.000 1.125 141 G CA 0.999 46.109 45.100 0.016 0.000 0.755 141 G HN 0.636 nan 8.290 nan 0.000 0.565 142 G N -0.596 108.215 108.800 0.018 0.000 2.572 142 G HA2 0.440 4.396 3.960 -0.007 0.000 0.216 142 G HA3 0.440 4.396 3.960 -0.007 0.000 0.216 142 G C 0.769 175.679 174.900 0.018 0.000 1.133 142 G CA 0.751 45.860 45.100 0.016 0.000 0.791 142 G HN 1.313 nan 8.290 nan 0.000 0.538 143 G N -1.205 107.609 108.800 0.025 0.000 2.346 143 G HA2 0.274 4.230 3.960 -0.007 0.000 0.294 143 G HA3 0.274 4.230 3.960 -0.007 0.000 0.294 143 G C -1.658 173.271 174.900 0.048 0.000 1.294 143 G CA -0.455 44.662 45.100 0.028 0.000 0.962 143 G HN 0.689 nan 8.290 nan 0.000 0.508 144 L N 0.463 121.718 121.223 0.053 0.000 2.312 144 L HA 0.887 5.223 4.340 -0.007 0.000 0.281 144 L C 0.433 177.355 176.870 0.087 0.000 1.070 144 L CA -0.437 54.455 54.840 0.086 0.000 0.805 144 L CB 1.004 43.109 42.059 0.076 0.000 1.174 144 L HN 0.646 nan 8.230 nan 0.000 0.434 145 R N 3.294 123.855 120.500 0.101 0.000 2.628 145 R HA 0.353 4.689 4.340 -0.007 0.000 0.288 145 R C -1.132 175.206 176.300 0.063 0.000 0.980 145 R CA -0.760 55.380 56.100 0.067 0.000 0.891 145 R CB 1.874 32.190 30.300 0.025 0.000 1.188 145 R HN 0.626 nan 8.270 nan 0.000 0.450 146 E N 3.726 123.923 120.200 -0.005 0.000 2.180 146 E HA 0.062 4.408 4.350 -0.007 0.000 0.283 146 E C 0.305 176.780 176.600 -0.208 0.000 1.061 146 E CA -0.113 56.156 56.400 -0.218 0.000 0.861 146 E CB 0.694 30.260 29.700 -0.224 0.000 1.056 146 E HN 0.551 nan 8.360 nan 0.000 0.407 147 L N 3.243 124.313 121.223 -0.255 0.000 2.209 147 L HA 0.269 4.604 4.340 -0.007 0.000 0.207 147 L C 0.707 177.460 176.870 -0.195 0.000 1.094 147 L CA 0.397 55.135 54.840 -0.171 0.000 0.790 147 L CB 0.052 42.033 42.059 -0.129 0.000 0.932 147 L HN 0.521 nan 8.230 nan 0.000 0.447 148 A N -0.254 122.397 122.820 -0.281 0.000 2.577 148 A HA 0.532 4.848 4.320 -0.007 0.000 0.297 148 A C -0.939 176.444 177.584 -0.335 0.000 1.060 148 A CA -0.653 51.219 52.037 -0.274 0.000 0.697 148 A CB 1.039 19.880 19.000 -0.264 0.000 1.281 148 A HN 0.037 nan 8.150 nan 0.000 0.402 149 R N 1.390 121.715 120.500 -0.292 0.000 2.234 149 R HA 0.471 4.807 4.340 -0.007 0.000 0.324 149 R C -0.724 175.366 176.300 -0.350 0.000 1.054 149 R CA -0.207 55.717 56.100 -0.294 0.000 0.912 149 R CB 0.541 30.703 30.300 -0.231 0.000 1.030 149 R HN 0.634 nan 8.270 nan 0.000 0.455 150 L N 5.515 126.516 121.223 -0.369 0.000 2.350 150 L HA 0.296 4.632 4.340 -0.007 0.000 0.275 150 L C -1.476 175.112 176.870 -0.470 0.000 1.099 150 L CA -1.985 52.563 54.840 -0.487 0.000 0.808 150 L CB 1.220 43.094 42.059 -0.308 0.000 1.149 150 L HN 0.393 nan 8.230 nan 0.000 0.442 151 P HA 0.175 nan 4.420 nan 0.000 0.253 151 P C 0.147 177.342 177.300 -0.175 0.000 1.508 151 P CA 0.132 62.974 63.100 -0.431 0.000 0.883 151 P CB 0.323 31.738 31.700 -0.475 0.000 1.519 152 G N -0.871 107.894 108.800 -0.058 0.000 2.320 152 G HA2 0.214 4.170 3.960 -0.007 0.000 0.297 152 G HA3 0.214 4.170 3.960 -0.007 0.000 0.297 152 G C -1.478 173.525 174.900 0.171 0.000 1.344 152 G CA -0.969 44.218 45.100 0.145 0.000 0.851 152 G HN -0.145 nan 8.290 nan 0.000 0.567 153 F N 0.750 120.851 119.950 0.251 0.000 2.607 153 F HA 0.461 4.984 4.527 -0.007 0.000 0.374 153 F C 1.347 177.257 175.800 0.183 0.000 1.104 153 F CA 1.725 59.796 58.000 0.119 0.000 1.296 153 F CB 1.122 40.176 39.000 0.090 0.000 1.085 153 F HN 0.709 nan 8.300 nan 0.000 0.584 154 G N 2.349 111.133 108.800 -0.028 0.000 2.704 154 G HA2 0.697 4.652 3.960 -0.007 0.000 0.293 154 G HA3 0.697 4.652 3.960 -0.007 0.000 0.293 154 G C -2.140 172.563 174.900 -0.329 0.000 1.421 154 G CA -0.735 44.418 45.100 0.088 0.000 0.870 154 G HN 0.318 nan 8.290 nan 0.000 0.492 155 F N 0.135 120.364 119.950 0.464 0.000 2.561 155 F HA 0.465 4.988 4.527 -0.007 0.000 0.313 155 F C 0.146 176.118 175.800 0.287 0.000 1.126 155 F CA -0.984 57.220 58.000 0.340 0.000 0.918 155 F CB 2.432 41.585 39.000 0.254 0.000 1.199 155 F HN 0.297 nan 8.300 nan 0.000 0.444 156 V N 2.534 122.697 119.914 0.416 0.000 2.508 156 V HA 0.139 4.255 4.120 -0.007 0.000 0.281 156 V C 0.440 176.654 176.094 0.200 0.000 1.041 156 V CA 0.402 62.866 62.300 0.274 0.000 1.016 156 V CB 1.108 33.091 31.823 0.268 0.000 0.984 156 V HN 0.997 nan 8.190 nan 0.000 0.478 157 S N 2.454 118.199 115.700 0.076 0.000 2.460 157 S HA 0.130 4.596 4.470 -0.007 0.000 0.226 157 S C 0.275 174.928 174.600 0.089 0.000 1.057 157 S CA 0.270 58.507 58.200 0.063 0.000 0.948 157 S CB 0.147 63.319 63.200 -0.047 0.000 0.822 157 S HN 0.928 nan 8.310 nan 0.000 0.512 158 D N -1.019 119.425 120.400 0.072 0.000 2.648 158 D HA 0.448 5.084 4.640 -0.007 0.000 0.244 158 D C -1.887 174.490 176.300 0.128 0.000 1.244 158 D CA -0.437 53.632 54.000 0.115 0.000 0.772 158 D CB 1.161 41.998 40.800 0.061 0.000 1.379 158 D HN -0.013 nan 8.370 nan 0.000 0.428 159 I N 1.624 122.321 120.570 0.212 0.000 2.533 159 I HA 0.491 4.656 4.170 -0.007 0.000 0.290 159 I C -0.550 175.712 176.117 0.241 0.000 1.056 159 I CA -0.836 60.580 61.300 0.193 0.000 1.057 159 I CB 2.295 40.397 38.000 0.168 0.000 1.240 159 I HN 0.175 nan 8.210 nan 0.000 0.423 160 R N 3.700 124.281 120.500 0.135 0.000 2.538 160 R HA 0.557 4.892 4.340 -0.007 0.000 0.292 160 R C 0.577 176.922 176.300 0.075 0.000 1.008 160 R CA 0.386 56.551 56.100 0.109 0.000 0.896 160 R CB 1.948 32.255 30.300 0.011 0.000 1.187 160 R HN 0.912 nan 8.270 nan 0.000 0.440 161 G N 3.690 112.541 108.800 0.085 0.000 2.692 161 G HA2 -0.451 3.505 3.960 -0.007 0.000 0.339 161 G HA3 -0.451 3.505 3.960 -0.007 0.000 0.339 161 G C 0.500 175.433 174.900 0.054 0.000 1.226 161 G CA 1.116 46.251 45.100 0.058 0.000 0.979 161 G HN 0.693 nan 8.290 nan 0.000 0.549 162 D N -0.436 119.988 120.400 0.040 0.000 2.379 162 D HA 0.313 4.948 4.640 -0.007 0.000 0.208 162 D C 0.689 177.016 176.300 0.045 0.000 1.065 162 D CA -0.144 53.879 54.000 0.038 0.000 0.848 162 D CB 0.101 40.917 40.800 0.028 0.000 0.949 162 D HN 0.324 nan 8.370 nan 0.000 0.509 163 L N 1.413 122.662 121.223 0.045 0.000 2.264 163 L HA 0.479 4.814 4.340 -0.007 0.000 0.289 163 L C -0.855 176.051 176.870 0.059 0.000 1.044 163 L CA -0.369 54.498 54.840 0.046 0.000 0.807 163 L CB 1.016 43.087 42.059 0.021 0.000 1.192 163 L HN -0.106 nan 8.230 nan 0.000 0.425 164 I N 4.987 125.604 120.570 0.080 0.000 2.377 164 I HA 0.679 4.845 4.170 -0.007 0.000 0.293 164 I C -0.045 176.108 176.117 0.059 0.000 0.987 164 I CA -0.382 60.976 61.300 0.096 0.000 1.185 164 I CB 1.729 39.819 38.000 0.151 0.000 1.341 164 I HN 0.778 nan 8.210 nan 0.000 0.455 165 A N 4.257 127.060 122.820 -0.030 0.000 2.374 165 A HA 0.985 5.300 4.320 -0.007 0.000 0.317 165 A C -0.253 177.087 177.584 -0.407 0.000 1.094 165 A CA -0.400 51.513 52.037 -0.206 0.000 0.765 165 A CB 1.661 20.551 19.000 -0.183 0.000 1.268 165 A HN 0.843 nan 8.150 nan 0.000 0.438 166 G N -0.550 107.689 108.800 -0.935 0.000 2.606 166 G HA2 0.586 4.541 3.960 -0.007 0.000 0.300 166 G HA3 0.586 4.541 3.960 -0.007 0.000 0.300 166 G C -1.879 172.488 174.900 -0.890 0.000 1.360 166 G CA -0.643 43.833 45.100 -1.041 0.000 0.783 166 G HN 0.782 nan 8.290 nan 0.000 0.484 167 L N -0.041 121.009 121.223 -0.288 0.000 2.386 167 L HA 0.777 5.113 4.340 -0.007 0.000 0.271 167 L C 0.293 177.270 176.870 0.178 0.000 0.993 167 L CA -0.745 54.068 54.840 -0.046 0.000 0.819 167 L CB 2.519 44.568 42.059 -0.017 0.000 1.294 167 L HN 0.835 nan 8.230 nan 0.000 0.414 168 G N 1.014 109.673 108.800 -0.235 0.000 2.591 168 G HA2 0.619 4.575 3.960 -0.007 0.000 0.306 168 G HA3 0.619 4.575 3.960 -0.007 0.000 0.306 168 G C -1.371 173.114 174.900 -0.692 0.000 1.334 168 G CA -0.354 44.212 45.100 -0.890 0.000 0.981 168 G HN 0.305 nan 8.290 nan 0.000 0.491 169 F N 2.249 122.090 119.950 -0.182 0.000 2.541 169 F HA 0.354 4.877 4.527 -0.008 0.000 0.351 169 F C 0.554 176.515 175.800 0.268 0.000 1.209 169 F CA -0.472 57.590 58.000 0.103 0.000 1.277 169 F CB 0.170 39.336 39.000 0.277 0.000 1.632 169 F HN 0.443 nan 8.300 nan 0.000 0.619 170 F N 0.799 120.904 119.950 0.260 0.000 2.647 170 F HA 0.471 4.994 4.527 -0.007 0.000 0.300 170 F C 1.169 177.050 175.800 0.134 0.000 1.106 170 F CA -0.344 57.757 58.000 0.169 0.000 1.313 170 F CB 0.368 39.440 39.000 0.120 0.000 1.007 170 F HN 0.453 nan 8.300 nan 0.000 0.536 171 G N -0.951 108.039 108.800 0.317 0.000 2.361 171 G HA2 0.279 4.234 3.960 -0.007 0.000 0.331 171 G HA3 0.279 4.234 3.960 -0.007 0.000 0.331 171 G C 0.354 175.357 174.900 0.172 0.000 1.324 171 G CA -0.364 44.864 45.100 0.215 0.000 0.984 171 G HN 0.465 nan 8.290 nan 0.000 0.586 172 G N -1.019 107.861 108.800 0.133 0.000 2.200 172 G HA2 0.234 4.189 3.960 -0.007 0.000 0.268 172 G HA3 0.234 4.189 3.960 -0.007 0.000 0.268 172 G C 2.327 177.287 174.900 0.100 0.000 0.986 172 G CA 1.512 46.674 45.100 0.103 0.000 0.677 172 G HN 2.938 nan 8.290 nan 0.000 0.532 173 G N -1.560 107.322 108.800 0.136 0.000 2.196 173 G HA2 -0.333 3.623 3.960 -0.007 0.000 0.268 173 G HA3 -0.333 3.623 3.960 -0.007 0.000 0.268 173 G C 0.498 175.460 174.900 0.102 0.000 0.975 173 G CA 1.593 46.778 45.100 0.141 0.000 0.648 173 G HN 1.029 nan 8.290 nan 0.000 0.538 174 R N -1.065 119.474 120.500 0.065 0.000 2.643 174 R HA 0.644 4.979 4.340 -0.007 0.000 0.272 174 R C 0.104 176.357 176.300 -0.079 0.000 0.995 174 R CA -0.683 55.413 56.100 -0.005 0.000 1.032 174 R CB 1.723 32.024 30.300 0.002 0.000 1.126 174 R HN 0.077 nan 8.270 nan 0.000 0.505 175 V N 1.650 121.459 119.914 -0.174 0.000 2.432 175 V HA 0.252 4.368 4.120 -0.007 0.000 0.275 175 V C -0.025 176.057 176.094 -0.020 0.000 1.043 175 V CA -0.259 61.864 62.300 -0.296 0.000 0.925 175 V CB 1.438 33.008 31.823 -0.422 0.000 0.985 175 V HN 0.719 nan 8.190 nan 0.000 0.466 176 S N 4.019 119.702 115.700 -0.028 0.000 2.654 176 S HA 0.663 5.129 4.470 -0.007 0.000 0.283 176 S C -0.461 174.175 174.600 0.059 0.000 1.180 176 S CA -0.466 57.831 58.200 0.162 0.000 1.021 176 S CB 1.572 64.876 63.200 0.172 0.000 1.018 176 S HN 0.547 nan 8.310 nan 0.000 0.532 177 L N 3.331 124.525 121.223 -0.047 0.000 2.334 177 L HA 0.661 4.996 4.340 -0.007 0.000 0.277 177 L C -0.851 176.144 176.870 0.208 0.000 1.075 177 L CA -0.157 54.531 54.840 -0.253 0.000 0.804 177 L CB 0.232 41.789 42.059 -0.838 0.000 1.174 177 L HN 0.609 nan 8.230 nan 0.000 0.438 178 F N 1.308 121.350 119.950 0.152 0.000 2.611 178 F HA 0.932 5.455 4.527 -0.007 0.000 0.324 178 F C -0.473 175.479 175.800 0.254 0.000 1.061 178 F CA -0.523 57.645 58.000 0.280 0.000 0.954 178 F CB 1.449 40.636 39.000 0.311 0.000 1.301 178 F HN 0.575 nan 8.300 nan 0.000 0.482 179 T N -0.929 113.979 114.554 0.590 0.000 2.906 179 T HA 0.760 5.105 4.350 -0.007 0.000 0.295 179 T C -0.925 174.008 174.700 0.389 0.000 1.075 179 T CA -0.544 61.794 62.100 0.396 0.000 1.005 179 T CB 1.544 70.585 68.868 0.289 0.000 1.136 179 T HN 1.043 nan 8.240 nan 0.000 0.498 180 S N 0.379 116.246 115.700 0.280 0.000 2.819 180 S HA 0.731 5.197 4.470 -0.007 0.000 0.299 180 S C -1.751 172.915 174.600 0.110 0.000 1.192 180 S CA -0.887 57.412 58.200 0.165 0.000 0.847 180 S CB 1.213 64.504 63.200 0.152 0.000 1.224 180 S HN 0.910 nan 8.310 nan 0.000 0.537 181 N N 0.456 119.197 118.700 0.067 0.000 2.242 181 N HA 0.414 5.149 4.740 -0.007 0.000 0.292 181 N C 0.010 175.542 175.510 0.037 0.000 1.125 181 N CA -0.703 52.378 53.050 0.051 0.000 0.783 181 N CB 1.622 40.131 38.487 0.037 0.000 1.558 181 N HN 0.364 nan 8.380 nan 0.000 0.472 182 L N 1.588 122.835 121.223 0.039 0.000 2.141 182 L HA -0.051 4.285 4.340 -0.007 0.000 0.209 182 L C 1.789 178.670 176.870 0.019 0.000 1.094 182 L CA 1.798 56.657 54.840 0.032 0.000 0.763 182 L CB -0.720 41.361 42.059 0.037 0.000 0.908 182 L HN 0.770 nan 8.230 nan 0.000 0.437 183 S N -1.387 114.323 115.700 0.017 0.000 2.317 183 S HA -0.108 4.357 4.470 -0.007 0.000 0.212 183 S C 1.880 176.481 174.600 0.002 0.000 1.030 183 S CA 0.940 59.146 58.200 0.010 0.000 0.970 183 S CB -1.068 62.139 63.200 0.011 0.000 0.928 183 S HN 0.557 nan 8.310 nan 0.000 0.451 184 S N 0.815 116.516 115.700 0.000 0.000 2.524 184 S HA 0.511 4.976 4.470 -0.007 0.000 0.216 184 S C 1.436 176.023 174.600 -0.021 0.000 0.987 184 S CA 0.359 58.554 58.200 -0.009 0.000 0.909 184 S CB -0.835 62.361 63.200 -0.007 0.000 0.781 184 S HN 1.430 nan 8.310 nan 0.000 0.521 185 G N 1.269 110.058 108.800 -0.018 0.000 2.528 185 G HA2 0.264 4.219 3.960 -0.007 0.000 0.262 185 G HA3 0.264 4.219 3.960 -0.007 0.000 0.262 185 G C 0.515 175.394 174.900 -0.035 0.000 1.200 185 G CA -0.190 44.887 45.100 -0.037 0.000 0.951 185 G HN 2.062 nan 8.290 nan 0.000 0.566 186 G N -2.303 106.458 108.800 -0.066 0.000 2.796 186 G HA2 0.416 4.372 3.960 -0.007 0.000 0.571 186 G HA3 0.416 4.372 3.960 -0.007 0.000 0.571 186 G C -0.761 174.100 174.900 -0.066 0.000 1.370 186 G CA 0.324 45.384 45.100 -0.067 0.000 0.856 186 G HN 2.314 nan 8.290 nan 0.000 0.538 187 L N -0.481 120.699 121.223 -0.072 0.000 2.614 187 L HA 0.800 5.135 4.340 -0.007 0.000 0.264 187 L C -0.268 176.562 176.870 -0.066 0.000 0.940 187 L CA -0.511 54.287 54.840 -0.069 0.000 0.903 187 L CB 1.998 43.947 42.059 -0.184 0.000 1.306 187 L HN 1.050 nan 8.230 nan 0.000 0.410 188 R N 3.387 123.876 120.500 -0.019 0.000 2.589 188 R HA 0.928 5.264 4.340 -0.007 0.000 0.293 188 R C -1.758 174.394 176.300 -0.247 0.000 0.963 188 R CA -0.591 55.395 56.100 -0.189 0.000 0.905 188 R CB 1.914 32.069 30.300 -0.241 0.000 1.144 188 R HN 0.463 nan 8.270 nan 0.000 0.459 189 V N 4.777 124.435 119.914 -0.427 0.000 2.588 189 V HA 0.520 4.635 4.120 -0.007 0.000 0.304 189 V C -1.173 174.640 176.094 -0.468 0.000 1.042 189 V CA -0.707 61.477 62.300 -0.194 0.000 0.877 189 V CB 1.577 33.437 31.823 0.062 0.000 0.996 189 V HN 0.585 nan 8.190 nan 0.000 0.425 190 F N 1.570 121.574 119.950 0.089 0.000 2.467 190 F HA 0.537 5.060 4.527 -0.007 0.000 0.336 190 F C 0.148 176.051 175.800 0.171 0.000 1.123 190 F CA -0.855 57.188 58.000 0.072 0.000 0.964 190 F CB 1.315 40.296 39.000 -0.031 0.000 1.136 190 F HN 0.430 nan 8.300 nan 0.000 0.447 191 D N 0.677 121.280 120.400 0.338 0.000 2.225 191 D HA 0.325 4.961 4.640 -0.007 0.000 0.249 191 D C 0.683 177.197 176.300 0.356 0.000 1.052 191 D CA 0.038 54.221 54.000 0.305 0.000 0.909 191 D CB 1.417 42.325 40.800 0.180 0.000 1.186 191 D HN 0.474 nan 8.370 nan 0.000 0.431 192 S N 1.273 117.135 115.700 0.270 0.000 2.355 192 S HA 0.115 4.580 4.470 -0.007 0.000 0.222 192 S C 1.412 175.993 174.600 -0.032 0.000 1.031 192 S CA 0.594 58.799 58.200 0.010 0.000 0.993 192 S CB -0.610 62.535 63.200 -0.092 0.000 0.859 192 S HN 0.856 nan 8.310 nan 0.000 0.453 193 G N 2.212 111.025 108.800 0.021 0.000 2.536 193 G HA2 -0.419 3.537 3.960 -0.007 0.000 0.277 193 G HA3 -0.419 3.537 3.960 -0.007 0.000 0.277 193 G C 0.858 175.744 174.900 -0.024 0.000 1.155 193 G CA 0.535 45.642 45.100 0.010 0.000 0.960 193 G HN 0.501 nan 8.290 nan 0.000 0.544 194 E N 0.732 120.910 120.200 -0.038 0.000 2.108 194 E HA 0.066 4.411 4.350 -0.007 0.000 0.203 194 E C 1.639 178.193 176.600 -0.076 0.000 1.022 194 E CA 2.099 58.469 56.400 -0.050 0.000 0.823 194 E CB -0.434 29.234 29.700 -0.053 0.000 0.744 194 E HN 1.255 nan 8.360 nan 0.000 0.456 195 G N -0.104 108.619 108.800 -0.128 0.000 3.211 195 G HA2 0.459 4.414 3.960 -0.007 0.000 0.167 195 G HA3 0.459 4.414 3.960 -0.007 0.000 0.167 195 G C -1.162 173.617 174.900 -0.201 0.000 1.212 195 G CA -0.112 44.892 45.100 -0.161 0.000 0.928 195 G HN 0.171 nan 8.290 nan 0.000 0.607 196 S N -1.370 114.175 115.700 -0.257 0.000 2.546 196 S HA 0.630 5.096 4.470 -0.007 0.000 0.272 196 S C -1.604 172.832 174.600 -0.273 0.000 1.140 196 S CA -0.676 57.392 58.200 -0.221 0.000 0.920 196 S CB 0.722 63.844 63.200 -0.131 0.000 1.083 196 S HN 0.294 nan 8.310 nan 0.000 0.476 197 F N 2.714 122.608 119.950 -0.092 0.000 2.399 197 F HA 0.338 4.861 4.527 -0.007 0.000 0.342 197 F C 1.749 177.482 175.800 -0.111 0.000 1.106 197 F CA 0.182 58.127 58.000 -0.090 0.000 1.196 197 F CB 1.760 40.707 39.000 -0.089 0.000 1.163 197 F HN 0.734 nan 8.300 nan 0.000 0.547 198 S N -0.488 115.269 115.700 0.096 0.000 2.604 198 S HA 0.334 4.799 4.470 -0.007 0.000 0.235 198 S C -0.186 174.424 174.600 0.016 0.000 1.043 198 S CA 0.310 58.524 58.200 0.023 0.000 0.997 198 S CB -0.044 63.166 63.200 0.017 0.000 0.956 198 S HN 0.607 nan 8.310 nan 0.000 0.535 199 S N -0.160 115.549 115.700 0.016 0.000 2.586 199 S HA 0.775 5.241 4.470 -0.007 0.000 0.277 199 S C -1.167 173.380 174.600 -0.089 0.000 1.131 199 S CA -0.489 57.683 58.200 -0.047 0.000 0.848 199 S CB 0.939 64.104 63.200 -0.058 0.000 1.091 199 S HN 1.426 nan 8.310 nan 0.000 0.453 200 A N 0.592 123.320 122.820 -0.152 0.000 2.540 200 A HA 0.915 5.230 4.320 -0.007 0.000 0.297 200 A C -0.666 176.815 177.584 -0.171 0.000 1.056 200 A CA -0.371 51.566 52.037 -0.166 0.000 0.700 200 A CB 1.530 20.414 19.000 -0.193 0.000 1.280 200 A HN 1.581 nan 8.150 nan 0.000 0.398 201 S N 0.896 116.519 115.700 -0.129 0.000 2.564 201 S HA 0.759 5.224 4.470 -0.007 0.000 0.274 201 S C -1.077 173.557 174.600 0.057 0.000 1.124 201 S CA -0.498 57.681 58.200 -0.035 0.000 0.869 201 S CB 0.853 64.023 63.200 -0.050 0.000 1.105 201 S HN 0.656 nan 8.310 nan 0.000 0.472 202 I N 3.472 124.051 120.570 0.015 0.000 2.365 202 I HA 0.309 4.474 4.170 -0.007 0.000 0.291 202 I C 0.768 176.684 176.117 -0.335 0.000 1.004 202 I CA -0.327 60.916 61.300 -0.096 0.000 1.311 202 I CB 1.737 39.690 38.000 -0.078 0.000 1.401 202 I HN 0.699 nan 8.210 nan 0.000 0.491 203 S N 5.999 121.398 115.700 -0.501 0.000 2.632 203 S HA 0.353 4.819 4.470 -0.007 0.000 0.267 203 S C -1.919 172.338 174.600 -0.572 0.000 1.276 203 S CA -1.117 56.492 58.200 -0.987 0.000 0.998 203 S CB 1.143 64.011 63.200 -0.555 0.000 0.953 203 S HN 0.372 nan 8.310 nan 0.000 0.547 204 P HA 0.057 nan 4.420 nan 0.000 0.221 204 P C 1.225 178.417 177.300 -0.181 0.000 1.145 204 P CA 1.318 64.257 63.100 -0.268 0.000 0.795 204 P CB -0.364 31.215 31.700 -0.201 0.000 0.775 205 G N -1.465 107.225 108.800 -0.183 0.000 3.026 205 G HA2 0.003 3.959 3.960 -0.007 0.000 0.208 205 G HA3 0.003 3.959 3.960 -0.007 0.000 0.208 205 G C 0.552 175.388 174.900 -0.107 0.000 1.169 205 G CA -0.067 44.962 45.100 -0.118 0.000 0.788 205 G HN 0.004 nan 8.290 nan 0.000 0.533 206 M N -0.576 118.945 119.600 -0.131 0.000 2.751 206 M HA -0.134 4.342 4.480 -0.007 0.000 0.199 206 M C -0.059 176.184 176.300 -0.096 0.000 0.550 206 M CA 0.972 56.212 55.300 -0.100 0.000 0.640 206 M CB -2.272 30.291 32.600 -0.061 0.000 2.351 206 M HN 0.259 nan 8.290 nan 0.000 0.613 207 K N 0.094 120.423 120.400 -0.118 0.000 2.106 207 K HA 0.726 5.042 4.320 -0.007 0.000 0.246 207 K C 0.249 176.773 176.600 -0.127 0.000 0.987 207 K CA -0.727 55.494 56.287 -0.110 0.000 0.904 207 K CB 2.022 34.468 32.500 -0.089 0.000 1.071 207 K HN 0.013 nan 8.250 nan 0.000 0.453 208 V N 2.008 121.829 119.914 -0.155 0.000 2.370 208 V HA 0.138 4.254 4.120 -0.007 0.000 0.279 208 V C -0.059 175.958 176.094 -0.128 0.000 1.029 208 V CA -0.528 61.673 62.300 -0.165 0.000 0.870 208 V CB 1.349 33.011 31.823 -0.268 0.000 0.984 208 V HN 0.709 nan 8.190 nan 0.000 0.451 209 T N 4.894 119.422 114.554 -0.044 0.000 2.806 209 T HA 0.709 5.054 4.350 -0.007 0.000 0.290 209 T C 0.086 174.736 174.700 -0.082 0.000 0.966 209 T CA -0.148 61.934 62.100 -0.029 0.000 1.060 209 T CB 1.372 70.264 68.868 0.040 0.000 0.927 209 T HN 0.935 nan 8.240 nan 0.000 0.485 210 A N 2.100 124.888 122.820 -0.052 0.000 2.475 210 A HA 0.829 5.145 4.320 -0.007 0.000 0.301 210 A C 0.175 177.801 177.584 0.071 0.000 1.059 210 A CA -0.864 51.174 52.037 0.002 0.000 0.710 210 A CB 1.446 20.471 19.000 0.042 0.000 1.288 210 A HN 0.948 nan 8.150 nan 0.000 0.408 211 G N 0.108 108.952 108.800 0.073 0.000 2.355 211 G HA2 0.523 4.478 3.960 -0.007 0.000 0.276 211 G HA3 0.523 4.478 3.960 -0.007 0.000 0.276 211 G C -0.855 174.091 174.900 0.077 0.000 1.198 211 G CA -0.122 45.019 45.100 0.068 0.000 0.876 211 G HN 0.923 nan 8.290 nan 0.000 0.478 212 L N 2.046 123.256 121.223 -0.020 0.000 2.316 212 L HA 0.480 4.815 4.340 -0.007 0.000 0.280 212 L C 0.032 176.817 176.870 -0.142 0.000 1.006 212 L CA -0.581 54.133 54.840 -0.211 0.000 0.836 212 L CB 1.282 43.155 42.059 -0.309 0.000 1.221 212 L HN 0.564 nan 8.230 nan 0.000 0.418 213 E N 2.784 122.894 120.200 -0.150 0.000 2.249 213 E HA 0.524 4.870 4.350 -0.007 0.000 0.280 213 E C -0.222 176.305 176.600 -0.123 0.000 1.016 213 E CA -0.219 56.120 56.400 -0.101 0.000 0.830 213 E CB 1.221 30.878 29.700 -0.072 0.000 1.081 213 E HN 0.754 nan 8.360 nan 0.000 0.395 214 T N -1.622 112.878 114.554 -0.089 0.000 2.676 214 T HA 0.523 4.868 4.350 -0.007 0.000 0.269 214 T C 0.817 175.484 174.700 -0.055 0.000 0.952 214 T CA -0.246 61.804 62.100 -0.083 0.000 1.040 214 T CB 0.984 69.806 68.868 -0.076 0.000 1.352 214 T HN 0.301 nan 8.240 nan 0.000 0.554 215 A N -0.355 122.439 122.820 -0.042 0.000 2.209 215 A HA 0.257 4.573 4.320 -0.007 0.000 0.212 215 A C 1.966 179.544 177.584 -0.010 0.000 1.158 215 A CA 0.619 52.644 52.037 -0.021 0.000 0.742 215 A CB -0.625 18.366 19.000 -0.015 0.000 0.790 215 A HN 0.760 nan 8.150 nan 0.000 0.472 216 R N -1.716 118.769 120.500 -0.026 0.000 4.512 216 R HA 0.277 4.613 4.340 -0.007 0.000 0.113 216 R C -0.357 175.914 176.300 -0.047 0.000 1.445 216 R CA -0.340 55.744 56.100 -0.026 0.000 1.001 216 R CB 0.358 30.642 30.300 -0.027 0.000 1.175 216 R HN 0.319 nan 8.270 nan 0.000 0.408 217 E N 0.447 120.612 120.200 -0.060 0.000 2.222 217 E HA 0.556 4.902 4.350 -0.007 0.000 0.272 217 E C -1.263 175.293 176.600 -0.072 0.000 0.982 217 E CA -0.576 55.776 56.400 -0.080 0.000 0.842 217 E CB 1.984 31.626 29.700 -0.097 0.000 1.144 217 E HN 0.363 nan 8.360 nan 0.000 0.397 218 A N 2.665 125.442 122.820 -0.072 0.000 2.279 218 A HA 0.698 5.013 4.320 -0.007 0.000 0.303 218 A C -0.350 177.221 177.584 -0.021 0.000 1.108 218 A CA -0.401 51.612 52.037 -0.039 0.000 0.830 218 A CB 0.576 19.576 19.000 -0.000 0.000 1.106 218 A HN 0.746 nan 8.150 nan 0.000 0.493 219 R N 0.436 120.947 120.500 0.019 0.000 2.734 219 R HA 0.656 4.991 4.340 -0.007 0.000 0.271 219 R C -1.930 174.429 176.300 0.097 0.000 1.021 219 R CA -0.902 55.247 56.100 0.081 0.000 0.893 219 R CB 0.808 31.128 30.300 0.034 0.000 1.244 219 R HN 0.473 nan 8.270 nan 0.000 0.464 220 L N 2.121 123.422 121.223 0.130 0.000 2.326 220 L HA 0.566 4.902 4.340 -0.007 0.000 0.278 220 L C 0.042 176.933 176.870 0.035 0.000 1.092 220 L CA -0.940 53.926 54.840 0.043 0.000 0.810 220 L CB 1.587 43.618 42.059 -0.047 0.000 1.153 220 L HN 0.577 nan 8.230 nan 0.000 0.439 221 V N -0.469 119.468 119.914 0.038 0.000 2.962 221 V HA 0.628 4.744 4.120 -0.007 0.000 0.313 221 V C -0.277 175.823 176.094 0.010 0.000 1.099 221 V CA -0.468 61.857 62.300 0.042 0.000 0.971 221 V CB 2.035 33.912 31.823 0.091 0.000 1.028 221 V HN 0.650 nan 8.190 nan 0.000 0.430 222 T N 2.831 117.381 114.554 -0.006 0.000 2.756 222 T HA 0.616 4.962 4.350 -0.007 0.000 0.290 222 T C -0.438 174.221 174.700 -0.068 0.000 0.985 222 T CA -0.225 61.853 62.100 -0.037 0.000 0.955 222 T CB 1.142 69.995 68.868 -0.024 0.000 0.930 222 T HN 0.718 nan 8.240 nan 0.000 0.451 223 V N 3.974 123.801 119.914 -0.145 0.000 2.370 223 V HA 0.319 4.434 4.120 -0.007 0.000 0.283 223 V C 0.033 175.993 176.094 -0.222 0.000 1.023 223 V CA -0.896 61.257 62.300 -0.246 0.000 0.857 223 V CB 1.621 33.132 31.823 -0.521 0.000 0.985 223 V HN 0.775 nan 8.190 nan 0.000 0.443 224 D N 7.168 127.488 120.400 -0.135 0.000 2.380 224 D HA 0.308 4.944 4.640 -0.007 0.000 0.230 224 D C -1.701 174.587 176.300 -0.019 0.000 1.154 224 D CA -2.100 51.857 54.000 -0.071 0.000 0.859 224 D CB 2.233 43.021 40.800 -0.020 0.000 1.045 224 D HN 0.196 nan 8.370 nan 0.000 0.495 225 P HA -0.074 nan 4.420 nan 0.000 0.219 225 P C 1.283 178.702 177.300 0.198 0.000 1.146 225 P CA 0.804 64.007 63.100 0.171 0.000 0.808 225 P CB 0.334 32.113 31.700 0.131 0.000 0.779 226 R N 0.104 120.664 120.500 0.100 0.000 2.081 226 R HA -0.135 4.201 4.340 -0.007 0.000 0.235 226 R C 1.171 177.523 176.300 0.086 0.000 1.131 226 R CA 1.872 58.019 56.100 0.078 0.000 0.960 226 R CB -0.617 29.709 30.300 0.043 0.000 0.856 226 R HN 0.381 nan 8.270 nan 0.000 0.436 227 D N -2.590 117.869 120.400 0.097 0.000 2.500 227 D HA 0.098 4.734 4.640 -0.007 0.000 0.217 227 D C 0.926 177.305 176.300 0.131 0.000 1.159 227 D CA 0.491 54.544 54.000 0.087 0.000 0.828 227 D CB 0.531 41.365 40.800 0.056 0.000 1.039 227 D HN 0.203 nan 8.370 nan 0.000 0.512 228 G N 0.850 109.791 108.800 0.235 0.000 2.166 228 G HA2 -0.299 3.656 3.960 -0.007 0.000 0.260 228 G HA3 -0.299 3.656 3.960 -0.007 0.000 0.260 228 G C 0.397 175.430 174.900 0.222 0.000 0.986 228 G CA 0.652 45.969 45.100 0.362 0.000 0.683 228 G HN 0.911 nan 8.290 nan 0.000 0.527 229 S N -1.008 114.761 115.700 0.116 0.000 2.565 229 S HA 0.683 5.149 4.470 -0.007 0.000 0.276 229 S C -0.014 174.609 174.600 0.038 0.000 1.326 229 S CA -0.166 58.077 58.200 0.072 0.000 1.045 229 S CB 2.583 65.810 63.200 0.045 0.000 0.918 229 S HN 1.063 nan 8.310 nan 0.000 0.505 230 V N 3.591 123.534 119.914 0.049 0.000 2.588 230 V HA 0.650 4.766 4.120 -0.007 0.000 0.304 230 V C -0.178 175.936 176.094 0.034 0.000 1.042 230 V CA -0.672 61.653 62.300 0.040 0.000 0.877 230 V CB 1.306 33.184 31.823 0.091 0.000 0.996 230 V HN 1.088 nan 8.190 nan 0.000 0.425 231 E N 1.756 121.969 120.200 0.021 0.000 2.393 231 E HA 0.506 4.851 4.350 -0.007 0.000 0.273 231 E C -1.700 174.911 176.600 0.018 0.000 0.918 231 E CA -1.017 55.395 56.400 0.019 0.000 0.773 231 E CB 2.130 31.837 29.700 0.012 0.000 1.275 231 E HN 0.453 nan 8.360 nan 0.000 0.451 232 D N 1.415 121.826 120.400 0.017 0.000 2.424 232 D HA 0.138 4.774 4.640 -0.007 0.000 0.244 232 D C -0.475 175.834 176.300 0.014 0.000 1.134 232 D CA -0.089 53.922 54.000 0.018 0.000 0.881 232 D CB 0.799 41.609 40.800 0.017 0.000 1.191 232 D HN 0.292 nan 8.370 nan 0.000 0.445 233 L N 2.757 123.987 121.223 0.012 0.000 2.292 233 L HA 0.230 4.566 4.340 -0.007 0.000 0.284 233 L C -0.289 176.585 176.870 0.008 0.000 1.065 233 L CA -0.147 54.694 54.840 0.002 0.000 0.806 233 L CB 0.843 42.892 42.059 -0.017 0.000 1.175 233 L HN 0.142 nan 8.230 nan 0.000 0.431 234 E N 6.112 126.315 120.200 0.006 0.000 2.158 234 E HA 0.385 4.731 4.350 -0.007 0.000 0.271 234 E C -0.932 175.670 176.600 0.002 0.000 0.911 234 E CA -0.462 55.947 56.400 0.014 0.000 0.767 234 E CB 2.015 31.724 29.700 0.015 0.000 1.120 234 E HN 0.605 nan 8.360 nan 0.000 0.405 235 L N 3.589 124.814 121.223 0.004 0.000 2.360 235 L HA 0.278 4.614 4.340 -0.007 0.000 0.271 235 L C -1.290 175.587 176.870 0.010 0.000 1.057 235 L CA -1.892 52.940 54.840 -0.013 0.000 0.803 235 L CB 0.815 42.842 42.059 -0.053 0.000 1.207 235 L HN 0.229 nan 8.230 nan 0.000 0.445 236 P HA -0.090 nan 4.420 nan 0.000 0.217 236 P C 0.366 177.683 177.300 0.028 0.000 1.150 236 P CA 0.804 63.914 63.100 0.016 0.000 0.832 236 P CB 0.252 31.960 31.700 0.013 0.000 0.787 237 S N -0.246 115.477 115.700 0.039 0.000 2.525 237 S HA 0.223 4.689 4.470 -0.007 0.000 0.278 237 S C 0.822 175.470 174.600 0.079 0.000 1.234 237 S CA -0.573 57.663 58.200 0.060 0.000 1.058 237 S CB 0.239 63.486 63.200 0.077 0.000 0.983 237 S HN -0.201 nan 8.310 nan 0.000 0.495 238 K N 3.059 123.505 120.400 0.078 0.000 2.437 238 K HA 0.149 4.465 4.320 -0.007 0.000 0.198 238 K C 0.518 177.180 176.600 0.102 0.000 1.024 238 K CA 0.059 56.393 56.287 0.078 0.000 1.148 238 K CB -0.233 32.297 32.500 0.051 0.000 0.860 238 K HN 0.575 nan 8.250 nan 0.000 0.515 239 D N 0.530 121.025 120.400 0.157 0.000 2.104 239 D HA -0.183 4.452 4.640 -0.007 0.000 0.194 239 D C 1.528 177.953 176.300 0.208 0.000 0.994 239 D CA 0.925 55.068 54.000 0.239 0.000 0.830 239 D CB -0.167 40.843 40.800 0.349 0.000 0.959 239 D HN 0.190 nan 8.370 nan 0.000 0.452 240 F N 1.283 121.128 119.950 -0.175 0.000 2.102 240 F HA -0.211 4.312 4.527 -0.007 0.000 0.298 240 F C 2.549 178.185 175.800 -0.272 0.000 1.105 240 F CA 1.745 59.318 58.000 -0.711 0.000 1.239 240 F CB -0.494 38.023 39.000 -0.805 0.000 0.991 240 F HN -0.128 nan 8.300 nan 0.000 0.474 241 S N -0.880 114.717 115.700 -0.173 0.000 2.382 241 S HA -0.175 4.290 4.470 -0.007 0.000 0.228 241 S C 2.198 176.697 174.600 -0.168 0.000 1.027 241 S CA 1.729 59.806 58.200 -0.206 0.000 0.991 241 S CB -0.629 62.556 63.200 -0.024 0.000 0.823 241 S HN 0.470 nan 8.310 nan 0.000 0.469 242 S N -0.213 115.452 115.700 -0.058 0.000 2.436 242 S HA 0.040 4.506 4.470 -0.007 0.000 0.228 242 S C 1.377 175.996 174.600 0.033 0.000 1.014 242 S CA 0.598 58.797 58.200 -0.002 0.000 0.950 242 S CB -0.493 62.737 63.200 0.050 0.000 0.784 242 S HN 0.731 nan 8.310 nan 0.000 0.504 243 Y N 2.454 122.695 120.300 -0.099 0.000 2.256 243 Y HA -0.104 4.442 4.550 -0.008 0.000 0.288 243 Y C 0.715 176.548 175.900 -0.111 0.000 1.155 243 Y CA 1.229 59.300 58.100 -0.048 0.000 1.203 243 Y CB -0.260 38.207 38.460 0.011 0.000 0.980 243 Y HN 0.088 nan 8.280 nan 0.000 0.530 244 R N -0.539 119.829 120.500 -0.219 0.000 3.267 244 R HA -0.156 4.180 4.340 -0.007 0.000 0.254 244 R C -2.665 173.434 176.300 -0.335 0.000 0.993 244 R CA 0.299 56.234 56.100 -0.275 0.000 0.670 244 R CB -2.044 28.134 30.300 -0.204 0.000 1.125 244 R HN 0.316 nan 8.270 nan 0.000 0.434 245 P HA -0.059 nan 4.420 nan 0.000 0.267 245 P C 0.742 177.963 177.300 -0.131 0.000 1.200 245 P CA 0.507 63.509 63.100 -0.163 0.000 0.772 245 P CB 0.940 32.623 31.700 -0.030 0.000 0.855 246 T N -1.378 113.121 114.554 -0.092 0.000 2.990 246 T HA 0.503 4.849 4.350 -0.007 0.000 0.250 246 T C 0.587 175.263 174.700 -0.041 0.000 1.041 246 T CA 0.092 62.143 62.100 -0.082 0.000 1.010 246 T CB 0.178 68.975 68.868 -0.118 0.000 1.003 246 T HN 0.613 nan 8.240 nan 0.000 0.499 247 A N 0.739 123.563 122.820 0.008 0.000 2.556 247 A HA 0.795 5.110 4.320 -0.007 0.000 0.294 247 A C -1.511 176.138 177.584 0.108 0.000 1.091 247 A CA -0.996 51.062 52.037 0.036 0.000 0.704 247 A CB 1.251 20.264 19.000 0.021 0.000 1.300 247 A HN 0.395 nan 8.150 nan 0.000 0.406 248 I N 1.795 122.428 120.570 0.104 0.000 2.448 248 I HA 0.219 4.384 4.170 -0.007 0.000 0.281 248 I C 0.750 176.946 176.117 0.131 0.000 1.027 248 I CA -0.421 60.967 61.300 0.147 0.000 1.111 248 I CB 1.989 40.067 38.000 0.129 0.000 1.236 248 I HN 0.760 nan 8.210 nan 0.000 0.452 249 T N 4.025 118.688 114.554 0.183 0.000 2.812 249 T HA -0.086 4.260 4.350 -0.007 0.000 0.264 249 T C -0.218 174.645 174.700 0.273 0.000 1.042 249 T CA 1.421 63.638 62.100 0.195 0.000 1.140 249 T CB 0.081 69.076 68.868 0.211 0.000 0.870 249 T HN 0.649 nan 8.240 nan 0.000 0.445 250 W N 0.749 122.078 121.300 0.049 0.000 3.298 250 W HA 0.466 5.121 4.660 -0.007 0.000 0.302 250 W C -2.605 173.921 176.519 0.012 0.000 1.255 250 W CA -1.468 55.895 57.345 0.031 0.000 1.196 250 W CB 0.846 30.329 29.460 0.039 0.000 1.364 250 W HN 0.091 nan 8.180 nan 0.000 0.566 251 L N 2.903 123.438 121.223 -1.147 0.000 2.518 251 L HA 1.124 5.459 4.340 -0.007 0.000 0.257 251 L C -0.549 175.264 176.870 -1.761 0.000 0.980 251 L CA -0.636 53.447 54.840 -1.263 0.000 0.837 251 L CB 1.724 43.421 42.059 -0.602 0.000 1.410 251 L HN 0.855 nan 8.230 nan 0.000 0.410 252 G N -0.146 107.857 108.800 -1.327 0.000 2.667 252 G HA2 0.513 4.468 3.960 -0.007 0.000 0.294 252 G HA3 0.513 4.468 3.960 -0.007 0.000 0.294 252 G C -2.321 172.375 174.900 -0.340 0.000 1.467 252 G CA -0.638 44.046 45.100 -0.693 0.000 0.852 252 G HN 0.550 nan 8.290 nan 0.000 0.521 253 Y N 0.601 120.836 120.300 -0.109 0.000 2.313 253 Y HA 0.527 5.073 4.550 -0.007 0.000 0.332 253 Y C 1.160 177.044 175.900 -0.027 0.000 1.071 253 Y CA -0.387 57.670 58.100 -0.072 0.000 1.169 253 Y CB 1.301 39.705 38.460 -0.094 0.000 1.192 253 Y HN 0.311 nan 8.280 nan 0.000 0.487 254 L N 5.320 126.591 121.223 0.080 0.000 2.468 254 L HA 0.243 4.579 4.340 -0.007 0.000 0.254 254 L C -1.383 175.389 176.870 -0.163 0.000 1.171 254 L CA -1.833 52.978 54.840 -0.047 0.000 0.809 254 L CB 0.397 42.448 42.059 -0.012 0.000 1.155 254 L HN 0.453 nan 8.230 nan 0.000 0.473 255 P HA -0.143 nan 4.420 nan 0.000 0.220 255 P C 0.449 177.662 177.300 -0.146 0.000 1.148 255 P CA 0.989 63.895 63.100 -0.323 0.000 0.803 255 P CB -0.003 31.439 31.700 -0.431 0.000 0.782 256 D N -2.347 117.992 120.400 -0.101 0.000 2.349 256 D HA 0.110 4.746 4.640 -0.007 0.000 0.224 256 D C 1.427 177.716 176.300 -0.018 0.000 1.029 256 D CA 0.692 54.663 54.000 -0.048 0.000 0.879 256 D CB -0.793 39.987 40.800 -0.033 0.000 0.906 256 D HN 0.206 nan 8.370 nan 0.000 0.528 257 G N -0.111 108.691 108.800 0.002 0.000 2.195 257 G HA2 -0.284 3.672 3.960 -0.007 0.000 0.224 257 G HA3 -0.284 3.672 3.960 -0.007 0.000 0.224 257 G C 0.286 175.270 174.900 0.141 0.000 0.990 257 G CA -0.248 44.888 45.100 0.059 0.000 0.639 257 G HN 0.419 nan 8.290 nan 0.000 0.514 258 R N -0.301 120.242 120.500 0.072 0.000 2.539 258 R HA 0.552 4.888 4.340 -0.007 0.000 0.275 258 R C -0.082 176.197 176.300 -0.035 0.000 1.077 258 R CA -0.603 55.518 56.100 0.035 0.000 1.097 258 R CB 0.974 31.276 30.300 0.005 0.000 1.018 258 R HN 0.206 nan 8.270 nan 0.000 0.483 259 L N 2.006 123.121 121.223 -0.180 0.000 2.276 259 L HA 0.399 4.735 4.340 -0.007 0.000 0.286 259 L C -0.681 176.024 176.870 -0.275 0.000 1.061 259 L CA 0.035 54.585 54.840 -0.483 0.000 0.807 259 L CB 1.167 42.861 42.059 -0.609 0.000 1.177 259 L HN 0.734 nan 8.230 nan 0.000 0.429 260 A N 5.298 127.978 122.820 -0.233 0.000 2.292 260 A HA 0.786 5.102 4.320 -0.007 0.000 0.319 260 A C -1.088 176.446 177.584 -0.084 0.000 1.206 260 A CA -0.497 51.526 52.037 -0.023 0.000 0.835 260 A CB 1.085 20.210 19.000 0.209 0.000 1.164 260 A HN 0.552 nan 8.150 nan 0.000 0.505 261 V N 2.772 122.701 119.914 0.026 0.000 2.760 261 V HA 0.459 4.574 4.120 -0.007 0.000 0.309 261 V C -0.667 175.596 176.094 0.282 0.000 1.077 261 V CA -0.537 61.781 62.300 0.030 0.000 0.910 261 V CB 1.984 33.675 31.823 -0.221 0.000 1.008 261 V HN 0.666 nan 8.190 nan 0.000 0.424 262 V N 3.607 123.727 119.914 0.344 0.000 2.409 262 V HA 0.898 5.014 4.120 -0.007 0.000 0.291 262 V C 0.219 176.526 176.094 0.355 0.000 1.020 262 V CA -0.227 62.289 62.300 0.360 0.000 0.848 262 V CB 1.421 33.455 31.823 0.352 0.000 0.990 262 V HN 1.062 nan 8.190 nan 0.000 0.430 263 A N 6.009 129.082 122.820 0.421 0.000 2.469 263 A HA 1.022 5.338 4.320 -0.007 0.000 0.299 263 A C -0.551 177.304 177.584 0.452 0.000 1.098 263 A CA -0.934 51.362 52.037 0.432 0.000 0.737 263 A CB 1.915 21.255 19.000 0.566 0.000 1.312 263 A HN 0.866 nan 8.150 nan 0.000 0.414 264 R N 0.197 120.920 120.500 0.372 0.000 2.837 264 R HA 0.883 5.219 4.340 -0.007 0.000 0.271 264 R C -0.705 175.698 176.300 0.172 0.000 0.993 264 R CA -0.987 55.305 56.100 0.321 0.000 0.931 264 R CB 2.120 32.519 30.300 0.164 0.000 1.206 264 R HN 0.779 nan 8.270 nan 0.000 0.474 265 R N 0.599 121.150 120.500 0.086 0.000 2.594 265 R HA 0.127 4.462 4.340 -0.007 0.000 0.265 265 R C -0.984 175.302 176.300 -0.023 0.000 1.070 265 R CA -0.405 55.634 56.100 -0.102 0.000 0.909 265 R CB 1.531 31.596 30.300 -0.393 0.000 1.243 265 R HN 0.944 nan 8.270 nan 0.000 0.455 266 E N 1.750 121.893 120.200 -0.095 0.000 2.494 266 E HA -0.283 4.063 4.350 -0.007 0.000 0.249 266 E C 0.457 177.182 176.600 0.210 0.000 1.184 266 E CA 1.095 57.545 56.400 0.084 0.000 0.727 266 E CB -1.083 28.783 29.700 0.277 0.000 1.281 266 E HN 1.094 nan 8.360 nan 0.000 0.405 267 G N -0.599 108.267 108.800 0.111 0.000 2.176 267 G HA2 -0.314 3.641 3.960 -0.007 0.000 0.232 267 G HA3 -0.314 3.641 3.960 -0.007 0.000 0.232 267 G C 0.205 175.154 174.900 0.083 0.000 0.986 267 G CA 0.334 45.537 45.100 0.171 0.000 0.643 267 G HN 0.270 nan 8.290 nan 0.000 0.522 268 R N -0.347 120.239 120.500 0.143 0.000 2.836 268 R HA 0.738 5.073 4.340 -0.007 0.000 0.269 268 R C -0.190 176.237 176.300 0.211 0.000 1.010 268 R CA -0.041 56.144 56.100 0.141 0.000 0.930 268 R CB 1.862 32.285 30.300 0.205 0.000 1.218 268 R HN 0.477 nan 8.270 nan 0.000 0.473 269 S N -0.147 115.684 115.700 0.218 0.000 2.638 269 S HA 0.906 5.372 4.470 -0.007 0.000 0.302 269 S C -1.019 173.783 174.600 0.337 0.000 1.096 269 S CA -0.839 57.556 58.200 0.323 0.000 0.953 269 S CB 2.271 65.640 63.200 0.281 0.000 1.107 269 S HN 0.690 nan 8.310 nan 0.000 0.503 270 A N 0.662 123.579 122.820 0.162 0.000 2.454 270 A HA 0.805 5.120 4.320 -0.007 0.000 0.302 270 A C -1.122 176.270 177.584 -0.321 0.000 1.079 270 A CA -0.832 51.056 52.037 -0.248 0.000 0.731 270 A CB 1.595 20.134 19.000 -0.768 0.000 1.299 270 A HN 0.937 nan 8.150 nan 0.000 0.413 271 V N 1.375 120.931 119.914 -0.596 0.000 2.459 271 V HA 0.620 4.736 4.120 -0.007 0.000 0.295 271 V C -1.198 174.504 176.094 -0.654 0.000 1.029 271 V CA -0.127 61.930 62.300 -0.405 0.000 0.874 271 V CB 0.823 32.453 31.823 -0.322 0.000 0.985 271 V HN 0.666 nan 8.190 nan 0.000 0.438 272 F N 4.777 124.702 119.950 -0.041 0.000 2.551 272 F HA 0.668 5.191 4.527 -0.007 0.000 0.316 272 F C -0.300 175.463 175.800 -0.062 0.000 1.089 272 F CA -0.976 56.996 58.000 -0.045 0.000 0.915 272 F CB 1.831 40.818 39.000 -0.023 0.000 1.186 272 F HN 0.128 nan 8.300 nan 0.000 0.456 273 I N 2.543 123.177 120.570 0.106 0.000 2.410 273 I HA 0.246 4.412 4.170 -0.007 0.000 0.286 273 I C -0.361 175.771 176.117 0.026 0.000 1.009 273 I CA -0.897 60.425 61.300 0.036 0.000 1.111 273 I CB 0.929 38.941 38.000 0.018 0.000 1.262 273 I HN 0.603 nan 8.210 nan 0.000 0.443 274 D N 5.484 125.867 120.400 -0.028 0.000 2.751 274 D HA -0.184 4.452 4.640 -0.007 0.000 0.233 274 D C 1.349 177.644 176.300 -0.009 0.000 1.149 274 D CA 1.719 55.696 54.000 -0.038 0.000 0.682 274 D CB -0.809 39.983 40.800 -0.012 0.000 1.068 274 D HN 1.134 nan 8.370 nan 0.000 0.429 275 G N -0.259 108.539 108.800 -0.003 0.000 2.225 275 G HA2 -0.362 3.594 3.960 -0.007 0.000 0.254 275 G HA3 -0.362 3.594 3.960 -0.007 0.000 0.254 275 G C 0.170 175.214 174.900 0.240 0.000 0.988 275 G CA 0.509 45.646 45.100 0.061 0.000 0.625 275 G HN 0.624 nan 8.290 nan 0.000 0.527 276 E N 0.640 120.960 120.200 0.200 0.000 2.283 276 E HA 0.548 4.893 4.350 -0.007 0.000 0.278 276 E C 0.574 177.292 176.600 0.196 0.000 1.027 276 E CA -0.894 55.617 56.400 0.184 0.000 0.843 276 E CB 0.525 30.275 29.700 0.083 0.000 1.062 276 E HN 0.384 nan 8.360 nan 0.000 0.401 277 R N 2.940 123.520 120.500 0.134 0.000 2.490 277 R HA 0.319 4.655 4.340 -0.007 0.000 0.278 277 R C -1.170 175.007 176.300 -0.205 0.000 1.069 277 R CA -0.471 55.492 56.100 -0.228 0.000 1.080 277 R CB 0.977 31.106 30.300 -0.285 0.000 1.030 277 R HN 0.349 nan 8.270 nan 0.000 0.491 278 V N 3.368 123.098 119.914 -0.306 0.000 2.555 278 V HA 0.180 4.295 4.120 -0.007 0.000 0.302 278 V C -0.262 175.696 176.094 -0.226 0.000 1.038 278 V CA -0.820 61.360 62.300 -0.200 0.000 0.887 278 V CB 1.621 33.343 31.823 -0.169 0.000 0.991 278 V HN 0.820 nan 8.190 nan 0.000 0.434 279 E N 2.814 122.923 120.200 -0.152 0.000 2.384 279 E HA 0.517 4.863 4.350 -0.007 0.000 0.266 279 E C -0.258 176.245 176.600 -0.163 0.000 1.012 279 E CA 0.141 56.460 56.400 -0.135 0.000 0.901 279 E CB 0.875 30.527 29.700 -0.081 0.000 0.967 279 E HN 0.933 nan 8.360 nan 0.000 0.435 280 A N 4.862 127.582 122.820 -0.166 0.000 2.549 280 A HA 0.552 4.867 4.320 -0.007 0.000 0.297 280 A C -2.644 174.901 177.584 -0.065 0.000 1.061 280 A CA -1.600 50.318 52.037 -0.198 0.000 0.690 280 A CB 1.100 19.826 19.000 -0.456 0.000 1.287 280 A HN 0.577 nan 8.150 nan 0.000 0.402 281 P HA 0.111 nan 4.420 nan 0.000 0.264 281 P C -0.512 176.832 177.300 0.074 0.000 1.183 281 P CA 0.199 63.209 63.100 -0.149 0.000 0.763 281 P CB 0.291 31.620 31.700 -0.618 0.000 0.807 282 Q N 1.233 121.111 119.800 0.129 0.000 2.330 282 Q HA 0.391 4.726 4.340 -0.007 0.000 0.279 282 Q C 0.959 177.140 176.000 0.302 0.000 1.024 282 Q CA 1.061 56.988 55.803 0.208 0.000 0.900 282 Q CB 0.319 29.159 28.738 0.169 0.000 1.221 282 Q HN 0.829 nan 8.270 nan 0.000 0.396 283 G N 2.624 111.521 108.800 0.163 0.000 2.217 283 G HA2 -0.124 3.831 3.960 -0.007 0.000 0.173 283 G HA3 -0.124 3.831 3.960 -0.007 0.000 0.173 283 G C -1.235 173.541 174.900 -0.208 0.000 1.324 283 G CA -0.837 44.257 45.100 -0.010 0.000 1.225 283 G HN 0.567 nan 8.290 nan 0.000 0.494 284 N N 0.273 118.735 118.700 -0.396 0.000 2.240 284 N HA 0.664 5.400 4.740 -0.007 0.000 0.302 284 N C -1.356 173.800 175.510 -0.590 0.000 1.106 284 N CA -0.375 52.422 53.050 -0.423 0.000 0.778 284 N CB 1.806 40.171 38.487 -0.204 0.000 1.431 284 N HN 0.610 nan 8.380 nan 0.000 0.479 285 H N -1.085 118.020 119.070 0.058 0.000 2.771 285 H HA 0.625 5.176 4.556 -0.007 0.000 0.367 285 H C 0.593 175.918 175.328 -0.005 0.000 1.172 285 H CA -0.786 55.285 56.048 0.037 0.000 1.186 285 H CB 1.639 31.426 29.762 0.043 0.000 1.790 285 H HN 0.602 nan 8.280 nan 0.000 0.556 286 G N -0.383 108.456 108.800 0.065 0.000 2.940 286 G HA2 0.304 4.259 3.960 -0.007 0.000 0.164 286 G HA3 0.304 4.259 3.960 -0.007 0.000 0.164 286 G C -0.509 174.231 174.900 -0.268 0.000 1.326 286 G CA -1.111 43.934 45.100 -0.091 0.000 1.020 286 G HN 0.731 nan 8.290 nan 0.000 0.586 287 R N -1.362 118.770 120.500 -0.613 0.000 2.707 287 R HA 0.486 4.822 4.340 -0.007 0.000 0.270 287 R C -1.080 174.797 176.300 -0.705 0.000 1.083 287 R CA -0.420 54.906 56.100 -1.290 0.000 1.182 287 R CB 0.772 30.030 30.300 -1.736 0.000 1.084 287 R HN 0.146 nan 8.270 nan 0.000 0.528 288 V N 2.296 121.801 119.914 -0.681 0.000 2.459 288 V HA 0.430 4.545 4.120 -0.007 0.000 0.295 288 V C -0.036 176.040 176.094 -0.030 0.000 1.029 288 V CA -0.682 61.519 62.300 -0.166 0.000 0.874 288 V CB 1.453 33.310 31.823 0.058 0.000 0.985 288 V HN 0.718 nan 8.190 nan 0.000 0.438 289 V N 3.508 123.445 119.914 0.037 0.000 2.914 289 V HA 0.769 4.884 4.120 -0.007 0.000 0.314 289 V C -1.012 175.235 176.094 0.255 0.000 1.084 289 V CA -1.072 61.346 62.300 0.197 0.000 0.963 289 V CB 2.003 33.872 31.823 0.076 0.000 1.025 289 V HN 0.663 nan 8.190 nan 0.000 0.432 290 L N 4.122 125.564 121.223 0.364 0.000 2.275 290 L HA 0.735 5.070 4.340 -0.007 0.000 0.288 290 L C -1.196 175.931 176.870 0.429 0.000 1.046 290 L CA -0.056 54.958 54.840 0.290 0.000 0.805 290 L CB 1.144 43.303 42.059 0.166 0.000 1.193 290 L HN 0.966 nan 8.230 nan 0.000 0.426 291 W N 6.895 128.268 121.300 0.121 0.000 2.802 291 W HA 0.474 5.129 4.660 -0.008 0.000 0.331 291 W C 0.065 176.627 176.519 0.071 0.000 1.021 291 W CA -0.908 56.504 57.345 0.111 0.000 1.259 291 W CB 0.640 30.155 29.460 0.092 0.000 1.323 291 W HN 0.668 nan 8.180 nan 0.000 0.432 292 R N 4.212 124.584 120.500 -0.214 0.000 3.525 292 R HA -0.181 4.155 4.340 -0.007 0.000 0.276 292 R C 1.147 177.351 176.300 -0.161 0.000 1.116 292 R CA 1.413 57.322 56.100 -0.318 0.000 0.745 292 R CB -1.553 28.340 30.300 -0.679 0.000 1.185 292 R HN 1.456 nan 8.270 nan 0.000 0.454 293 G N -0.720 108.051 108.800 -0.049 0.000 2.179 293 G HA2 -0.352 3.604 3.960 -0.007 0.000 0.260 293 G HA3 -0.352 3.604 3.960 -0.007 0.000 0.260 293 G C 0.031 174.932 174.900 0.001 0.000 0.977 293 G CA 0.914 46.002 45.100 -0.021 0.000 0.641 293 G HN 0.381 nan 8.290 nan 0.000 0.533 294 K N -0.636 119.781 120.400 0.028 0.000 2.395 294 K HA 0.739 5.055 4.320 -0.007 0.000 0.247 294 K C -0.075 176.589 176.600 0.107 0.000 0.973 294 K CA -1.012 55.303 56.287 0.048 0.000 0.828 294 K CB 1.929 34.449 32.500 0.033 0.000 1.272 294 K HN 0.093 nan 8.250 nan 0.000 0.439 295 L N 1.382 122.651 121.223 0.076 0.000 2.357 295 L HA 0.533 4.869 4.340 -0.007 0.000 0.273 295 L C -0.524 176.396 176.870 0.082 0.000 1.080 295 L CA -0.924 53.963 54.840 0.078 0.000 0.803 295 L CB 1.309 43.384 42.059 0.026 0.000 1.174 295 L HN 0.221 nan 8.230 nan 0.000 0.443 296 V N 1.031 120.990 119.914 0.075 0.000 2.888 296 V HA 0.653 4.768 4.120 -0.007 0.000 0.309 296 V C -0.291 175.784 176.094 -0.032 0.000 1.114 296 V CA -0.411 61.910 62.300 0.035 0.000 0.940 296 V CB 2.234 34.097 31.823 0.067 0.000 1.021 296 V HN 0.876 nan 8.190 nan 0.000 0.426 297 T N 1.474 115.996 114.554 -0.054 0.000 2.681 297 T HA 0.653 4.999 4.350 -0.007 0.000 0.296 297 T C -0.628 174.050 174.700 -0.036 0.000 1.157 297 T CA 0.183 62.241 62.100 -0.070 0.000 1.025 297 T CB 2.022 70.859 68.868 -0.051 0.000 1.441 297 T HN 1.066 nan 8.240 nan 0.000 0.504 298 S N 0.797 116.491 115.700 -0.010 0.000 2.651 298 S HA 0.635 5.100 4.470 -0.007 0.000 0.291 298 S C -0.889 173.802 174.600 0.152 0.000 1.141 298 S CA -0.615 57.603 58.200 0.030 0.000 1.027 298 S CB 1.174 64.362 63.200 -0.020 0.000 1.043 298 S HN 0.873 nan 8.310 nan 0.000 0.530 299 H N 0.075 119.146 119.070 0.002 0.000 2.865 299 H HA 0.541 5.093 4.556 -0.008 0.000 0.362 299 H C -1.572 173.712 175.328 -0.074 0.000 1.114 299 H CA -0.292 55.747 56.048 -0.014 0.000 1.208 299 H CB 2.187 31.982 29.762 0.056 0.000 1.727 299 H HN 0.783 nan 8.280 nan 0.000 0.534 300 T N 2.270 116.416 114.554 -0.680 0.000 2.906 300 T HA 0.572 4.918 4.350 -0.007 0.000 0.295 300 T C -1.221 173.098 174.700 -0.635 0.000 1.075 300 T CA -0.215 61.541 62.100 -0.572 0.000 1.005 300 T CB 1.326 70.045 68.868 -0.249 0.000 1.136 300 T HN 0.802 nan 8.240 nan 0.000 0.498 301 S N 2.073 117.588 115.700 -0.308 0.000 2.615 301 S HA 0.445 4.911 4.470 -0.007 0.000 0.269 301 S C 0.771 175.401 174.600 0.051 0.000 1.161 301 S CA -0.881 57.241 58.200 -0.130 0.000 0.817 301 S CB 0.589 63.758 63.200 -0.053 0.000 1.131 301 S HN 0.591 nan 8.310 nan 0.000 0.467 302 L N 1.527 122.759 121.223 0.015 0.000 2.261 302 L HA -0.050 4.285 4.340 -0.007 0.000 0.216 302 L C 2.350 179.318 176.870 0.163 0.000 1.114 302 L CA 1.686 56.549 54.840 0.038 0.000 0.777 302 L CB -0.404 41.653 42.059 -0.004 0.000 0.910 302 L HN 0.919 nan 8.230 nan 0.000 0.440 303 S N -4.024 111.799 115.700 0.206 0.000 2.539 303 S HA 0.134 4.599 4.470 -0.007 0.000 0.221 303 S C 0.621 175.402 174.600 0.301 0.000 0.987 303 S CA -0.430 57.938 58.200 0.280 0.000 0.929 303 S CB 0.347 63.660 63.200 0.189 0.000 0.832 303 S HN 0.129 nan 8.310 nan 0.000 0.492 304 T N 4.562 119.249 114.554 0.221 0.000 2.847 304 T HA 0.503 4.848 4.350 -0.007 0.000 0.291 304 T C -3.059 171.468 174.700 -0.289 0.000 0.998 304 T CA -1.455 60.625 62.100 -0.033 0.000 0.967 304 T CB 1.790 70.648 68.868 -0.017 0.000 0.954 304 T HN -0.006 nan 8.240 nan 0.000 0.441 305 P HA 0.150 nan 4.420 nan 0.000 0.266 305 P C -2.556 174.440 177.300 -0.507 0.000 1.193 305 P CA -1.139 61.271 63.100 -1.149 0.000 0.770 305 P CB -0.389 30.572 31.700 -1.233 0.000 0.836 306 P HA -0.043 nan 4.420 nan 0.000 0.261 306 P C -0.176 177.063 177.300 -0.102 0.000 1.165 306 P CA 0.966 63.934 63.100 -0.220 0.000 0.759 306 P CB 0.164 31.727 31.700 -0.228 0.000 0.772 307 R N 2.375 122.860 120.500 -0.025 0.000 2.734 307 R HA 0.607 4.942 4.340 -0.007 0.000 0.271 307 R C -1.308 174.989 176.300 -0.004 0.000 1.021 307 R CA -1.000 55.122 56.100 0.037 0.000 0.893 307 R CB 1.008 31.313 30.300 0.009 0.000 1.244 307 R HN 0.059 nan 8.270 nan 0.000 0.464 308 I N 2.794 123.296 120.570 -0.114 0.000 2.331 308 I HA 0.358 4.524 4.170 -0.007 0.000 0.292 308 I C 0.451 176.488 176.117 -0.134 0.000 0.998 308 I CA -0.714 60.487 61.300 -0.166 0.000 1.267 308 I CB 1.107 38.899 38.000 -0.347 0.000 1.386 308 I HN 0.606 nan 8.210 nan 0.000 0.476 309 V N 2.738 122.610 119.914 -0.069 0.000 3.001 309 V HA 0.683 4.799 4.120 -0.007 0.000 0.314 309 V C -0.121 175.954 176.094 -0.032 0.000 1.099 309 V CA -0.762 61.509 62.300 -0.049 0.000 0.989 309 V CB 1.905 33.705 31.823 -0.038 0.000 1.040 309 V HN 0.723 nan 8.190 nan 0.000 0.434 310 S N 2.291 117.984 115.700 -0.012 0.000 2.525 310 S HA 0.722 5.187 4.470 -0.007 0.000 0.278 310 S C -0.533 174.054 174.600 -0.021 0.000 1.234 310 S CA -0.589 57.620 58.200 0.015 0.000 1.058 310 S CB 0.077 63.302 63.200 0.041 0.000 0.983 310 S HN 0.688 nan 8.310 nan 0.000 0.495 311 L N 6.325 127.534 121.223 -0.024 0.000 2.331 311 L HA 0.503 4.839 4.340 -0.007 0.000 0.275 311 L C -1.352 175.496 176.870 -0.036 0.000 1.022 311 L CA -1.923 52.883 54.840 -0.056 0.000 0.812 311 L CB 1.786 43.792 42.059 -0.088 0.000 1.257 311 L HN 0.571 nan 8.230 nan 0.000 0.435 312 P HA 0.008 nan 4.420 nan 0.000 0.255 312 P C 1.029 178.295 177.300 -0.056 0.000 1.248 312 P CA 0.234 63.296 63.100 -0.064 0.000 0.807 312 P CB 0.471 32.137 31.700 -0.056 0.000 1.150 313 S N -0.280 115.395 115.700 -0.041 0.000 2.402 313 S HA 0.068 4.533 4.470 -0.007 0.000 0.229 313 S C 1.938 176.510 174.600 -0.048 0.000 1.021 313 S CA 1.174 59.353 58.200 -0.035 0.000 0.974 313 S CB -1.599 61.588 63.200 -0.021 0.000 0.800 313 S HN 0.289 nan 8.310 nan 0.000 0.484 314 G N 0.668 109.430 108.800 -0.064 0.000 2.179 314 G HA2 -0.310 3.646 3.960 -0.007 0.000 0.260 314 G HA3 -0.310 3.646 3.960 -0.007 0.000 0.260 314 G C -0.083 174.780 174.900 -0.062 0.000 0.977 314 G CA 0.347 45.394 45.100 -0.089 0.000 0.641 314 G HN 0.763 nan 8.290 nan 0.000 0.533 315 E N 2.196 122.376 120.200 -0.035 0.000 2.465 315 E HA 0.362 4.708 4.350 -0.007 0.000 0.260 315 E C -1.748 174.838 176.600 -0.024 0.000 0.980 315 E CA -1.318 55.070 56.400 -0.019 0.000 0.927 315 E CB 0.554 30.252 29.700 -0.003 0.000 0.934 315 E HN 0.291 nan 8.360 nan 0.000 0.459 316 P HA 0.035 nan 4.420 nan 0.000 0.281 316 P C 0.047 177.312 177.300 -0.059 0.000 1.252 316 P CA 0.168 63.240 63.100 -0.047 0.000 0.778 316 P CB 0.899 32.575 31.700 -0.040 0.000 0.895 317 L N 2.213 123.364 121.223 -0.119 0.000 2.200 317 L HA 0.220 4.556 4.340 -0.007 0.000 0.200 317 L C 1.068 177.748 176.870 -0.318 0.000 1.072 317 L CA 0.824 55.570 54.840 -0.156 0.000 0.787 317 L CB -0.079 41.831 42.059 -0.248 0.000 0.957 317 L HN 0.285 nan 8.230 nan 0.000 0.459 318 L N 0.402 121.344 121.223 -0.468 0.000 2.406 318 L HA 0.433 4.769 4.340 -0.007 0.000 0.272 318 L C -1.013 175.596 176.870 -0.435 0.000 0.980 318 L CA -0.245 54.225 54.840 -0.618 0.000 0.831 318 L CB 2.472 43.867 42.059 -1.108 0.000 1.253 318 L HN 0.049 nan 8.230 nan 0.000 0.406 319 E N 2.387 122.449 120.200 -0.230 0.000 2.321 319 E HA 0.481 4.827 4.350 -0.007 0.000 0.281 319 E C -0.772 175.892 176.600 0.106 0.000 0.910 319 E CA -0.652 55.742 56.400 -0.010 0.000 0.770 319 E CB 2.023 31.696 29.700 -0.044 0.000 1.225 319 E HN 0.632 nan 8.360 nan 0.000 0.417 320 G N 1.732 110.620 108.800 0.146 0.000 2.432 320 G HA2 0.466 4.422 3.960 -0.007 0.000 0.257 320 G HA3 0.466 4.422 3.960 -0.007 0.000 0.257 320 G C 0.114 175.003 174.900 -0.018 0.000 1.238 320 G CA -0.103 45.031 45.100 0.055 0.000 0.838 320 G HN 0.442 nan 8.290 nan 0.000 0.547 321 G N 0.660 109.454 108.800 -0.010 0.000 2.333 321 G HA2 0.495 4.450 3.960 -0.007 0.000 0.290 321 G HA3 0.495 4.450 3.960 -0.007 0.000 0.290 321 G C -0.102 174.785 174.900 -0.020 0.000 1.150 321 G CA -0.522 44.569 45.100 -0.014 0.000 0.895 321 G HN 0.561 nan 8.290 nan 0.000 0.444 322 L N 3.279 124.491 121.223 -0.019 0.000 2.343 322 L HA 0.380 4.716 4.340 -0.007 0.000 0.275 322 L C -1.752 175.126 176.870 0.014 0.000 1.056 322 L CA -1.919 52.921 54.840 0.001 0.000 0.804 322 L CB 1.852 43.918 42.059 0.012 0.000 1.203 322 L HN 0.331 nan 8.230 nan 0.000 0.440 323 P HA -0.009 nan 4.420 nan 0.000 0.267 323 P C 0.448 177.764 177.300 0.027 0.000 1.200 323 P CA -0.141 62.972 63.100 0.022 0.000 0.772 323 P CB 0.626 32.341 31.700 0.024 0.000 0.855 324 E N 1.205 121.419 120.200 0.023 0.000 2.097 324 E HA -0.330 4.015 4.350 -0.007 0.000 0.196 324 E C 1.313 177.931 176.600 0.030 0.000 1.000 324 E CA 1.773 58.188 56.400 0.025 0.000 0.804 324 E CB -0.080 29.632 29.700 0.020 0.000 0.740 324 E HN 0.518 nan 8.360 nan 0.000 0.454 325 D N 0.013 120.430 120.400 0.028 0.000 2.084 325 D HA -0.181 4.455 4.640 -0.007 0.000 0.196 325 D C 2.056 178.379 176.300 0.038 0.000 0.985 325 D CA 0.982 55.000 54.000 0.029 0.000 0.826 325 D CB -0.291 40.523 40.800 0.023 0.000 0.978 325 D HN 0.258 nan 8.370 nan 0.000 0.456 326 L N 0.338 121.587 121.223 0.044 0.000 2.083 326 L HA -0.016 4.319 4.340 -0.007 0.000 0.209 326 L C 2.354 179.269 176.870 0.075 0.000 1.083 326 L CA 1.459 56.335 54.840 0.059 0.000 0.752 326 L CB -0.773 41.324 42.059 0.063 0.000 0.899 326 L HN -0.069 nan 8.230 nan 0.000 0.433 327 R N 0.107 120.646 120.500 0.065 0.000 2.083 327 R HA -0.140 4.196 4.340 -0.007 0.000 0.237 327 R C 2.374 178.718 176.300 0.074 0.000 1.137 327 R CA 1.822 57.964 56.100 0.070 0.000 0.951 327 R CB -0.416 29.913 30.300 0.048 0.000 0.851 327 R HN 0.355 nan 8.270 nan 0.000 0.434 328 R N -0.146 120.389 120.500 0.059 0.000 2.189 328 R HA -0.034 4.302 4.340 -0.007 0.000 0.223 328 R C 2.133 178.473 176.300 0.066 0.000 1.092 328 R CA 1.320 57.455 56.100 0.058 0.000 0.989 328 R CB -0.174 30.153 30.300 0.044 0.000 0.876 328 R HN 0.437 nan 8.270 nan 0.000 0.457 329 S N 0.276 116.015 115.700 0.066 0.000 2.481 329 S HA -0.005 4.460 4.470 -0.007 0.000 0.231 329 S C 0.936 175.589 174.600 0.089 0.000 0.996 329 S CA 0.445 58.684 58.200 0.065 0.000 0.942 329 S CB -0.006 63.225 63.200 0.052 0.000 0.768 329 S HN 0.118 nan 8.310 nan 0.000 0.520 330 I N 2.324 122.960 120.570 0.110 0.000 2.361 330 I HA 0.494 4.660 4.170 -0.007 0.000 0.282 330 I C 0.690 176.888 176.117 0.135 0.000 1.075 330 I CA -0.501 60.879 61.300 0.133 0.000 1.205 330 I CB 0.831 38.937 38.000 0.177 0.000 1.406 330 I HN 0.275 nan 8.210 nan 0.000 0.481 331 A N 4.593 127.494 122.820 0.134 0.000 2.599 331 A HA 0.784 5.099 4.320 -0.007 0.000 0.257 331 A C 0.865 178.527 177.584 0.130 0.000 1.641 331 A CA -0.030 52.082 52.037 0.125 0.000 0.842 331 A CB -0.394 18.683 19.000 0.128 0.000 1.599 331 A HN 0.578 nan 8.150 nan 0.000 0.585 332 G N -0.977 107.895 108.800 0.121 0.000 2.651 332 G HA2 0.458 4.413 3.960 -0.007 0.000 0.260 332 G HA3 0.458 4.413 3.960 -0.007 0.000 0.260 332 G C 0.169 175.151 174.900 0.137 0.000 1.216 332 G CA 0.528 45.702 45.100 0.124 0.000 0.913 332 G HN 1.501 nan 8.290 nan 0.000 0.535 333 S N -1.031 114.758 115.700 0.148 0.000 2.568 333 S HA 0.866 5.332 4.470 -0.007 0.000 0.302 333 S C -0.277 174.440 174.600 0.195 0.000 1.082 333 S CA -0.867 57.440 58.200 0.178 0.000 1.009 333 S CB 2.316 65.620 63.200 0.173 0.000 1.069 333 S HN 1.136 nan 8.310 nan 0.000 0.500 334 R N 0.224 120.849 120.500 0.208 0.000 2.752 334 R HA 0.723 5.059 4.340 -0.007 0.000 0.271 334 R C -2.154 174.104 176.300 -0.070 0.000 1.026 334 R CA -1.122 55.053 56.100 0.125 0.000 0.901 334 R CB 0.767 31.118 30.300 0.084 0.000 1.243 334 R HN 0.558 nan 8.270 nan 0.000 0.463 335 L N 1.783 122.846 121.223 -0.267 0.000 2.322 335 L HA 0.654 4.989 4.340 -0.007 0.000 0.281 335 L C -0.821 175.773 176.870 -0.461 0.000 1.014 335 L CA -0.550 53.882 54.840 -0.681 0.000 0.815 335 L CB 1.860 43.518 42.059 -0.668 0.000 1.247 335 L HN 0.640 nan 8.230 nan 0.000 0.421 336 V N 1.271 120.811 119.914 -0.625 0.000 3.040 336 V HA 0.701 4.816 4.120 -0.007 0.000 0.312 336 V C -1.698 173.993 176.094 -0.672 0.000 1.115 336 V CA -0.810 61.186 62.300 -0.507 0.000 0.998 336 V CB 1.906 33.331 31.823 -0.663 0.000 1.042 336 V HN 0.812 nan 8.190 nan 0.000 0.433 337 W N 1.759 122.829 121.300 -0.382 0.000 2.336 337 W HA 0.732 5.388 4.660 -0.008 0.000 0.315 337 W C -0.444 175.886 176.519 -0.314 0.000 1.016 337 W CA -0.615 56.533 57.345 -0.329 0.000 1.318 337 W CB 1.777 31.090 29.460 -0.245 0.000 1.247 337 W HN 0.547 nan 8.180 nan 0.000 0.414 338 V N 2.700 122.509 119.914 -0.175 0.000 2.607 338 V HA 0.130 4.245 4.120 -0.007 0.000 0.289 338 V C 0.393 176.504 176.094 0.028 0.000 1.053 338 V CA -0.861 61.364 62.300 -0.125 0.000 0.996 338 V CB 1.429 33.161 31.823 -0.151 0.000 0.995 338 V HN 0.414 nan 8.190 nan 0.000 0.476 339 E N 2.445 122.689 120.200 0.073 0.000 2.180 339 E HA 0.264 4.609 4.350 -0.007 0.000 0.283 339 E C -0.085 176.593 176.600 0.129 0.000 1.061 339 E CA -0.072 56.379 56.400 0.086 0.000 0.861 339 E CB 0.948 30.691 29.700 0.073 0.000 1.056 339 E HN 0.725 nan 8.360 nan 0.000 0.407 340 S N 2.802 118.596 115.700 0.157 0.000 2.655 340 S HA 0.105 4.570 4.470 -0.007 0.000 0.265 340 S C 1.067 175.801 174.600 0.224 0.000 1.240 340 S CA -0.550 57.805 58.200 0.259 0.000 0.986 340 S CB 0.313 63.742 63.200 0.383 0.000 0.985 340 S HN 0.575 nan 8.310 nan 0.000 0.562 341 F N 1.150 121.151 119.950 0.085 0.000 2.202 341 F HA -0.065 4.457 4.527 -0.008 0.000 0.301 341 F C 1.517 177.353 175.800 0.061 0.000 1.082 341 F CA 1.486 59.524 58.000 0.063 0.000 1.313 341 F CB -0.319 38.714 39.000 0.055 0.000 1.024 341 F HN 0.545 nan 8.300 nan 0.000 0.495 342 D N -0.724 119.011 120.400 -1.108 0.000 2.368 342 D HA 0.235 4.870 4.640 -0.007 0.000 0.218 342 D C 1.737 177.829 176.300 -0.346 0.000 1.112 342 D CA 0.403 53.854 54.000 -0.915 0.000 0.834 342 D CB 0.184 40.248 40.800 -1.226 0.000 0.953 342 D HN 0.509 nan 8.370 nan 0.000 0.505 343 G N -0.092 108.600 108.800 -0.180 0.000 2.213 343 G HA2 -0.271 3.684 3.960 -0.007 0.000 0.236 343 G HA3 -0.271 3.684 3.960 -0.007 0.000 0.236 343 G C 0.425 175.305 174.900 -0.033 0.000 0.991 343 G CA 0.159 45.213 45.100 -0.077 0.000 0.629 343 G HN 0.416 nan 8.290 nan 0.000 0.517 344 S N 1.315 117.015 115.700 -0.000 0.000 2.572 344 S HA 0.504 4.969 4.470 -0.007 0.000 0.279 344 S C 0.586 175.203 174.600 0.029 0.000 1.341 344 S CA -0.131 58.101 58.200 0.052 0.000 1.043 344 S CB 0.809 64.161 63.200 0.254 0.000 0.887 344 S HN 0.461 nan 8.310 nan 0.000 0.516 345 R N 1.541 121.999 120.500 -0.071 0.000 2.229 345 R HA 0.365 4.700 4.340 -0.007 0.000 0.332 345 R C -1.294 174.967 176.300 -0.065 0.000 0.989 345 R CA -0.459 55.635 56.100 -0.011 0.000 0.842 345 R CB 1.026 31.323 30.300 -0.004 0.000 1.119 345 R HN 0.332 nan 8.270 nan 0.000 0.456 346 V N 6.027 125.925 119.914 -0.027 0.000 2.318 346 V HA 0.206 4.321 4.120 -0.007 0.000 0.271 346 V C -1.957 173.912 176.094 -0.375 0.000 1.030 346 V CA -2.107 60.121 62.300 -0.119 0.000 0.844 346 V CB 1.238 33.106 31.823 0.075 0.000 1.015 346 V HN 0.585 nan 8.190 nan 0.000 0.460 347 P HA 0.261 nan 4.420 nan 0.000 0.276 347 P C -0.355 176.512 177.300 -0.722 0.000 1.253 347 P CA 0.102 62.441 63.100 -1.267 0.000 0.766 347 P CB 0.608 31.217 31.700 -1.818 0.000 0.845 348 T N 3.850 117.974 114.554 -0.717 0.000 2.881 348 T HA 0.326 4.671 4.350 -0.007 0.000 0.291 348 T C -0.734 173.681 174.700 -0.474 0.000 0.990 348 T CA -0.180 61.666 62.100 -0.424 0.000 0.976 348 T CB 0.335 68.979 68.868 -0.374 0.000 0.970 348 T HN 0.125 nan 8.240 nan 0.000 0.438 349 Y N 1.739 121.950 120.300 -0.149 0.000 2.299 349 Y HA 0.546 5.092 4.550 -0.008 0.000 0.326 349 Y C 0.231 176.119 175.900 -0.019 0.000 1.164 349 Y CA -0.392 57.658 58.100 -0.083 0.000 1.234 349 Y CB 1.117 39.559 38.460 -0.031 0.000 1.219 349 Y HN 0.298 nan 8.280 nan 0.000 0.497 350 V N 5.157 125.169 119.914 0.163 0.000 2.531 350 V HA 0.290 4.405 4.120 -0.007 0.000 0.301 350 V C -1.169 175.043 176.094 0.198 0.000 1.034 350 V CA -0.852 61.559 62.300 0.185 0.000 0.865 350 V CB 1.763 33.703 31.823 0.196 0.000 0.995 350 V HN 0.454 nan 8.190 nan 0.000 0.424 351 L N 4.698 126.034 121.223 0.189 0.000 2.298 351 L HA 0.590 4.926 4.340 -0.007 0.000 0.284 351 L C 0.071 177.066 176.870 0.207 0.000 1.013 351 L CA 0.253 55.195 54.840 0.171 0.000 0.824 351 L CB 1.234 43.372 42.059 0.132 0.000 1.221 351 L HN 0.683 nan 8.230 nan 0.000 0.418 352 E N 2.100 122.418 120.200 0.196 0.000 2.343 352 E HA 0.300 4.645 4.350 -0.007 0.000 0.269 352 E C -0.769 176.025 176.600 0.324 0.000 1.047 352 E CA -0.368 56.194 56.400 0.271 0.000 0.874 352 E CB 1.348 31.123 29.700 0.125 0.000 1.033 352 E HN 0.605 nan 8.360 nan 0.000 0.409 353 S N 0.892 116.884 115.700 0.486 0.000 2.462 353 S HA 0.329 4.794 4.470 -0.007 0.000 0.294 353 S C 0.953 175.646 174.600 0.154 0.000 1.144 353 S CA -0.413 57.899 58.200 0.187 0.000 1.088 353 S CB 1.200 64.378 63.200 -0.036 0.000 1.009 353 S HN 0.649 nan 8.310 nan 0.000 0.484 354 G N 3.595 112.456 108.800 0.101 0.000 2.534 354 G HA2 -0.037 3.918 3.960 -0.007 0.000 0.217 354 G HA3 -0.037 3.918 3.960 -0.007 0.000 0.217 354 G C 1.107 176.026 174.900 0.031 0.000 1.128 354 G CA 0.079 45.224 45.100 0.077 0.000 0.784 354 G HN 0.728 nan 8.290 nan 0.000 0.542 355 R N -0.046 120.447 120.500 -0.011 0.000 2.466 355 R HA 0.498 4.834 4.340 -0.007 0.000 0.279 355 R C 0.241 176.467 176.300 -0.123 0.000 0.976 355 R CA 0.023 56.090 56.100 -0.056 0.000 1.081 355 R CB 0.670 30.934 30.300 -0.061 0.000 1.215 355 R HN 0.249 nan 8.270 nan 0.000 0.546 356 A N 1.529 124.259 122.820 -0.151 0.000 2.386 356 A HA 0.621 4.937 4.320 -0.007 0.000 0.311 356 A C -2.467 175.085 177.584 -0.054 0.000 1.068 356 A CA -1.752 50.146 52.037 -0.232 0.000 0.743 356 A CB 1.138 19.788 19.000 -0.583 0.000 1.258 356 A HN -0.094 nan 8.150 nan 0.000 0.429 357 P HA 0.408 nan 4.420 nan 0.000 0.286 357 P C -0.447 176.966 177.300 0.188 0.000 1.293 357 P CA -0.037 63.103 63.100 0.066 0.000 0.770 357 P CB 0.586 32.299 31.700 0.022 0.000 1.206 358 T N 1.473 116.102 114.554 0.125 0.000 2.892 358 T HA 0.373 4.718 4.350 -0.007 0.000 0.311 358 T C -2.298 172.421 174.700 0.033 0.000 1.033 358 T CA -0.903 61.252 62.100 0.092 0.000 0.991 358 T CB 0.454 69.347 68.868 0.042 0.000 0.981 358 T HN 0.377 nan 8.240 nan 0.000 0.457 359 P HA 0.578 nan 4.420 nan 0.000 0.275 359 P C -0.088 177.263 177.300 0.085 0.000 1.228 359 P CA -0.213 62.911 63.100 0.040 0.000 0.786 359 P CB 1.185 32.886 31.700 0.001 0.000 0.927 360 G N 1.331 110.227 108.800 0.159 0.000 2.866 360 G HA2 0.578 4.534 3.960 -0.007 0.000 0.289 360 G HA3 0.578 4.534 3.960 -0.007 0.000 0.289 360 G C -3.268 171.707 174.900 0.125 0.000 1.396 360 G CA -1.485 43.677 45.100 0.104 0.000 0.848 360 G HN 0.219 nan 8.290 nan 0.000 0.515 361 P HA 0.355 nan 4.420 nan 0.000 0.271 361 P C -0.585 176.916 177.300 0.335 0.000 1.220 361 P CA 0.260 63.480 63.100 0.198 0.000 0.768 361 P CB 1.237 32.952 31.700 0.024 0.000 0.848 362 T N 2.520 117.355 114.554 0.468 0.000 2.881 362 T HA 0.381 4.727 4.350 -0.007 0.000 0.290 362 T C -0.489 174.491 174.700 0.468 0.000 1.000 362 T CA -0.441 61.926 62.100 0.445 0.000 0.978 362 T CB 1.056 70.128 68.868 0.339 0.000 0.997 362 T HN -0.057 nan 8.240 nan 0.000 0.443 363 V N 3.563 123.693 119.914 0.360 0.000 2.398 363 V HA 0.343 4.459 4.120 -0.007 0.000 0.286 363 V C 0.108 176.320 176.094 0.196 0.000 1.026 363 V CA -0.795 61.641 62.300 0.226 0.000 0.868 363 V CB 1.683 33.521 31.823 0.024 0.000 0.982 363 V HN 0.733 nan 8.190 nan 0.000 0.443 364 V N 6.596 126.611 119.914 0.169 0.000 2.387 364 V HA 0.201 4.317 4.120 -0.007 0.000 0.260 364 V C -0.018 176.107 176.094 0.052 0.000 1.054 364 V CA -0.183 62.207 62.300 0.149 0.000 0.967 364 V CB 1.029 32.981 31.823 0.216 0.000 1.036 364 V HN 0.629 nan 8.190 nan 0.000 0.481 365 L N 8.036 129.312 121.223 0.089 0.000 2.270 365 L HA 0.458 4.793 4.340 -0.007 0.000 0.286 365 L C -0.101 176.825 176.870 0.093 0.000 1.059 365 L CA 0.282 55.162 54.840 0.066 0.000 0.839 365 L CB 1.138 43.242 42.059 0.075 0.000 1.221 365 L HN 0.415 nan 8.230 nan 0.000 0.431 366 V N 5.210 125.163 119.914 0.065 0.000 2.432 366 V HA 0.209 4.324 4.120 -0.007 0.000 0.271 366 V C 0.258 176.459 176.094 0.179 0.000 1.046 366 V CA -0.654 61.705 62.300 0.098 0.000 0.945 366 V CB 0.216 32.033 31.823 -0.009 0.000 0.992 366 V HN 0.917 nan 8.190 nan 0.000 0.471 367 H N 3.061 122.310 119.070 0.299 0.000 2.671 367 H HA 0.638 5.189 4.556 -0.007 0.000 0.372 367 H C 0.534 176.061 175.328 0.333 0.000 1.227 367 H CA 0.148 56.337 56.048 0.236 0.000 1.426 367 H CB 0.624 30.472 29.762 0.144 0.000 1.480 367 H HN 0.636 nan 8.280 nan 0.000 0.611 368 G N -1.060 108.051 108.800 0.518 0.000 2.641 368 G HA2 0.527 4.483 3.960 -0.007 0.000 0.239 368 G HA3 0.527 4.483 3.960 -0.007 0.000 0.239 368 G C 0.477 175.620 174.900 0.407 0.000 1.402 368 G CA -0.554 44.802 45.100 0.426 0.000 1.046 368 G HN 1.330 nan 8.290 nan 0.000 0.565 369 G N -0.497 108.411 108.800 0.179 0.000 2.979 369 G HA2 -0.164 3.792 3.960 -0.007 0.000 0.238 369 G HA3 -0.164 3.792 3.960 -0.007 0.000 0.238 369 G C -1.101 173.651 174.900 -0.247 0.000 1.805 369 G CA 0.641 45.735 45.100 -0.009 0.000 1.389 369 G HN 0.808 nan 8.290 nan 0.000 0.517 370 P HA 0.217 nan 4.420 nan 0.000 0.241 370 P C 0.406 177.665 177.300 -0.069 0.000 1.191 370 P CA 0.331 63.271 63.100 -0.266 0.000 0.771 370 P CB -0.274 31.042 31.700 -0.641 0.000 0.929 371 F N 1.319 121.273 119.950 0.007 0.000 2.661 371 F HA 0.451 4.974 4.527 -0.007 0.000 0.356 371 F C 1.065 176.836 175.800 -0.047 0.000 1.244 371 F CA -0.699 57.299 58.000 -0.004 0.000 1.290 371 F CB -0.066 38.942 39.000 0.014 0.000 1.677 371 F HN -0.009 nan 8.300 nan 0.000 0.649 372 A N 1.516 124.356 122.820 0.034 0.000 2.609 372 A HA 0.607 4.922 4.320 -0.007 0.000 0.291 372 A C -1.388 175.933 177.584 -0.438 0.000 1.096 372 A CA -0.788 51.141 52.037 -0.181 0.000 0.684 372 A CB 1.794 20.663 19.000 -0.220 0.000 1.282 372 A HN 0.419 nan 8.150 nan 0.000 0.412 373 E N 0.425 120.408 120.200 -0.361 0.000 2.212 373 E HA 0.442 4.788 4.350 -0.007 0.000 0.268 373 E C -1.530 174.918 176.600 -0.255 0.000 0.902 373 E CA -0.618 55.635 56.400 -0.246 0.000 0.779 373 E CB 1.376 31.034 29.700 -0.070 0.000 1.172 373 E HN 0.518 nan 8.360 nan 0.000 0.409 374 D N 2.245 122.602 120.400 -0.071 0.000 2.373 374 D HA 0.182 4.817 4.640 -0.007 0.000 0.227 374 D C -0.546 175.787 176.300 0.054 0.000 1.091 374 D CA 0.067 54.085 54.000 0.031 0.000 0.840 374 D CB 1.332 42.245 40.800 0.188 0.000 1.060 374 D HN 0.397 nan 8.370 nan 0.000 0.502 375 S N 1.476 117.104 115.700 -0.120 0.000 2.766 375 S HA 0.351 4.817 4.470 -0.007 0.000 0.307 375 S C -0.073 174.150 174.600 -0.629 0.000 1.121 375 S CA -0.881 57.141 58.200 -0.296 0.000 0.980 375 S CB 1.955 65.052 63.200 -0.173 0.000 1.159 375 S HN 0.134 nan 8.310 nan 0.000 0.546 376 D N 0.963 120.884 120.400 -0.800 0.000 2.558 376 D HA 0.451 5.087 4.640 -0.007 0.000 0.221 376 D C -0.911 175.207 176.300 -0.303 0.000 1.143 376 D CA 0.077 53.685 54.000 -0.652 0.000 1.010 376 D CB -0.676 39.825 40.800 -0.500 0.000 1.068 376 D HN 0.439 nan 8.370 nan 0.000 0.511 377 S N 2.023 117.586 115.700 -0.228 0.000 2.549 377 S HA 0.236 4.701 4.470 -0.007 0.000 0.280 377 S C -0.791 173.790 174.600 -0.031 0.000 1.109 377 S CA -0.985 57.141 58.200 -0.122 0.000 0.905 377 S CB 1.304 64.432 63.200 -0.120 0.000 1.081 377 S HN 0.413 nan 8.310 nan 0.000 0.477 378 W N 3.502 124.705 121.300 -0.163 0.000 2.385 378 W HA 0.105 4.761 4.660 -0.007 0.000 0.336 378 W C -0.979 175.493 176.519 -0.077 0.000 1.351 378 W CA 0.962 58.237 57.345 -0.116 0.000 1.295 378 W CB 0.203 29.584 29.460 -0.132 0.000 1.239 378 W HN 0.680 nan 8.180 nan 0.000 0.565 379 D N 4.544 124.562 120.400 -0.636 0.000 2.476 379 D HA 0.149 4.784 4.640 -0.007 0.000 0.251 379 D C 0.909 176.806 176.300 -0.671 0.000 1.291 379 D CA -0.372 53.344 54.000 -0.472 0.000 0.939 379 D CB 1.419 42.097 40.800 -0.203 0.000 1.221 379 D HN 0.262 nan 8.370 nan 0.000 0.567 380 T N 2.386 116.598 114.554 -0.569 0.000 2.721 380 T HA -0.187 4.159 4.350 -0.007 0.000 0.268 380 T C 1.512 176.016 174.700 -0.326 0.000 1.038 380 T CA 1.321 63.163 62.100 -0.430 0.000 1.145 380 T CB -0.288 68.449 68.868 -0.219 0.000 0.858 380 T HN 0.412 nan 8.240 nan 0.000 0.459 381 F N 1.481 121.267 119.950 -0.273 0.000 2.084 381 F HA 0.093 4.615 4.527 -0.008 0.000 0.296 381 F C 2.714 178.404 175.800 -0.183 0.000 1.111 381 F CA 0.838 58.716 58.000 -0.204 0.000 1.224 381 F CB -1.044 37.845 39.000 -0.185 0.000 0.991 381 F HN 0.112 nan 8.300 nan 0.000 0.471 382 A N 0.088 122.914 122.820 0.010 0.000 1.908 382 A HA -0.159 4.156 4.320 -0.007 0.000 0.218 382 A C 2.382 179.902 177.584 -0.108 0.000 1.181 382 A CA 2.071 54.083 52.037 -0.041 0.000 0.627 382 A CB -1.410 17.549 19.000 -0.067 0.000 0.818 382 A HN 0.335 nan 8.150 nan 0.000 0.445 383 A N -0.822 121.820 122.820 -0.296 0.000 1.933 383 A HA -0.045 4.270 4.320 -0.007 0.000 0.218 383 A C 2.429 179.949 177.584 -0.106 0.000 1.175 383 A CA 2.016 53.887 52.037 -0.277 0.000 0.628 383 A CB -0.777 17.856 19.000 -0.611 0.000 0.814 383 A HN 0.456 nan 8.150 nan 0.000 0.444 384 S N -0.201 115.426 115.700 -0.123 0.000 2.383 384 S HA -0.051 4.415 4.470 -0.007 0.000 0.227 384 S C 1.797 176.404 174.600 0.012 0.000 1.026 384 S CA 1.334 59.495 58.200 -0.066 0.000 0.981 384 S CB -0.388 62.724 63.200 -0.145 0.000 0.818 384 S HN 0.516 nan 8.310 nan 0.000 0.472 385 L N 1.014 122.253 121.223 0.028 0.000 2.056 385 L HA -0.068 4.267 4.340 -0.007 0.000 0.207 385 L C 2.792 179.781 176.870 0.199 0.000 1.078 385 L CA 1.125 56.032 54.840 0.112 0.000 0.749 385 L CB -0.681 41.411 42.059 0.054 0.000 0.901 385 L HN 0.304 nan 8.230 nan 0.000 0.433 386 A N 0.223 123.116 122.820 0.122 0.000 1.877 386 A HA -0.188 4.128 4.320 -0.007 0.000 0.216 386 A C 2.553 180.185 177.584 0.080 0.000 1.186 386 A CA 1.718 53.823 52.037 0.113 0.000 0.620 386 A CB -0.813 18.248 19.000 0.103 0.000 0.822 386 A HN 0.385 nan 8.150 nan 0.000 0.443 387 A N -0.327 122.535 122.820 0.070 0.000 1.986 387 A HA 0.097 4.412 4.320 -0.007 0.000 0.220 387 A C 2.211 179.825 177.584 0.050 0.000 1.171 387 A CA 2.098 54.169 52.037 0.057 0.000 0.640 387 A CB -0.766 18.267 19.000 0.055 0.000 0.811 387 A HN 1.205 nan 8.150 nan 0.000 0.451 388 A N -2.013 120.865 122.820 0.096 0.000 2.307 388 A HA 0.449 4.764 4.320 -0.007 0.000 0.218 388 A C 1.512 179.073 177.584 -0.038 0.000 1.228 388 A CA 1.026 53.124 52.037 0.102 0.000 0.857 388 A CB -0.866 18.275 19.000 0.235 0.000 0.897 388 A HN 1.953 nan 8.150 nan 0.000 0.495 389 G N -1.558 107.189 108.800 -0.089 0.000 2.140 389 G HA2 -0.198 3.758 3.960 -0.007 0.000 0.211 389 G HA3 -0.198 3.758 3.960 -0.007 0.000 0.211 389 G C -0.293 174.300 174.900 -0.511 0.000 1.013 389 G CA -0.114 44.804 45.100 -0.302 0.000 0.705 389 G HN 0.333 nan 8.290 nan 0.000 0.508 390 F N 1.305 121.191 119.950 -0.105 0.000 2.493 390 F HA 0.545 5.069 4.527 -0.006 0.000 0.329 390 F C 0.820 176.588 175.800 -0.053 0.000 1.126 390 F CA -1.165 56.785 58.000 -0.083 0.000 0.937 390 F CB 1.234 40.228 39.000 -0.011 0.000 1.146 390 F HN 0.052 nan 8.300 nan 0.000 0.442 391 H N 2.120 121.340 119.070 0.250 0.000 2.790 391 H HA 0.388 4.938 4.556 -0.010 0.000 0.358 391 H C -0.421 175.045 175.328 0.229 0.000 1.103 391 H CA -0.025 56.145 56.048 0.203 0.000 1.426 391 H CB 1.212 31.075 29.762 0.169 0.000 1.424 391 H HN 0.267 nan 8.280 nan 0.000 0.599 392 V N 3.422 123.533 119.914 0.328 0.000 2.531 392 V HA 0.253 4.369 4.120 -0.007 0.000 0.301 392 V C -0.052 176.185 176.094 0.238 0.000 1.034 392 V CA -0.798 61.648 62.300 0.243 0.000 0.865 392 V CB 1.997 33.923 31.823 0.173 0.000 0.995 392 V HN 0.417 nan 8.190 nan 0.000 0.424 393 V N 5.870 125.926 119.914 0.236 0.000 2.448 393 V HA 0.552 4.667 4.120 -0.007 0.000 0.295 393 V C -0.224 175.984 176.094 0.190 0.000 1.025 393 V CA -0.376 62.065 62.300 0.236 0.000 0.859 393 V CB 1.766 33.772 31.823 0.303 0.000 0.988 393 V HN 0.918 nan 8.190 nan 0.000 0.431 394 M N 7.835 127.536 119.600 0.167 0.000 1.960 394 M HA 0.361 4.836 4.480 -0.007 0.000 0.271 394 M C -2.911 173.492 176.300 0.171 0.000 0.862 394 M CA -1.285 54.122 55.300 0.178 0.000 0.854 394 M CB 2.280 34.990 32.600 0.183 0.000 1.575 394 M HN 0.352 nan 8.290 nan 0.000 0.375 395 P HA 0.205 nan 4.420 nan 0.000 0.297 395 P C -1.041 176.384 177.300 0.210 0.000 1.319 395 P CA -0.409 62.780 63.100 0.148 0.000 0.810 395 P CB 0.833 32.639 31.700 0.176 0.000 0.947 396 N N 3.589 122.364 118.700 0.125 0.000 2.971 396 N HA 0.023 4.758 4.740 -0.007 0.000 0.294 396 N C 0.306 175.976 175.510 0.266 0.000 1.210 396 N CA 0.002 53.145 53.050 0.156 0.000 1.157 396 N CB -0.536 38.006 38.487 0.092 0.000 1.450 396 N HN 0.487 nan 8.380 nan 0.000 0.527 397 Y N 0.069 120.524 120.300 0.258 0.000 2.757 397 Y HA -0.023 4.522 4.550 -0.008 0.000 0.344 397 Y C 1.156 177.108 175.900 0.086 0.000 1.263 397 Y CA -1.245 56.982 58.100 0.211 0.000 1.493 397 Y CB 0.327 38.832 38.460 0.075 0.000 1.342 397 Y HN 0.279 nan 8.280 nan 0.000 0.627 398 R N 1.628 122.033 120.500 -0.159 0.000 2.640 398 R HA 0.361 4.696 4.340 -0.007 0.000 0.270 398 R C 0.851 176.928 176.300 -0.371 0.000 1.024 398 R CA 0.553 55.979 56.100 -1.124 0.000 1.085 398 R CB -0.156 29.334 30.300 -1.349 0.000 0.963 398 R HN 1.380 nan 8.270 nan 0.000 0.426 399 G N 1.785 110.353 108.800 -0.386 0.000 2.284 399 G HA2 -0.277 3.679 3.960 -0.007 0.000 0.216 399 G HA3 -0.277 3.679 3.960 -0.007 0.000 0.216 399 G C -0.119 174.831 174.900 0.085 0.000 1.009 399 G CA 0.079 45.186 45.100 0.012 0.000 0.625 399 G HN 0.695 nan 8.290 nan 0.000 0.501 400 S N 1.686 117.352 115.700 -0.057 0.000 2.573 400 S HA 0.495 4.960 4.470 -0.007 0.000 0.277 400 S C 0.899 175.639 174.600 0.234 0.000 1.346 400 S CA 0.616 58.883 58.200 0.112 0.000 1.034 400 S CB 1.118 64.447 63.200 0.215 0.000 0.879 400 S HN 1.275 nan 8.310 nan 0.000 0.528 401 T N -1.448 113.208 114.554 0.170 0.000 2.881 401 T HA 0.649 4.994 4.350 -0.007 0.000 0.278 401 T C 1.165 175.964 174.700 0.165 0.000 0.982 401 T CA -0.094 62.095 62.100 0.148 0.000 0.989 401 T CB 1.073 69.981 68.868 0.065 0.000 1.058 401 T HN 1.243 nan 8.240 nan 0.000 0.529 402 G N -0.158 108.675 108.800 0.055 0.000 2.201 402 G HA2 -0.203 3.753 3.960 -0.007 0.000 0.212 402 G HA3 -0.203 3.753 3.960 -0.007 0.000 0.212 402 G C 0.081 174.687 174.900 -0.491 0.000 0.994 402 G CA 0.071 45.054 45.100 -0.194 0.000 0.644 402 G HN 0.787 nan 8.290 nan 0.000 0.508 403 Y N 0.715 121.084 120.300 0.116 0.000 2.742 403 Y HA 0.492 5.038 4.550 -0.007 0.000 0.248 403 Y C 1.154 177.124 175.900 0.117 0.000 1.132 403 Y CA 0.255 58.408 58.100 0.090 0.000 1.142 403 Y CB 1.164 39.636 38.460 0.020 0.000 1.222 403 Y HN 1.237 nan 8.280 nan 0.000 0.575 404 G N 0.650 109.552 108.800 0.170 0.000 2.690 404 G HA2 -0.236 3.720 3.960 -0.007 0.000 0.686 404 G HA3 -0.236 3.720 3.960 -0.007 0.000 0.686 404 G C 0.138 175.138 174.900 0.166 0.000 1.277 404 G CA -0.191 44.991 45.100 0.136 0.000 0.799 404 G HN 0.204 nan 8.290 nan 0.000 0.613 405 E N -0.116 120.139 120.200 0.092 0.000 2.150 405 E HA -0.091 4.254 4.350 -0.007 0.000 0.193 405 E C 2.151 178.805 176.600 0.091 0.000 0.985 405 E CA 2.162 58.597 56.400 0.060 0.000 0.814 405 E CB -0.081 29.628 29.700 0.014 0.000 0.752 405 E HN 0.682 nan 8.360 nan 0.000 0.466 406 E N -0.453 119.825 120.200 0.130 0.000 2.051 406 E HA -0.210 4.135 4.350 -0.007 0.000 0.192 406 E C 1.876 178.615 176.600 0.232 0.000 0.991 406 E CA 1.207 57.697 56.400 0.149 0.000 0.799 406 E CB -0.493 29.296 29.700 0.147 0.000 0.748 406 E HN 0.545 nan 8.360 nan 0.000 0.449 407 W N 1.754 123.102 121.300 0.080 0.000 2.358 407 W HA -0.206 4.449 4.660 -0.008 0.000 0.303 407 W C 2.399 178.989 176.519 0.118 0.000 1.208 407 W CA 1.424 58.834 57.345 0.108 0.000 1.274 407 W CB -0.122 29.423 29.460 0.142 0.000 1.138 407 W HN 0.108 nan 8.180 nan 0.000 0.515 408 R N 0.483 121.058 120.500 0.126 0.000 2.073 408 R HA -0.177 4.158 4.340 -0.007 0.000 0.234 408 R C 2.413 178.710 176.300 -0.004 0.000 1.134 408 R CA 1.605 57.720 56.100 0.025 0.000 0.952 408 R CB -0.812 29.493 30.300 0.008 0.000 0.850 408 R HN 0.236 nan 8.270 nan 0.000 0.433 409 L N 0.696 121.914 121.223 -0.009 0.000 2.275 409 L HA -0.123 4.212 4.340 -0.007 0.000 0.215 409 L C 2.241 179.109 176.870 -0.003 0.000 1.119 409 L CA 1.115 55.949 54.840 -0.009 0.000 0.790 409 L CB -0.218 41.835 42.059 -0.009 0.000 0.919 409 L HN 0.188 nan 8.230 nan 0.000 0.443 410 K N 0.097 120.471 120.400 -0.043 0.000 2.280 410 K HA -0.153 4.163 4.320 -0.007 0.000 0.202 410 K C 1.996 178.563 176.600 -0.054 0.000 1.047 410 K CA 0.980 57.231 56.287 -0.060 0.000 0.942 410 K CB -0.035 32.385 32.500 -0.134 0.000 0.739 410 K HN 0.289 nan 8.250 nan 0.000 0.457 411 I N 1.092 121.638 120.570 -0.040 0.000 2.546 411 I HA -0.124 4.041 4.170 -0.007 0.000 0.255 411 I C 0.101 176.226 176.117 0.014 0.000 1.163 411 I CA 0.345 61.652 61.300 0.010 0.000 1.457 411 I CB 0.320 38.354 38.000 0.057 0.000 1.092 411 I HN -0.026 nan 8.210 nan 0.000 0.434 412 I N 2.368 122.952 120.570 0.024 0.000 2.664 412 I HA 0.054 4.220 4.170 -0.007 0.000 0.284 412 I C 1.428 177.519 176.117 -0.043 0.000 1.154 412 I CA 1.169 62.463 61.300 -0.010 0.000 1.402 412 I CB -0.653 37.350 38.000 0.004 0.000 1.395 412 I HN 0.503 nan 8.210 nan 0.000 0.545 413 G N 5.608 114.355 108.800 -0.088 0.000 2.195 413 G HA2 -0.220 3.736 3.960 -0.007 0.000 0.224 413 G HA3 -0.220 3.736 3.960 -0.007 0.000 0.224 413 G C 0.220 175.081 174.900 -0.066 0.000 0.990 413 G CA 0.169 45.218 45.100 -0.085 0.000 0.639 413 G HN 0.571 nan 8.290 nan 0.000 0.514 414 D N 0.748 121.121 120.400 -0.045 0.000 2.997 414 D HA 0.328 4.964 4.640 -0.007 0.000 0.362 414 D C -2.183 174.137 176.300 0.034 0.000 1.298 414 D CA -0.977 53.021 54.000 -0.004 0.000 0.756 414 D CB 1.218 42.027 40.800 0.016 0.000 1.216 414 D HN 0.293 nan 8.370 nan 0.000 0.496 415 P HA 0.073 nan 4.420 nan 0.000 0.271 415 P C 0.355 177.786 177.300 0.217 0.000 1.218 415 P CA -0.079 63.135 63.100 0.190 0.000 0.780 415 P CB 1.341 33.116 31.700 0.125 0.000 0.901 416 C N 2.063 121.506 119.300 0.239 0.000 4.167 416 C HA -0.090 4.366 4.460 -0.007 0.000 0.302 416 C C 1.168 176.156 174.990 -0.005 0.000 1.384 416 C CA 1.002 60.052 59.018 0.054 0.000 2.041 416 C CB -2.260 25.509 27.740 0.048 0.000 1.303 416 C HN 0.879 nan 8.230 nan 0.000 0.718 417 G N -0.114 108.677 108.800 -0.015 0.000 3.341 417 G HA2 0.517 4.472 3.960 -0.007 0.000 0.186 417 G HA3 0.517 4.472 3.960 -0.007 0.000 0.186 417 G C 1.160 175.978 174.900 -0.137 0.000 1.430 417 G CA 0.780 45.836 45.100 -0.073 0.000 0.961 417 G HN 1.128 nan 8.290 nan 0.000 0.767 418 G N 1.013 109.771 108.800 -0.069 0.000 2.513 418 G HA2 -0.219 3.737 3.960 -0.007 0.000 0.219 418 G HA3 -0.219 3.737 3.960 -0.007 0.000 0.219 418 G C 1.571 176.484 174.900 0.022 0.000 1.160 418 G CA 2.016 47.111 45.100 -0.010 0.000 0.767 418 G HN 0.617 nan 8.290 nan 0.000 0.571 419 E N 0.873 121.099 120.200 0.042 0.000 2.072 419 E HA -0.133 4.213 4.350 -0.007 0.000 0.191 419 E C 2.495 179.098 176.600 0.004 0.000 0.985 419 E CA 1.248 57.701 56.400 0.088 0.000 0.801 419 E CB -0.819 28.974 29.700 0.155 0.000 0.750 419 E HN 0.365 nan 8.360 nan 0.000 0.452 420 L N 1.804 122.992 121.223 -0.059 0.000 2.012 420 L HA -0.178 4.157 4.340 -0.007 0.000 0.210 420 L C 2.333 179.165 176.870 -0.063 0.000 1.073 420 L CA 2.126 56.913 54.840 -0.088 0.000 0.748 420 L CB -0.585 41.403 42.059 -0.119 0.000 0.891 420 L HN -0.042 nan 8.230 nan 0.000 0.431 421 E N 0.086 120.202 120.200 -0.140 0.000 2.130 421 E HA -0.233 4.113 4.350 -0.007 0.000 0.196 421 E C 1.923 178.564 176.600 0.068 0.000 0.998 421 E CA 1.483 57.791 56.400 -0.152 0.000 0.806 421 E CB -0.478 28.866 29.700 -0.592 0.000 0.738 421 E HN 0.633 nan 8.360 nan 0.000 0.459 422 D N 0.188 120.676 120.400 0.147 0.000 2.097 422 D HA -0.101 4.535 4.640 -0.007 0.000 0.197 422 D C 2.202 178.622 176.300 0.199 0.000 0.984 422 D CA 0.693 54.837 54.000 0.241 0.000 0.826 422 D CB -0.346 40.654 40.800 0.333 0.000 0.973 422 D HN 0.011 nan 8.370 nan 0.000 0.460 423 V N 0.818 120.828 119.914 0.160 0.000 2.282 423 V HA -0.256 3.860 4.120 -0.007 0.000 0.249 423 V C 2.645 178.852 176.094 0.189 0.000 1.057 423 V CA 1.957 64.354 62.300 0.162 0.000 1.032 423 V CB -0.601 31.271 31.823 0.082 0.000 0.645 423 V HN 0.181 nan 8.190 nan 0.000 0.447 424 S N -0.650 115.126 115.700 0.128 0.000 2.359 424 S HA -0.201 4.264 4.470 -0.007 0.000 0.224 424 S C 2.134 176.788 174.600 0.090 0.000 1.035 424 S CA 1.612 59.855 58.200 0.072 0.000 1.018 424 S CB -0.372 62.831 63.200 0.006 0.000 0.876 424 S HN 0.644 nan 8.310 nan 0.000 0.448 425 A N 1.112 124.011 122.820 0.131 0.000 1.933 425 A HA 0.168 4.484 4.320 -0.007 0.000 0.218 425 A C 2.382 180.091 177.584 0.208 0.000 1.175 425 A CA 1.806 53.941 52.037 0.162 0.000 0.628 425 A CB -1.194 17.918 19.000 0.187 0.000 0.814 425 A HN 0.674 nan 8.150 nan 0.000 0.444 426 A N 0.027 122.972 122.820 0.208 0.000 1.877 426 A HA 0.124 4.439 4.320 -0.007 0.000 0.216 426 A C 2.527 180.311 177.584 0.333 0.000 1.186 426 A CA 2.200 54.392 52.037 0.257 0.000 0.620 426 A CB -1.093 18.029 19.000 0.203 0.000 0.822 426 A HN 1.060 nan 8.150 nan 0.000 0.443 427 A N -0.471 122.497 122.820 0.247 0.000 1.865 427 A HA -0.058 4.258 4.320 -0.007 0.000 0.217 427 A C 2.508 180.157 177.584 0.108 0.000 1.191 427 A CA 3.158 55.303 52.037 0.180 0.000 0.623 427 A CB -1.106 17.896 19.000 0.004 0.000 0.826 427 A HN 0.799 nan 8.150 nan 0.000 0.444 428 R N -1.444 119.107 120.500 0.085 0.000 2.105 428 R HA -0.215 4.121 4.340 -0.007 0.000 0.239 428 R C 2.018 178.376 176.300 0.097 0.000 1.135 428 R CA 1.937 58.071 56.100 0.057 0.000 0.967 428 R CB -1.941 28.395 30.300 0.060 0.000 0.861 428 R HN 0.945 nan 8.270 nan 0.000 0.442 429 W N 0.815 122.132 121.300 0.029 0.000 2.388 429 W HA 0.028 4.688 4.660 0.000 0.000 0.294 429 W C 2.364 178.901 176.519 0.030 0.000 1.212 429 W CA 1.494 58.858 57.345 0.032 0.000 1.271 429 W CB -0.058 29.426 29.460 0.040 0.000 1.126 429 W HN 0.422 nan 8.180 nan 0.000 0.535 430 A N 0.912 123.686 122.820 -0.076 0.000 1.902 430 A HA -0.183 4.132 4.320 -0.007 0.000 0.217 430 A C 2.130 179.498 177.584 -0.360 0.000 1.181 430 A CA 1.853 53.664 52.037 -0.376 0.000 0.623 430 A CB -0.981 18.064 19.000 0.075 0.000 0.818 430 A HN 0.439 nan 8.150 nan 0.000 0.443 431 R N -0.168 120.222 120.500 -0.183 0.000 2.073 431 R HA -0.144 4.192 4.340 -0.007 0.000 0.234 431 R C 1.910 178.096 176.300 -0.190 0.000 1.134 431 R CA 1.849 57.861 56.100 -0.146 0.000 0.952 431 R CB -0.238 30.008 30.300 -0.089 0.000 0.850 431 R HN 0.661 nan 8.270 nan 0.000 0.433 432 E N -0.308 119.764 120.200 -0.214 0.000 2.285 432 E HA -0.081 4.265 4.350 -0.007 0.000 0.194 432 E C 1.721 178.181 176.600 -0.234 0.000 0.997 432 E CA 1.140 57.438 56.400 -0.171 0.000 0.845 432 E CB 0.246 29.891 29.700 -0.092 0.000 0.782 432 E HN 0.406 nan 8.360 nan 0.000 0.491 433 S N -0.835 114.593 115.700 -0.454 0.000 2.527 433 S HA 0.134 4.599 4.470 -0.007 0.000 0.222 433 S C 1.645 176.055 174.600 -0.317 0.000 0.985 433 S CA 0.460 58.386 58.200 -0.456 0.000 0.921 433 S CB 0.476 63.111 63.200 -0.942 0.000 0.772 433 S HN 0.339 nan 8.310 nan 0.000 0.529 434 G N 0.604 109.231 108.800 -0.288 0.000 2.176 434 G HA2 -0.237 3.719 3.960 -0.007 0.000 0.232 434 G HA3 -0.237 3.719 3.960 -0.007 0.000 0.232 434 G C 0.456 175.250 174.900 -0.176 0.000 0.986 434 G CA 0.292 45.283 45.100 -0.181 0.000 0.643 434 G HN 0.574 nan 8.290 nan 0.000 0.522 435 L N 1.004 122.063 121.223 -0.274 0.000 2.109 435 L HA 0.702 5.037 4.340 -0.007 0.000 0.207 435 L C 1.660 178.501 176.870 -0.048 0.000 1.086 435 L CA 2.498 57.207 54.840 -0.217 0.000 0.760 435 L CB -0.275 41.599 42.059 -0.308 0.000 0.910 435 L HN 0.924 nan 8.230 nan 0.000 0.437 436 A N -1.756 121.033 122.820 -0.053 0.000 2.318 436 A HA 0.536 4.852 4.320 -0.007 0.000 0.324 436 A C 0.975 178.569 177.584 0.017 0.000 1.170 436 A CA 0.116 52.181 52.037 0.046 0.000 0.810 436 A CB 0.874 19.910 19.000 0.060 0.000 1.198 436 A HN 0.374 nan 8.150 nan 0.000 0.484 437 S N 1.465 117.194 115.700 0.048 0.000 2.404 437 S HA 0.101 4.567 4.470 -0.007 0.000 0.223 437 S C 0.477 175.080 174.600 0.004 0.000 1.040 437 S CA 0.764 58.974 58.200 0.018 0.000 0.957 437 S CB -0.294 62.921 63.200 0.024 0.000 0.826 437 S HN 0.886 nan 8.310 nan 0.000 0.491 438 E N 0.067 120.282 120.200 0.025 0.000 2.366 438 E HA 0.650 4.995 4.350 -0.007 0.000 0.278 438 E C -1.745 174.822 176.600 -0.055 0.000 0.923 438 E CA -1.006 55.366 56.400 -0.047 0.000 0.761 438 E CB 1.360 31.025 29.700 -0.058 0.000 1.231 438 E HN 0.182 nan 8.360 nan 0.000 0.443 439 L N 2.300 123.417 121.223 -0.177 0.000 2.329 439 L HA 0.561 4.897 4.340 -0.007 0.000 0.279 439 L C -1.189 175.565 176.870 -0.192 0.000 1.014 439 L CA -0.802 54.033 54.840 -0.009 0.000 0.814 439 L CB 1.047 43.157 42.059 0.084 0.000 1.257 439 L HN 0.601 nan 8.230 nan 0.000 0.424 440 Y N 2.507 123.001 120.300 0.324 0.000 2.602 440 Y HA 0.662 5.207 4.550 -0.008 0.000 0.342 440 Y C -0.401 175.400 175.900 -0.166 0.000 1.029 440 Y CA -0.774 57.414 58.100 0.146 0.000 1.080 440 Y CB 2.312 40.789 38.460 0.030 0.000 1.284 440 Y HN 0.342 nan 8.280 nan 0.000 0.485 441 I N 2.969 123.299 120.570 -0.399 0.000 2.582 441 I HA 0.631 4.797 4.170 -0.007 0.000 0.292 441 I C -1.518 174.420 176.117 -0.297 0.000 1.066 441 I CA -0.926 59.950 61.300 -0.706 0.000 1.053 441 I CB 1.652 38.686 38.000 -1.610 0.000 1.241 441 I HN 0.806 nan 8.210 nan 0.000 0.421 442 M N 7.191 126.673 119.600 -0.197 0.000 2.322 442 M HA 0.744 5.219 4.480 -0.007 0.000 0.285 442 M C -1.497 174.763 176.300 -0.065 0.000 1.119 442 M CA -0.125 55.113 55.300 -0.104 0.000 0.953 442 M CB 2.049 34.627 32.600 -0.037 0.000 1.701 442 M HN 0.728 nan 8.290 nan 0.000 0.479 443 G N 2.491 111.236 108.800 -0.090 0.000 2.559 443 G HA2 0.594 4.550 3.960 -0.007 0.000 0.291 443 G HA3 0.594 4.550 3.960 -0.007 0.000 0.291 443 G C -2.612 172.239 174.900 -0.082 0.000 1.424 443 G CA -0.566 44.544 45.100 0.017 0.000 0.786 443 G HN 0.705 nan 8.290 nan 0.000 0.485 444 Y N -0.049 120.207 120.300 -0.073 0.000 2.570 444 Y HA 0.599 5.144 4.550 -0.008 0.000 0.345 444 Y C 1.250 177.210 175.900 0.101 0.000 1.014 444 Y CA 0.370 58.445 58.100 -0.042 0.000 1.063 444 Y CB 2.360 40.691 38.460 -0.215 0.000 1.272 444 Y HN 1.299 nan 8.280 nan 0.000 0.477 445 S N 0.940 116.763 115.700 0.204 0.000 4.112 445 S HA -0.456 4.009 4.470 -0.007 0.000 0.602 445 S C 1.004 175.733 174.600 0.216 0.000 1.939 445 S CA 1.933 60.247 58.200 0.190 0.000 4.230 445 S CB -1.514 61.808 63.200 0.204 0.000 0.245 445 S HN 0.871 nan 8.310 nan 0.000 0.530 446 Y N 2.576 122.977 120.300 0.168 0.000 2.352 446 Y HA 0.153 4.699 4.550 -0.007 0.000 0.292 446 Y C 2.491 178.495 175.900 0.173 0.000 1.136 446 Y CA 2.282 60.513 58.100 0.219 0.000 1.227 446 Y CB -1.028 37.568 38.460 0.226 0.000 0.991 446 Y HN 0.616 nan 8.280 nan 0.000 0.545 447 G N -0.632 108.317 108.800 0.249 0.000 2.440 447 G HA2 -0.276 3.679 3.960 -0.007 0.000 0.218 447 G HA3 -0.276 3.679 3.960 -0.007 0.000 0.218 447 G C 1.918 176.799 174.900 -0.032 0.000 1.154 447 G CA 0.823 45.983 45.100 0.100 0.000 0.767 447 G HN 0.555 nan 8.290 nan 0.000 0.552 448 G N -0.208 108.576 108.800 -0.027 0.000 2.402 448 G HA2 -0.246 3.709 3.960 -0.007 0.000 0.216 448 G HA3 -0.246 3.709 3.960 -0.007 0.000 0.216 448 G C 1.626 176.460 174.900 -0.110 0.000 1.162 448 G CA 1.088 46.125 45.100 -0.105 0.000 0.777 448 G HN 0.421 nan 8.290 nan 0.000 0.539 449 Y N 0.923 121.083 120.300 -0.233 0.000 2.114 449 Y HA -0.189 4.357 4.550 -0.007 0.000 0.282 449 Y C 2.781 178.487 175.900 -0.322 0.000 1.165 449 Y CA 1.891 59.793 58.100 -0.331 0.000 1.148 449 Y CB -0.109 38.057 38.460 -0.491 0.000 0.972 449 Y HN 0.080 nan 8.280 nan 0.000 0.504 450 M N -0.480 118.883 119.600 -0.395 0.000 2.159 450 M HA -0.211 4.265 4.480 -0.007 0.000 0.263 450 M C 2.089 178.192 176.300 -0.329 0.000 1.063 450 M CA 2.024 57.070 55.300 -0.423 0.000 1.110 450 M CB -1.572 30.835 32.600 -0.321 0.000 1.374 450 M HN 0.266 nan 8.290 nan 0.000 0.411 451 T N 1.485 115.884 114.554 -0.259 0.000 2.684 451 T HA -0.114 4.232 4.350 -0.007 0.000 0.267 451 T C 2.004 176.583 174.700 -0.202 0.000 1.036 451 T CA 1.180 63.145 62.100 -0.226 0.000 1.148 451 T CB -0.295 68.452 68.868 -0.202 0.000 0.863 451 T HN 0.329 nan 8.240 nan 0.000 0.436 452 L N 0.316 121.401 121.223 -0.231 0.000 2.083 452 L HA -0.097 4.239 4.340 -0.007 0.000 0.209 452 L C 2.851 179.586 176.870 -0.225 0.000 1.083 452 L CA 0.819 55.536 54.840 -0.206 0.000 0.752 452 L CB -0.682 41.256 42.059 -0.203 0.000 0.899 452 L HN 0.400 nan 8.230 nan 0.000 0.433 453 C N -0.301 118.787 119.300 -0.354 0.000 2.440 453 C HA -0.072 4.383 4.460 -0.007 0.000 0.278 453 C C 3.147 178.032 174.990 -0.174 0.000 1.295 453 C CA 0.604 59.432 59.018 -0.316 0.000 1.738 453 C CB -0.986 26.463 27.740 -0.485 0.000 1.987 453 C HN 0.607 nan 8.230 nan 0.000 0.492 454 A N 0.290 123.036 122.820 -0.124 0.000 1.877 454 A HA -0.085 4.231 4.320 -0.007 0.000 0.216 454 A C 1.903 179.518 177.584 0.051 0.000 1.186 454 A CA 1.503 53.557 52.037 0.027 0.000 0.620 454 A CB -0.554 18.548 19.000 0.169 0.000 0.822 454 A HN 0.443 nan 8.150 nan 0.000 0.443 455 L N 0.296 121.530 121.223 0.018 0.000 2.217 455 L HA -0.078 4.258 4.340 -0.007 0.000 0.211 455 L C 2.777 179.641 176.870 -0.009 0.000 1.107 455 L CA 2.269 57.128 54.840 0.032 0.000 0.783 455 L CB -0.745 41.325 42.059 0.017 0.000 0.919 455 L HN 0.684 nan 8.230 nan 0.000 0.442 456 T N -5.507 109.018 114.554 -0.049 0.000 2.983 456 T HA -0.014 4.331 4.350 -0.007 0.000 0.250 456 T C 1.623 176.263 174.700 -0.100 0.000 1.037 456 T CA 0.411 62.476 62.100 -0.058 0.000 1.142 456 T CB -0.017 68.824 68.868 -0.046 0.000 0.876 456 T HN -0.010 nan 8.240 nan 0.000 0.455 457 M N 0.661 120.190 119.600 -0.118 0.000 2.492 457 M HA 0.365 4.841 4.480 -0.007 0.000 0.255 457 M C 0.480 176.720 176.300 -0.101 0.000 1.139 457 M CA 0.599 55.814 55.300 -0.142 0.000 1.096 457 M CB -0.165 32.337 32.600 -0.162 0.000 1.360 457 M HN 0.166 nan 8.290 nan 0.000 0.480 458 K N 1.292 121.652 120.400 -0.067 0.000 3.253 458 K HA 0.320 4.636 4.320 -0.007 0.000 0.174 458 K C -2.628 173.947 176.600 -0.042 0.000 1.071 458 K CA -1.143 55.106 56.287 -0.063 0.000 0.836 458 K CB 1.339 33.799 32.500 -0.068 0.000 0.922 458 K HN 0.062 nan 8.250 nan 0.000 0.565 459 P HA -0.007 nan 4.420 nan 0.000 0.268 459 P C 0.834 178.112 177.300 -0.037 0.000 1.205 459 P CA 1.053 64.143 63.100 -0.017 0.000 0.771 459 P CB 0.979 32.668 31.700 -0.018 0.000 0.858 460 G N 1.840 110.623 108.800 -0.028 0.000 2.225 460 G HA2 -0.329 3.627 3.960 -0.007 0.000 0.254 460 G HA3 -0.329 3.627 3.960 -0.007 0.000 0.254 460 G C 0.601 175.432 174.900 -0.115 0.000 0.988 460 G CA 0.317 45.385 45.100 -0.054 0.000 0.625 460 G HN 0.560 nan 8.290 nan 0.000 0.527 461 L N -0.063 121.052 121.223 -0.179 0.000 2.044 461 L HA 0.507 4.843 4.340 -0.007 0.000 0.205 461 L C 1.063 177.623 176.870 -0.517 0.000 1.075 461 L CA 1.513 56.118 54.840 -0.390 0.000 0.747 461 L CB -0.204 41.521 42.059 -0.557 0.000 0.903 461 L HN 0.242 nan 8.230 nan 0.000 0.435 462 F N -0.822 119.097 119.950 -0.051 0.000 2.458 462 F HA 0.295 4.817 4.527 -0.007 0.000 0.330 462 F C 1.449 177.194 175.800 -0.092 0.000 1.082 462 F CA -0.564 57.391 58.000 -0.076 0.000 0.995 462 F CB 1.189 40.174 39.000 -0.026 0.000 1.170 462 F HN -0.254 nan 8.300 nan 0.000 0.478 463 K N 1.392 121.791 120.400 -0.001 0.000 2.217 463 K HA 0.331 4.647 4.320 -0.007 0.000 0.202 463 K C -0.142 176.524 176.600 0.110 0.000 1.051 463 K CA 0.803 57.058 56.287 -0.054 0.000 0.952 463 K CB 0.215 32.533 32.500 -0.303 0.000 0.736 463 K HN 0.732 nan 8.250 nan 0.000 0.453 464 A N -0.777 122.180 122.820 0.228 0.000 2.597 464 A HA 0.581 4.896 4.320 -0.007 0.000 0.292 464 A C -1.084 176.702 177.584 0.337 0.000 1.057 464 A CA -0.445 51.802 52.037 0.350 0.000 0.674 464 A CB 1.284 20.525 19.000 0.401 0.000 1.278 464 A HN 0.160 nan 8.150 nan 0.000 0.416 465 G N -0.453 108.532 108.800 0.309 0.000 2.591 465 G HA2 0.629 4.585 3.960 -0.007 0.000 0.306 465 G HA3 0.629 4.585 3.960 -0.007 0.000 0.306 465 G C -1.431 173.515 174.900 0.076 0.000 1.334 465 G CA -0.522 44.647 45.100 0.114 0.000 0.981 465 G HN 1.198 nan 8.290 nan 0.000 0.491 466 V N 1.017 120.914 119.914 -0.028 0.000 2.384 466 V HA 0.704 4.820 4.120 -0.007 0.000 0.287 466 V C 0.303 176.272 176.094 -0.208 0.000 1.020 466 V CA -0.723 61.492 62.300 -0.141 0.000 0.850 466 V CB 1.309 33.078 31.823 -0.091 0.000 0.987 466 V HN 1.085 nan 8.190 nan 0.000 0.436 467 A N 3.901 126.580 122.820 -0.235 0.000 2.285 467 A HA 0.820 5.136 4.320 -0.007 0.000 0.310 467 A C 0.287 177.697 177.584 -0.289 0.000 1.266 467 A CA -0.178 51.714 52.037 -0.242 0.000 0.832 467 A CB 0.873 19.770 19.000 -0.173 0.000 1.163 467 A HN 0.993 nan 8.150 nan 0.000 0.499 468 G N 0.838 109.343 108.800 -0.492 0.000 2.388 468 G HA2 0.633 4.589 3.960 -0.007 0.000 0.330 468 G HA3 0.633 4.589 3.960 -0.007 0.000 0.330 468 G C 0.727 175.502 174.900 -0.208 0.000 1.142 468 G CA 0.072 44.860 45.100 -0.520 0.000 0.908 468 G HN 2.265 nan 8.290 nan 0.000 0.473 469 A N 0.768 123.528 122.820 -0.100 0.000 2.665 469 A HA -0.072 4.244 4.320 -0.007 0.000 0.301 469 A C 1.263 178.843 177.584 -0.007 0.000 1.509 469 A CA 1.094 53.031 52.037 -0.167 0.000 0.789 469 A CB -2.145 16.804 19.000 -0.084 0.000 1.024 469 A HN 2.167 nan 8.150 nan 0.000 0.460 470 S N -1.591 114.173 115.700 0.107 0.000 2.632 470 S HA 0.702 5.167 4.470 -0.007 0.000 0.267 470 S C 0.194 174.837 174.600 0.071 0.000 1.276 470 S CA -0.320 57.917 58.200 0.061 0.000 0.998 470 S CB 1.896 65.091 63.200 -0.007 0.000 0.953 470 S HN 1.097 nan 8.310 nan 0.000 0.547 471 V N 1.407 121.283 119.914 -0.064 0.000 2.532 471 V HA 0.398 4.513 4.120 -0.007 0.000 0.295 471 V C 0.475 176.399 176.094 -0.283 0.000 1.041 471 V CA -0.402 61.753 62.300 -0.242 0.000 0.926 471 V CB 1.643 33.089 31.823 -0.628 0.000 0.992 471 V HN 0.877 nan 8.190 nan 0.000 0.457 472 V N 1.923 121.665 119.914 -0.288 0.000 3.473 472 V HA 0.325 4.440 4.120 -0.007 0.000 0.253 472 V C -0.367 175.580 176.094 -0.246 0.000 1.340 472 V CA 0.529 62.698 62.300 -0.218 0.000 1.103 472 V CB 0.971 32.691 31.823 -0.172 0.000 0.881 472 V HN 0.938 nan 8.190 nan 0.000 0.451 473 D N -1.910 118.317 120.400 -0.288 0.000 2.470 473 D HA 0.148 4.783 4.640 -0.007 0.000 0.233 473 D C 0.079 176.288 176.300 -0.151 0.000 1.372 473 D CA -0.513 53.374 54.000 -0.189 0.000 0.994 473 D CB 0.704 41.449 40.800 -0.092 0.000 1.377 473 D HN 0.133 nan 8.370 nan 0.000 0.586 474 W N 2.237 123.521 121.300 -0.026 0.000 2.388 474 W HA -0.009 4.646 4.660 -0.008 0.000 0.294 474 W C 2.160 178.666 176.519 -0.022 0.000 1.212 474 W CA 0.358 57.666 57.345 -0.061 0.000 1.271 474 W CB 0.235 29.627 29.460 -0.113 0.000 1.126 474 W HN 0.518 nan 8.180 nan 0.000 0.535 475 E N 0.835 121.161 120.200 0.210 0.000 2.077 475 E HA -0.282 4.064 4.350 -0.007 0.000 0.193 475 E C 1.987 178.683 176.600 0.161 0.000 0.989 475 E CA 1.544 58.035 56.400 0.151 0.000 0.800 475 E CB -0.128 29.623 29.700 0.084 0.000 0.746 475 E HN 0.359 nan 8.360 nan 0.000 0.452 476 E N -0.162 120.099 120.200 0.103 0.000 2.038 476 E HA -0.218 4.127 4.350 -0.007 0.000 0.195 476 E C 2.116 178.782 176.600 0.110 0.000 1.000 476 E CA 1.395 57.843 56.400 0.080 0.000 0.803 476 E CB 0.024 29.744 29.700 0.033 0.000 0.750 476 E HN 0.230 nan 8.360 nan 0.000 0.448 477 M N -0.225 119.452 119.600 0.130 0.000 2.213 477 M HA -0.157 4.319 4.480 -0.007 0.000 0.263 477 M C 2.181 178.582 176.300 0.169 0.000 1.062 477 M CA 1.090 56.484 55.300 0.157 0.000 1.105 477 M CB -0.752 31.951 32.600 0.173 0.000 1.385 477 M HN 0.281 nan 8.290 nan 0.000 0.417 478 Y N 1.875 122.204 120.300 0.048 0.000 2.241 478 Y HA -0.274 4.272 4.550 -0.007 0.000 0.286 478 Y C 2.431 178.349 175.900 0.031 0.000 1.166 478 Y CA 2.574 60.682 58.100 0.013 0.000 1.203 478 Y CB -0.452 38.009 38.460 0.001 0.000 0.977 478 Y HN 0.417 nan 8.280 nan 0.000 0.529 479 E N -0.594 119.632 120.200 0.043 0.000 2.216 479 E HA 0.158 4.503 4.350 -0.007 0.000 0.192 479 E C 2.240 178.828 176.600 -0.019 0.000 0.973 479 E CA 1.027 57.404 56.400 -0.038 0.000 0.851 479 E CB -1.164 28.557 29.700 0.034 0.000 0.804 479 E HN 0.475 nan 8.360 nan 0.000 0.477 480 L N 1.150 122.395 121.223 0.036 0.000 2.095 480 L HA 0.269 4.604 4.340 -0.007 0.000 0.204 480 L C 2.322 179.235 176.870 0.071 0.000 1.080 480 L CA 1.815 56.688 54.840 0.055 0.000 0.759 480 L CB -1.227 40.880 42.059 0.080 0.000 0.914 480 L HN 0.535 nan 8.230 nan 0.000 0.439 481 S N -0.245 115.522 115.700 0.112 0.000 2.694 481 S HA 0.464 4.930 4.470 -0.007 0.000 0.278 481 S C -0.078 174.604 174.600 0.136 0.000 1.152 481 S CA -0.102 58.210 58.200 0.186 0.000 1.010 481 S CB 0.640 64.096 63.200 0.427 0.000 1.104 481 S HN 0.733 nan 8.310 nan 0.000 0.547 482 D N -0.460 120.044 120.400 0.174 0.000 2.377 482 D HA 0.526 5.162 4.640 -0.007 0.000 0.245 482 D C 1.342 177.722 176.300 0.133 0.000 1.196 482 D CA -0.193 53.879 54.000 0.120 0.000 0.962 482 D CB 0.353 41.214 40.800 0.101 0.000 1.127 482 D HN 0.553 nan 8.370 nan 0.000 0.471 483 A N 0.961 123.836 122.820 0.091 0.000 1.903 483 A HA -0.156 4.160 4.320 -0.007 0.000 0.219 483 A C 2.222 179.889 177.584 0.138 0.000 1.191 483 A CA 2.769 54.858 52.037 0.087 0.000 0.638 483 A CB -1.573 17.467 19.000 0.067 0.000 0.823 483 A HN 0.764 nan 8.150 nan 0.000 0.451 484 A N -2.160 120.760 122.820 0.166 0.000 1.969 484 A HA 0.025 4.341 4.320 -0.007 0.000 0.218 484 A C 2.113 179.895 177.584 0.330 0.000 1.169 484 A CA 1.369 53.529 52.037 0.204 0.000 0.635 484 A CB -0.543 18.554 19.000 0.162 0.000 0.810 484 A HN 0.638 nan 8.150 nan 0.000 0.445 485 F N -0.259 119.775 119.950 0.140 0.000 2.270 485 F HA -0.028 4.495 4.527 -0.008 0.000 0.295 485 F C 2.542 178.486 175.800 0.240 0.000 1.087 485 F CA 0.422 58.545 58.000 0.205 0.000 1.365 485 F CB 0.044 39.143 39.000 0.164 0.000 1.056 485 F HN 0.106 nan 8.300 nan 0.000 0.506 486 R N 0.356 120.973 120.500 0.195 0.000 2.096 486 R HA -0.263 4.072 4.340 -0.007 0.000 0.240 486 R C 2.104 178.497 176.300 0.155 0.000 1.139 486 R CA 1.759 57.916 56.100 0.095 0.000 0.952 486 R CB -0.998 29.275 30.300 -0.046 0.000 0.854 486 R HN 0.375 nan 8.270 nan 0.000 0.436 487 N N 0.532 119.332 118.700 0.165 0.000 2.069 487 N HA -0.216 4.519 4.740 -0.007 0.000 0.191 487 N C 1.770 177.362 175.510 0.137 0.000 1.031 487 N CA 1.456 54.597 53.050 0.151 0.000 0.852 487 N CB -0.121 38.462 38.487 0.159 0.000 1.018 487 N HN 0.111 nan 8.380 nan 0.000 0.423 488 F N 1.914 121.917 119.950 0.088 0.000 2.095 488 F HA -0.088 4.435 4.527 -0.008 0.000 0.298 488 F C 2.255 177.988 175.800 -0.110 0.000 1.104 488 F CA 1.242 59.274 58.000 0.053 0.000 1.232 488 F CB -0.503 38.593 39.000 0.160 0.000 0.987 488 F HN 0.003 nan 8.300 nan 0.000 0.475 489 I N 0.325 120.669 120.570 -0.377 0.000 2.361 489 I HA -0.275 3.890 4.170 -0.007 0.000 0.251 489 I C 2.444 178.265 176.117 -0.495 0.000 1.133 489 I CA 1.808 62.760 61.300 -0.580 0.000 1.413 489 I CB -0.619 37.224 38.000 -0.261 0.000 1.073 489 I HN 0.319 nan 8.210 nan 0.000 0.424 490 E N 0.848 120.903 120.200 -0.241 0.000 2.047 490 E HA -0.261 4.085 4.350 -0.007 0.000 0.191 490 E C 2.237 178.693 176.600 -0.239 0.000 0.987 490 E CA 1.162 57.440 56.400 -0.204 0.000 0.799 490 E CB -0.015 29.687 29.700 0.004 0.000 0.752 490 E HN 0.426 nan 8.360 nan 0.000 0.449 491 Q N -0.048 119.619 119.800 -0.222 0.000 2.030 491 Q HA -0.200 4.135 4.340 -0.007 0.000 0.204 491 Q C 2.374 178.202 176.000 -0.288 0.000 0.986 491 Q CA 1.589 57.278 55.803 -0.190 0.000 0.843 491 Q CB -0.191 28.488 28.738 -0.098 0.000 0.904 491 Q HN 0.314 nan 8.270 nan 0.000 0.420 492 L N 0.408 121.312 121.223 -0.531 0.000 2.127 492 L HA -0.149 4.187 4.340 -0.007 0.000 0.211 492 L C 2.142 178.746 176.870 -0.443 0.000 1.089 492 L CA 2.269 56.762 54.840 -0.579 0.000 0.757 492 L CB -0.468 40.967 42.059 -1.041 0.000 0.899 492 L HN 0.344 nan 8.230 nan 0.000 0.434 493 T N -4.447 109.832 114.554 -0.458 0.000 3.105 493 T HA 0.351 4.697 4.350 -0.007 0.000 0.253 493 T C 1.298 175.853 174.700 -0.241 0.000 1.047 493 T CA 0.164 62.047 62.100 -0.361 0.000 0.944 493 T CB -0.158 68.452 68.868 -0.430 0.000 1.016 493 T HN 0.520 nan 8.240 nan 0.000 0.544 494 G N 1.232 109.907 108.800 -0.208 0.000 2.225 494 G HA2 0.045 4.001 3.960 -0.007 0.000 0.267 494 G HA3 0.045 4.001 3.960 -0.007 0.000 0.267 494 G C 1.100 175.915 174.900 -0.142 0.000 1.024 494 G CA 0.263 45.278 45.100 -0.142 0.000 0.784 494 G HN 1.758 nan 8.290 nan 0.000 0.507 495 G N -1.519 107.166 108.800 -0.193 0.000 2.203 495 G HA2 -0.019 3.937 3.960 -0.007 0.000 0.263 495 G HA3 -0.019 3.937 3.960 -0.007 0.000 0.263 495 G C 0.509 175.293 174.900 -0.194 0.000 1.012 495 G CA 1.308 46.290 45.100 -0.195 0.000 0.749 495 G HN 2.176 nan 8.290 nan 0.000 0.512 496 S N -0.913 114.671 115.700 -0.195 0.000 2.422 496 S HA 0.542 5.007 4.470 -0.007 0.000 0.298 496 S C 1.561 176.058 174.600 -0.171 0.000 1.118 496 S CA -0.261 57.849 58.200 -0.150 0.000 1.083 496 S CB 0.881 64.015 63.200 -0.110 0.000 0.971 496 S HN 0.406 nan 8.310 nan 0.000 0.478 497 R N 2.367 122.780 120.500 -0.145 0.000 2.148 497 R HA -0.058 4.277 4.340 -0.007 0.000 0.227 497 R C 1.859 178.118 176.300 -0.068 0.000 1.103 497 R CA 1.282 57.309 56.100 -0.122 0.000 0.983 497 R CB -0.078 30.175 30.300 -0.079 0.000 0.874 497 R HN 0.654 nan 8.270 nan 0.000 0.451 498 E N 0.845 121.013 120.200 -0.054 0.000 2.077 498 E HA -0.142 4.204 4.350 -0.007 0.000 0.193 498 E C 1.600 178.190 176.600 -0.016 0.000 0.989 498 E CA 1.349 57.733 56.400 -0.026 0.000 0.800 498 E CB -0.091 29.596 29.700 -0.022 0.000 0.746 498 E HN 0.301 nan 8.360 nan 0.000 0.452 499 I N -0.342 120.205 120.570 -0.039 0.000 2.286 499 I HA -0.245 3.921 4.170 -0.007 0.000 0.245 499 I C 2.410 178.523 176.117 -0.006 0.000 1.104 499 I CA 0.823 62.106 61.300 -0.028 0.000 1.397 499 I CB -0.198 37.757 38.000 -0.074 0.000 1.072 499 I HN 0.182 nan 8.210 nan 0.000 0.417 500 M N 0.024 119.590 119.600 -0.056 0.000 2.089 500 M HA -0.283 4.192 4.480 -0.007 0.000 0.257 500 M C 2.445 178.825 176.300 0.133 0.000 1.071 500 M CA 2.103 57.413 55.300 0.017 0.000 1.096 500 M CB -0.409 32.149 32.600 -0.069 0.000 1.330 500 M HN 0.128 nan 8.290 nan 0.000 0.403 501 R N -0.324 120.211 120.500 0.059 0.000 2.061 501 R HA -0.097 4.239 4.340 -0.007 0.000 0.230 501 R C 2.425 178.758 176.300 0.055 0.000 1.140 501 R CA 1.911 58.036 56.100 0.042 0.000 0.940 501 R CB -0.755 29.547 30.300 0.004 0.000 0.839 501 R HN 0.460 nan 8.270 nan 0.000 0.429 502 S N 0.605 116.351 115.700 0.076 0.000 2.481 502 S HA 0.004 4.470 4.470 -0.007 0.000 0.231 502 S C 1.419 176.158 174.600 0.232 0.000 0.996 502 S CA 0.531 58.814 58.200 0.138 0.000 0.942 502 S CB 0.120 63.389 63.200 0.116 0.000 0.768 502 S HN 0.131 nan 8.310 nan 0.000 0.520 503 R N 1.506 122.142 120.500 0.226 0.000 2.426 503 R HA 0.380 4.716 4.340 -0.007 0.000 0.263 503 R C -0.358 176.190 176.300 0.414 0.000 0.961 503 R CA -0.024 56.262 56.100 0.311 0.000 1.086 503 R CB -0.376 30.114 30.300 0.317 0.000 1.186 503 R HN 0.287 nan 8.270 nan 0.000 0.537 504 S N 2.655 118.510 115.700 0.259 0.000 2.422 504 S HA 0.229 4.695 4.470 -0.007 0.000 0.298 504 S C -1.660 172.969 174.600 0.048 0.000 1.118 504 S CA -1.222 57.045 58.200 0.113 0.000 1.083 504 S CB 1.812 65.023 63.200 0.018 0.000 0.971 504 S HN -0.024 nan 8.310 nan 0.000 0.478 505 P HA -0.071 nan 4.420 nan 0.000 0.218 505 P C 1.348 178.621 177.300 -0.045 0.000 1.148 505 P CA 0.554 63.658 63.100 0.006 0.000 0.822 505 P CB 0.079 31.725 31.700 -0.090 0.000 0.784 506 I N -0.540 119.972 120.570 -0.098 0.000 2.502 506 I HA -0.218 3.947 4.170 -0.007 0.000 0.258 506 I C 1.022 177.055 176.117 -0.140 0.000 1.172 506 I CA 1.318 62.547 61.300 -0.118 0.000 1.430 506 I CB -0.172 37.754 38.000 -0.122 0.000 1.086 506 I HN -0.099 nan 8.210 nan 0.000 0.440 507 N N -0.129 118.440 118.700 -0.218 0.000 2.383 507 N HA 0.015 4.751 4.740 -0.007 0.000 0.192 507 N C 0.084 175.298 175.510 -0.494 0.000 1.141 507 N CA 0.547 53.383 53.050 -0.358 0.000 0.851 507 N CB 0.037 38.256 38.487 -0.448 0.000 0.976 507 N HN 0.469 nan 8.380 nan 0.000 0.465 508 H N -1.029 118.013 119.070 -0.048 0.000 2.885 508 H HA 0.209 4.761 4.556 -0.007 0.000 0.237 508 H C 1.320 176.615 175.328 -0.054 0.000 1.229 508 H CA -0.194 55.827 56.048 -0.046 0.000 0.947 508 H CB 0.139 29.873 29.762 -0.047 0.000 2.223 508 H HN -0.127 nan 8.280 nan 0.000 0.628 509 V N 0.681 120.606 119.914 0.017 0.000 2.407 509 V HA -0.252 3.864 4.120 -0.007 0.000 0.248 509 V C 2.496 178.589 176.094 -0.002 0.000 1.055 509 V CA 2.583 64.872 62.300 -0.019 0.000 1.049 509 V CB -0.713 31.071 31.823 -0.065 0.000 0.662 509 V HN 0.692 nan 8.190 nan 0.000 0.455 510 D N -0.187 120.219 120.400 0.010 0.000 2.228 510 D HA -0.281 4.354 4.640 -0.007 0.000 0.203 510 D C 2.188 178.496 176.300 0.014 0.000 0.988 510 D CA 1.767 55.774 54.000 0.012 0.000 0.864 510 D CB -0.464 40.346 40.800 0.017 0.000 0.928 510 D HN 0.537 nan 8.370 nan 0.000 0.469 511 R N -0.999 119.513 120.500 0.020 0.000 2.240 511 R HA 0.279 4.615 4.340 -0.007 0.000 0.203 511 R C 0.701 177.002 176.300 0.001 0.000 1.011 511 R CA -0.205 55.896 56.100 0.003 0.000 1.007 511 R CB 0.004 30.295 30.300 -0.016 0.000 0.911 511 R HN 0.442 nan 8.270 nan 0.000 0.468 512 I N 1.853 122.426 120.570 0.005 0.000 2.598 512 I HA -0.083 4.082 4.170 -0.007 0.000 0.284 512 I C 0.947 177.078 176.117 0.023 0.000 1.140 512 I CA 0.475 61.782 61.300 0.011 0.000 1.420 512 I CB 0.756 38.760 38.000 0.006 0.000 1.387 512 I HN -0.043 nan 8.210 nan 0.000 0.553 513 K N 4.418 124.837 120.400 0.030 0.000 2.373 513 K HA 0.270 4.586 4.320 -0.007 0.000 0.200 513 K C -0.078 176.556 176.600 0.056 0.000 1.054 513 K CA 0.203 56.511 56.287 0.036 0.000 1.065 513 K CB 0.457 32.970 32.500 0.022 0.000 0.886 513 K HN 0.521 nan 8.250 nan 0.000 0.546 514 E N 0.391 120.637 120.200 0.076 0.000 2.299 514 E HA 0.356 4.702 4.350 -0.007 0.000 0.265 514 E C -2.725 173.966 176.600 0.152 0.000 0.911 514 E CA -2.299 54.166 56.400 0.108 0.000 0.789 514 E CB 1.287 31.060 29.700 0.122 0.000 1.246 514 E HN -0.225 nan 8.360 nan 0.000 0.427 515 P HA 0.073 nan 4.420 nan 0.000 0.268 515 P C -1.247 176.286 177.300 0.390 0.000 1.204 515 P CA -0.216 63.067 63.100 0.304 0.000 0.768 515 P CB 0.361 32.261 31.700 0.334 0.000 0.842 516 L N 3.145 124.527 121.223 0.265 0.000 2.385 516 L HA 0.758 5.094 4.340 -0.007 0.000 0.273 516 L C -1.053 175.713 176.870 -0.173 0.000 0.990 516 L CA -0.838 54.044 54.840 0.069 0.000 0.821 516 L CB 1.585 43.665 42.059 0.035 0.000 1.279 516 L HN 0.387 nan 8.230 nan 0.000 0.412 517 A N 6.221 128.730 122.820 -0.518 0.000 2.287 517 A HA 0.735 5.051 4.320 -0.007 0.000 0.317 517 A C -1.165 176.235 177.584 -0.308 0.000 1.220 517 A CA -0.487 51.141 52.037 -0.683 0.000 0.835 517 A CB 0.451 18.590 19.000 -1.436 0.000 1.180 517 A HN 0.721 nan 8.150 nan 0.000 0.500 518 L N 3.605 124.735 121.223 -0.154 0.000 2.272 518 L HA 0.527 4.863 4.340 -0.007 0.000 0.289 518 L C -0.697 176.162 176.870 -0.018 0.000 1.032 518 L CA -0.164 54.622 54.840 -0.090 0.000 0.810 518 L CB 1.214 43.230 42.059 -0.071 0.000 1.205 518 L HN 0.575 nan 8.230 nan 0.000 0.422 519 I N 2.622 123.184 120.570 -0.013 0.000 2.406 519 I HA 0.410 4.576 4.170 -0.007 0.000 0.290 519 I C -0.873 175.306 176.117 0.104 0.000 0.999 519 I CA -0.496 60.838 61.300 0.058 0.000 1.124 519 I CB 1.683 39.683 38.000 0.000 0.000 1.289 519 I HN 0.560 nan 8.210 nan 0.000 0.441 520 H N 6.559 125.632 119.070 0.005 0.000 3.026 520 H HA 0.372 4.923 4.556 -0.008 0.000 0.352 520 H C -2.783 172.556 175.328 0.017 0.000 1.090 520 H CA -1.165 54.882 56.048 -0.002 0.000 1.268 520 H CB 2.929 32.679 29.762 -0.020 0.000 1.816 520 H HN 0.246 nan 8.280 nan 0.000 0.518 521 P HA 0.018 nan 4.420 nan 0.000 0.271 521 P C -0.270 177.058 177.300 0.046 0.000 1.216 521 P CA -0.266 62.804 63.100 -0.050 0.000 0.771 521 P CB 1.385 33.014 31.700 -0.119 0.000 0.864 522 Q N 2.480 122.314 119.800 0.057 0.000 2.360 522 Q HA -0.001 4.335 4.340 -0.007 0.000 0.202 522 Q C 0.454 176.483 176.000 0.049 0.000 0.915 522 Q CA 0.897 56.742 55.803 0.071 0.000 0.943 522 Q CB -0.296 28.475 28.738 0.055 0.000 1.064 522 Q HN 0.386 nan 8.270 nan 0.000 0.511 523 N N -0.613 118.104 118.700 0.028 0.000 2.286 523 N HA 0.045 4.780 4.740 -0.007 0.000 0.245 523 N C -1.234 174.278 175.510 0.005 0.000 1.363 523 N CA -0.349 52.712 53.050 0.018 0.000 0.822 523 N CB -0.291 38.205 38.487 0.014 0.000 1.345 523 N HN 0.123 nan 8.380 nan 0.000 0.494 524 N N 1.246 119.943 118.700 -0.005 0.000 2.501 524 N HA 0.100 4.835 4.740 -0.007 0.000 0.245 524 N C 0.472 175.971 175.510 -0.018 0.000 0.974 524 N CA -0.156 52.879 53.050 -0.025 0.000 0.941 524 N CB 1.424 39.878 38.487 -0.055 0.000 1.122 524 N HN 0.189 nan 8.380 nan 0.000 0.507 525 S N 2.006 117.699 115.700 -0.013 0.000 2.595 525 S HA -0.088 4.377 4.470 -0.007 0.000 0.235 525 S C 1.790 176.384 174.600 -0.009 0.000 0.974 525 S CA 0.859 59.060 58.200 0.002 0.000 0.942 525 S CB -0.268 62.936 63.200 0.006 0.000 0.766 525 S HN 0.680 nan 8.310 nan 0.000 0.536 526 R N 1.267 121.731 120.500 -0.060 0.000 2.237 526 R HA 0.248 4.583 4.340 -0.007 0.000 0.195 526 R C 1.439 177.695 176.300 -0.073 0.000 0.956 526 R CA 1.047 57.059 56.100 -0.146 0.000 1.029 526 R CB -1.076 29.073 30.300 -0.252 0.000 0.972 526 R HN 0.692 nan 8.270 nan 0.000 0.493 527 T N -0.229 114.309 114.554 -0.027 0.000 3.317 527 T HA 0.402 4.748 4.350 -0.007 0.000 0.361 527 T C -3.025 171.743 174.700 0.113 0.000 1.499 527 T CA -2.051 60.072 62.100 0.039 0.000 1.529 527 T CB 1.673 70.491 68.868 -0.083 0.000 0.997 527 T HN 0.174 nan 8.240 nan 0.000 0.624 528 P HA 0.166 nan 4.420 nan 0.000 0.272 528 P C 0.721 178.139 177.300 0.197 0.000 1.240 528 P CA -0.697 62.482 63.100 0.133 0.000 0.791 528 P CB 1.184 32.940 31.700 0.093 0.000 0.978 529 L N 1.753 123.058 121.223 0.136 0.000 2.209 529 L HA 0.018 4.353 4.340 -0.007 0.000 0.207 529 L C 2.526 179.381 176.870 -0.026 0.000 1.094 529 L CA 1.752 56.639 54.840 0.077 0.000 0.790 529 L CB -1.139 40.969 42.059 0.082 0.000 0.932 529 L HN 0.328 nan 8.230 nan 0.000 0.447 530 K N -0.294 120.105 120.400 -0.002 0.000 2.074 530 K HA -0.167 4.149 4.320 -0.007 0.000 0.209 530 K C -0.597 175.970 176.600 -0.055 0.000 1.048 530 K CA 1.990 58.263 56.287 -0.023 0.000 0.926 530 K CB -0.888 31.609 32.500 -0.004 0.000 0.713 530 K HN 0.299 nan 8.250 nan 0.000 0.444 531 P HA -0.128 nan 4.420 nan 0.000 0.219 531 P C 1.117 178.328 177.300 -0.149 0.000 1.150 531 P CA 0.802 63.849 63.100 -0.087 0.000 0.814 531 P CB 0.103 31.761 31.700 -0.070 0.000 0.787 532 L N -1.097 119.997 121.223 -0.215 0.000 2.156 532 L HA -0.045 4.290 4.340 -0.007 0.000 0.208 532 L C 2.101 178.831 176.870 -0.232 0.000 1.095 532 L CA 1.429 56.078 54.840 -0.318 0.000 0.770 532 L CB -1.042 40.631 42.059 -0.643 0.000 0.914 532 L HN -0.153 nan 8.230 nan 0.000 0.439 533 L N -0.737 120.389 121.223 -0.161 0.000 2.079 533 L HA -0.235 4.100 4.340 -0.007 0.000 0.210 533 L C 2.739 179.540 176.870 -0.116 0.000 1.081 533 L CA 1.519 56.291 54.840 -0.112 0.000 0.752 533 L CB -0.536 41.483 42.059 -0.067 0.000 0.896 533 L HN 0.306 nan 8.230 nan 0.000 0.433 534 R N 0.245 120.675 120.500 -0.116 0.000 2.062 534 R HA -0.177 4.159 4.340 -0.007 0.000 0.229 534 R C 2.333 178.547 176.300 -0.143 0.000 1.128 534 R CA 1.141 57.176 56.100 -0.107 0.000 0.960 534 R CB -0.242 30.005 30.300 -0.089 0.000 0.855 534 R HN 0.156 nan 8.270 nan 0.000 0.432 535 L N 0.880 121.997 121.223 -0.178 0.000 2.013 535 L HA -0.170 4.165 4.340 -0.007 0.000 0.212 535 L C 2.067 178.751 176.870 -0.309 0.000 1.073 535 L CA 1.908 56.614 54.840 -0.224 0.000 0.753 535 L CB -0.344 41.572 42.059 -0.239 0.000 0.890 535 L HN 0.297 nan 8.230 nan 0.000 0.432 536 M N -1.096 118.301 119.600 -0.338 0.000 2.159 536 M HA -0.117 4.359 4.480 -0.007 0.000 0.263 536 M C 2.148 178.263 176.300 -0.307 0.000 1.063 536 M CA 1.593 56.601 55.300 -0.488 0.000 1.110 536 M CB -0.994 31.447 32.600 -0.265 0.000 1.374 536 M HN 0.481 nan 8.290 nan 0.000 0.411 537 G N 0.059 108.761 108.800 -0.164 0.000 2.442 537 G HA2 -0.201 3.755 3.960 -0.007 0.000 0.219 537 G HA3 -0.201 3.755 3.960 -0.007 0.000 0.219 537 G C 1.480 176.322 174.900 -0.097 0.000 1.141 537 G CA 0.775 45.821 45.100 -0.091 0.000 0.763 537 G HN 0.373 nan 8.290 nan 0.000 0.554 538 E N 0.264 120.383 120.200 -0.135 0.000 2.072 538 E HA 0.028 4.374 4.350 -0.007 0.000 0.190 538 E C 2.758 179.285 176.600 -0.123 0.000 0.982 538 E CA 0.233 56.565 56.400 -0.113 0.000 0.803 538 E CB -0.293 29.335 29.700 -0.119 0.000 0.755 538 E HN 0.421 nan 8.360 nan 0.000 0.453 539 L N 0.636 121.723 121.223 -0.227 0.000 2.012 539 L HA -0.225 4.111 4.340 -0.007 0.000 0.210 539 L C 2.628 179.470 176.870 -0.047 0.000 1.073 539 L CA 0.821 55.518 54.840 -0.237 0.000 0.748 539 L CB -0.476 41.189 42.059 -0.657 0.000 0.891 539 L HN 0.155 nan 8.230 nan 0.000 0.431 540 L N 0.059 121.277 121.223 -0.008 0.000 2.027 540 L HA -0.119 4.217 4.340 -0.007 0.000 0.206 540 L C 2.608 179.513 176.870 0.057 0.000 1.074 540 L CA 2.043 56.960 54.840 0.128 0.000 0.745 540 L CB -0.772 41.373 42.059 0.143 0.000 0.898 540 L HN 0.135 nan 8.230 nan 0.000 0.433 541 A N -0.289 122.538 122.820 0.012 0.000 1.933 541 A HA -0.173 4.142 4.320 -0.007 0.000 0.218 541 A C 2.189 179.778 177.584 0.008 0.000 1.175 541 A CA 1.689 53.729 52.037 0.005 0.000 0.628 541 A CB -0.503 18.490 19.000 -0.012 0.000 0.814 541 A HN 0.556 nan 8.150 nan 0.000 0.444 542 R N -1.207 119.296 120.500 0.005 0.000 2.426 542 R HA 0.300 4.635 4.340 -0.007 0.000 0.263 542 R C 0.942 177.258 176.300 0.027 0.000 0.961 542 R CA 0.408 56.513 56.100 0.009 0.000 1.086 542 R CB -0.062 30.236 30.300 -0.003 0.000 1.186 542 R HN 0.600 nan 8.270 nan 0.000 0.537 543 G N 1.840 110.667 108.800 0.045 0.000 2.198 543 G HA2 -0.274 3.682 3.960 -0.007 0.000 0.260 543 G HA3 -0.274 3.682 3.960 -0.007 0.000 0.260 543 G C -0.205 174.743 174.900 0.080 0.000 1.025 543 G CA 0.072 45.207 45.100 0.059 0.000 0.769 543 G HN 0.082 nan 8.290 nan 0.000 0.507 544 K N 0.460 120.924 120.400 0.107 0.000 2.144 544 K HA 0.490 4.805 4.320 -0.007 0.000 0.270 544 K C 0.582 177.316 176.600 0.224 0.000 1.005 544 K CA -0.312 56.053 56.287 0.130 0.000 0.932 544 K CB 0.831 33.385 32.500 0.091 0.000 1.021 544 K HN 0.097 nan 8.250 nan 0.000 0.462 545 T N 3.879 118.543 114.554 0.184 0.000 2.779 545 T HA 0.396 4.742 4.350 -0.007 0.000 0.296 545 T C -0.171 174.707 174.700 0.295 0.000 0.938 545 T CA -0.105 62.104 62.100 0.182 0.000 1.119 545 T CB -0.508 68.445 68.868 0.142 0.000 0.891 545 T HN 0.438 nan 8.240 nan 0.000 0.526 546 F N 0.769 120.739 119.950 0.035 0.000 2.631 546 F HA 0.755 5.278 4.527 -0.008 0.000 0.308 546 F C -0.758 175.029 175.800 -0.023 0.000 1.097 546 F CA -1.344 56.655 58.000 -0.001 0.000 0.952 546 F CB 1.562 40.531 39.000 -0.052 0.000 1.307 546 F HN 0.398 nan 8.300 nan 0.000 0.450 547 E N 1.897 122.063 120.200 -0.057 0.000 2.207 547 E HA 0.813 5.158 4.350 -0.007 0.000 0.270 547 E C -1.585 174.944 176.600 -0.119 0.000 0.927 547 E CA -1.215 55.069 56.400 -0.193 0.000 0.799 547 E CB 2.043 31.681 29.700 -0.104 0.000 1.172 547 E HN 1.061 nan 8.360 nan 0.000 0.404 548 A N 3.826 126.486 122.820 -0.268 0.000 2.486 548 A HA 0.522 4.838 4.320 -0.007 0.000 0.300 548 A C -1.643 175.615 177.584 -0.543 0.000 1.048 548 A CA -0.685 51.237 52.037 -0.192 0.000 0.696 548 A CB 1.272 20.293 19.000 0.036 0.000 1.278 548 A HN 0.714 nan 8.150 nan 0.000 0.405 549 H N 2.084 121.160 119.070 0.009 0.000 2.970 549 H HA 0.400 4.951 4.556 -0.008 0.000 0.315 549 H C -1.513 173.837 175.328 0.037 0.000 0.992 549 H CA -0.339 55.719 56.048 0.016 0.000 1.363 549 H CB 1.344 31.110 29.762 0.006 0.000 1.532 549 H HN 0.443 nan 8.280 nan 0.000 0.514 550 I N 5.833 126.467 120.570 0.107 0.000 2.328 550 I HA 0.141 4.307 4.170 -0.007 0.000 0.287 550 I C 0.160 176.331 176.117 0.090 0.000 1.012 550 I CA -0.390 60.972 61.300 0.102 0.000 1.195 550 I CB 0.660 38.700 38.000 0.067 0.000 1.350 550 I HN 0.384 nan 8.210 nan 0.000 0.464 551 I N 5.458 126.078 120.570 0.084 0.000 2.689 551 I HA 0.736 4.902 4.170 -0.007 0.000 0.299 551 I C -2.949 173.192 176.117 0.040 0.000 1.059 551 I CA -2.665 58.669 61.300 0.057 0.000 1.055 551 I CB 1.671 39.699 38.000 0.048 0.000 1.243 551 I HN 0.160 nan 8.210 nan 0.000 0.425 552 P HA 0.226 nan 4.420 nan 0.000 0.274 552 P C -0.950 176.358 177.300 0.013 0.000 1.246 552 P CA 0.257 63.370 63.100 0.020 0.000 0.795 552 P CB 0.263 31.973 31.700 0.018 0.000 1.006 553 D N -1.685 118.720 120.400 0.007 0.000 2.746 553 D HA -0.102 4.534 4.640 -0.007 0.000 0.241 553 D C -0.057 176.246 176.300 0.005 0.000 1.140 553 D CA 1.512 55.514 54.000 0.004 0.000 0.707 553 D CB -1.297 39.506 40.800 0.005 0.000 1.034 553 D HN 0.555 nan 8.370 nan 0.000 0.423 554 A N -1.222 121.599 122.820 0.002 0.000 2.583 554 A HA 0.974 5.290 4.320 -0.007 0.000 0.299 554 A C 1.115 178.703 177.584 0.007 0.000 1.258 554 A CA 0.478 52.521 52.037 0.010 0.000 0.682 554 A CB 1.501 20.511 19.000 0.016 0.000 1.332 554 A HN 0.790 nan 8.150 nan 0.000 0.485 555 G N -2.285 106.537 108.800 0.036 0.000 4.332 555 G HA2 0.217 4.173 3.960 -0.007 0.000 0.198 555 G HA3 0.217 4.173 3.960 -0.007 0.000 0.198 555 G C 0.387 175.378 174.900 0.152 0.000 1.460 555 G CA 1.023 46.156 45.100 0.056 0.000 0.900 555 G HN 1.329 nan 8.290 nan 0.000 0.325 556 H N -0.487 118.607 119.070 0.041 0.000 5.201 556 H HA 0.578 5.130 4.556 -0.007 0.000 0.199 556 H C 0.947 176.283 175.328 0.015 0.000 1.298 556 H CA 1.186 57.221 56.048 -0.021 0.000 0.191 556 H CB 0.230 29.953 29.762 -0.066 0.000 1.615 556 H HN 1.284 nan 8.280 nan 0.000 0.331 557 A N 1.935 124.998 122.820 0.406 0.000 1.661 557 A HA -0.119 4.196 4.320 -0.007 0.000 0.334 557 A C 0.555 178.214 177.584 0.125 0.000 0.971 557 A CA 1.423 53.564 52.037 0.174 0.000 1.497 557 A CB -2.304 16.730 19.000 0.057 0.000 0.699 557 A HN 0.449 nan 8.150 nan 0.000 0.197 558 I N -0.147 120.497 120.570 0.124 0.000 2.447 558 I HA 0.602 4.768 4.170 -0.007 0.000 0.287 558 I C 0.036 176.170 176.117 0.028 0.000 1.023 558 I CA -1.039 60.290 61.300 0.050 0.000 1.083 558 I CB 1.925 39.929 38.000 0.007 0.000 1.245 558 I HN 0.319 nan 8.210 nan 0.000 0.434 559 N N 3.615 122.328 118.700 0.023 0.000 2.360 559 N HA 0.058 4.794 4.740 -0.007 0.000 0.211 559 N C 0.598 176.118 175.510 0.017 0.000 1.147 559 N CA 0.553 53.622 53.050 0.031 0.000 0.866 559 N CB 0.661 39.180 38.487 0.053 0.000 1.206 559 N HN 0.824 nan 8.380 nan 0.000 0.478 560 T N -1.369 113.188 114.554 0.004 0.000 2.912 560 T HA 0.333 4.678 4.350 -0.007 0.000 0.280 560 T C 1.303 175.987 174.700 -0.028 0.000 0.989 560 T CA -0.554 61.543 62.100 -0.005 0.000 0.995 560 T CB 1.768 70.635 68.868 -0.002 0.000 1.077 560 T HN -0.232 nan 8.240 nan 0.000 0.531 561 M N 0.448 120.031 119.600 -0.027 0.000 2.175 561 M HA 0.027 4.503 4.480 -0.007 0.000 0.264 561 M C 2.099 178.370 176.300 -0.049 0.000 1.063 561 M CA 1.532 56.806 55.300 -0.042 0.000 1.119 561 M CB -1.090 31.493 32.600 -0.027 0.000 1.377 561 M HN 0.774 nan 8.290 nan 0.000 0.415 562 E N 0.237 120.417 120.200 -0.033 0.000 2.070 562 E HA -0.240 4.106 4.350 -0.007 0.000 0.197 562 E C 1.684 178.260 176.600 -0.040 0.000 1.004 562 E CA 1.745 58.126 56.400 -0.031 0.000 0.805 562 E CB -0.462 29.228 29.700 -0.017 0.000 0.744 562 E HN 0.594 nan 8.360 nan 0.000 0.451 563 D N 0.523 120.901 120.400 -0.036 0.000 2.097 563 D HA -0.141 4.494 4.640 -0.007 0.000 0.195 563 D C 1.909 178.164 176.300 -0.076 0.000 0.989 563 D CA 1.389 55.367 54.000 -0.037 0.000 0.827 563 D CB -0.357 40.430 40.800 -0.021 0.000 0.966 563 D HN 0.159 nan 8.370 nan 0.000 0.456 564 A N 0.773 123.527 122.820 -0.111 0.000 1.902 564 A HA -0.137 4.178 4.320 -0.007 0.000 0.217 564 A C 2.570 180.045 177.584 -0.182 0.000 1.181 564 A CA 1.235 53.163 52.037 -0.182 0.000 0.623 564 A CB -0.763 18.126 19.000 -0.186 0.000 0.818 564 A HN 0.150 nan 8.150 nan 0.000 0.443 565 V N -0.041 119.789 119.914 -0.140 0.000 2.343 565 V HA -0.277 3.839 4.120 -0.007 0.000 0.247 565 V C 2.469 178.477 176.094 -0.144 0.000 1.051 565 V CA 2.423 64.633 62.300 -0.150 0.000 1.036 565 V CB -0.642 31.123 31.823 -0.096 0.000 0.654 565 V HN 0.559 nan 8.190 nan 0.000 0.451 566 K N -0.054 120.289 120.400 -0.094 0.000 2.025 566 K HA -0.044 4.271 4.320 -0.007 0.000 0.207 566 K C 1.901 178.465 176.600 -0.061 0.000 1.049 566 K CA 1.946 58.195 56.287 -0.063 0.000 0.933 566 K CB -0.080 32.406 32.500 -0.024 0.000 0.714 566 K HN 0.603 nan 8.250 nan 0.000 0.438 567 I N -2.183 118.357 120.570 -0.050 0.000 4.403 567 I HA 0.101 4.267 4.170 -0.007 0.000 0.331 567 I C 1.132 177.279 176.117 0.051 0.000 1.327 567 I CA 0.244 61.566 61.300 0.036 0.000 1.175 567 I CB 0.340 38.420 38.000 0.133 0.000 1.165 567 I HN 0.003 nan 8.210 nan 0.000 0.413 568 L N 1.017 122.163 121.223 -0.128 0.000 2.347 568 L HA 0.285 4.620 4.340 -0.007 0.000 0.196 568 L C 1.995 178.723 176.870 -0.237 0.000 1.072 568 L CA 1.268 55.974 54.840 -0.224 0.000 0.817 568 L CB -0.754 40.980 42.059 -0.542 0.000 1.029 568 L HN 0.123 nan 8.230 nan 0.000 0.478 569 L N 0.878 121.896 121.223 -0.341 0.000 2.034 569 L HA -0.176 4.159 4.340 -0.007 0.000 0.217 569 L C -0.551 175.967 176.870 -0.586 0.000 1.077 569 L CA 2.560 57.057 54.840 -0.571 0.000 0.769 569 L CB -1.904 39.758 42.059 -0.661 0.000 0.890 569 L HN 0.219 nan 8.230 nan 0.000 0.435 570 P HA -0.106 nan 4.420 nan 0.000 0.218 570 P C 1.387 178.661 177.300 -0.043 0.000 1.149 570 P CA 1.735 64.650 63.100 -0.308 0.000 0.817 570 P CB -0.091 31.266 31.700 -0.572 0.000 0.785 571 A N -0.733 122.070 122.820 -0.028 0.000 1.930 571 A HA -0.078 4.238 4.320 -0.007 0.000 0.215 571 A C 2.265 179.901 177.584 0.087 0.000 1.176 571 A CA 1.341 53.420 52.037 0.071 0.000 0.632 571 A CB -1.495 17.557 19.000 0.086 0.000 0.819 571 A HN 0.014 nan 8.150 nan 0.000 0.445 572 V N -0.724 119.196 119.914 0.010 0.000 2.358 572 V HA -0.183 3.932 4.120 -0.007 0.000 0.246 572 V C 2.326 178.554 176.094 0.223 0.000 1.047 572 V CA 1.628 63.952 62.300 0.040 0.000 1.035 572 V CB -0.992 30.834 31.823 0.004 0.000 0.658 572 V HN 0.498 nan 8.190 nan 0.000 0.452 573 F N -0.042 119.951 119.950 0.073 0.000 2.069 573 F HA -0.192 4.330 4.527 -0.008 0.000 0.298 573 F C 2.300 178.184 175.800 0.141 0.000 1.113 573 F CA 1.371 59.445 58.000 0.123 0.000 1.214 573 F CB -1.424 37.720 39.000 0.241 0.000 0.978 573 F HN 0.228 nan 8.300 nan 0.000 0.474 574 F N 0.531 120.626 119.950 0.243 0.000 2.091 574 F HA -0.234 4.290 4.527 -0.005 0.000 0.299 574 F C 2.172 177.997 175.800 0.042 0.000 1.103 574 F CA 1.653 59.736 58.000 0.138 0.000 1.228 574 F CB -0.678 38.387 39.000 0.108 0.000 0.984 574 F HN -0.108 nan 8.300 nan 0.000 0.477 575 L N -0.296 120.915 121.223 -0.020 0.000 2.056 575 L HA -0.139 4.196 4.340 -0.007 0.000 0.207 575 L C 2.819 179.615 176.870 -0.124 0.000 1.078 575 L CA 1.041 55.679 54.840 -0.335 0.000 0.749 575 L CB -1.172 40.533 42.059 -0.590 0.000 0.901 575 L HN 0.248 nan 8.230 nan 0.000 0.433 576 A N -0.707 122.156 122.820 0.071 0.000 1.948 576 A HA -0.251 4.065 4.320 -0.007 0.000 0.220 576 A C 2.376 179.910 177.584 -0.083 0.000 1.177 576 A CA 2.557 54.633 52.037 0.064 0.000 0.636 576 A CB -0.910 18.084 19.000 -0.010 0.000 0.815 576 A HN 0.361 nan 8.150 nan 0.000 0.449 577 T N -0.688 113.795 114.554 -0.120 0.000 2.857 577 T HA -0.089 4.257 4.350 -0.007 0.000 0.266 577 T C 2.114 176.728 174.700 -0.143 0.000 1.048 577 T CA 1.372 63.395 62.100 -0.128 0.000 1.139 577 T CB -0.190 68.642 68.868 -0.060 0.000 0.874 577 T HN 0.462 nan 8.240 nan 0.000 0.455 578 Q N 0.736 120.392 119.800 -0.240 0.000 2.167 578 Q HA 0.002 4.337 4.340 -0.007 0.000 0.202 578 Q C 2.327 178.338 176.000 0.019 0.000 0.970 578 Q CA 0.951 56.661 55.803 -0.154 0.000 0.855 578 Q CB -0.336 28.266 28.738 -0.227 0.000 0.911 578 Q HN 0.451 nan 8.270 nan 0.000 0.438 579 R N 0.771 121.279 120.500 0.014 0.000 2.159 579 R HA -0.142 4.194 4.340 -0.007 0.000 0.237 579 R C 1.385 177.697 176.300 0.020 0.000 1.131 579 R CA 1.042 57.191 56.100 0.083 0.000 0.982 579 R CB 0.315 30.610 30.300 -0.008 0.000 0.868 579 R HN 0.106 nan 8.270 nan 0.000 0.453 580 E N -0.266 119.920 120.200 -0.024 0.000 2.250 580 E HA -0.020 4.326 4.350 -0.007 0.000 0.192 580 E C 1.273 177.866 176.600 -0.011 0.000 0.986 580 E CA 0.820 57.202 56.400 -0.030 0.000 0.849 580 E CB -0.327 29.341 29.700 -0.053 0.000 0.797 580 E HN 0.364 nan 8.360 nan 0.000 0.482 581 R N 0.000 120.498 120.500 -0.004 0.000 2.786 581 R HA 0.000 4.336 4.340 -0.007 0.000 0.208 581 R CA 0.000 56.102 56.100 0.003 0.000 0.921 581 R CB 0.000 30.300 30.300 -0.001 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535