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 3mzs_1_C DATA FIRST_RESID 6 DATA SEQUENCE TPRPYSEIPS PGDNGWLNLY HFWREKGSQR IHFRHIENFQ KYGPIYREKL DATA SEQUENCE GNLESVYIIH PEDVAHLFKF EGSYPERYDI PPWLAYHRYY QKPIGVLFKK DATA SEQUENCE SGTWKKDRVV LNTEVMAPEA IKNFIPLLNP VSQDFVSLLH KRIKQQGSGK DATA SEQUENCE FVGDIKEDLF HFAFESITNV MFGERLGMLE ETVNPEAQKF IDAVYKMFHT DATA SEQUENCE SVPLLNVPPE LYRLFRTKTW RDHVAAWDTI FNKAEKYTEI FYQDLRRKTE DATA SEQUENCE FRNYPGILYC LLKSEKMLLE DVKANITEML AGGVNTTSMT LQWHLYEMAR DATA SEQUENCE SLNVQEMLRE EVLNARRQAE GDISKMLQMV PLLKASIKET LRLHPISVTL DATA SEQUENCE QRYPESDLVL QDYLIPAKTL VQVAIYAMGR DPAFFSSPDK FDPTRWLSKD DATA SEQUENCE KDLIHFRNLG FGWGVRQCVG RRIAELEMTL FLIHILENFK VEMQHIGDVD DATA SEQUENCE TIFNLILTPD KPIFLVFRPF 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 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.675 174.700 -0.041 0.000 1.109 6 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 6 T CB 0.000 68.857 68.868 -0.018 0.000 0.612 7 P HA 0.492 nan 4.420 nan 0.000 0.271 7 P C -0.329 176.919 177.300 -0.088 0.000 1.218 7 P CA -0.607 62.457 63.100 -0.059 0.000 0.780 7 P CB 0.395 32.081 31.700 -0.025 0.000 0.901 8 R N 2.926 123.318 120.500 -0.180 0.000 2.594 8 R HA 0.263 4.603 4.340 0.001 0.000 0.272 8 R C -1.950 174.309 176.300 -0.068 0.000 1.074 8 R CA -1.351 54.628 56.100 -0.202 0.000 1.105 8 R CB -0.334 29.692 30.300 -0.455 0.000 1.008 8 R HN 0.451 nan 8.270 nan 0.000 0.472 9 P HA -0.086 nan 4.420 nan 0.000 0.274 9 P C -0.168 177.240 177.300 0.179 0.000 1.231 9 P CA -0.155 62.989 63.100 0.074 0.000 0.790 9 P CB 0.479 32.203 31.700 0.040 0.000 0.951 10 Y N 2.842 123.174 120.300 0.052 0.000 2.151 10 Y HA -0.269 4.281 4.550 0.001 0.000 0.284 10 Y C 2.174 178.096 175.900 0.037 0.000 1.166 10 Y CA 2.339 60.465 58.100 0.044 0.000 1.163 10 Y CB -1.452 36.996 38.460 -0.019 0.000 0.974 10 Y HN 0.286 nan 8.280 nan 0.000 0.511 11 S N -0.130 115.478 115.700 -0.154 0.000 2.461 11 S HA -0.269 4.201 4.470 0.001 0.000 0.246 11 S C 1.766 176.289 174.600 -0.128 0.000 1.007 11 S CA 1.540 59.599 58.200 -0.235 0.000 0.976 11 S CB -0.391 62.746 63.200 -0.105 0.000 0.763 11 S HN 0.679 nan 8.310 nan 0.000 0.508 12 E N 0.191 120.401 120.200 0.016 0.000 2.474 12 E HA 0.162 4.512 4.350 0.001 0.000 0.194 12 E C -0.083 176.662 176.600 0.242 0.000 1.041 12 E CA -0.251 56.220 56.400 0.118 0.000 0.874 12 E CB 0.151 29.921 29.700 0.117 0.000 0.914 12 E HN 0.452 nan 8.360 nan 0.000 0.498 13 I N 2.881 123.513 120.570 0.103 0.000 2.752 13 I HA -0.090 4.080 4.170 0.001 0.000 0.286 13 I C -1.522 174.533 176.117 -0.103 0.000 1.180 13 I CA -1.060 60.139 61.300 -0.169 0.000 1.404 13 I CB 0.419 38.235 38.000 -0.306 0.000 1.389 13 I HN 0.045 nan 8.210 nan 0.000 0.549 14 P HA -0.375 nan 4.420 nan 0.000 0.230 14 P C 0.525 177.775 177.300 -0.085 0.000 1.124 14 P CA 1.796 64.929 63.100 0.055 0.000 0.985 14 P CB -0.011 31.796 31.700 0.178 0.000 0.774 15 S N -2.804 112.681 115.700 -0.358 0.000 3.650 15 S HA -0.139 4.332 4.470 0.001 0.000 0.800 15 S C -2.097 172.175 174.600 -0.546 0.000 1.435 15 S CA 0.664 58.589 58.200 -0.457 0.000 1.244 15 S CB -0.852 62.207 63.200 -0.235 0.000 0.437 15 S HN 0.123 nan 8.310 nan 0.000 0.571 16 P HA 0.407 nan 4.420 nan 0.000 0.295 16 P C 0.312 177.597 177.300 -0.025 0.000 1.274 16 P CA 1.130 64.171 63.100 -0.098 0.000 0.943 16 P CB 0.868 32.504 31.700 -0.108 0.000 1.462 17 G N 0.152 108.908 108.800 -0.073 0.000 2.358 17 G HA2 0.052 4.012 3.960 0.001 0.000 0.301 17 G HA3 0.052 4.012 3.960 0.001 0.000 0.301 17 G C -1.408 173.444 174.900 -0.081 0.000 1.539 17 G CA -0.391 44.682 45.100 -0.045 0.000 0.893 17 G HN -0.149 nan 8.290 nan 0.000 0.636 18 D N -0.588 119.769 120.400 -0.070 0.000 2.369 18 D HA 0.073 4.713 4.640 0.001 0.000 0.211 18 D C 0.671 176.920 176.300 -0.084 0.000 1.077 18 D CA -0.017 53.927 54.000 -0.092 0.000 0.842 18 D CB 0.103 40.852 40.800 -0.085 0.000 0.947 18 D HN 0.360 nan 8.370 nan 0.000 0.509 19 N N -0.695 117.970 118.700 -0.060 0.000 2.414 19 N HA 0.221 4.962 4.740 0.001 0.000 0.256 19 N C 1.121 176.568 175.510 -0.104 0.000 1.029 19 N CA -0.326 52.698 53.050 -0.044 0.000 0.948 19 N CB 1.156 39.650 38.487 0.012 0.000 1.102 19 N HN 0.124 nan 8.380 nan 0.000 0.496 20 G N 2.809 111.467 108.800 -0.237 0.000 2.496 20 G HA2 -0.214 3.747 3.960 0.001 0.000 0.214 20 G HA3 -0.214 3.747 3.960 0.001 0.000 0.214 20 G C 0.826 175.528 174.900 -0.329 0.000 1.234 20 G CA 0.187 45.039 45.100 -0.415 0.000 0.807 20 G HN 0.814 nan 8.290 nan 0.000 0.543 21 W N 0.671 121.934 121.300 -0.062 0.000 2.255 21 W HA -0.207 4.453 4.660 0.001 0.000 0.318 21 W C 2.419 178.921 176.519 -0.029 0.000 1.277 21 W CA 0.616 57.938 57.345 -0.037 0.000 1.286 21 W CB -0.598 28.855 29.460 -0.012 0.000 1.132 21 W HN 0.151 nan 8.180 nan 0.000 0.504 22 L N 0.623 121.940 121.223 0.156 0.000 2.046 22 L HA -0.230 4.110 4.340 0.001 0.000 0.208 22 L C 2.150 179.042 176.870 0.037 0.000 1.077 22 L CA 1.667 56.535 54.840 0.046 0.000 0.747 22 L CB -0.526 41.544 42.059 0.018 0.000 0.896 22 L HN -0.001 nan 8.230 nan 0.000 0.432 23 N N -0.393 118.320 118.700 0.022 0.000 2.354 23 N HA -0.106 4.634 4.740 0.001 0.000 0.179 23 N C 1.830 177.340 175.510 0.000 0.000 1.021 23 N CA 0.732 53.801 53.050 0.032 0.000 0.887 23 N CB 0.007 38.453 38.487 -0.068 0.000 0.974 23 N HN 0.369 nan 8.380 nan 0.000 0.437 24 L N -0.126 121.047 121.223 -0.083 0.000 1.988 24 L HA -0.201 4.139 4.340 0.001 0.000 0.207 24 L C 2.295 179.142 176.870 -0.037 0.000 1.071 24 L CA 1.298 56.009 54.840 -0.215 0.000 0.744 24 L CB -0.522 41.369 42.059 -0.280 0.000 0.893 24 L HN 0.121 nan 8.230 nan 0.000 0.433 25 Y N 0.536 120.863 120.300 0.046 0.000 2.096 25 Y HA -0.389 4.162 4.550 0.001 0.000 0.278 25 Y C 2.357 178.355 175.900 0.165 0.000 1.192 25 Y CA 2.302 60.484 58.100 0.137 0.000 1.143 25 Y CB -0.590 37.875 38.460 0.009 0.000 0.963 25 Y HN 0.309 nan 8.280 nan 0.000 0.505 26 H N -1.892 117.251 119.070 0.122 0.000 2.556 26 H HA -0.022 4.534 4.556 0.001 0.000 0.268 26 H C 1.442 176.773 175.328 0.005 0.000 0.996 26 H CA 0.490 56.551 56.048 0.022 0.000 1.157 26 H CB -0.043 29.793 29.762 0.123 0.000 1.355 26 H HN 0.513 nan 8.280 nan 0.000 0.597 27 F N -0.496 119.423 119.950 -0.052 0.000 2.243 27 F HA -0.081 4.446 4.527 0.000 0.000 0.287 27 F C 1.560 177.335 175.800 -0.041 0.000 1.067 27 F CA 0.232 58.156 58.000 -0.125 0.000 1.304 27 F CB -0.020 38.809 39.000 -0.284 0.000 1.087 27 F HN 0.082 nan 8.300 nan 0.000 0.513 28 W N 1.588 122.894 121.300 0.010 0.000 2.358 28 W HA -0.093 4.567 4.660 0.000 0.000 0.303 28 W C 2.684 179.076 176.519 -0.213 0.000 1.208 28 W CA 1.421 58.693 57.345 -0.122 0.000 1.274 28 W CB -1.256 28.200 29.460 -0.006 0.000 1.138 28 W HN 0.118 nan 8.180 nan 0.000 0.515 29 R N 1.175 121.635 120.500 -0.066 0.000 2.083 29 R HA -0.191 4.149 4.340 0.001 0.000 0.237 29 R C 1.734 177.976 176.300 -0.096 0.000 1.137 29 R CA 2.191 58.184 56.100 -0.178 0.000 0.951 29 R CB -0.475 29.593 30.300 -0.386 0.000 0.851 29 R HN 0.292 nan 8.270 nan 0.000 0.434 30 E N 1.022 121.163 120.200 -0.099 0.000 2.403 30 E HA 0.003 4.353 4.350 0.001 0.000 0.187 30 E C -0.605 175.918 176.600 -0.127 0.000 1.073 30 E CA -0.164 56.174 56.400 -0.102 0.000 0.888 30 E CB 0.263 29.902 29.700 -0.101 0.000 1.035 30 E HN -0.018 nan 8.360 nan 0.000 0.471 31 K N 0.211 120.534 120.400 -0.128 0.000 5.393 31 K HA -0.140 4.180 4.320 0.001 0.000 0.381 31 K C 0.424 176.888 176.600 -0.227 0.000 1.015 31 K CA 0.769 56.982 56.287 -0.123 0.000 1.190 31 K CB -1.732 30.732 32.500 -0.061 0.000 1.752 31 K HN 0.527 nan 8.250 nan 0.000 0.409 32 G N 0.121 108.629 108.800 -0.487 0.000 2.727 32 G HA2 -0.061 3.899 3.960 0.001 0.000 0.203 32 G HA3 -0.061 3.899 3.960 0.001 0.000 0.203 32 G C 1.280 175.866 174.900 -0.523 0.000 1.117 32 G CA 0.498 45.145 45.100 -0.754 0.000 0.817 32 G HN 0.386 nan 8.290 nan 0.000 0.553 33 S N 0.395 115.839 115.700 -0.427 0.000 2.575 33 S HA -0.288 4.182 4.470 0.001 0.000 0.304 33 S C 1.789 176.543 174.600 0.257 0.000 1.237 33 S CA 2.117 60.384 58.200 0.112 0.000 1.122 33 S CB -0.197 63.129 63.200 0.210 0.000 1.073 33 S HN 0.597 nan 8.310 nan 0.000 0.450 34 Q N -1.704 118.211 119.800 0.192 0.000 2.086 34 Q HA 0.240 4.581 4.340 0.001 0.000 0.220 34 Q C 0.304 176.500 176.000 0.326 0.000 0.792 34 Q CA -0.111 55.913 55.803 0.369 0.000 1.062 34 Q CB 0.857 29.746 28.738 0.253 0.000 1.198 34 Q HN 0.416 nan 8.270 nan 0.000 0.466 35 R N -0.175 120.396 120.500 0.119 0.000 2.600 35 R HA 0.316 4.656 4.340 0.001 0.000 0.392 35 R C 1.470 177.631 176.300 -0.233 0.000 1.032 35 R CA -0.140 55.943 56.100 -0.029 0.000 1.139 35 R CB 0.560 30.891 30.300 0.051 0.000 1.400 35 R HN 0.129 nan 8.270 nan 0.000 0.566 36 I N 2.626 123.088 120.570 -0.179 0.000 2.121 36 I HA -0.450 3.721 4.170 0.001 0.000 0.243 36 I C 2.688 178.484 176.117 -0.535 0.000 1.047 36 I CA 2.046 63.118 61.300 -0.380 0.000 1.308 36 I CB -0.226 37.383 38.000 -0.652 0.000 1.015 36 I HN 0.433 nan 8.210 nan 0.000 0.410 37 H N 0.037 118.817 119.070 -0.484 0.000 2.290 37 H HA -0.218 4.338 4.556 0.001 0.000 0.298 37 H C 2.143 177.252 175.328 -0.366 0.000 1.087 37 H CA 1.637 57.404 56.048 -0.470 0.000 1.291 37 H CB -1.619 27.569 29.762 -0.957 0.000 1.369 37 H HN 0.270 nan 8.280 nan 0.000 0.492 38 F N 1.658 121.177 119.950 -0.718 0.000 2.250 38 F HA -0.049 4.479 4.527 0.000 0.000 0.301 38 F C 2.813 178.483 175.800 -0.216 0.000 1.077 38 F CA 1.104 58.872 58.000 -0.387 0.000 1.348 38 F CB -0.374 38.371 39.000 -0.425 0.000 1.040 38 F HN 0.121 nan 8.300 nan 0.000 0.509 39 R N -1.015 119.404 120.500 -0.135 0.000 2.093 39 R HA -0.067 4.273 4.340 0.001 0.000 0.224 39 R C 1.897 178.132 176.300 -0.108 0.000 1.101 39 R CA 1.215 57.223 56.100 -0.154 0.000 0.979 39 R CB -0.701 29.463 30.300 -0.226 0.000 0.877 39 R HN 0.395 nan 8.270 nan 0.000 0.441 40 H N 0.623 119.724 119.070 0.052 0.000 2.353 40 H HA -0.128 4.428 4.556 0.000 0.000 0.298 40 H C 2.046 177.604 175.328 0.383 0.000 1.103 40 H CA 1.609 57.793 56.048 0.227 0.000 1.293 40 H CB -0.092 29.875 29.762 0.343 0.000 1.372 40 H HN 0.146 nan 8.280 nan 0.000 0.501 41 I N 0.495 121.296 120.570 0.386 0.000 2.353 41 I HA -0.169 4.002 4.170 0.001 0.000 0.248 41 I C 1.958 178.213 176.117 0.230 0.000 1.119 41 I CA 1.257 62.769 61.300 0.352 0.000 1.417 41 I CB -0.292 37.886 38.000 0.297 0.000 1.078 41 I HN 0.358 nan 8.210 nan 0.000 0.421 42 E N 0.936 121.202 120.200 0.110 0.000 2.076 42 E HA -0.127 4.224 4.350 0.001 0.000 0.190 42 E C 1.902 178.464 176.600 -0.063 0.000 0.979 42 E CA 0.617 57.023 56.400 0.009 0.000 0.807 42 E CB 0.013 29.691 29.700 -0.036 0.000 0.761 42 E HN 0.387 nan 8.360 nan 0.000 0.454 43 N N 0.323 118.931 118.700 -0.152 0.000 2.205 43 N HA -0.149 4.592 4.740 0.001 0.000 0.186 43 N C 1.490 176.758 175.510 -0.403 0.000 1.015 43 N CA 1.070 53.859 53.050 -0.434 0.000 0.862 43 N CB -0.193 37.707 38.487 -0.978 0.000 0.986 43 N HN 0.123 nan 8.380 nan 0.000 0.429 44 F N 1.108 121.090 119.950 0.052 0.000 2.234 44 F HA 0.013 4.541 4.527 0.001 0.000 0.296 44 F C 2.642 178.500 175.800 0.097 0.000 1.089 44 F CA 0.646 58.763 58.000 0.195 0.000 1.343 44 F CB -0.114 39.037 39.000 0.252 0.000 1.040 44 F HN 0.059 nan 8.300 nan 0.000 0.498 45 Q N 0.432 120.339 119.800 0.179 0.000 2.230 45 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 45 Q C 2.172 178.156 176.000 -0.025 0.000 0.963 45 Q CA 1.101 56.950 55.803 0.077 0.000 0.866 45 Q CB 0.112 28.875 28.738 0.041 0.000 0.931 45 Q HN 0.342 nan 8.270 nan 0.000 0.452 46 K N -0.725 119.600 120.400 -0.126 0.000 2.121 46 K HA -0.048 4.273 4.320 0.001 0.000 0.203 46 K C 0.953 177.306 176.600 -0.411 0.000 1.041 46 K CA 0.581 56.664 56.287 -0.339 0.000 0.969 46 K CB 0.178 32.338 32.500 -0.568 0.000 0.799 46 K HN 0.177 nan 8.250 nan 0.000 0.456 47 Y N 0.774 120.997 120.300 -0.129 0.000 2.490 47 Y HA 0.186 4.737 4.550 0.000 0.000 0.281 47 Y C 1.150 177.071 175.900 0.036 0.000 1.174 47 Y CA 0.296 58.352 58.100 -0.074 0.000 1.295 47 Y CB 0.208 38.581 38.460 -0.145 0.000 1.062 47 Y HN 0.376 nan 8.280 nan 0.000 0.522 48 G N 1.550 110.457 108.800 0.178 0.000 2.562 48 G HA2 -0.285 3.676 3.960 0.001 0.000 0.250 48 G HA3 -0.285 3.676 3.960 0.001 0.000 0.250 48 G C -1.656 173.484 174.900 0.399 0.000 1.269 48 G CA -0.154 45.087 45.100 0.235 0.000 0.919 48 G HN 0.171 nan 8.290 nan 0.000 0.574 49 P HA 0.202 nan 4.420 nan 0.000 0.234 49 P C 0.645 178.261 177.300 0.528 0.000 1.167 49 P CA 1.457 64.851 63.100 0.489 0.000 0.763 49 P CB 0.268 32.094 31.700 0.210 0.000 0.835 50 I N -0.806 119.961 120.570 0.329 0.000 2.753 50 I HA 0.404 4.574 4.170 0.001 0.000 0.291 50 I C -1.905 174.215 176.117 0.006 0.000 1.425 50 I CA -1.316 60.051 61.300 0.111 0.000 1.039 50 I CB 1.733 39.695 38.000 -0.063 0.000 1.349 50 I HN -0.175 nan 8.210 nan 0.000 0.430 51 Y N 5.416 125.593 120.300 -0.206 0.000 2.689 51 Y HA 0.726 5.276 4.550 0.000 0.000 0.333 51 Y C -1.735 174.035 175.900 -0.218 0.000 1.208 51 Y CA -1.205 56.716 58.100 -0.299 0.000 1.055 51 Y CB 0.937 39.128 38.460 -0.448 0.000 1.304 51 Y HN 0.709 nan 8.280 nan 0.000 0.455 52 R N 1.262 121.690 120.500 -0.120 0.000 2.744 52 R HA 0.764 5.104 4.340 0.001 0.000 0.279 52 R C -1.739 174.547 176.300 -0.024 0.000 0.977 52 R CA -0.811 55.233 56.100 -0.093 0.000 0.906 52 R CB 2.791 33.023 30.300 -0.113 0.000 1.197 52 R HN 0.913 nan 8.270 nan 0.000 0.463 53 E N 2.197 122.409 120.200 0.019 0.000 2.263 53 E HA 0.236 4.586 4.350 0.001 0.000 0.268 53 E C -1.548 174.987 176.600 -0.108 0.000 0.884 53 E CA -0.795 55.573 56.400 -0.053 0.000 0.766 53 E CB 2.150 31.828 29.700 -0.036 0.000 1.196 53 E HN 0.515 nan 8.360 nan 0.000 0.416 54 K N 5.095 125.394 120.400 -0.169 0.000 2.185 54 K HA 0.457 4.778 4.320 0.001 0.000 0.269 54 K C -1.139 175.286 176.600 -0.292 0.000 0.987 54 K CA -0.537 55.617 56.287 -0.221 0.000 0.865 54 K CB 0.728 33.098 32.500 -0.216 0.000 1.090 54 K HN 0.508 nan 8.250 nan 0.000 0.450 55 L N 4.048 125.053 121.223 -0.364 0.000 2.404 55 L HA 0.341 4.681 4.340 0.001 0.000 0.272 55 L C 0.640 177.194 176.870 -0.527 0.000 0.980 55 L CA -0.504 54.054 54.840 -0.469 0.000 0.836 55 L CB 1.579 43.297 42.059 -0.569 0.000 1.238 55 L HN 1.088 nan 8.230 nan 0.000 0.408 56 G N 3.655 112.025 108.800 -0.716 0.000 2.583 56 G HA2 -0.368 3.592 3.960 0.001 0.000 0.292 56 G HA3 -0.368 3.592 3.960 0.001 0.000 0.292 56 G C 0.344 174.640 174.900 -1.006 0.000 1.203 56 G CA 0.652 45.046 45.100 -1.177 0.000 0.987 56 G HN 0.736 nan 8.290 nan 0.000 0.554 57 N N 0.843 119.159 118.700 -0.640 0.000 2.268 57 N HA 0.316 5.056 4.740 0.001 0.000 0.204 57 N C 0.221 175.584 175.510 -0.245 0.000 1.124 57 N CA 0.177 53.003 53.050 -0.373 0.000 0.838 57 N CB 0.283 38.651 38.487 -0.199 0.000 0.994 57 N HN 0.492 nan 8.380 nan 0.000 0.489 58 L N 0.839 121.902 121.223 -0.268 0.000 2.272 58 L HA 0.364 4.704 4.340 0.001 0.000 0.284 58 L C 0.261 176.996 176.870 -0.225 0.000 1.045 58 L CA -0.466 54.252 54.840 -0.202 0.000 0.842 58 L CB 0.955 42.904 42.059 -0.183 0.000 1.224 58 L HN 0.085 nan 8.230 nan 0.000 0.430 59 E N 2.352 122.441 120.200 -0.185 0.000 2.248 59 E HA 0.573 4.924 4.350 0.001 0.000 0.272 59 E C -0.893 175.583 176.600 -0.207 0.000 1.008 59 E CA -0.319 55.983 56.400 -0.164 0.000 0.856 59 E CB 1.836 31.477 29.700 -0.098 0.000 1.120 59 E HN 0.454 nan 8.360 nan 0.000 0.397 60 S N 2.182 117.759 115.700 -0.205 0.000 2.550 60 S HA 0.440 4.911 4.470 0.001 0.000 0.270 60 S C -1.578 172.808 174.600 -0.358 0.000 1.145 60 S CA -0.778 57.204 58.200 -0.364 0.000 0.852 60 S CB 1.398 64.280 63.200 -0.530 0.000 1.119 60 S HN 0.287 nan 8.310 nan 0.000 0.465 61 V N 3.740 123.372 119.914 -0.469 0.000 2.532 61 V HA 0.523 4.643 4.120 0.001 0.000 0.295 61 V C -1.293 174.417 176.094 -0.640 0.000 1.041 61 V CA -0.410 61.641 62.300 -0.414 0.000 0.926 61 V CB 1.045 32.686 31.823 -0.303 0.000 0.992 61 V HN 0.870 nan 8.190 nan 0.000 0.457 62 Y N 4.762 124.734 120.300 -0.546 0.000 2.328 62 Y HA 0.676 5.226 4.550 0.000 0.000 0.336 62 Y C 0.333 176.134 175.900 -0.166 0.000 0.960 62 Y CA -0.616 57.197 58.100 -0.478 0.000 1.134 62 Y CB 1.712 39.573 38.460 -0.999 0.000 1.166 62 Y HN 0.601 nan 8.280 nan 0.000 0.464 63 I N 1.095 121.756 120.570 0.152 0.000 3.067 63 I HA 0.589 4.759 4.170 0.001 0.000 0.312 63 I C -0.559 175.625 176.117 0.112 0.000 1.073 63 I CA -0.810 60.619 61.300 0.214 0.000 1.016 63 I CB 2.806 40.807 38.000 0.003 0.000 1.227 63 I HN 0.784 nan 8.210 nan 0.000 0.456 64 I N 0.001 120.519 120.570 -0.087 0.000 5.183 64 I HA 0.175 4.345 4.170 0.001 0.000 0.343 64 I C 0.308 176.180 176.117 -0.408 0.000 1.230 64 I CA -0.212 60.873 61.300 -0.359 0.000 1.473 64 I CB 0.481 37.956 38.000 -0.877 0.000 1.569 64 I HN 0.585 nan 8.210 nan 0.000 0.544 65 H N 3.124 122.035 119.070 -0.264 0.000 2.803 65 H HA 0.094 4.650 4.556 0.001 0.000 0.330 65 H C -1.739 173.242 175.328 -0.578 0.000 1.057 65 H CA -0.980 54.827 56.048 -0.401 0.000 1.458 65 H CB 1.179 30.898 29.762 -0.072 0.000 1.470 65 H HN 0.096 nan 8.280 nan 0.000 0.560 66 P HA -0.257 nan 4.420 nan 0.000 0.214 66 P C 1.382 178.420 177.300 -0.436 0.000 1.169 66 P CA 1.929 64.368 63.100 -1.101 0.000 0.908 66 P CB 0.114 30.771 31.700 -1.738 0.000 0.791 67 E N -0.187 119.865 120.200 -0.246 0.000 2.209 67 E HA -0.227 4.123 4.350 0.001 0.000 0.196 67 E C 1.022 177.641 176.600 0.031 0.000 0.993 67 E CA 1.558 57.936 56.400 -0.036 0.000 0.819 67 E CB -1.092 28.605 29.700 -0.005 0.000 0.745 67 E HN 0.284 nan 8.360 nan 0.000 0.477 68 D N 0.942 121.337 120.400 -0.007 0.000 2.178 68 D HA -0.108 4.532 4.640 0.001 0.000 0.202 68 D C 1.947 178.247 176.300 0.001 0.000 0.974 68 D CA 1.141 55.141 54.000 -0.001 0.000 0.841 68 D CB 0.105 40.897 40.800 -0.014 0.000 0.953 68 D HN 0.134 nan 8.370 nan 0.000 0.478 69 V N 1.061 120.987 119.914 0.021 0.000 2.273 69 V HA -0.141 3.980 4.120 0.001 0.000 0.242 69 V C 2.511 178.762 176.094 0.262 0.000 1.035 69 V CA 1.446 63.812 62.300 0.111 0.000 1.013 69 V CB -1.049 30.904 31.823 0.217 0.000 0.652 69 V HN 0.217 nan 8.190 nan 0.000 0.452 70 A N -0.062 122.938 122.820 0.299 0.000 1.894 70 A HA -0.412 3.908 4.320 0.001 0.000 0.220 70 A C 2.211 180.014 177.584 0.365 0.000 1.237 70 A CA 2.874 55.110 52.037 0.331 0.000 0.660 70 A CB -1.363 17.787 19.000 0.250 0.000 0.835 70 A HN 0.788 nan 8.150 nan 0.000 0.461 71 H N -1.131 118.040 119.070 0.167 0.000 2.387 71 H HA -0.076 4.480 4.556 0.000 0.000 0.299 71 H C 2.073 177.507 175.328 0.177 0.000 1.090 71 H CA 0.972 57.129 56.048 0.181 0.000 1.332 71 H CB -0.052 29.762 29.762 0.087 0.000 1.386 71 H HN 0.401 nan 8.280 nan 0.000 0.516 72 L N 0.477 121.740 121.223 0.066 0.000 2.012 72 L HA -0.217 4.123 4.340 0.001 0.000 0.210 72 L C 1.829 178.708 176.870 0.015 0.000 1.073 72 L CA 1.671 56.432 54.840 -0.132 0.000 0.748 72 L CB -0.982 40.898 42.059 -0.298 0.000 0.891 72 L HN 0.289 nan 8.230 nan 0.000 0.431 73 F N 0.928 120.995 119.950 0.194 0.000 2.134 73 F HA -0.229 4.298 4.527 0.001 0.000 0.299 73 F C 2.631 178.587 175.800 0.260 0.000 1.097 73 F CA 1.827 59.958 58.000 0.217 0.000 1.264 73 F CB -0.604 38.533 39.000 0.228 0.000 1.001 73 F HN 0.116 nan 8.300 nan 0.000 0.479 74 K N -0.320 120.372 120.400 0.487 0.000 2.304 74 K HA -0.237 4.083 4.320 0.001 0.000 0.204 74 K C 0.704 177.448 176.600 0.240 0.000 1.044 74 K CA 1.574 58.086 56.287 0.375 0.000 0.932 74 K CB -0.329 32.441 32.500 0.450 0.000 0.735 74 K HN 0.263 nan 8.250 nan 0.000 0.468 75 F N 0.455 120.475 119.950 0.116 0.000 2.683 75 F HA 0.171 4.698 4.527 0.000 0.000 0.306 75 F C 1.095 176.913 175.800 0.030 0.000 1.102 75 F CA -0.435 57.598 58.000 0.054 0.000 1.244 75 F CB 0.423 39.428 39.000 0.008 0.000 1.029 75 F HN 0.150 nan 8.300 nan 0.000 0.545 76 E N -0.079 120.251 120.200 0.216 0.000 2.427 76 E HA 0.331 4.682 4.350 0.001 0.000 0.196 76 E C 1.395 178.064 176.600 0.114 0.000 1.028 76 E CA 0.598 57.089 56.400 0.151 0.000 0.864 76 E CB -0.005 29.821 29.700 0.211 0.000 0.813 76 E HN 0.207 nan 8.360 nan 0.000 0.514 77 G N 0.956 109.810 108.800 0.090 0.000 2.693 77 G HA2 -0.348 3.612 3.960 0.001 0.000 0.226 77 G HA3 -0.348 3.612 3.960 0.001 0.000 0.226 77 G C 0.592 175.521 174.900 0.050 0.000 1.354 77 G CA 0.224 45.341 45.100 0.028 0.000 0.873 77 G HN 0.529 nan 8.290 nan 0.000 0.562 78 S N -1.666 114.022 115.700 -0.018 0.000 2.503 78 S HA 0.284 4.755 4.470 0.001 0.000 0.215 78 S C 0.756 175.589 174.600 0.390 0.000 1.003 78 S CA 0.790 59.034 58.200 0.074 0.000 0.910 78 S CB 0.226 63.361 63.200 -0.107 0.000 0.790 78 S HN 0.783 nan 8.310 nan 0.000 0.514 79 Y N 2.620 122.950 120.300 0.050 0.000 2.747 79 Y HA 0.450 5.000 4.550 0.000 0.000 0.362 79 Y C -2.636 173.124 175.900 -0.234 0.000 1.026 79 Y CA -2.766 55.290 58.100 -0.073 0.000 1.135 79 Y CB 0.361 38.831 38.460 0.017 0.000 1.175 79 Y HN 0.196 nan 8.280 nan 0.000 0.643 80 P HA -0.037 nan 4.420 nan 0.000 0.271 80 P C -0.498 176.674 177.300 -0.213 0.000 1.233 80 P CA 0.176 63.223 63.100 -0.090 0.000 0.795 80 P CB 0.822 32.522 31.700 0.001 0.000 0.936 81 E N 0.278 120.433 120.200 -0.076 0.000 2.343 81 E HA 0.216 4.566 4.350 0.001 0.000 0.288 81 E C -0.670 175.974 176.600 0.073 0.000 0.907 81 E CA -0.781 55.565 56.400 -0.090 0.000 0.792 81 E CB 1.075 30.686 29.700 -0.148 0.000 1.275 81 E HN 0.380 nan 8.360 nan 0.000 0.402 82 R N 2.792 123.347 120.500 0.092 0.000 2.602 82 R HA 0.331 4.671 4.340 0.001 0.000 0.237 82 R C -0.442 176.059 176.300 0.334 0.000 1.219 82 R CA -0.768 55.465 56.100 0.221 0.000 1.121 82 R CB 0.453 30.860 30.300 0.177 0.000 1.408 82 R HN 0.495 nan 8.270 nan 0.000 0.559 83 Y N 1.098 121.533 120.300 0.227 0.000 2.537 83 Y HA 0.028 4.578 4.550 0.000 0.000 0.339 83 Y C -0.733 175.248 175.900 0.135 0.000 1.066 83 Y CA -0.250 57.979 58.100 0.214 0.000 1.357 83 Y CB 0.658 39.187 38.460 0.115 0.000 1.175 83 Y HN 0.531 nan 8.280 nan 0.000 0.525 84 D N 7.393 127.658 120.400 -0.226 0.000 2.411 84 D HA 0.199 4.840 4.640 0.001 0.000 0.225 84 D C -0.189 175.811 176.300 -0.501 0.000 1.156 84 D CA -0.032 53.846 54.000 -0.204 0.000 0.874 84 D CB 0.413 41.191 40.800 -0.036 0.000 1.034 84 D HN 0.530 nan 8.370 nan 0.000 0.502 85 I N 5.089 125.353 120.570 -0.509 0.000 2.978 85 I HA -0.096 4.074 4.170 0.001 0.000 0.293 85 I C -0.884 175.059 176.117 -0.290 0.000 1.218 85 I CA -0.806 60.143 61.300 -0.586 0.000 1.393 85 I CB 0.529 38.008 38.000 -0.869 0.000 1.394 85 I HN 0.264 nan 8.210 nan 0.000 0.541 86 P HA -0.147 nan 4.420 nan 0.000 0.216 86 P C -1.352 176.044 177.300 0.160 0.000 1.153 86 P CA 1.641 64.727 63.100 -0.024 0.000 0.858 86 P CB -1.062 30.652 31.700 0.024 0.000 0.789 87 P HA -0.149 nan 4.420 nan 0.000 0.215 87 P C 1.448 179.206 177.300 0.762 0.000 1.157 87 P CA 1.338 64.743 63.100 0.508 0.000 0.863 87 P CB -0.653 31.215 31.700 0.280 0.000 0.787 88 W N 0.236 121.811 121.300 0.459 0.000 2.317 88 W HA -0.086 4.574 4.660 0.000 0.000 0.318 88 W C 2.580 179.142 176.519 0.072 0.000 1.227 88 W CA 0.441 58.037 57.345 0.418 0.000 1.269 88 W CB -2.000 27.757 29.460 0.496 0.000 1.155 88 W HN -0.095 nan 8.180 nan 0.000 0.484 89 L N -0.171 121.092 121.223 0.067 0.000 2.131 89 L HA -0.196 4.145 4.340 0.001 0.000 0.210 89 L C 2.568 179.488 176.870 0.084 0.000 1.092 89 L CA 1.424 56.153 54.840 -0.184 0.000 0.759 89 L CB -0.915 41.025 42.059 -0.199 0.000 0.903 89 L HN -0.026 nan 8.230 nan 0.000 0.435 90 A N -0.765 122.200 122.820 0.242 0.000 1.877 90 A HA -0.302 4.019 4.320 0.001 0.000 0.216 90 A C 2.103 179.957 177.584 0.451 0.000 1.186 90 A CA 1.643 53.842 52.037 0.270 0.000 0.620 90 A CB -0.959 18.183 19.000 0.237 0.000 0.822 90 A HN 0.494 nan 8.150 nan 0.000 0.443 91 Y N 0.494 121.116 120.300 0.536 0.000 2.030 91 Y HA -0.375 4.175 4.550 0.001 0.000 0.274 91 Y C 2.465 178.490 175.900 0.209 0.000 1.153 91 Y CA 2.726 61.089 58.100 0.438 0.000 1.115 91 Y CB -0.724 37.779 38.460 0.071 0.000 0.969 91 Y HN 0.513 nan 8.280 nan 0.000 0.488 92 H N -0.547 118.593 119.070 0.116 0.000 2.421 92 H HA -0.105 4.452 4.556 0.000 0.000 0.298 92 H C 2.364 177.643 175.328 -0.082 0.000 1.087 92 H CA 1.891 57.917 56.048 -0.038 0.000 1.330 92 H CB -0.243 29.521 29.762 0.004 0.000 1.388 92 H HN 0.347 nan 8.280 nan 0.000 0.526 93 R N -0.540 120.024 120.500 0.106 0.000 2.100 93 R HA -0.114 4.227 4.340 0.001 0.000 0.220 93 R C 1.792 178.103 176.300 0.018 0.000 1.091 93 R CA 0.868 56.993 56.100 0.042 0.000 0.986 93 R CB -0.369 29.950 30.300 0.031 0.000 0.888 93 R HN 0.435 nan 8.270 nan 0.000 0.444 94 Y N -0.350 119.857 120.300 -0.154 0.000 2.242 94 Y HA -0.195 4.356 4.550 0.000 0.000 0.291 94 Y C 0.786 176.343 175.900 -0.571 0.000 1.137 94 Y CA 1.222 59.123 58.100 -0.332 0.000 1.181 94 Y CB 0.241 38.519 38.460 -0.303 0.000 0.989 94 Y HN 0.105 nan 8.280 nan 0.000 0.527 95 Y N 0.448 120.561 120.300 -0.312 0.000 2.468 95 Y HA 0.144 4.695 4.550 0.001 0.000 0.268 95 Y C 0.285 175.964 175.900 -0.369 0.000 1.177 95 Y CA -0.339 57.469 58.100 -0.487 0.000 1.265 95 Y CB -0.353 37.629 38.460 -0.796 0.000 1.103 95 Y HN 0.082 nan 8.280 nan 0.000 0.522 96 Q N 0.952 120.657 119.800 -0.157 0.000 2.443 96 Q HA -0.220 4.120 4.340 0.001 0.000 0.337 96 Q C -0.658 175.279 176.000 -0.104 0.000 1.401 96 Q CA 0.600 56.347 55.803 -0.094 0.000 0.943 96 Q CB -0.945 27.740 28.738 -0.088 0.000 1.177 96 Q HN 0.329 nan 8.270 nan 0.000 0.394 97 K N 0.786 121.112 120.400 -0.124 0.000 2.164 97 K HA 0.510 4.830 4.320 0.001 0.000 0.258 97 K C -2.327 174.328 176.600 0.091 0.000 0.951 97 K CA -1.995 54.186 56.287 -0.176 0.000 0.844 97 K CB 1.289 33.455 32.500 -0.556 0.000 1.099 97 K HN -0.055 nan 8.250 nan 0.000 0.435 98 P HA 0.183 nan 4.420 nan 0.000 0.272 98 P C -0.323 177.214 177.300 0.394 0.000 1.230 98 P CA -0.246 62.994 63.100 0.233 0.000 0.788 98 P CB 0.363 32.190 31.700 0.212 0.000 0.949 99 I N -2.314 118.432 120.570 0.294 0.000 2.785 99 I HA 0.842 5.012 4.170 0.001 0.000 0.302 99 I C 0.098 176.337 176.117 0.203 0.000 1.069 99 I CA -0.919 60.560 61.300 0.300 0.000 1.045 99 I CB 2.325 40.478 38.000 0.255 0.000 1.236 99 I HN 0.360 nan 8.210 nan 0.000 0.429 100 G N 2.328 111.223 108.800 0.159 0.000 3.039 100 G HA2 0.420 4.380 3.960 0.001 0.000 0.159 100 G HA3 0.420 4.380 3.960 0.001 0.000 0.159 100 G C 0.886 175.830 174.900 0.074 0.000 1.284 100 G CA 0.064 45.217 45.100 0.089 0.000 0.996 100 G HN 0.820 nan 8.290 nan 0.000 0.592 101 V N -1.332 118.612 119.914 0.050 0.000 2.594 101 V HA -0.082 4.039 4.120 0.001 0.000 0.253 101 V C 2.611 178.813 176.094 0.179 0.000 1.069 101 V CA 1.757 64.141 62.300 0.141 0.000 1.082 101 V CB -0.904 30.964 31.823 0.075 0.000 0.680 101 V HN 0.350 nan 8.190 nan 0.000 0.469 102 L N 0.133 121.319 121.223 -0.061 0.000 2.083 102 L HA 0.024 4.364 4.340 0.001 0.000 0.209 102 L C 2.113 178.744 176.870 -0.398 0.000 1.083 102 L CA 2.131 56.796 54.840 -0.291 0.000 0.752 102 L CB -0.517 41.206 42.059 -0.559 0.000 0.899 102 L HN 0.363 nan 8.230 nan 0.000 0.433 103 F N -1.660 118.370 119.950 0.133 0.000 2.720 103 F HA 0.229 4.756 4.527 0.001 0.000 0.301 103 F C 1.160 177.005 175.800 0.076 0.000 1.103 103 F CA -0.624 57.415 58.000 0.065 0.000 1.291 103 F CB -0.079 38.901 39.000 -0.034 0.000 1.086 103 F HN -0.266 nan 8.300 nan 0.000 0.592 104 K N 2.101 122.656 120.400 0.258 0.000 2.485 104 K HA 0.107 4.427 4.320 0.001 0.000 0.277 104 K C -0.207 176.535 176.600 0.237 0.000 0.990 104 K CA 0.488 56.927 56.287 0.254 0.000 0.994 104 K CB 0.558 33.217 32.500 0.265 0.000 0.906 104 K HN 0.045 nan 8.250 nan 0.000 0.488 105 K N 1.349 121.852 120.400 0.171 0.000 2.259 105 K HA 0.183 4.503 4.320 0.001 0.000 0.249 105 K C 0.095 176.768 176.600 0.121 0.000 0.942 105 K CA -0.411 55.926 56.287 0.083 0.000 0.816 105 K CB 1.841 34.366 32.500 0.041 0.000 1.155 105 K HN 0.754 nan 8.250 nan 0.000 0.428 106 S N 1.216 116.957 115.700 0.069 0.000 3.927 106 S HA -0.299 4.171 4.470 0.001 0.000 0.618 106 S C 1.536 176.040 174.600 -0.160 0.000 2.201 106 S CA 1.668 59.933 58.200 0.108 0.000 4.160 106 S CB -1.554 61.780 63.200 0.223 0.000 0.266 106 S HN 1.010 nan 8.310 nan 0.000 0.760 107 G N -0.075 108.669 108.800 -0.094 0.000 2.469 107 G HA2 -0.160 3.801 3.960 0.001 0.000 0.219 107 G HA3 -0.160 3.801 3.960 0.001 0.000 0.219 107 G C 1.498 176.345 174.900 -0.089 0.000 1.150 107 G CA 1.980 46.993 45.100 -0.144 0.000 0.763 107 G HN 0.884 nan 8.290 nan 0.000 0.561 108 T N -0.061 114.494 114.554 0.002 0.000 2.635 108 T HA -0.222 4.129 4.350 0.001 0.000 0.267 108 T C 1.817 176.522 174.700 0.008 0.000 1.040 108 T CA 1.663 63.772 62.100 0.016 0.000 1.156 108 T CB -0.369 68.533 68.868 0.057 0.000 0.863 108 T HN 0.593 nan 8.240 nan 0.000 0.430 109 W N 2.612 123.840 121.300 -0.119 0.000 2.321 109 W HA -0.233 4.427 4.660 0.000 0.000 0.306 109 W C 2.307 178.735 176.519 -0.151 0.000 1.217 109 W CA 1.816 59.095 57.345 -0.110 0.000 1.257 109 W CB -0.256 29.145 29.460 -0.099 0.000 1.145 109 W HN 0.081 nan 8.180 nan 0.000 0.509 110 K N 1.414 121.629 120.400 -0.308 0.000 2.025 110 K HA -0.215 4.105 4.320 0.001 0.000 0.207 110 K C 2.067 178.384 176.600 -0.472 0.000 1.049 110 K CA 2.358 58.277 56.287 -0.613 0.000 0.933 110 K CB -0.857 31.372 32.500 -0.451 0.000 0.714 110 K HN 0.223 nan 8.250 nan 0.000 0.438 111 K N 0.278 120.508 120.400 -0.283 0.000 2.020 111 K HA -0.203 4.117 4.320 0.001 0.000 0.212 111 K C 1.448 177.914 176.600 -0.224 0.000 1.050 111 K CA 2.333 58.504 56.287 -0.194 0.000 0.929 111 K CB -0.363 32.069 32.500 -0.114 0.000 0.714 111 K HN 0.179 nan 8.250 nan 0.000 0.443 112 D N -0.158 120.093 120.400 -0.249 0.000 2.087 112 D HA -0.171 4.469 4.640 0.001 0.000 0.192 112 D C 1.925 178.029 176.300 -0.327 0.000 0.993 112 D CA 1.403 55.260 54.000 -0.238 0.000 0.828 112 D CB -0.253 40.429 40.800 -0.197 0.000 0.968 112 D HN 0.168 nan 8.370 nan 0.000 0.448 113 R N 0.532 120.692 120.500 -0.568 0.000 2.355 113 R HA -0.059 4.281 4.340 0.001 0.000 0.219 113 R C 1.693 177.755 176.300 -0.397 0.000 1.107 113 R CA 0.479 56.221 56.100 -0.597 0.000 1.021 113 R CB -0.439 29.161 30.300 -1.166 0.000 0.852 113 R HN 0.192 nan 8.270 nan 0.000 0.475 114 V N -1.344 118.370 119.914 -0.333 0.000 2.426 114 V HA -0.065 4.056 4.120 0.001 0.000 0.242 114 V C 1.797 177.801 176.094 -0.150 0.000 1.036 114 V CA 1.389 63.565 62.300 -0.207 0.000 1.044 114 V CB 0.041 31.764 31.823 -0.168 0.000 0.688 114 V HN 0.178 nan 8.190 nan 0.000 0.462 115 V N 0.824 120.650 119.914 -0.146 0.000 2.219 115 V HA -0.335 3.785 4.120 0.001 0.000 0.248 115 V C 2.509 178.539 176.094 -0.107 0.000 1.053 115 V CA 2.747 64.979 62.300 -0.113 0.000 1.009 115 V CB -0.995 30.764 31.823 -0.106 0.000 0.636 115 V HN 0.536 nan 8.190 nan 0.000 0.445 116 L N 0.021 121.172 121.223 -0.118 0.000 2.034 116 L HA -0.318 4.022 4.340 0.001 0.000 0.217 116 L C 2.408 179.230 176.870 -0.080 0.000 1.077 116 L CA 2.385 57.167 54.840 -0.096 0.000 0.769 116 L CB -0.942 41.054 42.059 -0.104 0.000 0.890 116 L HN 0.412 nan 8.230 nan 0.000 0.435 117 N N -1.117 117.526 118.700 -0.094 0.000 2.137 117 N HA -0.172 4.568 4.740 0.001 0.000 0.190 117 N C 1.659 177.127 175.510 -0.070 0.000 1.017 117 N CA 1.948 54.952 53.050 -0.077 0.000 0.859 117 N CB -0.182 38.254 38.487 -0.085 0.000 1.002 117 N HN 0.357 nan 8.380 nan 0.000 0.428 118 T N -0.612 113.896 114.554 -0.077 0.000 2.851 118 T HA -0.009 4.341 4.350 0.001 0.000 0.262 118 T C 1.491 176.145 174.700 -0.076 0.000 1.043 118 T CA 0.775 62.828 62.100 -0.078 0.000 1.140 118 T CB -0.179 68.643 68.868 -0.077 0.000 0.872 118 T HN 0.092 nan 8.240 nan 0.000 0.446 119 E N 0.169 120.330 120.200 -0.065 0.000 2.478 119 E HA 0.082 4.432 4.350 0.001 0.000 0.198 119 E C 1.044 177.649 176.600 0.009 0.000 1.046 119 E CA 0.129 56.500 56.400 -0.048 0.000 0.870 119 E CB 0.166 29.832 29.700 -0.057 0.000 0.818 119 E HN 0.220 nan 8.360 nan 0.000 0.527 120 V N -0.714 119.211 119.914 0.019 0.000 4.370 120 V HA 0.132 4.253 4.120 0.001 0.000 0.404 120 V C 0.010 176.163 176.094 0.098 0.000 1.779 120 V CA 0.576 62.952 62.300 0.127 0.000 1.757 120 V CB 0.435 32.304 31.823 0.076 0.000 1.041 120 V HN 0.245 nan 8.190 nan 0.000 0.433 121 M N 0.323 119.928 119.600 0.008 0.000 2.060 121 M HA 0.695 5.175 4.480 0.001 0.000 0.273 121 M C 0.872 177.138 176.300 -0.056 0.000 1.139 121 M CA 1.184 56.471 55.300 -0.022 0.000 1.091 121 M CB 0.915 33.491 32.600 -0.040 0.000 1.860 121 M HN 0.175 nan 8.290 nan 0.000 0.638 122 A N 2.391 125.167 122.820 -0.072 0.000 2.498 122 A HA 0.354 4.675 4.320 0.001 0.000 0.239 122 A C -1.667 175.855 177.584 -0.103 0.000 1.068 122 A CA -0.760 51.225 52.037 -0.086 0.000 0.766 122 A CB -0.660 18.287 19.000 -0.089 0.000 1.003 122 A HN 0.467 nan 8.150 nan 0.000 0.497 123 P HA -0.206 nan 4.420 nan 0.000 0.220 123 P C 0.850 178.070 177.300 -0.133 0.000 1.144 123 P CA 1.267 64.308 63.100 -0.097 0.000 0.800 123 P CB 0.178 31.834 31.700 -0.073 0.000 0.772 124 E N 0.792 120.909 120.200 -0.138 0.000 1.996 124 E HA -0.155 4.195 4.350 0.001 0.000 0.197 124 E C 2.286 178.726 176.600 -0.267 0.000 1.002 124 E CA 1.546 57.849 56.400 -0.162 0.000 0.840 124 E CB -1.379 28.242 29.700 -0.131 0.000 0.786 124 E HN 0.151 nan 8.360 nan 0.000 0.469 125 A N 1.407 124.039 122.820 -0.313 0.000 2.042 125 A HA -0.214 4.106 4.320 0.001 0.000 0.222 125 A C 2.163 179.108 177.584 -1.065 0.000 1.167 125 A CA 1.464 53.154 52.037 -0.578 0.000 0.649 125 A CB -0.535 18.247 19.000 -0.362 0.000 0.809 125 A HN 0.166 nan 8.150 nan 0.000 0.457 126 I N -0.312 119.933 120.570 -0.542 0.000 2.162 126 I HA -0.130 4.040 4.170 0.001 0.000 0.238 126 I C 2.015 177.981 176.117 -0.253 0.000 1.076 126 I CA 1.349 62.455 61.300 -0.324 0.000 1.353 126 I CB -1.361 36.589 38.000 -0.084 0.000 1.063 126 I HN 0.289 nan 8.210 nan 0.000 0.408 127 K N 0.742 121.029 120.400 -0.188 0.000 2.585 127 K HA -0.114 4.206 4.320 0.001 0.000 0.194 127 K C 1.044 177.567 176.600 -0.128 0.000 1.037 127 K CA 0.406 56.627 56.287 -0.110 0.000 0.964 127 K CB -0.169 32.281 32.500 -0.083 0.000 0.787 127 K HN 0.305 nan 8.250 nan 0.000 0.488 128 N N -0.328 118.208 118.700 -0.273 0.000 2.238 128 N HA 0.054 4.794 4.740 0.001 0.000 0.222 128 N C -0.095 175.334 175.510 -0.135 0.000 1.133 128 N CA 0.196 53.107 53.050 -0.231 0.000 0.854 128 N CB 0.423 38.724 38.487 -0.310 0.000 1.041 128 N HN 0.044 nan 8.380 nan 0.000 0.510 129 F N -0.101 119.837 119.950 -0.020 0.000 2.746 129 F HA 0.363 4.891 4.527 0.000 0.000 0.313 129 F C 1.865 177.664 175.800 -0.000 0.000 1.095 129 F CA -0.658 57.329 58.000 -0.021 0.000 1.224 129 F CB -0.167 38.810 39.000 -0.039 0.000 1.060 129 F HN -0.080 nan 8.300 nan 0.000 0.584 130 I N 2.117 122.790 120.570 0.172 0.000 2.113 130 I HA -0.278 3.892 4.170 0.001 0.000 0.242 130 I C -0.180 176.003 176.117 0.110 0.000 1.064 130 I CA 1.818 63.189 61.300 0.118 0.000 1.320 130 I CB -1.562 36.481 38.000 0.071 0.000 1.028 130 I HN -0.023 nan 8.210 nan 0.000 0.406 131 P HA -0.143 nan 4.420 nan 0.000 0.218 131 P C 1.884 179.235 177.300 0.085 0.000 1.149 131 P CA 1.569 64.719 63.100 0.082 0.000 0.817 131 P CB 0.017 31.760 31.700 0.072 0.000 0.785 132 L N -1.503 119.785 121.223 0.109 0.000 2.341 132 L HA 0.066 4.406 4.340 0.001 0.000 0.214 132 L C 2.361 179.249 176.870 0.029 0.000 1.115 132 L CA 0.699 55.587 54.840 0.080 0.000 0.820 132 L CB -0.249 41.879 42.059 0.115 0.000 0.944 132 L HN -0.076 nan 8.230 nan 0.000 0.452 133 L N -1.712 119.540 121.223 0.048 0.000 2.575 133 L HA 0.081 4.421 4.340 0.001 0.000 0.228 133 L C 1.923 178.848 176.870 0.093 0.000 1.075 133 L CA -0.067 54.788 54.840 0.025 0.000 0.867 133 L CB -0.260 41.813 42.059 0.023 0.000 1.097 133 L HN 0.141 nan 8.230 nan 0.000 0.485 134 N N 1.107 119.876 118.700 0.114 0.000 2.069 134 N HA -0.144 4.596 4.740 0.001 0.000 0.191 134 N C -0.745 174.807 175.510 0.069 0.000 1.031 134 N CA 1.858 54.997 53.050 0.147 0.000 0.852 134 N CB -0.624 37.952 38.487 0.149 0.000 1.018 134 N HN 0.152 nan 8.380 nan 0.000 0.423 135 P HA -0.068 nan 4.420 nan 0.000 0.216 135 P C 1.506 178.821 177.300 0.025 0.000 1.153 135 P CA 1.020 64.126 63.100 0.010 0.000 0.844 135 P CB -0.043 31.665 31.700 0.012 0.000 0.787 136 V N 0.630 120.571 119.914 0.046 0.000 2.490 136 V HA -0.169 3.951 4.120 0.001 0.000 0.250 136 V C 2.452 178.706 176.094 0.267 0.000 1.061 136 V CA 2.269 64.619 62.300 0.083 0.000 1.064 136 V CB -1.586 30.207 31.823 -0.049 0.000 0.670 136 V HN 0.166 nan 8.190 nan 0.000 0.461 137 S N -0.897 114.975 115.700 0.288 0.000 2.522 137 S HA -0.090 4.381 4.470 0.001 0.000 0.227 137 S C 1.841 176.440 174.600 -0.003 0.000 0.986 137 S CA 0.638 59.053 58.200 0.359 0.000 0.929 137 S CB -0.050 63.386 63.200 0.394 0.000 0.769 137 S HN 0.679 nan 8.310 nan 0.000 0.529 138 Q N 0.763 120.494 119.800 -0.115 0.000 2.165 138 Q HA -0.007 4.334 4.340 0.001 0.000 0.197 138 Q C 1.159 177.131 176.000 -0.046 0.000 0.952 138 Q CA 0.748 56.411 55.803 -0.233 0.000 0.848 138 Q CB -0.077 28.512 28.738 -0.247 0.000 0.931 138 Q HN 0.289 nan 8.270 nan 0.000 0.470 139 D N 0.402 120.820 120.400 0.030 0.000 2.228 139 D HA -0.181 4.459 4.640 0.001 0.000 0.203 139 D C 1.220 177.571 176.300 0.085 0.000 0.988 139 D CA 0.971 55.008 54.000 0.061 0.000 0.864 139 D CB -0.101 40.752 40.800 0.088 0.000 0.928 139 D HN 0.142 nan 8.370 nan 0.000 0.469 140 F N 0.399 120.354 119.950 0.009 0.000 2.187 140 F HA -0.121 4.406 4.527 0.000 0.000 0.295 140 F C 2.167 177.872 175.800 -0.158 0.000 1.091 140 F CA 0.612 58.583 58.000 -0.049 0.000 1.308 140 F CB -0.032 38.922 39.000 -0.076 0.000 1.030 140 F HN -0.203 nan 8.300 nan 0.000 0.487 141 V N -0.425 119.523 119.914 0.056 0.000 2.287 141 V HA -0.336 3.784 4.120 0.001 0.000 0.248 141 V C 2.376 178.457 176.094 -0.022 0.000 1.053 141 V CA 2.213 64.535 62.300 0.037 0.000 1.027 141 V CB -1.255 30.555 31.823 -0.021 0.000 0.646 141 V HN 0.322 nan 8.190 nan 0.000 0.447 142 S N 0.201 115.902 115.700 0.000 0.000 2.356 142 S HA -0.184 4.287 4.470 0.001 0.000 0.223 142 S C 1.913 176.485 174.600 -0.047 0.000 1.032 142 S CA 1.750 59.974 58.200 0.040 0.000 1.005 142 S CB -0.517 62.693 63.200 0.017 0.000 0.867 142 S HN 0.452 nan 8.310 nan 0.000 0.449 143 L N 1.262 122.385 121.223 -0.168 0.000 2.042 143 L HA -0.062 4.278 4.340 0.001 0.000 0.210 143 L C 2.078 178.693 176.870 -0.424 0.000 1.076 143 L CA 1.463 56.134 54.840 -0.281 0.000 0.749 143 L CB -0.544 41.294 42.059 -0.368 0.000 0.893 143 L HN 0.195 nan 8.230 nan 0.000 0.432 144 L N -1.153 119.724 121.223 -0.577 0.000 2.056 144 L HA -0.215 4.126 4.340 0.001 0.000 0.207 144 L C 2.577 179.205 176.870 -0.403 0.000 1.078 144 L CA 1.628 55.995 54.840 -0.789 0.000 0.749 144 L CB -0.826 40.557 42.059 -1.127 0.000 0.901 144 L HN 0.380 nan 8.230 nan 0.000 0.433 145 H N -0.491 118.524 119.070 -0.091 0.000 2.357 145 H HA -0.151 4.405 4.556 0.001 0.000 0.301 145 H C 2.185 177.494 175.328 -0.031 0.000 1.082 145 H CA 1.562 57.633 56.048 0.039 0.000 1.342 145 H CB 0.068 29.874 29.762 0.073 0.000 1.389 145 H HN 0.292 nan 8.280 nan 0.000 0.511 146 K N 0.708 121.139 120.400 0.052 0.000 2.211 146 K HA -0.094 4.227 4.320 0.001 0.000 0.203 146 K C 2.023 178.615 176.600 -0.014 0.000 1.050 146 K CA 0.704 56.993 56.287 0.004 0.000 0.945 146 K CB 0.289 32.772 32.500 -0.027 0.000 0.732 146 K HN 0.081 nan 8.250 nan 0.000 0.451 147 R N 0.336 120.777 120.500 -0.098 0.000 2.093 147 R HA 0.016 4.357 4.340 0.001 0.000 0.224 147 R C 2.241 178.636 176.300 0.158 0.000 1.101 147 R CA 0.855 56.934 56.100 -0.036 0.000 0.979 147 R CB -0.317 29.715 30.300 -0.446 0.000 0.877 147 R HN 0.305 nan 8.270 nan 0.000 0.441 148 I N 1.761 122.388 120.570 0.094 0.000 2.394 148 I HA -0.248 3.922 4.170 0.001 0.000 0.251 148 I C 2.205 178.407 176.117 0.140 0.000 1.136 148 I CA 1.310 62.717 61.300 0.178 0.000 1.425 148 I CB -0.222 37.894 38.000 0.194 0.000 1.079 148 I HN 0.152 nan 8.210 nan 0.000 0.425 149 K N 0.654 121.118 120.400 0.106 0.000 2.487 149 K HA -0.092 4.228 4.320 0.001 0.000 0.192 149 K C 1.805 178.443 176.600 0.064 0.000 1.027 149 K CA 0.593 56.925 56.287 0.074 0.000 1.054 149 K CB 0.164 32.695 32.500 0.051 0.000 0.824 149 K HN 0.167 nan 8.250 nan 0.000 0.510 150 Q N 0.448 120.297 119.800 0.082 0.000 2.402 150 Q HA 0.083 4.423 4.340 0.001 0.000 0.231 150 Q C 1.787 177.829 176.000 0.069 0.000 0.888 150 Q CA 0.577 56.422 55.803 0.070 0.000 0.938 150 Q CB 0.408 29.190 28.738 0.073 0.000 1.086 150 Q HN 0.278 nan 8.270 nan 0.000 0.543 151 Q N -0.923 118.932 119.800 0.091 0.000 1.994 151 Q HA 0.115 4.455 4.340 0.001 0.000 0.198 151 Q C 1.016 177.038 176.000 0.036 0.000 0.976 151 Q CA 1.749 57.583 55.803 0.052 0.000 0.828 151 Q CB 0.120 28.891 28.738 0.055 0.000 0.894 151 Q HN 0.473 nan 8.270 nan 0.000 0.432 152 G N -0.305 108.525 108.800 0.050 0.000 4.241 152 G HA2 -0.185 3.775 3.960 0.001 0.000 0.193 152 G HA3 -0.185 3.775 3.960 0.001 0.000 0.193 152 G C 0.324 175.250 174.900 0.043 0.000 1.789 152 G CA 0.147 45.270 45.100 0.039 0.000 1.025 152 G HN 0.288 nan 8.290 nan 0.000 0.346 153 S N 1.317 117.041 115.700 0.040 0.000 2.519 153 S HA 0.502 4.972 4.470 0.001 0.000 0.245 153 S C 1.281 175.916 174.600 0.058 0.000 1.152 153 S CA 0.829 59.053 58.200 0.040 0.000 1.175 153 S CB 0.326 63.540 63.200 0.024 0.000 0.829 153 S HN 2.327 nan 8.310 nan 0.000 0.472 154 G N 1.647 110.497 108.800 0.082 0.000 2.212 154 G HA2 -0.240 3.720 3.960 0.001 0.000 0.255 154 G HA3 -0.240 3.720 3.960 0.001 0.000 0.255 154 G C -0.281 174.703 174.900 0.139 0.000 1.062 154 G CA 0.110 45.277 45.100 0.112 0.000 0.815 154 G HN 0.988 nan 8.290 nan 0.000 0.497 155 K N -1.837 118.651 120.400 0.147 0.000 2.610 155 K HA 0.625 4.945 4.320 0.001 0.000 0.267 155 K C -1.412 175.314 176.600 0.210 0.000 0.943 155 K CA -1.295 55.098 56.287 0.176 0.000 0.862 155 K CB 0.933 33.505 32.500 0.119 0.000 1.376 155 K HN 0.635 nan 8.250 nan 0.000 0.412 156 F N 2.932 122.932 119.950 0.083 0.000 2.443 156 F HA 0.638 5.165 4.527 0.000 0.000 0.335 156 F C -1.225 174.644 175.800 0.116 0.000 1.104 156 F CA -0.569 57.473 58.000 0.069 0.000 1.013 156 F CB 1.689 40.695 39.000 0.009 0.000 1.136 156 F HN 0.335 nan 8.300 nan 0.000 0.470 157 V N 4.604 124.284 119.914 -0.390 0.000 2.815 157 V HA 0.987 5.107 4.120 0.001 0.000 0.314 157 V C 0.076 175.848 176.094 -0.536 0.000 1.064 157 V CA -0.021 62.132 62.300 -0.244 0.000 0.952 157 V CB 1.372 33.088 31.823 -0.178 0.000 1.020 157 V HN 1.184 nan 8.190 nan 0.000 0.439 158 G N 1.885 110.649 108.800 -0.059 0.000 2.352 158 G HA2 0.173 4.133 3.960 0.001 0.000 0.302 158 G HA3 0.173 4.133 3.960 0.001 0.000 0.302 158 G C -1.786 173.312 174.900 0.329 0.000 1.370 158 G CA -0.617 44.557 45.100 0.123 0.000 0.918 158 G HN 0.660 nan 8.290 nan 0.000 0.610 159 D N 0.278 120.820 120.400 0.238 0.000 2.396 159 D HA 0.227 4.868 4.640 0.001 0.000 0.225 159 D C 1.251 177.569 176.300 0.031 0.000 1.121 159 D CA -0.547 53.409 54.000 -0.073 0.000 0.853 159 D CB 1.282 41.861 40.800 -0.368 0.000 1.043 159 D HN 0.379 nan 8.370 nan 0.000 0.500 160 I N 4.328 124.945 120.570 0.078 0.000 2.830 160 I HA -0.158 4.012 4.170 0.001 0.000 0.263 160 I C 2.304 178.366 176.117 -0.090 0.000 1.230 160 I CA 0.439 61.800 61.300 0.101 0.000 1.480 160 I CB -0.001 38.146 38.000 0.245 0.000 1.095 160 I HN 0.412 nan 8.210 nan 0.000 0.455 161 K N 1.243 121.486 120.400 -0.262 0.000 2.007 161 K HA -0.319 4.001 4.320 0.001 0.000 0.231 161 K C 1.710 177.881 176.600 -0.715 0.000 1.044 161 K CA 2.546 58.507 56.287 -0.544 0.000 0.996 161 K CB -0.382 31.744 32.500 -0.624 0.000 0.738 161 K HN 0.364 nan 8.250 nan 0.000 0.447 162 E N 0.336 120.181 120.200 -0.592 0.000 2.401 162 E HA -0.157 4.193 4.350 0.001 0.000 0.199 162 E C 1.478 177.785 176.600 -0.489 0.000 1.023 162 E CA 1.028 57.066 56.400 -0.603 0.000 0.859 162 E CB -0.038 29.457 29.700 -0.341 0.000 0.780 162 E HN 0.501 nan 8.360 nan 0.000 0.523 163 D N 0.298 120.575 120.400 -0.204 0.000 2.216 163 D HA -0.016 4.625 4.640 0.001 0.000 0.208 163 D C 2.224 178.713 176.300 0.315 0.000 0.960 163 D CA 0.205 54.261 54.000 0.093 0.000 0.861 163 D CB -0.026 40.846 40.800 0.120 0.000 0.985 163 D HN 0.185 nan 8.370 nan 0.000 0.493 164 L N 0.463 121.763 121.223 0.128 0.000 2.042 164 L HA -0.186 4.154 4.340 0.001 0.000 0.210 164 L C 2.480 179.518 176.870 0.280 0.000 1.076 164 L CA 0.932 55.831 54.840 0.099 0.000 0.749 164 L CB -0.481 41.511 42.059 -0.113 0.000 0.893 164 L HN -0.053 nan 8.230 nan 0.000 0.432 165 F N -0.042 119.925 119.950 0.028 0.000 2.126 165 F HA -0.207 4.321 4.527 0.001 0.000 0.299 165 F C 2.587 178.502 175.800 0.192 0.000 1.096 165 F CA 1.223 59.245 58.000 0.037 0.000 1.255 165 F CB -1.387 37.556 39.000 -0.095 0.000 0.997 165 F HN 0.187 nan 8.300 nan 0.000 0.479 166 H N -2.037 117.282 119.070 0.415 0.000 2.357 166 H HA -0.178 4.378 4.556 0.000 0.000 0.301 166 H C 2.140 177.685 175.328 0.362 0.000 1.082 166 H CA 1.246 57.507 56.048 0.355 0.000 1.342 166 H CB -0.455 29.475 29.762 0.281 0.000 1.389 166 H HN 0.175 nan 8.280 nan 0.000 0.511 167 F N 1.706 121.898 119.950 0.403 0.000 2.065 167 F HA -0.296 4.232 4.527 0.000 0.000 0.298 167 F C 2.477 178.393 175.800 0.194 0.000 1.112 167 F CA 1.461 59.639 58.000 0.297 0.000 1.212 167 F CB -0.495 38.638 39.000 0.222 0.000 0.975 167 F HN 0.106 nan 8.300 nan 0.000 0.476 168 A N -0.276 122.662 122.820 0.196 0.000 1.898 168 A HA -0.179 4.142 4.320 0.001 0.000 0.216 168 A C 2.140 179.733 177.584 0.016 0.000 1.181 168 A CA 1.430 53.488 52.037 0.035 0.000 0.620 168 A CB -1.613 17.516 19.000 0.215 0.000 0.819 168 A HN 0.556 nan 8.150 nan 0.000 0.442 169 F N 0.861 120.826 119.950 0.025 0.000 2.216 169 F HA -0.102 4.425 4.527 0.000 0.000 0.300 169 F C 2.076 177.814 175.800 -0.103 0.000 1.085 169 F CA 1.965 59.956 58.000 -0.015 0.000 1.326 169 F CB -0.153 38.890 39.000 0.072 0.000 1.027 169 F HN 0.323 nan 8.300 nan 0.000 0.497 170 E N 0.141 120.274 120.200 -0.113 0.000 2.007 170 E HA -0.162 4.188 4.350 0.001 0.000 0.194 170 E C 2.415 178.804 176.600 -0.352 0.000 0.999 170 E CA 1.923 58.182 56.400 -0.235 0.000 0.811 170 E CB -0.742 28.902 29.700 -0.094 0.000 0.762 170 E HN 0.291 nan 8.360 nan 0.000 0.450 171 S N -0.128 115.308 115.700 -0.440 0.000 2.380 171 S HA -0.243 4.227 4.470 0.001 0.000 0.229 171 S C 1.895 176.276 174.600 -0.366 0.000 1.050 171 S CA 1.547 59.481 58.200 -0.443 0.000 1.100 171 S CB -0.562 62.285 63.200 -0.588 0.000 0.984 171 S HN 0.360 nan 8.310 nan 0.000 0.434 172 I N 0.701 121.062 120.570 -0.349 0.000 2.315 172 I HA -0.092 4.078 4.170 0.001 0.000 0.248 172 I C 2.438 178.290 176.117 -0.442 0.000 1.117 172 I CA 1.610 62.701 61.300 -0.349 0.000 1.404 172 I CB -0.843 37.020 38.000 -0.230 0.000 1.071 172 I HN 0.236 nan 8.210 nan 0.000 0.419 173 T N 0.195 114.416 114.554 -0.556 0.000 2.985 173 T HA -0.106 4.244 4.350 0.001 0.000 0.266 173 T C 1.882 176.396 174.700 -0.309 0.000 1.076 173 T CA 1.221 62.994 62.100 -0.545 0.000 1.135 173 T CB -0.413 67.890 68.868 -0.942 0.000 0.890 173 T HN 0.458 nan 8.240 nan 0.000 0.480 174 N N 0.907 119.426 118.700 -0.303 0.000 2.022 174 N HA -0.099 4.641 4.740 0.001 0.000 0.194 174 N C 1.929 177.336 175.510 -0.173 0.000 1.057 174 N CA 1.768 54.709 53.050 -0.182 0.000 0.849 174 N CB -0.743 37.645 38.487 -0.165 0.000 1.044 174 N HN 0.250 nan 8.380 nan 0.000 0.424 175 V N 1.245 120.999 119.914 -0.267 0.000 2.469 175 V HA -0.197 3.923 4.120 0.001 0.000 0.251 175 V C 2.451 178.336 176.094 -0.349 0.000 1.064 175 V CA 1.502 63.610 62.300 -0.321 0.000 1.066 175 V CB -0.481 30.977 31.823 -0.607 0.000 0.667 175 V HN 0.355 nan 8.190 nan 0.000 0.461 176 M N -1.599 117.711 119.600 -0.482 0.000 2.557 176 M HA 0.049 4.530 4.480 0.001 0.000 0.259 176 M C 1.070 176.771 176.300 -0.999 0.000 1.086 176 M CA 1.716 56.557 55.300 -0.766 0.000 1.096 176 M CB -0.251 31.733 32.600 -1.025 0.000 1.424 176 M HN 0.362 nan 8.290 nan 0.000 0.488 177 F N -2.770 116.996 119.950 -0.307 0.000 2.665 177 F HA 0.414 4.941 4.527 0.000 0.000 0.328 177 F C 1.541 177.349 175.800 0.013 0.000 0.848 177 F CA 0.217 58.010 58.000 -0.345 0.000 1.071 177 F CB -0.084 38.211 39.000 -1.176 0.000 0.906 177 F HN 0.014 nan 8.300 nan 0.000 0.654 178 G N 1.208 110.125 108.800 0.195 0.000 2.131 178 G HA2 -0.197 3.763 3.960 0.001 0.000 0.201 178 G HA3 -0.197 3.763 3.960 0.001 0.000 0.201 178 G C -0.117 174.882 174.900 0.165 0.000 1.000 178 G CA 0.070 45.311 45.100 0.234 0.000 0.680 178 G HN 0.373 nan 8.290 nan 0.000 0.514 179 E N 0.398 120.696 120.200 0.164 0.000 2.263 179 E HA 0.503 4.854 4.350 0.001 0.000 0.268 179 E C 0.499 177.151 176.600 0.087 0.000 0.884 179 E CA -1.101 55.406 56.400 0.179 0.000 0.766 179 E CB 1.025 30.971 29.700 0.410 0.000 1.196 179 E HN 0.214 nan 8.360 nan 0.000 0.416 180 R N 3.539 124.065 120.500 0.043 0.000 2.694 180 R HA 0.149 4.489 4.340 0.001 0.000 0.268 180 R C 0.718 177.033 176.300 0.025 0.000 1.061 180 R CA -0.007 56.096 56.100 0.005 0.000 1.133 180 R CB 0.444 30.745 30.300 0.002 0.000 1.020 180 R HN 0.691 nan 8.270 nan 0.000 0.475 181 L N 0.247 121.471 121.223 0.001 0.000 2.701 181 L HA 0.178 4.518 4.340 0.001 0.000 0.238 181 L C 0.823 177.720 176.870 0.046 0.000 1.106 181 L CA 0.519 55.384 54.840 0.043 0.000 0.898 181 L CB 0.345 42.427 42.059 0.038 0.000 1.188 181 L HN 1.049 nan 8.230 nan 0.000 0.508 182 G N 0.913 109.727 108.800 0.024 0.000 2.256 182 G HA2 -0.336 3.624 3.960 0.001 0.000 0.272 182 G HA3 -0.336 3.624 3.960 0.001 0.000 0.272 182 G C 0.478 175.377 174.900 -0.001 0.000 1.076 182 G CA 0.529 45.637 45.100 0.014 0.000 0.882 182 G HN 0.210 nan 8.290 nan 0.000 0.497 183 M N -0.653 118.955 119.600 0.013 0.000 2.595 183 M HA 0.384 4.864 4.480 0.001 0.000 0.248 183 M C 1.474 177.731 176.300 -0.072 0.000 1.119 183 M CA 1.073 56.337 55.300 -0.060 0.000 1.079 183 M CB 0.171 32.823 32.600 0.088 0.000 1.472 183 M HN 0.289 nan 8.290 nan 0.000 0.501 184 L N 0.741 121.978 121.223 0.023 0.000 3.048 184 L HA 0.341 4.681 4.340 0.001 0.000 0.234 184 L C -0.646 176.225 176.870 0.001 0.000 1.318 184 L CA -0.239 54.635 54.840 0.056 0.000 1.109 184 L CB -0.320 41.819 42.059 0.134 0.000 1.480 184 L HN 0.184 nan 8.230 nan 0.000 0.495 185 E N -1.297 118.888 120.200 -0.025 0.000 2.458 185 E HA 0.210 4.561 4.350 0.001 0.000 0.278 185 E C -0.118 176.466 176.600 -0.027 0.000 1.004 185 E CA -0.802 55.583 56.400 -0.026 0.000 0.823 185 E CB 1.171 30.860 29.700 -0.019 0.000 1.396 185 E HN 0.061 nan 8.360 nan 0.000 0.463 186 E N 0.074 120.263 120.200 -0.018 0.000 2.118 186 E HA -0.073 4.277 4.350 0.001 0.000 0.195 186 E C -0.020 176.578 176.600 -0.002 0.000 0.992 186 E CA 1.126 57.523 56.400 -0.006 0.000 0.804 186 E CB 0.084 29.782 29.700 -0.002 0.000 0.741 186 E HN 0.176 nan 8.360 nan 0.000 0.458 187 T N 1.613 116.161 114.554 -0.010 0.000 2.809 187 T HA 0.325 4.676 4.350 0.001 0.000 0.296 187 T C -0.627 174.061 174.700 -0.021 0.000 1.015 187 T CA -0.589 61.507 62.100 -0.007 0.000 0.954 187 T CB 1.499 70.367 68.868 -0.000 0.000 0.950 187 T HN 0.008 nan 8.240 nan 0.000 0.450 188 V N 2.932 122.828 119.914 -0.030 0.000 2.370 188 V HA 0.585 4.706 4.120 0.001 0.000 0.279 188 V C 0.178 176.270 176.094 -0.004 0.000 1.029 188 V CA -1.372 60.895 62.300 -0.055 0.000 0.870 188 V CB 0.482 32.204 31.823 -0.168 0.000 0.984 188 V HN 0.903 nan 8.190 nan 0.000 0.451 189 N N 5.315 124.023 118.700 0.014 0.000 2.412 189 N HA 0.203 4.943 4.740 0.001 0.000 0.258 189 N C -1.957 173.580 175.510 0.045 0.000 1.236 189 N CA -0.624 52.446 53.050 0.033 0.000 0.882 189 N CB 0.640 39.156 38.487 0.047 0.000 1.066 189 N HN 0.459 nan 8.380 nan 0.000 0.465 190 P HA -0.087 nan 4.420 nan 0.000 0.229 190 P C 0.897 178.224 177.300 0.046 0.000 1.160 190 P CA 0.618 63.743 63.100 0.042 0.000 0.777 190 P CB 0.171 31.888 31.700 0.029 0.000 0.814 191 E N 0.758 120.983 120.200 0.043 0.000 2.049 191 E HA -0.258 4.092 4.350 0.001 0.000 0.198 191 E C 1.923 178.590 176.600 0.112 0.000 1.007 191 E CA 1.818 58.245 56.400 0.044 0.000 0.809 191 E CB -0.703 28.991 29.700 -0.011 0.000 0.749 191 E HN 0.123 nan 8.360 nan 0.000 0.450 192 A N 0.382 123.293 122.820 0.150 0.000 1.898 192 A HA -0.181 4.140 4.320 0.001 0.000 0.216 192 A C 2.207 179.772 177.584 -0.033 0.000 1.181 192 A CA 1.378 53.476 52.037 0.103 0.000 0.620 192 A CB -0.458 18.667 19.000 0.208 0.000 0.819 192 A HN 0.290 nan 8.150 nan 0.000 0.442 193 Q N -0.369 119.457 119.800 0.045 0.000 2.167 193 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 193 Q C 2.024 178.044 176.000 0.033 0.000 0.970 193 Q CA 1.389 57.232 55.803 0.066 0.000 0.855 193 Q CB -0.223 28.589 28.738 0.123 0.000 0.911 193 Q HN 0.717 nan 8.270 nan 0.000 0.438 194 K N -0.213 120.212 120.400 0.041 0.000 2.063 194 K HA -0.163 4.157 4.320 0.001 0.000 0.208 194 K C 1.974 178.573 176.600 -0.002 0.000 1.048 194 K CA 0.998 57.297 56.287 0.020 0.000 0.928 194 K CB -0.199 32.319 32.500 0.030 0.000 0.713 194 K HN 0.064 nan 8.250 nan 0.000 0.442 195 F N 1.651 121.528 119.950 -0.121 0.000 2.010 195 F HA -0.215 4.312 4.527 0.001 0.000 0.296 195 F C 1.913 177.561 175.800 -0.253 0.000 1.146 195 F CA 1.669 59.565 58.000 -0.174 0.000 1.181 195 F CB -0.315 38.580 39.000 -0.175 0.000 0.965 195 F HN -0.073 nan 8.300 nan 0.000 0.480 196 I N 0.419 120.951 120.570 -0.064 0.000 2.479 196 I HA -0.339 3.832 4.170 0.001 0.000 0.258 196 I C 1.556 177.540 176.117 -0.222 0.000 1.165 196 I CA 1.471 62.667 61.300 -0.174 0.000 1.422 196 I CB -0.533 37.396 38.000 -0.119 0.000 1.087 196 I HN 0.291 nan 8.210 nan 0.000 0.441 197 D N 0.342 120.647 120.400 -0.158 0.000 2.262 197 D HA 0.052 4.693 4.640 0.001 0.000 0.212 197 D C 2.258 178.457 176.300 -0.169 0.000 0.964 197 D CA 1.100 55.045 54.000 -0.091 0.000 0.875 197 D CB -0.017 40.764 40.800 -0.032 0.000 0.996 197 D HN 0.276 nan 8.370 nan 0.000 0.497 198 A N 1.076 123.722 122.820 -0.290 0.000 1.841 198 A HA -0.168 4.152 4.320 0.001 0.000 0.216 198 A C 2.465 179.715 177.584 -0.557 0.000 1.199 198 A CA 1.594 53.386 52.037 -0.409 0.000 0.621 198 A CB -1.031 17.695 19.000 -0.458 0.000 0.835 198 A HN 0.093 nan 8.150 nan 0.000 0.445 199 V N -1.568 117.927 119.914 -0.698 0.000 2.311 199 V HA -0.366 3.754 4.120 0.001 0.000 0.259 199 V C 2.347 178.207 176.094 -0.389 0.000 1.086 199 V CA 2.668 64.563 62.300 -0.676 0.000 1.078 199 V CB -0.976 30.512 31.823 -0.560 0.000 0.668 199 V HN 0.736 nan 8.190 nan 0.000 0.452 200 Y N 0.038 120.145 120.300 -0.321 0.000 2.517 200 Y HA 0.023 4.574 4.550 0.001 0.000 0.281 200 Y C 2.360 178.235 175.900 -0.041 0.000 1.125 200 Y CA 1.470 59.504 58.100 -0.109 0.000 1.283 200 Y CB 0.200 38.565 38.460 -0.158 0.000 1.042 200 Y HN 0.199 nan 8.280 nan 0.000 0.547 201 K N -0.151 120.105 120.400 -0.239 0.000 2.166 201 K HA -0.064 4.256 4.320 0.001 0.000 0.201 201 K C 2.138 178.581 176.600 -0.260 0.000 1.052 201 K CA 0.939 57.097 56.287 -0.216 0.000 0.969 201 K CB -0.283 32.118 32.500 -0.166 0.000 0.761 201 K HN 0.197 nan 8.250 nan 0.000 0.459 202 M N 0.161 119.466 119.600 -0.491 0.000 2.073 202 M HA -0.189 4.291 4.480 0.001 0.000 0.258 202 M C 1.469 177.625 176.300 -0.240 0.000 1.070 202 M CA 1.809 56.678 55.300 -0.718 0.000 1.103 202 M CB -0.580 31.200 32.600 -1.367 0.000 1.321 202 M HN 0.234 nan 8.290 nan 0.000 0.405 203 F N -0.337 119.443 119.950 -0.283 0.000 1.997 203 F HA -0.339 4.189 4.527 0.000 0.000 0.296 203 F C 2.609 178.326 175.800 -0.138 0.000 1.160 203 F CA 2.025 59.946 58.000 -0.131 0.000 1.176 203 F CB -0.961 37.897 39.000 -0.236 0.000 0.964 203 F HN 0.357 nan 8.300 nan 0.000 0.484 204 H N -0.080 118.850 119.070 -0.234 0.000 2.357 204 H HA -0.206 4.350 4.556 0.001 0.000 0.296 204 H C 1.858 177.174 175.328 -0.020 0.000 1.108 204 H CA 2.022 57.926 56.048 -0.240 0.000 1.273 204 H CB -0.417 29.119 29.762 -0.375 0.000 1.367 204 H HN 0.218 nan 8.280 nan 0.000 0.498 205 T N -2.642 112.002 114.554 0.150 0.000 3.366 205 T HA 0.181 4.531 4.350 0.001 0.000 0.249 205 T C 1.467 176.317 174.700 0.249 0.000 1.028 205 T CA 0.347 62.571 62.100 0.208 0.000 0.938 205 T CB 0.055 69.069 68.868 0.242 0.000 1.046 205 T HN 0.168 nan 8.240 nan 0.000 0.587 206 S N 0.318 116.162 115.700 0.239 0.000 2.398 206 S HA 0.074 4.544 4.470 0.001 0.000 0.220 206 S C 2.135 176.853 174.600 0.197 0.000 1.046 206 S CA 0.460 58.813 58.200 0.254 0.000 0.953 206 S CB -0.243 63.236 63.200 0.465 0.000 0.856 206 S HN 0.402 nan 8.310 nan 0.000 0.506 207 V N 3.735 123.755 119.914 0.176 0.000 2.277 207 V HA -0.182 3.939 4.120 0.001 0.000 0.255 207 V C -0.938 175.336 176.094 0.299 0.000 1.074 207 V CA 2.143 64.604 62.300 0.268 0.000 1.058 207 V CB -1.773 30.157 31.823 0.178 0.000 0.656 207 V HN 0.449 nan 8.190 nan 0.000 0.449 208 P HA 0.064 nan 4.420 nan 0.000 0.249 208 P C 0.839 178.298 177.300 0.264 0.000 1.229 208 P CA 0.882 64.132 63.100 0.251 0.000 0.788 208 P CB 0.009 31.802 31.700 0.156 0.000 1.072 209 L N -1.442 119.914 121.223 0.221 0.000 2.910 209 L HA 0.180 4.521 4.340 0.001 0.000 0.252 209 L C 1.571 178.661 176.870 0.367 0.000 1.195 209 L CA -0.233 54.735 54.840 0.213 0.000 1.003 209 L CB -0.040 41.906 42.059 -0.188 0.000 1.328 209 L HN -0.140 nan 8.230 nan 0.000 0.540 210 L N -0.095 121.336 121.223 0.348 0.000 2.145 210 L HA 0.094 4.434 4.340 0.001 0.000 0.201 210 L C 1.440 178.482 176.870 0.286 0.000 1.075 210 L CA 1.474 56.503 54.840 0.315 0.000 0.773 210 L CB -0.372 41.883 42.059 0.325 0.000 0.936 210 L HN 0.269 nan 8.230 nan 0.000 0.451 211 N N -0.329 118.569 118.700 0.329 0.000 2.451 211 N HA 0.206 4.947 4.740 0.001 0.000 0.264 211 N C -1.056 174.671 175.510 0.362 0.000 1.167 211 N CA 0.198 53.386 53.050 0.230 0.000 0.898 211 N CB 1.029 39.572 38.487 0.093 0.000 1.176 211 N HN -0.054 nan 8.380 nan 0.000 0.507 212 V N 0.888 121.017 119.914 0.357 0.000 2.817 212 V HA 0.319 4.439 4.120 0.001 0.000 0.303 212 V C -2.466 173.676 176.094 0.081 0.000 1.151 212 V CA -1.693 60.823 62.300 0.360 0.000 0.929 212 V CB 2.872 34.992 31.823 0.495 0.000 1.030 212 V HN -0.076 nan 8.190 nan 0.000 0.427 213 P HA 0.140 nan 4.420 nan 0.000 0.265 213 P C -1.881 175.030 177.300 -0.648 0.000 1.193 213 P CA -0.840 62.134 63.100 -0.209 0.000 0.765 213 P CB 0.489 32.134 31.700 -0.093 0.000 0.823 214 P HA -0.191 nan 4.420 nan 0.000 0.216 214 P C 1.087 177.708 177.300 -1.132 0.000 1.153 214 P CA 1.640 63.778 63.100 -1.604 0.000 0.848 214 P CB -0.044 31.180 31.700 -0.793 0.000 0.787 215 E N -0.270 119.538 120.200 -0.654 0.000 2.409 215 E HA -0.100 4.250 4.350 0.001 0.000 0.198 215 E C 1.620 177.963 176.600 -0.429 0.000 1.024 215 E CA 0.564 56.664 56.400 -0.501 0.000 0.861 215 E CB -0.941 28.553 29.700 -0.342 0.000 0.788 215 E HN 0.227 nan 8.360 nan 0.000 0.521 216 L N 0.265 121.216 121.223 -0.452 0.000 2.592 216 L HA 0.099 4.439 4.340 0.001 0.000 0.227 216 L C 1.354 178.077 176.870 -0.245 0.000 1.127 216 L CA 0.307 54.937 54.840 -0.350 0.000 0.884 216 L CB -0.430 41.470 42.059 -0.265 0.000 1.065 216 L HN -0.075 nan 8.230 nan 0.000 0.457 217 Y N 0.070 120.173 120.300 -0.328 0.000 2.145 217 Y HA -0.158 4.392 4.550 0.001 0.000 0.286 217 Y C 2.235 178.057 175.900 -0.129 0.000 1.145 217 Y CA 1.037 58.960 58.100 -0.295 0.000 1.148 217 Y CB -0.527 37.477 38.460 -0.761 0.000 0.981 217 Y HN 0.089 nan 8.280 nan 0.000 0.507 218 R N -0.130 120.374 120.500 0.007 0.000 2.366 218 R HA -0.047 4.293 4.340 0.001 0.000 0.201 218 R C 1.128 177.458 176.300 0.049 0.000 1.057 218 R CA 0.639 56.798 56.100 0.098 0.000 1.086 218 R CB -0.285 30.057 30.300 0.071 0.000 0.914 218 R HN 0.330 nan 8.270 nan 0.000 0.476 219 L N -3.023 118.196 121.223 -0.006 0.000 2.753 219 L HA 0.234 4.574 4.340 0.001 0.000 0.238 219 L C 0.787 177.733 176.870 0.127 0.000 1.028 219 L CA 0.684 55.490 54.840 -0.057 0.000 0.966 219 L CB 0.435 42.304 42.059 -0.316 0.000 1.681 219 L HN -0.040 nan 8.230 nan 0.000 0.511 220 F N 0.317 120.302 119.950 0.059 0.000 2.678 220 F HA 0.356 4.883 4.527 0.000 0.000 0.305 220 F C 0.529 176.370 175.800 0.068 0.000 1.090 220 F CA -0.360 57.669 58.000 0.049 0.000 1.272 220 F CB 0.542 39.567 39.000 0.042 0.000 1.060 220 F HN -0.090 nan 8.300 nan 0.000 0.576 221 R N 0.114 120.784 120.500 0.283 0.000 2.522 221 R HA 0.061 4.401 4.340 0.001 0.000 0.314 221 R C 1.140 177.575 176.300 0.224 0.000 1.178 221 R CA 0.438 56.669 56.100 0.217 0.000 1.294 221 R CB -0.254 30.171 30.300 0.209 0.000 1.345 221 R HN 0.153 nan 8.270 nan 0.000 0.710 222 T N -1.253 113.429 114.554 0.212 0.000 2.699 222 T HA -0.237 4.113 4.350 0.001 0.000 0.268 222 T C 1.785 176.615 174.700 0.217 0.000 1.036 222 T CA 1.321 63.560 62.100 0.232 0.000 1.147 222 T CB 0.214 69.189 68.868 0.179 0.000 0.862 222 T HN 0.258 nan 8.240 nan 0.000 0.446 223 K N 0.452 120.948 120.400 0.161 0.000 1.985 223 K HA -0.117 4.203 4.320 0.001 0.000 0.210 223 K C 2.556 179.241 176.600 0.141 0.000 1.047 223 K CA 1.875 58.239 56.287 0.129 0.000 0.932 223 K CB -0.662 31.897 32.500 0.097 0.000 0.716 223 K HN 0.391 nan 8.250 nan 0.000 0.439 224 T N 0.776 115.422 114.554 0.153 0.000 2.788 224 T HA -0.187 4.163 4.350 0.001 0.000 0.268 224 T C 1.200 176.025 174.700 0.208 0.000 1.044 224 T CA 1.311 63.504 62.100 0.156 0.000 1.139 224 T CB -0.306 68.643 68.868 0.135 0.000 0.867 224 T HN 0.491 nan 8.240 nan 0.000 0.454 225 W N 2.101 123.407 121.300 0.010 0.000 2.355 225 W HA -0.140 4.520 4.660 0.001 0.000 0.309 225 W C 2.470 179.085 176.519 0.159 0.000 1.206 225 W CA 0.989 58.340 57.345 0.010 0.000 1.284 225 W CB -0.259 29.204 29.460 0.005 0.000 1.145 225 W HN 0.136 nan 8.180 nan 0.000 0.502 226 R N 0.522 121.056 120.500 0.055 0.000 2.091 226 R HA -0.188 4.152 4.340 0.001 0.000 0.238 226 R C 1.641 177.899 176.300 -0.070 0.000 1.136 226 R CA 2.282 58.345 56.100 -0.061 0.000 0.959 226 R CB -0.532 29.799 30.300 0.052 0.000 0.856 226 R HN 0.007 nan 8.270 nan 0.000 0.437 227 D N -1.506 118.899 120.400 0.008 0.000 2.312 227 D HA -0.112 4.529 4.640 0.001 0.000 0.211 227 D C 1.350 177.638 176.300 -0.020 0.000 0.964 227 D CA 1.009 55.009 54.000 -0.000 0.000 0.877 227 D CB 0.030 40.853 40.800 0.039 0.000 0.924 227 D HN 0.450 nan 8.370 nan 0.000 0.515 228 H N -0.478 118.526 119.070 -0.110 0.000 2.451 228 H HA 0.103 4.660 4.556 0.001 0.000 0.294 228 H C 1.853 177.090 175.328 -0.153 0.000 1.028 228 H CA 0.657 56.644 56.048 -0.102 0.000 1.349 228 H CB 0.161 29.945 29.762 0.037 0.000 1.444 228 H HN -0.158 nan 8.280 nan 0.000 0.538 229 V N 1.023 120.809 119.914 -0.212 0.000 2.295 229 V HA -0.236 3.885 4.120 0.001 0.000 0.246 229 V C 2.700 178.728 176.094 -0.110 0.000 1.049 229 V CA 1.563 63.772 62.300 -0.152 0.000 1.024 229 V CB -1.211 30.431 31.823 -0.301 0.000 0.648 229 V HN 0.664 nan 8.190 nan 0.000 0.447 230 A N 0.416 123.153 122.820 -0.139 0.000 1.869 230 A HA -0.271 4.049 4.320 0.001 0.000 0.218 230 A C 2.449 179.934 177.584 -0.166 0.000 1.203 230 A CA 2.720 54.685 52.037 -0.121 0.000 0.638 230 A CB -1.096 17.847 19.000 -0.095 0.000 0.831 230 A HN 0.629 nan 8.150 nan 0.000 0.450 231 A N -2.314 120.353 122.820 -0.255 0.000 1.978 231 A HA -0.174 4.146 4.320 0.001 0.000 0.220 231 A C 2.001 179.285 177.584 -0.499 0.000 1.170 231 A CA 1.413 53.217 52.037 -0.388 0.000 0.636 231 A CB -0.786 17.925 19.000 -0.482 0.000 0.810 231 A HN 0.785 nan 8.150 nan 0.000 0.448 232 W N -0.191 120.776 121.300 -0.555 0.000 2.443 232 W HA -0.037 4.624 4.660 0.001 0.000 0.296 232 W C 1.875 178.161 176.519 -0.388 0.000 1.202 232 W CA 0.530 57.461 57.345 -0.691 0.000 1.312 232 W CB 0.070 28.696 29.460 -1.391 0.000 1.120 232 W HN 0.284 nan 8.180 nan 0.000 0.536 233 D N -0.301 120.105 120.400 0.011 0.000 2.133 233 D HA -0.235 4.406 4.640 0.001 0.000 0.192 233 D C 2.200 178.549 176.300 0.083 0.000 1.001 233 D CA 2.603 56.658 54.000 0.092 0.000 0.844 233 D CB -0.819 39.976 40.800 -0.007 0.000 0.944 233 D HN 0.219 nan 8.370 nan 0.000 0.447 234 T N -1.042 113.499 114.554 -0.021 0.000 2.812 234 T HA -0.055 4.295 4.350 0.001 0.000 0.264 234 T C 2.382 177.093 174.700 0.018 0.000 1.042 234 T CA 0.575 62.667 62.100 -0.014 0.000 1.140 234 T CB -0.620 68.204 68.868 -0.073 0.000 0.870 234 T HN 0.135 nan 8.240 nan 0.000 0.445 235 I N 0.027 120.513 120.570 -0.140 0.000 2.145 235 I HA -0.178 3.992 4.170 0.001 0.000 0.244 235 I C 2.369 178.544 176.117 0.096 0.000 1.075 235 I CA 1.861 63.039 61.300 -0.204 0.000 1.332 235 I CB -0.464 37.258 38.000 -0.463 0.000 1.033 235 I HN 0.154 nan 8.210 nan 0.000 0.410 236 F N 1.057 121.071 119.950 0.108 0.000 2.098 236 F HA -0.160 4.368 4.527 0.001 0.000 0.294 236 F C 2.315 178.207 175.800 0.153 0.000 1.107 236 F CA 1.914 60.008 58.000 0.157 0.000 1.234 236 F CB -0.717 38.369 39.000 0.144 0.000 1.002 236 F HN 0.071 nan 8.300 nan 0.000 0.472 237 N N -0.158 118.728 118.700 0.310 0.000 2.018 237 N HA -0.253 4.487 4.740 0.001 0.000 0.196 237 N C 1.736 177.355 175.510 0.181 0.000 1.043 237 N CA 1.380 54.546 53.050 0.192 0.000 0.856 237 N CB -0.209 38.347 38.487 0.114 0.000 1.042 237 N HN -0.014 nan 8.380 nan 0.000 0.423 238 K N 0.896 121.426 120.400 0.216 0.000 2.147 238 K HA 0.025 4.346 4.320 0.001 0.000 0.205 238 K C 1.616 178.419 176.600 0.338 0.000 1.049 238 K CA 0.978 57.409 56.287 0.240 0.000 0.936 238 K CB -0.221 32.510 32.500 0.385 0.000 0.722 238 K HN 0.213 nan 8.250 nan 0.000 0.446 239 A N -0.372 122.683 122.820 0.393 0.000 2.021 239 A HA -0.014 4.307 4.320 0.001 0.000 0.216 239 A C 1.997 179.757 177.584 0.293 0.000 1.163 239 A CA 1.158 53.410 52.037 0.359 0.000 0.676 239 A CB -0.314 18.880 19.000 0.322 0.000 0.818 239 A HN 0.334 nan 8.150 nan 0.000 0.453 240 E N 0.682 121.034 120.200 0.253 0.000 2.031 240 E HA -0.185 4.165 4.350 0.001 0.000 0.193 240 E C 1.975 178.671 176.600 0.161 0.000 0.994 240 E CA 1.821 58.347 56.400 0.211 0.000 0.800 240 E CB -0.204 29.615 29.700 0.199 0.000 0.752 240 E HN 0.529 nan 8.360 nan 0.000 0.447 241 K N -1.120 119.346 120.400 0.110 0.000 2.009 241 K HA -0.208 4.112 4.320 0.001 0.000 0.210 241 K C 2.136 178.762 176.600 0.044 0.000 1.049 241 K CA 1.616 57.918 56.287 0.025 0.000 0.929 241 K CB -0.355 32.103 32.500 -0.069 0.000 0.714 241 K HN 0.166 nan 8.250 nan 0.000 0.440 242 Y N 0.703 121.050 120.300 0.080 0.000 2.081 242 Y HA -0.269 4.281 4.550 0.001 0.000 0.280 242 Y C 2.813 178.767 175.900 0.090 0.000 1.163 242 Y CA 2.024 60.148 58.100 0.039 0.000 1.135 242 Y CB -1.015 37.437 38.460 -0.013 0.000 0.970 242 Y HN 0.172 nan 8.280 nan 0.000 0.498 243 T N -0.956 113.847 114.554 0.415 0.000 2.881 243 T HA -0.191 4.159 4.350 0.001 0.000 0.270 243 T C 1.820 176.768 174.700 0.413 0.000 1.068 243 T CA 1.511 63.924 62.100 0.522 0.000 1.131 243 T CB -0.168 68.968 68.868 0.446 0.000 0.871 243 T HN 0.365 nan 8.240 nan 0.000 0.479 244 E N 1.579 121.933 120.200 0.258 0.000 2.007 244 E HA -0.078 4.273 4.350 0.001 0.000 0.194 244 E C 1.780 178.479 176.600 0.164 0.000 0.999 244 E CA 1.592 58.085 56.400 0.156 0.000 0.811 244 E CB -0.519 29.219 29.700 0.063 0.000 0.762 244 E HN 0.791 nan 8.360 nan 0.000 0.450 245 I N -1.948 118.670 120.570 0.081 0.000 3.551 245 I HA 0.098 4.268 4.170 0.001 0.000 0.307 245 I C 0.474 176.461 176.117 -0.217 0.000 1.215 245 I CA 0.555 61.817 61.300 -0.063 0.000 1.195 245 I CB -0.262 37.642 38.000 -0.160 0.000 0.998 245 I HN -0.001 nan 8.210 nan 0.000 0.510 246 F N -1.009 118.992 119.950 0.085 0.000 2.729 246 F HA 0.138 4.665 4.527 0.000 0.000 0.304 246 F C 1.854 177.805 175.800 0.252 0.000 1.008 246 F CA -0.236 57.839 58.000 0.124 0.000 1.188 246 F CB -0.270 38.761 39.000 0.051 0.000 0.980 246 F HN -0.034 nan 8.300 nan 0.000 0.627 247 Y N 1.585 122.084 120.300 0.331 0.000 2.030 247 Y HA -0.352 4.199 4.550 0.001 0.000 0.274 247 Y C 2.590 178.585 175.900 0.158 0.000 1.153 247 Y CA 2.442 60.679 58.100 0.229 0.000 1.115 247 Y CB -0.640 37.925 38.460 0.175 0.000 0.969 247 Y HN 0.021 nan 8.280 nan 0.000 0.488 248 Q N 0.460 120.520 119.800 0.434 0.000 2.135 248 Q HA -0.224 4.116 4.340 0.001 0.000 0.204 248 Q C 2.123 178.203 176.000 0.134 0.000 0.981 248 Q CA 1.942 57.901 55.803 0.260 0.000 0.856 248 Q CB -0.623 28.207 28.738 0.153 0.000 0.902 248 Q HN 0.628 nan 8.270 nan 0.000 0.425 249 D N -0.497 119.959 120.400 0.092 0.000 2.133 249 D HA -0.190 4.451 4.640 0.001 0.000 0.195 249 D C 1.505 177.872 176.300 0.111 0.000 0.997 249 D CA 1.196 55.233 54.000 0.062 0.000 0.840 249 D CB 0.077 40.883 40.800 0.009 0.000 0.947 249 D HN 0.328 nan 8.370 nan 0.000 0.452 250 L N -0.214 121.092 121.223 0.137 0.000 2.270 250 L HA 0.046 4.386 4.340 0.001 0.000 0.210 250 L C 2.646 179.541 176.870 0.042 0.000 1.104 250 L CA 0.241 55.150 54.840 0.114 0.000 0.804 250 L CB -0.238 41.922 42.059 0.169 0.000 0.937 250 L HN -0.087 nan 8.230 nan 0.000 0.450 251 R N 0.547 121.072 120.500 0.042 0.000 2.148 251 R HA -0.044 4.296 4.340 0.001 0.000 0.223 251 R C 2.293 178.627 176.300 0.056 0.000 1.088 251 R CA 1.211 57.340 56.100 0.050 0.000 0.985 251 R CB -0.099 30.309 30.300 0.181 0.000 0.880 251 R HN 0.203 nan 8.270 nan 0.000 0.451 252 R N -0.271 120.264 120.500 0.058 0.000 2.057 252 R HA -0.021 4.319 4.340 0.001 0.000 0.229 252 R C 0.553 176.865 176.300 0.021 0.000 1.136 252 R CA 1.585 57.711 56.100 0.044 0.000 0.952 252 R CB -0.009 30.320 30.300 0.048 0.000 0.848 252 R HN 0.030 nan 8.270 nan 0.000 0.430 253 K N -0.026 120.377 120.400 0.005 0.000 2.895 253 K HA 0.010 4.330 4.320 0.001 0.000 0.161 253 K C -1.575 174.887 176.600 -0.230 0.000 1.587 253 K CA 0.086 56.332 56.287 -0.068 0.000 0.644 253 K CB -0.453 32.025 32.500 -0.037 0.000 1.239 253 K HN -0.147 nan 8.250 nan 0.000 0.381 254 T N 1.222 115.647 114.554 -0.215 0.000 2.775 254 T HA 0.063 4.413 4.350 0.001 0.000 0.281 254 T C 0.665 174.982 174.700 -0.639 0.000 0.908 254 T CA 0.237 62.015 62.100 -0.536 0.000 1.123 254 T CB 0.952 69.742 68.868 -0.130 0.000 0.879 254 T HN 0.481 nan 8.240 nan 0.000 0.547 255 E N 2.885 122.433 120.200 -1.087 0.000 2.330 255 E HA 0.084 4.434 4.350 0.001 0.000 0.200 255 E C -0.153 176.169 176.600 -0.463 0.000 0.922 255 E CA -0.171 55.885 56.400 -0.574 0.000 0.935 255 E CB 0.233 29.694 29.700 -0.398 0.000 0.917 255 E HN 0.721 nan 8.360 nan 0.000 0.491 256 F N 3.294 123.194 119.950 -0.083 0.000 2.447 256 F HA 0.086 4.613 4.527 0.001 0.000 0.339 256 F C 0.187 175.884 175.800 -0.171 0.000 1.196 256 F CA -0.550 57.384 58.000 -0.110 0.000 0.969 256 F CB -0.612 38.319 39.000 -0.114 0.000 1.106 256 F HN -0.116 nan 8.300 nan 0.000 0.594 257 R N 1.780 122.261 120.500 -0.031 0.000 2.598 257 R HA 0.711 5.051 4.340 0.001 0.000 0.279 257 R C -0.340 175.966 176.300 0.009 0.000 0.984 257 R CA -0.845 55.224 56.100 -0.052 0.000 0.999 257 R CB 0.720 30.994 30.300 -0.043 0.000 1.114 257 R HN 0.690 nan 8.270 nan 0.000 0.493 258 N N -1.655 117.091 118.700 0.078 0.000 3.157 258 N HA -0.053 4.687 4.740 0.001 0.000 0.170 258 N C -1.244 174.383 175.510 0.194 0.000 1.192 258 N CA -0.394 52.713 53.050 0.094 0.000 2.570 258 N CB -0.966 37.542 38.487 0.035 0.000 1.145 258 N HN 0.726 nan 8.380 nan 0.000 0.789 259 Y N -1.112 119.172 120.300 -0.028 0.000 2.536 259 Y HA 0.870 5.420 4.550 0.000 0.000 0.347 259 Y C -2.485 173.411 175.900 -0.006 0.000 1.000 259 Y CA -2.741 55.359 58.100 0.001 0.000 1.051 259 Y CB 1.207 39.678 38.460 0.019 0.000 1.259 259 Y HN -0.273 nan 8.280 nan 0.000 0.468 260 P HA 0.034 nan 4.420 nan 0.000 0.243 260 P C 0.540 177.648 177.300 -0.319 0.000 1.134 260 P CA 0.774 63.716 63.100 -0.263 0.000 1.109 260 P CB 0.221 31.828 31.700 -0.155 0.000 1.140 261 G N 2.275 110.497 108.800 -0.963 0.000 3.126 261 G HA2 0.081 4.041 3.960 0.001 0.000 0.224 261 G HA3 0.081 4.041 3.960 0.001 0.000 0.224 261 G C 0.941 175.693 174.900 -0.247 0.000 1.142 261 G CA -0.123 44.660 45.100 -0.528 0.000 0.759 261 G HN 0.365 nan 8.290 nan 0.000 0.550 262 I N -0.556 119.898 120.570 -0.193 0.000 4.701 262 I HA -0.344 3.826 4.170 0.001 0.000 0.046 262 I C 2.130 178.168 176.117 -0.132 0.000 0.626 262 I CA 1.903 63.122 61.300 -0.135 0.000 0.723 262 I CB -1.740 36.144 38.000 -0.194 0.000 0.675 262 I HN 0.336 nan 8.210 nan 0.000 0.157 263 L N 0.641 121.760 121.223 -0.174 0.000 2.081 263 L HA -0.232 4.108 4.340 0.001 0.000 0.212 263 L C 2.520 179.402 176.870 0.020 0.000 1.080 263 L CA 2.610 57.401 54.840 -0.081 0.000 0.754 263 L CB -0.857 41.175 42.059 -0.045 0.000 0.893 263 L HN 0.487 nan 8.230 nan 0.000 0.433 264 Y N -0.245 120.019 120.300 -0.060 0.000 2.070 264 Y HA -0.300 4.251 4.550 0.001 0.000 0.279 264 Y C 2.698 178.550 175.900 -0.080 0.000 1.134 264 Y CA 2.018 60.094 58.100 -0.040 0.000 1.113 264 Y CB -0.877 37.584 38.460 0.002 0.000 0.981 264 Y HN 0.369 nan 8.280 nan 0.000 0.487 265 C N 0.762 120.062 119.300 0.000 0.000 2.359 265 C HA -0.274 4.186 4.460 0.001 0.000 0.277 265 C C 2.690 177.594 174.990 -0.143 0.000 1.192 265 C CA 1.440 60.414 59.018 -0.073 0.000 1.759 265 C CB -1.769 25.941 27.740 -0.050 0.000 2.038 265 C HN 0.616 nan 8.230 nan 0.000 0.448 266 L N 0.219 121.376 121.223 -0.110 0.000 2.556 266 L HA -0.158 4.182 4.340 0.001 0.000 0.230 266 L C 2.349 179.151 176.870 -0.114 0.000 1.163 266 L CA 0.853 55.633 54.840 -0.099 0.000 0.819 266 L CB -0.535 41.479 42.059 -0.075 0.000 0.939 266 L HN 0.495 nan 8.230 nan 0.000 0.452 267 L N -1.235 119.880 121.223 -0.180 0.000 2.269 267 L HA -0.000 4.340 4.340 0.001 0.000 0.200 267 L C 1.524 178.233 176.870 -0.268 0.000 1.069 267 L CA 0.372 55.087 54.840 -0.208 0.000 0.804 267 L CB 0.045 41.957 42.059 -0.246 0.000 0.987 267 L HN -0.015 nan 8.230 nan 0.000 0.468 268 K N 0.308 120.460 120.400 -0.414 0.000 2.790 268 K HA 0.020 4.341 4.320 0.001 0.000 0.229 268 K C 1.179 177.662 176.600 -0.194 0.000 1.040 268 K CA 0.207 56.276 56.287 -0.364 0.000 1.211 268 K CB -0.232 31.920 32.500 -0.579 0.000 1.002 268 K HN 0.210 nan 8.250 nan 0.000 0.479 269 S N -1.546 114.063 115.700 -0.152 0.000 2.649 269 S HA 0.061 4.531 4.470 0.001 0.000 0.246 269 S C 0.203 174.756 174.600 -0.078 0.000 1.057 269 S CA -0.180 57.960 58.200 -0.099 0.000 1.051 269 S CB 0.071 63.221 63.200 -0.083 0.000 1.018 269 S HN 0.222 nan 8.310 nan 0.000 0.569 270 E N 0.525 120.678 120.200 -0.079 0.000 3.313 270 E HA -0.257 4.093 4.350 0.001 0.000 0.283 270 E C 0.866 177.439 176.600 -0.045 0.000 0.941 270 E CA 1.428 57.794 56.400 -0.055 0.000 0.907 270 E CB -1.752 27.920 29.700 -0.047 0.000 1.458 270 E HN 0.451 nan 8.360 nan 0.000 0.463 271 K N -0.240 120.128 120.400 -0.053 0.000 2.001 271 K HA 0.138 4.458 4.320 0.001 0.000 0.208 271 K C 1.103 177.675 176.600 -0.046 0.000 1.048 271 K CA 1.276 57.533 56.287 -0.051 0.000 0.932 271 K CB 0.063 32.526 32.500 -0.061 0.000 0.715 271 K HN 0.344 nan 8.250 nan 0.000 0.437 272 M N 1.051 120.623 119.600 -0.047 0.000 2.342 272 M HA 0.263 4.743 4.480 0.001 0.000 0.332 272 M C -0.933 175.358 176.300 -0.016 0.000 1.166 272 M CA -1.052 54.227 55.300 -0.034 0.000 1.086 272 M CB 0.782 33.359 32.600 -0.038 0.000 1.541 272 M HN -0.009 nan 8.290 nan 0.000 0.462 273 L N 1.091 122.315 121.223 0.001 0.000 2.298 273 L HA 0.521 4.862 4.340 0.001 0.000 0.268 273 L C 0.620 177.515 176.870 0.043 0.000 1.010 273 L CA -0.661 54.191 54.840 0.019 0.000 0.812 273 L CB -0.235 41.835 42.059 0.018 0.000 1.331 273 L HN 0.789 nan 8.230 nan 0.000 0.450 274 L N -0.582 120.677 121.223 0.060 0.000 2.013 274 L HA -0.275 4.065 4.340 0.001 0.000 0.239 274 L C 2.430 179.349 176.870 0.082 0.000 1.100 274 L CA 2.273 57.163 54.840 0.083 0.000 0.826 274 L CB -0.562 41.541 42.059 0.074 0.000 0.921 274 L HN 1.035 nan 8.230 nan 0.000 0.445 275 E N -0.416 119.827 120.200 0.072 0.000 2.492 275 E HA -0.252 4.098 4.350 0.001 0.000 0.204 275 E C 0.803 177.462 176.600 0.099 0.000 1.073 275 E CA 1.357 57.807 56.400 0.085 0.000 0.887 275 E CB 0.035 29.777 29.700 0.071 0.000 0.813 275 E HN 0.525 nan 8.360 nan 0.000 0.562 276 D N -1.850 118.598 120.400 0.080 0.000 2.454 276 D HA 0.008 4.648 4.640 0.001 0.000 0.219 276 D C 1.584 177.921 176.300 0.062 0.000 1.081 276 D CA 0.150 54.192 54.000 0.070 0.000 0.867 276 D CB 0.683 41.506 40.800 0.038 0.000 1.054 276 D HN -0.005 nan 8.370 nan 0.000 0.500 277 V N 1.712 121.666 119.914 0.066 0.000 2.331 277 V HA -0.139 3.981 4.120 0.001 0.000 0.242 277 V C 1.908 178.051 176.094 0.082 0.000 1.034 277 V CA 1.429 63.763 62.300 0.056 0.000 1.027 277 V CB -0.510 31.348 31.823 0.058 0.000 0.667 277 V HN 0.248 nan 8.190 nan 0.000 0.457 278 K N 1.335 121.808 120.400 0.121 0.000 2.589 278 K HA 0.212 4.532 4.320 0.001 0.000 0.192 278 K C 1.466 178.167 176.600 0.167 0.000 1.029 278 K CA 1.062 57.439 56.287 0.150 0.000 1.031 278 K CB -0.083 32.519 32.500 0.169 0.000 0.821 278 K HN 0.378 nan 8.250 nan 0.000 0.502 279 A N 1.248 124.157 122.820 0.148 0.000 1.984 279 A HA 0.088 4.408 4.320 0.001 0.000 0.203 279 A C 1.730 179.381 177.584 0.112 0.000 1.292 279 A CA 0.044 52.190 52.037 0.182 0.000 0.782 279 A CB -0.033 19.083 19.000 0.193 0.000 0.924 279 A HN 0.231 nan 8.150 nan 0.000 0.475 280 N N 0.344 119.083 118.700 0.065 0.000 2.376 280 N HA -0.012 4.728 4.740 0.001 0.000 0.177 280 N C 1.591 177.098 175.510 -0.006 0.000 1.024 280 N CA 0.818 53.881 53.050 0.021 0.000 0.893 280 N CB -0.040 38.444 38.487 -0.005 0.000 0.980 280 N HN 0.297 nan 8.380 nan 0.000 0.439 281 I N 1.658 122.226 120.570 -0.005 0.000 2.113 281 I HA -0.243 3.928 4.170 0.001 0.000 0.238 281 I C 2.723 178.829 176.117 -0.017 0.000 1.070 281 I CA 1.600 62.873 61.300 -0.044 0.000 1.332 281 I CB -1.773 36.211 38.000 -0.027 0.000 1.044 281 I HN 0.217 nan 8.210 nan 0.000 0.402 282 T N -1.169 113.398 114.554 0.021 0.000 2.737 282 T HA -0.236 4.114 4.350 0.001 0.000 0.269 282 T C 1.683 176.387 174.700 0.005 0.000 1.040 282 T CA 1.723 63.831 62.100 0.014 0.000 1.142 282 T CB -0.496 68.304 68.868 -0.113 0.000 0.861 282 T HN 0.415 nan 8.240 nan 0.000 0.456 283 E N 0.285 120.480 120.200 -0.009 0.000 2.107 283 E HA 0.059 4.409 4.350 0.001 0.000 0.191 283 E C 2.301 178.904 176.600 0.005 0.000 0.982 283 E CA 0.964 57.364 56.400 0.001 0.000 0.809 283 E CB -0.197 29.507 29.700 0.008 0.000 0.756 283 E HN 0.562 nan 8.360 nan 0.000 0.459 284 M N 0.341 119.933 119.600 -0.013 0.000 2.132 284 M HA -0.151 4.329 4.480 0.001 0.000 0.263 284 M C 2.196 178.487 176.300 -0.015 0.000 1.065 284 M CA 1.240 56.520 55.300 -0.032 0.000 1.122 284 M CB -0.148 32.397 32.600 -0.092 0.000 1.365 284 M HN 0.133 nan 8.290 nan 0.000 0.411 285 L N -0.147 121.077 121.223 0.002 0.000 1.955 285 L HA -0.206 4.134 4.340 0.001 0.000 0.213 285 L C 2.843 179.847 176.870 0.222 0.000 1.072 285 L CA 1.455 56.344 54.840 0.081 0.000 0.755 285 L CB -1.180 40.953 42.059 0.123 0.000 0.888 285 L HN 0.307 nan 8.230 nan 0.000 0.432 286 A N 0.398 123.350 122.820 0.221 0.000 1.971 286 A HA -0.252 4.068 4.320 0.001 0.000 0.222 286 A C 2.311 179.915 177.584 0.033 0.000 1.182 286 A CA 2.262 54.323 52.037 0.040 0.000 0.649 286 A CB -1.378 17.532 19.000 -0.150 0.000 0.818 286 A HN 0.557 nan 8.150 nan 0.000 0.458 287 G N -1.449 107.390 108.800 0.064 0.000 2.464 287 G HA2 0.183 4.143 3.960 0.001 0.000 0.217 287 G HA3 0.183 4.143 3.960 0.001 0.000 0.217 287 G C 1.411 176.381 174.900 0.116 0.000 1.138 287 G CA 1.047 46.208 45.100 0.101 0.000 0.793 287 G HN 0.745 nan 8.290 nan 0.000 0.539 288 G N 0.549 109.403 108.800 0.090 0.000 2.443 288 G HA2 -0.065 3.895 3.960 0.001 0.000 0.219 288 G HA3 -0.065 3.895 3.960 0.001 0.000 0.219 288 G C 1.648 176.618 174.900 0.116 0.000 1.131 288 G CA 1.180 46.321 45.100 0.068 0.000 0.775 288 G HN 0.310 nan 8.290 nan 0.000 0.547 289 V N 0.792 120.800 119.914 0.158 0.000 2.346 289 V HA -0.047 4.073 4.120 0.001 0.000 0.244 289 V C 2.198 178.332 176.094 0.068 0.000 1.037 289 V CA 1.956 64.348 62.300 0.154 0.000 1.029 289 V CB -0.320 31.595 31.823 0.152 0.000 0.663 289 V HN 0.288 nan 8.190 nan 0.000 0.454 290 N N -0.772 117.958 118.700 0.049 0.000 2.273 290 N HA -0.022 4.719 4.740 0.001 0.000 0.192 290 N C 1.760 177.330 175.510 0.100 0.000 1.132 290 N CA 0.912 53.948 53.050 -0.023 0.000 0.887 290 N CB 0.324 38.801 38.487 -0.017 0.000 1.048 290 N HN 0.613 nan 8.380 nan 0.000 0.490 291 T N -2.558 112.069 114.554 0.123 0.000 2.814 291 T HA -0.092 4.258 4.350 0.001 0.000 0.254 291 T C 2.078 176.856 174.700 0.130 0.000 1.037 291 T CA 1.714 63.886 62.100 0.119 0.000 1.143 291 T CB -1.006 67.949 68.868 0.145 0.000 0.866 291 T HN 0.215 nan 8.240 nan 0.000 0.431 292 T N 1.633 116.274 114.554 0.145 0.000 2.777 292 T HA -0.116 4.235 4.350 0.001 0.000 0.266 292 T C 2.331 177.081 174.700 0.083 0.000 1.040 292 T CA 1.493 63.672 62.100 0.132 0.000 1.141 292 T CB -1.056 67.903 68.868 0.152 0.000 0.868 292 T HN 0.513 nan 8.240 nan 0.000 0.444 293 S N 2.354 118.133 115.700 0.132 0.000 2.359 293 S HA -0.183 4.287 4.470 0.001 0.000 0.222 293 S C 2.062 176.685 174.600 0.039 0.000 1.038 293 S CA 1.607 59.873 58.200 0.110 0.000 1.051 293 S CB -0.855 62.567 63.200 0.371 0.000 0.944 293 S HN 0.295 nan 8.310 nan 0.000 0.433 294 M N 2.313 121.986 119.600 0.122 0.000 2.082 294 M HA -0.112 4.368 4.480 0.001 0.000 0.258 294 M C 2.257 178.636 176.300 0.131 0.000 1.069 294 M CA 1.951 57.297 55.300 0.076 0.000 1.102 294 M CB -1.365 31.321 32.600 0.144 0.000 1.336 294 M HN 0.478 nan 8.290 nan 0.000 0.404 295 T N -0.097 114.561 114.554 0.173 0.000 2.777 295 T HA -0.088 4.262 4.350 0.001 0.000 0.266 295 T C 1.670 176.472 174.700 0.170 0.000 1.040 295 T CA 0.999 63.235 62.100 0.227 0.000 1.141 295 T CB -0.374 68.584 68.868 0.150 0.000 0.868 295 T HN 0.172 nan 8.240 nan 0.000 0.444 296 L N 1.390 122.624 121.223 0.018 0.000 2.083 296 L HA -0.047 4.293 4.340 0.001 0.000 0.209 296 L C 2.611 179.424 176.870 -0.094 0.000 1.083 296 L CA 1.600 56.360 54.840 -0.134 0.000 0.752 296 L CB -1.202 40.576 42.059 -0.468 0.000 0.899 296 L HN 0.312 nan 8.230 nan 0.000 0.433 297 Q N -1.847 117.874 119.800 -0.132 0.000 2.096 297 Q HA -0.258 4.082 4.340 0.001 0.000 0.204 297 Q C 2.255 178.179 176.000 -0.127 0.000 0.982 297 Q CA 2.169 57.865 55.803 -0.178 0.000 0.850 297 Q CB -0.300 28.242 28.738 -0.326 0.000 0.901 297 Q HN 0.561 nan 8.270 nan 0.000 0.422 298 W N -0.489 120.764 121.300 -0.079 0.000 2.363 298 W HA -0.196 4.465 4.660 0.000 0.000 0.296 298 W C 2.485 179.002 176.519 -0.002 0.000 1.212 298 W CA 1.032 58.300 57.345 -0.129 0.000 1.260 298 W CB -0.328 28.980 29.460 -0.253 0.000 1.131 298 W HN 0.401 nan 8.180 nan 0.000 0.530 299 H N 0.656 119.834 119.070 0.180 0.000 2.293 299 H HA -0.163 4.393 4.556 0.000 0.000 0.300 299 H C 2.039 177.364 175.328 -0.005 0.000 1.082 299 H CA 2.188 58.287 56.048 0.086 0.000 1.308 299 H CB -0.549 29.289 29.762 0.127 0.000 1.375 299 H HN 0.125 nan 8.280 nan 0.000 0.495 300 L N -0.354 121.034 121.223 0.274 0.000 2.012 300 L HA -0.240 4.100 4.340 0.001 0.000 0.210 300 L C 2.693 179.576 176.870 0.022 0.000 1.073 300 L CA 1.770 56.697 54.840 0.147 0.000 0.748 300 L CB -0.965 41.160 42.059 0.110 0.000 0.891 300 L HN 0.248 nan 8.230 nan 0.000 0.431 301 Y N 1.075 121.316 120.300 -0.098 0.000 2.030 301 Y HA -0.362 4.188 4.550 0.001 0.000 0.272 301 Y C 2.663 178.487 175.900 -0.127 0.000 1.185 301 Y CA 2.090 60.114 58.100 -0.126 0.000 1.120 301 Y CB -0.143 38.221 38.460 -0.160 0.000 0.955 301 Y HN 0.161 nan 8.280 nan 0.000 0.495 302 E N 0.083 120.192 120.200 -0.151 0.000 2.077 302 E HA -0.225 4.125 4.350 0.001 0.000 0.193 302 E C 2.320 178.591 176.600 -0.549 0.000 0.989 302 E CA 1.695 57.797 56.400 -0.496 0.000 0.800 302 E CB -0.473 28.651 29.700 -0.960 0.000 0.746 302 E HN 0.652 nan 8.360 nan 0.000 0.452 303 M N 0.511 119.847 119.600 -0.439 0.000 2.082 303 M HA -0.206 4.275 4.480 0.001 0.000 0.258 303 M C 2.470 178.683 176.300 -0.145 0.000 1.069 303 M CA 1.805 56.995 55.300 -0.183 0.000 1.102 303 M CB -0.496 32.113 32.600 0.015 0.000 1.336 303 M HN 0.066 nan 8.290 nan 0.000 0.404 304 A N 0.305 123.010 122.820 -0.191 0.000 1.978 304 A HA -0.174 4.146 4.320 0.001 0.000 0.220 304 A C 2.132 179.585 177.584 -0.219 0.000 1.170 304 A CA 1.620 53.538 52.037 -0.199 0.000 0.636 304 A CB -0.648 18.215 19.000 -0.228 0.000 0.810 304 A HN 0.472 nan 8.150 nan 0.000 0.448 305 R N -0.499 119.815 120.500 -0.311 0.000 2.148 305 R HA 0.052 4.393 4.340 0.001 0.000 0.223 305 R C -0.043 176.196 176.300 -0.102 0.000 1.088 305 R CA 1.012 56.979 56.100 -0.221 0.000 0.985 305 R CB -0.002 30.144 30.300 -0.256 0.000 0.880 305 R HN 0.343 nan 8.270 nan 0.000 0.451 306 S N 0.899 116.546 115.700 -0.087 0.000 2.130 306 S HA 0.181 4.651 4.470 0.001 0.000 0.165 306 S C 0.647 175.262 174.600 0.026 0.000 1.677 306 S CA -0.408 57.796 58.200 0.007 0.000 1.227 306 S CB 0.969 64.226 63.200 0.096 0.000 1.115 306 S HN 0.039 nan 8.310 nan 0.000 0.452 307 L N 1.703 122.932 121.223 0.010 0.000 2.197 307 L HA -0.191 4.150 4.340 0.001 0.000 0.215 307 L C 2.158 179.062 176.870 0.057 0.000 1.095 307 L CA 1.569 56.425 54.840 0.027 0.000 0.764 307 L CB -0.713 41.354 42.059 0.013 0.000 0.897 307 L HN 0.427 nan 8.230 nan 0.000 0.436 308 N N -0.883 117.854 118.700 0.062 0.000 2.135 308 N HA -0.110 4.631 4.740 0.001 0.000 0.186 308 N C 1.842 177.411 175.510 0.097 0.000 1.027 308 N CA 0.934 54.026 53.050 0.071 0.000 0.849 308 N CB -0.029 38.497 38.487 0.064 0.000 1.002 308 N HN 0.024 nan 8.380 nan 0.000 0.425 309 V N 0.998 120.990 119.914 0.130 0.000 2.255 309 V HA -0.296 3.824 4.120 0.001 0.000 0.247 309 V C 2.356 178.560 176.094 0.184 0.000 1.051 309 V CA 1.857 64.266 62.300 0.181 0.000 1.018 309 V CB -0.764 31.244 31.823 0.308 0.000 0.641 309 V HN 0.439 nan 8.190 nan 0.000 0.445 310 Q N -0.286 119.613 119.800 0.165 0.000 2.047 310 Q HA -0.297 4.043 4.340 0.001 0.000 0.211 310 Q C 2.314 178.396 176.000 0.137 0.000 1.005 310 Q CA 2.410 58.306 55.803 0.156 0.000 0.866 310 Q CB -0.169 28.637 28.738 0.113 0.000 0.938 310 Q HN 0.600 nan 8.270 nan 0.000 0.414 311 E N 0.008 120.273 120.200 0.110 0.000 2.077 311 E HA -0.189 4.161 4.350 0.001 0.000 0.193 311 E C 2.059 178.715 176.600 0.095 0.000 0.989 311 E CA 1.321 57.779 56.400 0.098 0.000 0.800 311 E CB -0.292 29.456 29.700 0.081 0.000 0.746 311 E HN 0.530 nan 8.360 nan 0.000 0.452 312 M N 0.045 119.703 119.600 0.097 0.000 2.115 312 M HA -0.227 4.253 4.480 0.001 0.000 0.258 312 M C 2.234 178.593 176.300 0.098 0.000 1.071 312 M CA 1.444 56.798 55.300 0.090 0.000 1.100 312 M CB -0.495 32.159 32.600 0.091 0.000 1.292 312 M HN 0.073 nan 8.290 nan 0.000 0.415 313 L N -0.311 120.988 121.223 0.126 0.000 2.261 313 L HA -0.153 4.187 4.340 0.001 0.000 0.216 313 L C 2.408 179.343 176.870 0.109 0.000 1.114 313 L CA 1.558 56.479 54.840 0.134 0.000 0.777 313 L CB -0.891 41.285 42.059 0.196 0.000 0.910 313 L HN 0.238 nan 8.230 nan 0.000 0.440 314 R N -0.472 120.091 120.500 0.104 0.000 2.062 314 R HA -0.125 4.215 4.340 0.001 0.000 0.231 314 R C 2.190 178.527 176.300 0.062 0.000 1.136 314 R CA 1.089 57.240 56.100 0.084 0.000 0.948 314 R CB 0.001 30.356 30.300 0.092 0.000 0.845 314 R HN 0.281 nan 8.270 nan 0.000 0.430 315 E N 0.620 120.858 120.200 0.064 0.000 2.065 315 E HA -0.274 4.076 4.350 0.001 0.000 0.201 315 E C 1.807 178.433 176.600 0.043 0.000 1.016 315 E CA 1.619 58.050 56.400 0.050 0.000 0.818 315 E CB -0.275 29.456 29.700 0.052 0.000 0.749 315 E HN 0.332 nan 8.360 nan 0.000 0.453 316 E N 0.474 120.705 120.200 0.051 0.000 2.130 316 E HA -0.147 4.203 4.350 0.001 0.000 0.196 316 E C 2.000 178.619 176.600 0.032 0.000 0.998 316 E CA 1.117 57.543 56.400 0.044 0.000 0.806 316 E CB -0.009 29.725 29.700 0.056 0.000 0.738 316 E HN 0.045 nan 8.360 nan 0.000 0.459 317 V N -0.108 119.824 119.914 0.031 0.000 2.649 317 V HA -0.079 4.042 4.120 0.001 0.000 0.248 317 V C 1.918 178.010 176.094 -0.003 0.000 1.054 317 V CA 0.942 63.247 62.300 0.009 0.000 1.073 317 V CB -0.143 31.683 31.823 0.005 0.000 0.699 317 V HN 0.260 nan 8.190 nan 0.000 0.463 318 L N 0.133 121.361 121.223 0.008 0.000 2.492 318 L HA 0.137 4.477 4.340 0.001 0.000 0.223 318 L C 1.646 178.517 176.870 0.002 0.000 1.132 318 L CA 1.391 56.231 54.840 0.000 0.000 0.850 318 L CB -0.602 41.462 42.059 0.009 0.000 0.966 318 L HN 0.302 nan 8.230 nan 0.000 0.454 319 N N -1.487 117.218 118.700 0.008 0.000 2.415 319 N HA 0.122 4.863 4.740 0.001 0.000 0.174 319 N C 1.716 177.229 175.510 0.005 0.000 1.048 319 N CA 0.842 53.897 53.050 0.009 0.000 0.895 319 N CB 0.080 38.577 38.487 0.016 0.000 1.036 319 N HN 0.259 nan 8.380 nan 0.000 0.449 320 A N 0.279 123.100 122.820 0.003 0.000 2.021 320 A HA 0.083 4.403 4.320 0.001 0.000 0.216 320 A C 2.101 179.680 177.584 -0.008 0.000 1.163 320 A CA 0.790 52.826 52.037 -0.001 0.000 0.676 320 A CB -0.158 18.843 19.000 0.000 0.000 0.818 320 A HN 0.043 nan 8.150 nan 0.000 0.453 321 R N 0.430 120.921 120.500 -0.015 0.000 2.075 321 R HA -0.057 4.283 4.340 0.001 0.000 0.232 321 R C 2.236 178.529 176.300 -0.011 0.000 1.126 321 R CA 2.030 58.119 56.100 -0.018 0.000 0.963 321 R CB -0.478 29.807 30.300 -0.026 0.000 0.858 321 R HN 0.557 nan 8.270 nan 0.000 0.435 322 R N -0.308 120.187 120.500 -0.009 0.000 2.062 322 R HA 0.018 4.359 4.340 0.001 0.000 0.226 322 R C 1.828 178.127 176.300 -0.003 0.000 1.125 322 R CA 1.237 57.333 56.100 -0.006 0.000 0.966 322 R CB -0.122 30.174 30.300 -0.006 0.000 0.861 322 R HN 0.282 nan 8.270 nan 0.000 0.433 323 Q N -0.739 119.060 119.800 -0.001 0.000 2.541 323 Q HA -0.021 4.319 4.340 0.001 0.000 0.215 323 Q C 0.485 176.486 176.000 0.001 0.000 0.977 323 Q CA 0.935 56.739 55.803 0.002 0.000 0.934 323 Q CB 0.573 29.314 28.738 0.004 0.000 0.988 323 Q HN 0.427 nan 8.270 nan 0.000 0.521 324 A N 0.612 123.431 122.820 -0.001 0.000 2.635 324 A HA 0.087 4.407 4.320 0.001 0.000 0.279 324 A C -0.321 177.262 177.584 -0.001 0.000 1.122 324 A CA -0.355 51.682 52.037 -0.001 0.000 0.965 324 A CB 0.176 19.176 19.000 -0.001 0.000 1.221 324 A HN 0.442 nan 8.150 nan 0.000 0.566 325 E N -0.957 119.242 120.200 -0.002 0.000 2.272 325 E HA -0.178 4.173 4.350 0.001 0.000 0.160 325 E C 0.911 177.511 176.600 -0.000 0.000 1.627 325 E CA 0.610 57.008 56.400 -0.002 0.000 0.641 325 E CB -2.171 27.528 29.700 -0.002 0.000 1.060 325 E HN 1.852 nan 8.360 nan 0.000 0.324 326 G N 1.944 110.744 108.800 -0.000 0.000 5.064 326 G HA2 -0.387 3.573 3.960 0.001 0.000 0.277 326 G HA3 -0.387 3.573 3.960 0.001 0.000 0.277 326 G C 0.067 174.972 174.900 0.010 0.000 1.580 326 G CA 0.212 45.315 45.100 0.005 0.000 1.109 326 G HN 0.770 nan 8.290 nan 0.000 0.695 327 D N 0.759 121.166 120.400 0.010 0.000 2.515 327 D HA 0.272 4.912 4.640 0.001 0.000 0.232 327 D C 1.470 177.778 176.300 0.013 0.000 1.157 327 D CA 0.792 54.801 54.000 0.015 0.000 0.871 327 D CB 0.539 41.346 40.800 0.012 0.000 1.200 327 D HN 0.404 nan 8.370 nan 0.000 0.466 328 I N 1.981 122.564 120.570 0.022 0.000 2.494 328 I HA -0.111 4.060 4.170 0.001 0.000 0.250 328 I C 2.010 178.134 176.117 0.012 0.000 1.112 328 I CA 0.814 62.123 61.300 0.015 0.000 1.438 328 I CB -0.168 37.857 38.000 0.042 0.000 1.111 328 I HN 0.439 nan 8.210 nan 0.000 0.431 329 S N 1.941 117.652 115.700 0.018 0.000 2.387 329 S HA -0.220 4.251 4.470 0.001 0.000 0.230 329 S C 1.930 176.533 174.600 0.006 0.000 1.035 329 S CA 1.815 60.022 58.200 0.013 0.000 1.014 329 S CB -0.513 62.693 63.200 0.010 0.000 0.836 329 S HN 0.546 nan 8.310 nan 0.000 0.466 330 K N 2.038 122.440 120.400 0.004 0.000 2.228 330 K HA 0.032 4.352 4.320 0.001 0.000 0.202 330 K C 1.977 178.578 176.600 0.001 0.000 1.051 330 K CA 1.068 57.356 56.287 0.002 0.000 0.960 330 K CB -0.615 31.886 32.500 0.001 0.000 0.743 330 K HN 0.635 nan 8.250 nan 0.000 0.458 331 M N -0.185 119.414 119.600 -0.001 0.000 2.558 331 M HA 0.163 4.644 4.480 0.001 0.000 0.255 331 M C 1.348 177.646 176.300 -0.003 0.000 1.113 331 M CA 0.827 56.125 55.300 -0.004 0.000 1.097 331 M CB -0.208 32.384 32.600 -0.013 0.000 1.426 331 M HN -0.121 nan 8.290 nan 0.000 0.488 332 L N 0.864 122.087 121.223 0.000 0.000 2.700 332 L HA -0.018 4.322 4.340 0.001 0.000 0.240 332 L C 1.318 178.194 176.870 0.010 0.000 1.162 332 L CA 0.507 55.351 54.840 0.006 0.000 0.874 332 L CB -0.429 41.637 42.059 0.011 0.000 1.001 332 L HN 0.556 nan 8.230 nan 0.000 0.447 333 Q N -1.283 118.523 119.800 0.009 0.000 2.093 333 Q HA 0.208 4.549 4.340 0.001 0.000 0.217 333 Q C 0.781 176.789 176.000 0.014 0.000 0.785 333 Q CA 0.117 55.926 55.803 0.011 0.000 1.038 333 Q CB 1.293 30.034 28.738 0.007 0.000 1.190 333 Q HN 0.401 nan 8.270 nan 0.000 0.468 334 M N 0.694 120.302 119.600 0.014 0.000 2.504 334 M HA 0.108 4.589 4.480 0.001 0.000 0.370 334 M C -0.097 176.216 176.300 0.022 0.000 1.110 334 M CA 0.139 55.449 55.300 0.016 0.000 0.938 334 M CB 1.136 33.742 32.600 0.011 0.000 1.460 334 M HN -0.091 nan 8.290 nan 0.000 0.535 335 V N -2.208 117.722 119.914 0.026 0.000 2.611 335 V HA 0.464 4.584 4.120 0.001 0.000 0.286 335 V C -2.233 173.891 176.094 0.051 0.000 1.118 335 V CA -1.252 61.069 62.300 0.036 0.000 1.334 335 V CB -0.851 30.989 31.823 0.030 0.000 1.555 335 V HN 0.071 nan 8.190 nan 0.000 0.594 336 P HA -0.140 nan 4.420 nan 0.000 0.215 336 P C 1.916 179.266 177.300 0.082 0.000 1.157 336 P CA 1.294 64.433 63.100 0.065 0.000 0.868 336 P CB 0.385 32.121 31.700 0.060 0.000 0.788 337 L N -1.513 119.758 121.223 0.081 0.000 2.131 337 L HA -0.166 4.174 4.340 0.001 0.000 0.210 337 L C 2.325 179.263 176.870 0.112 0.000 1.092 337 L CA 1.081 55.977 54.840 0.093 0.000 0.759 337 L CB -0.611 41.499 42.059 0.085 0.000 0.903 337 L HN 0.004 nan 8.230 nan 0.000 0.435 338 L N 0.102 121.391 121.223 0.110 0.000 2.007 338 L HA -0.197 4.143 4.340 0.001 0.000 0.205 338 L C 2.416 179.367 176.870 0.135 0.000 1.073 338 L CA 1.757 56.679 54.840 0.137 0.000 0.744 338 L CB -0.510 41.610 42.059 0.102 0.000 0.898 338 L HN -0.035 nan 8.230 nan 0.000 0.435 339 K N -0.098 120.360 120.400 0.097 0.000 2.286 339 K HA -0.067 4.253 4.320 0.001 0.000 0.203 339 K C 1.793 178.437 176.600 0.074 0.000 1.045 339 K CA 1.359 57.695 56.287 0.083 0.000 0.935 339 K CB -0.414 32.124 32.500 0.064 0.000 0.737 339 K HN 0.521 nan 8.250 nan 0.000 0.460 340 A N -0.653 122.218 122.820 0.085 0.000 2.044 340 A HA -0.010 4.310 4.320 0.001 0.000 0.213 340 A C 1.970 179.549 177.584 -0.007 0.000 1.169 340 A CA 1.039 53.112 52.037 0.060 0.000 0.724 340 A CB -0.531 18.573 19.000 0.173 0.000 0.840 340 A HN 0.388 nan 8.150 nan 0.000 0.463 341 S N 0.361 116.100 115.700 0.065 0.000 2.440 341 S HA -0.107 4.363 4.470 0.001 0.000 0.238 341 S C 1.696 176.398 174.600 0.169 0.000 1.010 341 S CA 1.403 59.636 58.200 0.055 0.000 0.972 341 S CB -0.696 62.694 63.200 0.317 0.000 0.774 341 S HN 0.480 nan 8.310 nan 0.000 0.501 342 I N 0.684 121.370 120.570 0.193 0.000 2.761 342 I HA -0.024 4.147 4.170 0.001 0.000 0.261 342 I C 2.605 178.731 176.117 0.015 0.000 1.198 342 I CA 0.866 62.292 61.300 0.210 0.000 1.482 342 I CB -0.107 38.013 38.000 0.200 0.000 1.100 342 I HN 0.280 nan 8.210 nan 0.000 0.445 343 K N 0.531 120.799 120.400 -0.220 0.000 2.067 343 K HA -0.143 4.177 4.320 0.001 0.000 0.203 343 K C 1.992 178.176 176.600 -0.694 0.000 1.048 343 K CA 0.770 56.692 56.287 -0.608 0.000 0.954 343 K CB 0.015 31.877 32.500 -1.063 0.000 0.737 343 K HN -0.036 nan 8.250 nan 0.000 0.444 344 E N 0.574 120.460 120.200 -0.524 0.000 2.171 344 E HA -0.178 4.172 4.350 0.001 0.000 0.197 344 E C 1.540 178.142 176.600 0.003 0.000 0.997 344 E CA 1.777 58.091 56.400 -0.144 0.000 0.810 344 E CB -0.129 29.390 29.700 -0.300 0.000 0.738 344 E HN 0.129 nan 8.360 nan 0.000 0.467 345 T N 0.294 114.915 114.554 0.111 0.000 2.896 345 T HA -0.013 4.337 4.350 0.001 0.000 0.263 345 T C 1.353 176.067 174.700 0.023 0.000 1.050 345 T CA 0.638 62.865 62.100 0.212 0.000 1.140 345 T CB -0.020 69.026 68.868 0.298 0.000 0.877 345 T HN 0.097 nan 8.240 nan 0.000 0.457 346 L N 1.215 122.390 121.223 -0.080 0.000 2.291 346 L HA 0.104 4.445 4.340 0.001 0.000 0.214 346 L C 2.443 179.189 176.870 -0.207 0.000 1.120 346 L CA 1.264 56.005 54.840 -0.164 0.000 0.799 346 L CB -1.001 40.915 42.059 -0.238 0.000 0.925 346 L HN 0.254 nan 8.230 nan 0.000 0.446 347 R N 0.275 120.644 120.500 -0.219 0.000 2.055 347 R HA -0.112 4.228 4.340 0.001 0.000 0.228 347 R C 2.319 178.395 176.300 -0.374 0.000 1.143 347 R CA 1.115 57.070 56.100 -0.240 0.000 0.945 347 R CB -0.125 30.059 30.300 -0.193 0.000 0.841 347 R HN 0.248 nan 8.270 nan 0.000 0.429 348 L N -0.176 120.795 121.223 -0.421 0.000 2.201 348 L HA -0.093 4.247 4.340 0.001 0.000 0.212 348 L C 0.481 176.634 176.870 -1.197 0.000 1.105 348 L CA 0.830 55.203 54.840 -0.779 0.000 0.775 348 L CB -0.089 41.507 42.059 -0.771 0.000 0.913 348 L HN 0.356 nan 8.230 nan 0.000 0.440 349 H N -1.237 117.562 119.070 -0.450 0.000 2.562 349 H HA 0.289 4.845 4.556 0.000 0.000 0.230 349 H C -2.458 172.654 175.328 -0.360 0.000 1.415 349 H CA -1.586 54.085 56.048 -0.628 0.000 1.454 349 H CB 0.449 29.402 29.762 -1.349 0.000 1.716 349 H HN 0.014 nan 8.280 nan 0.000 0.538 350 P HA 0.158 nan 4.420 nan 0.000 0.276 350 P C 0.977 178.260 177.300 -0.028 0.000 1.261 350 P CA -0.486 62.557 63.100 -0.094 0.000 0.800 350 P CB 2.009 33.680 31.700 -0.049 0.000 1.066 351 I N -0.898 119.652 120.570 -0.033 0.000 3.081 351 I HA -0.015 4.155 4.170 0.001 0.000 0.274 351 I C 1.076 177.218 176.117 0.041 0.000 1.178 351 I CA 0.946 62.246 61.300 0.000 0.000 1.460 351 I CB -0.632 37.355 38.000 -0.023 0.000 1.137 351 I HN 0.310 nan 8.210 nan 0.000 0.443 352 S N 0.569 116.305 115.700 0.061 0.000 2.457 352 S HA 0.286 4.756 4.470 0.001 0.000 0.289 352 S C 0.805 175.495 174.600 0.150 0.000 1.163 352 S CA -0.525 57.751 58.200 0.127 0.000 1.078 352 S CB 2.515 65.790 63.200 0.126 0.000 0.987 352 S HN 0.050 nan 8.310 nan 0.000 0.482 353 V N 2.515 122.556 119.914 0.212 0.000 2.548 353 V HA 0.100 4.220 4.120 0.001 0.000 0.249 353 V C 0.880 177.077 176.094 0.171 0.000 1.055 353 V CA 2.234 64.678 62.300 0.241 0.000 1.065 353 V CB -0.580 31.424 31.823 0.302 0.000 0.681 353 V HN 1.176 nan 8.190 nan 0.000 0.462 354 T N -2.142 112.496 114.554 0.140 0.000 2.787 354 T HA 0.614 4.965 4.350 0.001 0.000 0.297 354 T C -1.077 173.691 174.700 0.114 0.000 1.221 354 T CA -0.802 61.347 62.100 0.081 0.000 1.006 354 T CB 1.735 70.608 68.868 0.009 0.000 1.328 354 T HN 0.159 nan 8.240 nan 0.000 0.509 355 L N 1.089 122.376 121.223 0.107 0.000 2.334 355 L HA 0.724 5.064 4.340 0.001 0.000 0.276 355 L C -0.641 176.264 176.870 0.059 0.000 1.014 355 L CA -1.049 53.878 54.840 0.145 0.000 0.815 355 L CB 1.853 44.062 42.059 0.251 0.000 1.268 355 L HN 0.620 nan 8.230 nan 0.000 0.428 356 Q N 2.656 122.496 119.800 0.067 0.000 2.342 356 Q HA 0.704 5.045 4.340 0.001 0.000 0.267 356 Q C -1.068 174.935 176.000 0.005 0.000 1.038 356 Q CA -0.766 55.023 55.803 -0.024 0.000 0.832 356 Q CB 2.288 31.044 28.738 0.030 0.000 1.323 356 Q HN 0.243 nan 8.270 nan 0.000 0.448 357 R N 1.668 122.099 120.500 -0.114 0.000 2.510 357 R HA 0.273 4.614 4.340 0.001 0.000 0.294 357 R C -1.347 174.894 176.300 -0.098 0.000 1.056 357 R CA -0.699 55.372 56.100 -0.049 0.000 0.918 357 R CB 0.959 31.158 30.300 -0.169 0.000 1.187 357 R HN 0.675 nan 8.270 nan 0.000 0.437 358 Y N 3.493 123.736 120.300 -0.095 0.000 2.730 358 Y HA 0.131 4.681 4.550 0.000 0.000 0.354 358 Y C -1.505 174.347 175.900 -0.080 0.000 1.139 358 Y CA -1.620 56.423 58.100 -0.095 0.000 1.516 358 Y CB -0.282 38.143 38.460 -0.058 0.000 1.204 358 Y HN 0.253 nan 8.280 nan 0.000 0.520 359 P HA -0.114 nan 4.420 nan 0.000 0.261 359 P C 0.874 178.215 177.300 0.068 0.000 1.173 359 P CA 0.371 63.483 63.100 0.020 0.000 0.760 359 P CB 0.736 32.397 31.700 -0.065 0.000 0.783 360 E N 1.544 121.800 120.200 0.094 0.000 2.110 360 E HA -0.163 4.188 4.350 0.001 0.000 0.193 360 E C 1.031 177.670 176.600 0.065 0.000 0.988 360 E CA 1.293 57.733 56.400 0.067 0.000 0.804 360 E CB 0.255 29.983 29.700 0.046 0.000 0.745 360 E HN 0.414 nan 8.360 nan 0.000 0.458 361 S N -1.368 114.398 115.700 0.110 0.000 4.149 361 S HA 0.199 4.670 4.470 0.001 0.000 0.195 361 S C -1.176 173.478 174.600 0.089 0.000 1.092 361 S CA -0.628 57.633 58.200 0.103 0.000 1.650 361 S CB 0.442 63.720 63.200 0.129 0.000 1.076 361 S HN 0.129 nan 8.310 nan 0.000 0.805 362 D N 0.768 121.252 120.400 0.139 0.000 2.581 362 D HA 0.630 5.270 4.640 0.001 0.000 0.232 362 D C -0.828 175.449 176.300 -0.038 0.000 1.143 362 D CA -0.381 53.628 54.000 0.016 0.000 0.881 362 D CB 2.000 42.806 40.800 0.009 0.000 1.500 362 D HN 0.638 nan 8.370 nan 0.000 0.458 363 L N -3.022 118.041 121.223 -0.266 0.000 2.933 363 L HA 0.736 5.077 4.340 0.001 0.000 0.271 363 L C -2.050 174.605 176.870 -0.358 0.000 1.071 363 L CA -0.862 53.652 54.840 -0.544 0.000 0.938 363 L CB 1.882 43.129 42.059 -1.353 0.000 1.534 363 L HN 0.181 nan 8.230 nan 0.000 0.396 364 V N 1.803 121.504 119.914 -0.354 0.000 2.577 364 V HA 0.639 4.759 4.120 0.001 0.000 0.303 364 V C -1.087 174.884 176.094 -0.205 0.000 1.042 364 V CA -0.308 61.892 62.300 -0.166 0.000 0.872 364 V CB 1.748 33.552 31.823 -0.031 0.000 0.998 364 V HN 0.553 nan 8.190 nan 0.000 0.423 365 L N 4.465 125.618 121.223 -0.117 0.000 2.376 365 L HA 0.591 4.932 4.340 0.001 0.000 0.275 365 L C 0.305 177.208 176.870 0.055 0.000 0.987 365 L CA 0.273 55.049 54.840 -0.107 0.000 0.828 365 L CB 1.777 43.711 42.059 -0.208 0.000 1.249 365 L HN 0.710 nan 8.230 nan 0.000 0.409 366 Q N 2.675 122.513 119.800 0.062 0.000 2.457 366 Q HA -0.277 4.063 4.340 0.001 0.000 0.283 366 Q C -0.266 175.881 176.000 0.245 0.000 1.234 366 Q CA 1.229 57.112 55.803 0.133 0.000 0.877 366 Q CB -1.291 27.527 28.738 0.133 0.000 1.250 366 Q HN 0.954 nan 8.270 nan 0.000 0.481 367 D N -1.076 119.398 120.400 0.123 0.000 2.956 367 D HA -0.208 4.432 4.640 0.001 0.000 0.240 367 D C -1.600 174.672 176.300 -0.046 0.000 1.141 367 D CA 1.071 55.082 54.000 0.018 0.000 0.820 367 D CB -0.875 39.889 40.800 -0.061 0.000 0.988 367 D HN 0.431 nan 8.370 nan 0.000 0.417 368 Y N 0.344 120.622 120.300 -0.036 0.000 2.313 368 Y HA 0.282 4.832 4.550 0.001 0.000 0.320 368 Y C -0.176 175.696 175.900 -0.047 0.000 1.171 368 Y CA -1.221 56.865 58.100 -0.023 0.000 1.093 368 Y CB 0.938 39.393 38.460 -0.008 0.000 1.224 368 Y HN 0.205 nan 8.280 nan 0.000 0.421 369 L N 5.195 126.473 121.223 0.092 0.000 2.525 369 L HA 0.367 4.708 4.340 0.001 0.000 0.278 369 L C -0.864 176.012 176.870 0.009 0.000 1.218 369 L CA 0.635 55.488 54.840 0.022 0.000 0.878 369 L CB -0.062 42.008 42.059 0.018 0.000 1.127 369 L HN 0.507 nan 8.230 nan 0.000 0.492 370 I N 7.339 127.840 120.570 -0.115 0.000 2.466 370 I HA 0.350 4.521 4.170 0.001 0.000 0.279 370 I C -2.033 173.915 176.117 -0.281 0.000 1.033 370 I CA -1.824 59.327 61.300 -0.249 0.000 1.123 370 I CB 1.286 39.116 38.000 -0.284 0.000 1.237 370 I HN 0.581 nan 8.210 nan 0.000 0.460 371 P HA 0.018 nan 4.420 nan 0.000 0.271 371 P C -0.151 177.028 177.300 -0.200 0.000 1.233 371 P CA -0.245 62.725 63.100 -0.217 0.000 0.795 371 P CB 0.602 32.175 31.700 -0.212 0.000 0.936 372 A N 1.542 124.297 122.820 -0.109 0.000 2.445 372 A HA 0.209 4.529 4.320 0.001 0.000 0.242 372 A C 0.706 178.256 177.584 -0.056 0.000 1.075 372 A CA -0.008 51.991 52.037 -0.062 0.000 0.777 372 A CB -0.374 18.617 19.000 -0.014 0.000 1.013 372 A HN 0.592 nan 8.150 nan 0.000 0.493 373 K N -0.193 120.206 120.400 -0.000 0.000 3.291 373 K HA -0.109 4.211 4.320 0.001 0.000 0.290 373 K C -0.262 176.356 176.600 0.031 0.000 1.235 373 K CA 1.337 57.695 56.287 0.118 0.000 0.848 373 K CB -2.631 29.924 32.500 0.092 0.000 1.295 373 K HN 0.820 nan 8.250 nan 0.000 0.497 374 T N 1.530 115.972 114.554 -0.186 0.000 2.749 374 T HA 0.360 4.711 4.350 0.001 0.000 0.287 374 T C 0.117 174.469 174.700 -0.579 0.000 0.970 374 T CA -0.744 61.136 62.100 -0.367 0.000 0.980 374 T CB 1.218 69.809 68.868 -0.462 0.000 0.924 374 T HN 0.172 nan 8.240 nan 0.000 0.456 375 L N 6.354 127.088 121.223 -0.816 0.000 2.615 375 L HA 0.261 4.601 4.340 0.001 0.000 0.271 375 L C -0.677 175.787 176.870 -0.677 0.000 1.183 375 L CA 0.554 54.774 54.840 -1.033 0.000 0.933 375 L CB -0.220 41.313 42.059 -0.876 0.000 1.199 375 L HN 0.402 nan 8.230 nan 0.000 0.487 376 V N 5.801 125.358 119.914 -0.594 0.000 2.604 376 V HA 0.541 4.661 4.120 0.001 0.000 0.305 376 V C -0.207 175.613 176.094 -0.456 0.000 1.043 376 V CA -0.737 61.267 62.300 -0.493 0.000 0.888 376 V CB 1.758 33.337 31.823 -0.406 0.000 0.995 376 V HN 0.760 nan 8.190 nan 0.000 0.429 377 Q N 2.306 121.804 119.800 -0.504 0.000 2.372 377 Q HA 0.677 5.018 4.340 0.001 0.000 0.273 377 Q C -1.654 174.175 176.000 -0.285 0.000 1.078 377 Q CA -0.744 54.792 55.803 -0.445 0.000 0.806 377 Q CB 3.172 31.471 28.738 -0.731 0.000 1.332 377 Q HN 0.573 nan 8.270 nan 0.000 0.435 378 V N 1.101 120.930 119.914 -0.141 0.000 2.384 378 V HA 0.433 4.553 4.120 0.001 0.000 0.287 378 V C -0.043 176.042 176.094 -0.014 0.000 1.020 378 V CA -0.757 61.514 62.300 -0.049 0.000 0.850 378 V CB 1.343 33.171 31.823 0.008 0.000 0.987 378 V HN 0.864 nan 8.190 nan 0.000 0.436 379 A N 5.554 128.377 122.820 0.005 0.000 3.037 379 A HA 0.322 4.642 4.320 0.001 0.000 0.272 379 A C 1.416 179.013 177.584 0.022 0.000 1.723 379 A CA -0.244 51.784 52.037 -0.014 0.000 1.413 379 A CB -0.681 18.388 19.000 0.114 0.000 1.112 379 A HN 0.696 nan 8.150 nan 0.000 0.606 380 I N 0.464 121.067 120.570 0.054 0.000 2.087 380 I HA -0.342 3.828 4.170 0.001 0.000 0.240 380 I C 2.168 178.347 176.117 0.103 0.000 1.054 380 I CA 2.221 63.573 61.300 0.086 0.000 1.311 380 I CB -1.480 36.578 38.000 0.096 0.000 1.024 380 I HN 0.836 nan 8.210 nan 0.000 0.402 381 Y N 1.777 122.105 120.300 0.046 0.000 2.053 381 Y HA -0.317 4.233 4.550 0.001 0.000 0.277 381 Y C 2.653 178.601 175.900 0.080 0.000 1.159 381 Y CA 2.609 60.739 58.100 0.050 0.000 1.125 381 Y CB -0.301 38.213 38.460 0.091 0.000 0.969 381 Y HN 0.152 nan 8.280 nan 0.000 0.492 382 A N 0.538 123.603 122.820 0.408 0.000 1.940 382 A HA -0.274 4.046 4.320 0.001 0.000 0.219 382 A C 2.430 180.104 177.584 0.149 0.000 1.176 382 A CA 1.958 54.172 52.037 0.295 0.000 0.631 382 A CB -0.968 18.218 19.000 0.308 0.000 0.814 382 A HN 0.720 nan 8.150 nan 0.000 0.446 383 M N -0.486 119.178 119.600 0.107 0.000 2.082 383 M HA -0.165 4.316 4.480 0.001 0.000 0.258 383 M C 2.170 178.696 176.300 0.376 0.000 1.069 383 M CA 1.863 57.279 55.300 0.194 0.000 1.102 383 M CB -0.557 32.053 32.600 0.017 0.000 1.336 383 M HN 0.480 nan 8.290 nan 0.000 0.404 384 G N 0.390 109.286 108.800 0.160 0.000 2.503 384 G HA2 -0.252 3.708 3.960 0.001 0.000 0.221 384 G HA3 -0.252 3.708 3.960 0.001 0.000 0.221 384 G C 1.323 176.187 174.900 -0.060 0.000 1.131 384 G CA 0.876 45.945 45.100 -0.052 0.000 0.756 384 G HN 0.388 nan 8.290 nan 0.000 0.572 385 R N 0.423 120.899 120.500 -0.040 0.000 2.334 385 R HA 0.149 4.489 4.340 0.001 0.000 0.216 385 R C -0.079 176.264 176.300 0.072 0.000 0.905 385 R CA -0.358 55.734 56.100 -0.013 0.000 1.064 385 R CB -0.271 30.012 30.300 -0.028 0.000 1.046 385 R HN 0.257 nan 8.270 nan 0.000 0.508 386 D N 2.283 122.759 120.400 0.127 0.000 2.317 386 D HA 0.114 4.754 4.640 0.001 0.000 0.252 386 D C -1.724 174.525 176.300 -0.085 0.000 1.174 386 D CA -2.136 51.847 54.000 -0.027 0.000 0.866 386 D CB 1.994 42.700 40.800 -0.156 0.000 1.127 386 D HN -0.101 nan 8.370 nan 0.000 0.467 387 P HA 0.028 nan 4.420 nan 0.000 0.239 387 P C 0.612 177.777 177.300 -0.225 0.000 1.184 387 P CA 0.347 63.386 63.100 -0.101 0.000 0.760 387 P CB 0.282 31.939 31.700 -0.072 0.000 0.884 388 A N -1.627 120.910 122.820 -0.472 0.000 2.067 388 A HA -0.016 4.304 4.320 0.001 0.000 0.217 388 A C 1.393 178.584 177.584 -0.654 0.000 1.156 388 A CA 0.964 52.628 52.037 -0.622 0.000 0.683 388 A CB -1.085 17.371 19.000 -0.906 0.000 0.808 388 A HN 0.072 nan 8.150 nan 0.000 0.455 389 F N -2.116 117.632 119.950 -0.337 0.000 2.500 389 F HA 0.398 4.925 4.527 0.000 0.000 0.285 389 F C 0.062 175.391 175.800 -0.786 0.000 1.088 389 F CA -0.466 57.128 58.000 -0.677 0.000 1.432 389 F CB -0.013 38.439 39.000 -0.914 0.000 1.131 389 F HN 0.042 nan 8.300 nan 0.000 0.582 390 F N -0.231 119.711 119.950 -0.013 0.000 2.730 390 F HA 0.350 4.877 4.527 0.001 0.000 0.335 390 F C 0.171 175.929 175.800 -0.070 0.000 1.212 390 F CA -1.087 56.878 58.000 -0.059 0.000 1.016 390 F CB 1.233 40.208 39.000 -0.041 0.000 1.290 390 F HN -0.422 nan 8.300 nan 0.000 0.495 391 S N 1.252 116.996 115.700 0.073 0.000 2.549 391 S HA 0.100 4.571 4.470 0.001 0.000 0.286 391 S C 0.420 175.045 174.600 0.042 0.000 1.314 391 S CA -0.270 57.946 58.200 0.028 0.000 1.062 391 S CB 0.616 63.818 63.200 0.002 0.000 0.865 391 S HN 0.724 nan 8.310 nan 0.000 0.498 392 S N 3.302 119.019 115.700 0.029 0.000 3.356 392 S HA -0.082 4.389 4.470 0.001 0.000 0.376 392 S C -1.898 172.724 174.600 0.038 0.000 0.924 392 S CA 0.101 58.319 58.200 0.031 0.000 1.316 392 S CB -1.036 62.180 63.200 0.027 0.000 0.922 392 S HN 0.651 nan 8.310 nan 0.000 0.553 393 P HA 0.053 nan 4.420 nan 0.000 0.239 393 P C 0.639 177.936 177.300 -0.005 0.000 1.184 393 P CA 0.526 63.639 63.100 0.022 0.000 0.760 393 P CB 0.144 31.874 31.700 0.050 0.000 0.884 394 D N -0.330 120.086 120.400 0.027 0.000 2.249 394 D HA -0.037 4.603 4.640 0.001 0.000 0.205 394 D C 0.807 177.152 176.300 0.075 0.000 0.962 394 D CA 0.732 54.760 54.000 0.047 0.000 0.860 394 D CB -0.035 40.802 40.800 0.062 0.000 0.955 394 D HN 0.310 nan 8.370 nan 0.000 0.505 395 K N -0.025 120.419 120.400 0.073 0.000 2.156 395 K HA 0.200 4.520 4.320 0.001 0.000 0.271 395 K C -0.647 176.045 176.600 0.154 0.000 0.995 395 K CA -0.724 55.630 56.287 0.111 0.000 0.890 395 K CB 1.214 33.764 32.500 0.085 0.000 1.073 395 K HN -0.134 nan 8.250 nan 0.000 0.454 396 F N 2.988 122.955 119.950 0.027 0.000 2.472 396 F HA 0.084 4.611 4.527 0.000 0.000 0.364 396 F C -0.322 175.501 175.800 0.039 0.000 1.090 396 F CA 0.282 58.299 58.000 0.029 0.000 1.188 396 F CB 0.711 39.726 39.000 0.026 0.000 1.105 396 F HN 0.720 nan 8.300 nan 0.000 0.536 397 D N 8.566 128.804 120.400 -0.270 0.000 2.328 397 D HA 0.255 4.895 4.640 0.001 0.000 0.243 397 D C -2.277 173.895 176.300 -0.213 0.000 1.324 397 D CA -1.891 52.003 54.000 -0.177 0.000 0.966 397 D CB 1.660 42.424 40.800 -0.061 0.000 1.324 397 D HN 0.163 nan 8.370 nan 0.000 0.549 398 P HA -0.108 nan 4.420 nan 0.000 0.219 398 P C 1.454 178.797 177.300 0.071 0.000 1.146 398 P CA 1.354 64.385 63.100 -0.115 0.000 0.808 398 P CB 0.194 31.817 31.700 -0.129 0.000 0.779 399 T N -1.543 113.022 114.554 0.019 0.000 2.929 399 T HA -0.187 4.164 4.350 0.001 0.000 0.271 399 T C 1.752 176.464 174.700 0.021 0.000 1.085 399 T CA 0.718 62.841 62.100 0.040 0.000 1.125 399 T CB -0.798 68.084 68.868 0.024 0.000 0.874 399 T HN 0.231 nan 8.240 nan 0.000 0.494 400 R N -0.415 120.048 120.500 -0.061 0.000 2.316 400 R HA 0.013 4.353 4.340 0.001 0.000 0.202 400 R C 0.869 176.917 176.300 -0.420 0.000 1.029 400 R CA 0.590 56.549 56.100 -0.235 0.000 1.018 400 R CB -0.586 29.520 30.300 -0.324 0.000 0.888 400 R HN 0.557 nan 8.270 nan 0.000 0.471 401 W N 1.215 122.534 121.300 0.033 0.000 3.330 401 W HA 0.202 4.862 4.660 0.000 0.000 0.348 401 W C 0.198 176.804 176.519 0.144 0.000 1.205 401 W CA -0.652 56.742 57.345 0.082 0.000 1.841 401 W CB 0.585 30.070 29.460 0.042 0.000 1.084 401 W HN 0.138 nan 8.180 nan 0.000 0.665 402 L N -3.850 117.519 121.223 0.243 0.000 3.431 402 L HA 0.527 4.868 4.340 0.001 0.000 0.316 402 L C 1.009 177.950 176.870 0.118 0.000 1.305 402 L CA -0.036 54.914 54.840 0.183 0.000 0.995 402 L CB -0.316 41.830 42.059 0.144 0.000 1.411 402 L HN -0.282 nan 8.230 nan 0.000 0.610 403 S N 1.767 117.545 115.700 0.130 0.000 2.325 403 S HA -0.116 4.355 4.470 0.001 0.000 0.213 403 S C 1.091 175.710 174.600 0.032 0.000 1.031 403 S CA 1.645 59.891 58.200 0.077 0.000 0.984 403 S CB -0.192 63.053 63.200 0.075 0.000 0.939 403 S HN 0.775 nan 8.310 nan 0.000 0.438 404 K N 0.572 120.964 120.400 -0.014 0.000 2.850 404 K HA -0.323 3.998 4.320 0.001 0.000 0.254 404 K C 0.207 176.785 176.600 -0.037 0.000 0.991 404 K CA 1.854 58.077 56.287 -0.106 0.000 0.751 404 K CB -1.458 30.938 32.500 -0.174 0.000 1.215 404 K HN 0.457 nan 8.250 nan 0.000 0.473 405 D N 1.635 122.033 120.400 -0.002 0.000 3.154 405 D HA 0.018 4.658 4.640 0.001 0.000 0.278 405 D C 1.202 177.507 176.300 0.008 0.000 1.460 405 D CA 1.461 55.463 54.000 0.003 0.000 1.114 405 D CB 0.116 40.922 40.800 0.010 0.000 1.151 405 D HN 0.419 nan 8.370 nan 0.000 0.376 406 K N -0.117 120.291 120.400 0.014 0.000 2.373 406 K HA 0.319 4.639 4.320 0.001 0.000 0.202 406 K C -0.479 176.132 176.600 0.018 0.000 1.025 406 K CA -0.366 55.930 56.287 0.014 0.000 1.115 406 K CB 0.378 32.885 32.500 0.011 0.000 0.858 406 K HN -0.134 nan 8.250 nan 0.000 0.525 407 D N 1.350 121.768 120.400 0.029 0.000 2.383 407 D HA 0.048 4.689 4.640 0.001 0.000 0.252 407 D C 0.746 177.069 176.300 0.039 0.000 1.166 407 D CA 0.003 54.029 54.000 0.043 0.000 0.879 407 D CB 0.958 41.815 40.800 0.095 0.000 1.164 407 D HN 0.078 nan 8.370 nan 0.000 0.462 408 L N 3.133 124.371 121.223 0.026 0.000 1.925 408 L HA -0.016 4.324 4.340 0.001 0.000 0.215 408 L C 0.951 177.845 176.870 0.041 0.000 1.082 408 L CA 0.990 55.845 54.840 0.024 0.000 0.764 408 L CB 0.055 42.120 42.059 0.010 0.000 0.887 408 L HN 0.426 nan 8.230 nan 0.000 0.432 409 I N -1.217 119.374 120.570 0.035 0.000 2.797 409 I HA 0.141 4.311 4.170 0.001 0.000 0.310 409 I C -0.854 175.330 176.117 0.111 0.000 0.990 409 I CA -0.119 61.212 61.300 0.053 0.000 1.228 409 I CB 1.267 39.271 38.000 0.007 0.000 1.406 409 I HN 0.308 nan 8.210 nan 0.000 0.534 410 H N 4.469 123.554 119.070 0.025 0.000 3.017 410 H HA 0.354 4.911 4.556 0.000 0.000 0.340 410 H C -1.737 173.648 175.328 0.095 0.000 1.014 410 H CA -0.389 55.678 56.048 0.032 0.000 1.341 410 H CB 1.369 31.145 29.762 0.023 0.000 1.739 410 H HN 0.398 nan 8.280 nan 0.000 0.506 411 F N 4.382 124.135 119.950 -0.329 0.000 2.492 411 F HA 0.554 5.082 4.527 0.001 0.000 0.327 411 F C -0.220 175.503 175.800 -0.127 0.000 1.079 411 F CA -0.812 57.062 58.000 -0.210 0.000 0.967 411 F CB 0.845 39.695 39.000 -0.248 0.000 1.169 411 F HN 0.407 nan 8.300 nan 0.000 0.472 412 R N 2.578 122.634 120.500 -0.740 0.000 2.541 412 R HA 0.177 4.517 4.340 0.001 0.000 0.263 412 R C -0.505 175.657 176.300 -0.229 0.000 1.112 412 R CA -0.751 55.122 56.100 -0.379 0.000 1.170 412 R CB 0.595 30.447 30.300 -0.747 0.000 1.167 412 R HN 0.670 nan 8.270 nan 0.000 0.582 413 N N 1.315 120.031 118.700 0.027 0.000 2.455 413 N HA 0.112 4.853 4.740 0.001 0.000 0.280 413 N C 0.093 175.618 175.510 0.024 0.000 1.055 413 N CA -0.085 52.955 53.050 -0.017 0.000 0.961 413 N CB 0.869 39.170 38.487 -0.310 0.000 1.121 413 N HN 0.369 nan 8.380 nan 0.000 0.476 414 L N 2.755 124.004 121.223 0.043 0.000 2.808 414 L HA 0.270 4.611 4.340 0.001 0.000 0.246 414 L C 2.189 179.102 176.870 0.072 0.000 1.153 414 L CA -0.229 54.670 54.840 0.099 0.000 0.956 414 L CB 0.224 42.346 42.059 0.106 0.000 1.270 414 L HN 0.656 nan 8.230 nan 0.000 0.528 415 G N 1.016 109.791 108.800 -0.040 0.000 2.550 415 G HA2 -0.298 3.662 3.960 0.001 0.000 0.222 415 G HA3 -0.298 3.662 3.960 0.001 0.000 0.222 415 G C 1.140 175.816 174.900 -0.373 0.000 1.113 415 G CA 1.226 46.175 45.100 -0.252 0.000 0.748 415 G HN 0.370 nan 8.290 nan 0.000 0.585 416 F N 0.229 120.230 119.950 0.084 0.000 2.706 416 F HA 0.438 4.965 4.527 0.000 0.000 0.308 416 F C 1.639 177.517 175.800 0.131 0.000 1.095 416 F CA 0.339 58.398 58.000 0.099 0.000 1.244 416 F CB 0.781 39.823 39.000 0.070 0.000 1.063 416 F HN 0.460 nan 8.300 nan 0.000 0.582 417 G N 0.018 109.000 108.800 0.302 0.000 2.466 417 G HA2 -0.184 3.776 3.960 0.001 0.000 0.218 417 G HA3 -0.184 3.776 3.960 0.001 0.000 0.218 417 G C -1.310 173.806 174.900 0.360 0.000 1.237 417 G CA -0.426 44.846 45.100 0.286 0.000 0.954 417 G HN 0.227 nan 8.290 nan 0.000 0.580 418 W N 0.295 121.539 121.300 -0.094 0.000 3.464 418 W HA 0.498 5.159 4.660 0.000 0.000 0.292 418 W C 0.596 177.012 176.519 -0.171 0.000 1.262 418 W CA 0.879 58.075 57.345 -0.248 0.000 1.202 418 W CB 1.220 30.316 29.460 -0.607 0.000 1.334 418 W HN 2.572 nan 8.180 nan 0.000 0.561 419 G N 0.722 109.262 108.800 -0.434 0.000 2.660 419 G HA2 -0.183 3.777 3.960 0.001 0.000 0.215 419 G HA3 -0.183 3.777 3.960 0.001 0.000 0.215 419 G C 0.128 174.989 174.900 -0.064 0.000 1.345 419 G CA 0.183 45.184 45.100 -0.165 0.000 0.877 419 G HN 1.368 nan 8.290 nan 0.000 0.549 420 V N -2.619 117.341 119.914 0.077 0.000 3.461 420 V HA 0.454 4.574 4.120 0.001 0.000 0.267 420 V C 1.568 177.837 176.094 0.292 0.000 1.186 420 V CA 2.362 64.757 62.300 0.158 0.000 1.154 420 V CB -0.097 31.880 31.823 0.257 0.000 0.802 420 V HN 0.811 nan 8.190 nan 0.000 0.474 421 R N 1.293 121.941 120.500 0.248 0.000 2.698 421 R HA 0.289 4.629 4.340 0.001 0.000 0.422 421 R C 0.708 177.134 176.300 0.210 0.000 1.073 421 R CA -0.311 55.965 56.100 0.294 0.000 1.054 421 R CB 0.235 30.605 30.300 0.116 0.000 1.373 421 R HN 0.815 nan 8.270 nan 0.000 0.593 422 Q N -0.533 119.360 119.800 0.156 0.000 2.631 422 Q HA 0.039 4.379 4.340 0.001 0.000 0.210 422 Q C -0.098 176.004 176.000 0.170 0.000 1.094 422 Q CA -0.435 55.460 55.803 0.153 0.000 1.055 422 Q CB 0.550 29.329 28.738 0.069 0.000 1.261 422 Q HN 0.190 nan 8.270 nan 0.000 0.615 423 C N 1.891 121.313 119.300 0.202 0.000 2.616 423 C HA 0.033 4.494 4.460 0.001 0.000 0.402 423 C C 1.906 176.967 174.990 0.119 0.000 1.436 423 C CA -0.335 58.807 59.018 0.207 0.000 1.521 423 C CB -1.275 26.669 27.740 0.340 0.000 2.413 423 C HN 0.683 nan 8.230 nan 0.000 0.617 424 V N 6.279 126.256 119.914 0.104 0.000 2.370 424 V HA -0.152 3.968 4.120 0.001 0.000 0.252 424 V C 2.414 178.520 176.094 0.020 0.000 1.068 424 V CA 2.493 64.822 62.300 0.047 0.000 1.061 424 V CB -1.172 30.673 31.823 0.037 0.000 0.656 424 V HN 1.059 nan 8.190 nan 0.000 0.455 425 G N -0.911 107.917 108.800 0.046 0.000 2.920 425 G HA2 -0.106 3.854 3.960 0.001 0.000 0.208 425 G HA3 -0.106 3.854 3.960 0.001 0.000 0.208 425 G C 1.522 176.411 174.900 -0.017 0.000 1.159 425 G CA 0.228 45.341 45.100 0.021 0.000 0.784 425 G HN 0.428 nan 8.290 nan 0.000 0.535 426 R N -0.124 120.336 120.500 -0.066 0.000 2.117 426 R HA -0.129 4.211 4.340 0.001 0.000 0.243 426 R C 2.482 178.533 176.300 -0.414 0.000 1.143 426 R CA 1.399 57.282 56.100 -0.362 0.000 0.968 426 R CB -0.030 30.055 30.300 -0.360 0.000 0.863 426 R HN 0.204 nan 8.270 nan 0.000 0.444 427 R N 0.203 120.582 120.500 -0.201 0.000 2.066 427 R HA 0.121 4.461 4.340 0.001 0.000 0.224 427 R C 2.205 178.469 176.300 -0.060 0.000 1.122 427 R CA 1.150 57.171 56.100 -0.132 0.000 0.974 427 R CB -0.369 29.897 30.300 -0.056 0.000 0.871 427 R HN 0.225 nan 8.270 nan 0.000 0.435 428 I N 0.418 120.969 120.570 -0.032 0.000 2.143 428 I HA -0.386 3.784 4.170 0.001 0.000 0.245 428 I C 2.255 178.349 176.117 -0.039 0.000 1.068 428 I CA 1.770 63.033 61.300 -0.061 0.000 1.326 428 I CB -0.573 37.350 38.000 -0.128 0.000 1.028 428 I HN 0.231 nan 8.210 nan 0.000 0.412 429 A N 0.659 123.462 122.820 -0.029 0.000 1.855 429 A HA -0.212 4.108 4.320 0.001 0.000 0.215 429 A C 2.209 179.820 177.584 0.044 0.000 1.191 429 A CA 1.758 53.827 52.037 0.054 0.000 0.613 429 A CB -0.658 18.449 19.000 0.178 0.000 0.829 429 A HN 0.496 nan 8.150 nan 0.000 0.442 430 E N -0.659 119.498 120.200 -0.072 0.000 2.110 430 E HA -0.193 4.158 4.350 0.001 0.000 0.193 430 E C 1.927 178.547 176.600 0.034 0.000 0.988 430 E CA 1.204 57.586 56.400 -0.029 0.000 0.804 430 E CB -0.281 29.340 29.700 -0.131 0.000 0.745 430 E HN 0.465 nan 8.360 nan 0.000 0.458 431 L N 1.696 122.938 121.223 0.030 0.000 2.027 431 L HA -0.160 4.180 4.340 0.001 0.000 0.206 431 L C 2.342 179.277 176.870 0.110 0.000 1.074 431 L CA 1.886 56.767 54.840 0.068 0.000 0.745 431 L CB -0.475 41.632 42.059 0.081 0.000 0.898 431 L HN 0.076 nan 8.230 nan 0.000 0.433 432 E N -0.764 119.499 120.200 0.104 0.000 2.130 432 E HA -0.275 4.075 4.350 0.001 0.000 0.196 432 E C 1.962 178.727 176.600 0.274 0.000 0.998 432 E CA 1.877 58.383 56.400 0.176 0.000 0.806 432 E CB -0.120 29.644 29.700 0.107 0.000 0.738 432 E HN 0.602 nan 8.360 nan 0.000 0.459 433 M N -0.502 119.209 119.600 0.185 0.000 2.435 433 M HA 0.006 4.487 4.480 0.001 0.000 0.265 433 M C 2.053 178.437 176.300 0.141 0.000 1.104 433 M CA 0.948 56.336 55.300 0.146 0.000 1.140 433 M CB 0.301 32.962 32.600 0.101 0.000 1.372 433 M HN -0.005 nan 8.290 nan 0.000 0.456 434 T N 1.395 116.023 114.554 0.123 0.000 2.896 434 T HA 0.052 4.402 4.350 0.001 0.000 0.263 434 T C 1.922 176.675 174.700 0.087 0.000 1.050 434 T CA 0.861 63.015 62.100 0.090 0.000 1.140 434 T CB -0.172 68.737 68.868 0.068 0.000 0.877 434 T HN 0.273 nan 8.240 nan 0.000 0.457 435 L N 0.184 121.485 121.223 0.131 0.000 1.989 435 L HA -0.058 4.283 4.340 0.001 0.000 0.211 435 L C 2.305 179.291 176.870 0.194 0.000 1.071 435 L CA 1.632 56.562 54.840 0.149 0.000 0.749 435 L CB -0.654 41.545 42.059 0.233 0.000 0.890 435 L HN 0.214 nan 8.230 nan 0.000 0.431 436 F N 0.616 120.618 119.950 0.087 0.000 2.154 436 F HA -0.279 4.249 4.527 0.001 0.000 0.301 436 F C 2.162 177.926 175.800 -0.059 0.000 1.087 436 F CA 1.614 59.578 58.000 -0.060 0.000 1.274 436 F CB -0.003 38.805 39.000 -0.321 0.000 1.009 436 F HN -0.071 nan 8.300 nan 0.000 0.485 437 L N -0.603 120.711 121.223 0.152 0.000 2.209 437 L HA -0.088 4.252 4.340 0.001 0.000 0.207 437 L C 2.354 179.211 176.870 -0.021 0.000 1.094 437 L CA 0.515 55.390 54.840 0.058 0.000 0.790 437 L CB -0.483 41.574 42.059 -0.004 0.000 0.932 437 L HN 0.155 nan 8.230 nan 0.000 0.447 438 I N -0.494 120.034 120.570 -0.070 0.000 2.127 438 I HA -0.332 3.838 4.170 0.001 0.000 0.241 438 I C 2.723 178.720 176.117 -0.201 0.000 1.075 438 I CA 1.282 62.488 61.300 -0.157 0.000 1.334 438 I CB -0.517 37.328 38.000 -0.259 0.000 1.040 438 I HN 0.331 nan 8.210 nan 0.000 0.405 439 H N 0.488 119.513 119.070 -0.074 0.000 2.353 439 H HA -0.105 4.451 4.556 0.000 0.000 0.300 439 H C 2.409 177.643 175.328 -0.156 0.000 1.090 439 H CA 1.404 57.379 56.048 -0.121 0.000 1.327 439 H CB -0.126 29.558 29.762 -0.129 0.000 1.383 439 H HN 0.264 nan 8.280 nan 0.000 0.508 440 I N 0.829 121.351 120.570 -0.080 0.000 2.252 440 I HA -0.215 3.955 4.170 0.001 0.000 0.245 440 I C 2.638 178.818 176.117 0.106 0.000 1.102 440 I CA 0.804 62.125 61.300 0.035 0.000 1.385 440 I CB -0.886 37.113 38.000 -0.002 0.000 1.064 440 I HN 0.170 nan 8.210 nan 0.000 0.414 441 L N 0.363 121.621 121.223 0.060 0.000 2.131 441 L HA -0.202 4.138 4.340 0.001 0.000 0.210 441 L C 2.401 179.289 176.870 0.030 0.000 1.092 441 L CA 1.318 56.204 54.840 0.077 0.000 0.759 441 L CB -0.423 41.676 42.059 0.067 0.000 0.903 441 L HN 0.294 nan 8.230 nan 0.000 0.435 442 E N -0.576 119.604 120.200 -0.034 0.000 2.216 442 E HA -0.091 4.259 4.350 0.001 0.000 0.192 442 E C 1.564 178.079 176.600 -0.142 0.000 0.988 442 E CA 0.512 56.872 56.400 -0.067 0.000 0.834 442 E CB 0.121 29.781 29.700 -0.068 0.000 0.772 442 E HN 0.497 nan 8.360 nan 0.000 0.479 443 N N -0.534 117.989 118.700 -0.295 0.000 2.415 443 N HA 0.084 4.824 4.740 0.001 0.000 0.174 443 N C -0.092 175.016 175.510 -0.671 0.000 1.048 443 N CA 0.551 53.206 53.050 -0.659 0.000 0.895 443 N CB 0.630 38.383 38.487 -1.224 0.000 1.036 443 N HN -0.020 nan 8.380 nan 0.000 0.449 444 F N 0.283 120.288 119.950 0.092 0.000 2.603 444 F HA 0.427 4.955 4.527 0.001 0.000 0.317 444 F C 0.239 176.143 175.800 0.174 0.000 1.066 444 F CA -1.141 56.956 58.000 0.162 0.000 0.941 444 F CB 2.109 41.247 39.000 0.229 0.000 1.291 444 F HN -0.456 nan 8.300 nan 0.000 0.472 445 K N 1.660 122.293 120.400 0.388 0.000 2.307 445 K HA 0.626 4.946 4.320 0.001 0.000 0.263 445 K C -1.640 175.051 176.600 0.152 0.000 0.973 445 K CA -0.485 55.940 56.287 0.228 0.000 0.846 445 K CB 1.488 34.091 32.500 0.172 0.000 1.100 445 K HN 0.503 nan 8.250 nan 0.000 0.438 446 V N 4.560 124.509 119.914 0.059 0.000 2.383 446 V HA 0.276 4.396 4.120 0.001 0.000 0.275 446 V C -0.207 175.807 176.094 -0.133 0.000 1.036 446 V CA -0.335 61.871 62.300 -0.157 0.000 0.889 446 V CB 1.170 32.867 31.823 -0.210 0.000 0.985 446 V HN 0.878 nan 8.190 nan 0.000 0.459 447 E N 3.783 123.883 120.200 -0.168 0.000 2.449 447 E HA 0.699 5.049 4.350 0.001 0.000 0.254 447 E C -1.059 175.456 176.600 -0.141 0.000 0.907 447 E CA -0.995 55.331 56.400 -0.123 0.000 0.840 447 E CB 2.185 31.840 29.700 -0.076 0.000 1.459 447 E HN 0.478 nan 8.360 nan 0.000 0.407 448 M N 0.959 120.495 119.600 -0.105 0.000 2.457 448 M HA 0.208 4.688 4.480 0.001 0.000 0.300 448 M C 0.422 176.694 176.300 -0.046 0.000 1.141 448 M CA -0.437 54.822 55.300 -0.069 0.000 0.901 448 M CB 2.152 34.710 32.600 -0.069 0.000 1.687 448 M HN 0.483 nan 8.290 nan 0.000 0.449 449 Q N 0.599 120.397 119.800 -0.003 0.000 2.096 449 Q HA -0.154 4.186 4.340 0.001 0.000 0.208 449 Q C 0.332 176.315 176.000 -0.028 0.000 0.993 449 Q CA 1.528 57.325 55.803 -0.009 0.000 0.862 449 Q CB 0.161 28.914 28.738 0.024 0.000 0.915 449 Q HN 0.447 nan 8.270 nan 0.000 0.416 450 H N -1.831 117.242 119.070 0.005 0.000 2.960 450 H HA 0.283 4.839 4.556 0.001 0.000 0.338 450 H C -0.494 174.841 175.328 0.011 0.000 1.261 450 H CA -0.982 55.069 56.048 0.007 0.000 1.136 450 H CB 1.126 30.896 29.762 0.014 0.000 1.875 450 H HN 0.088 nan 8.280 nan 0.000 0.550 451 I N 0.173 120.891 120.570 0.247 0.000 3.058 451 I HA 0.139 4.309 4.170 0.001 0.000 0.299 451 I C 0.903 177.102 176.117 0.136 0.000 1.238 451 I CA 0.249 61.635 61.300 0.143 0.000 1.423 451 I CB 0.018 38.112 38.000 0.156 0.000 1.330 451 I HN 0.469 nan 8.210 nan 0.000 0.589 452 G N 2.885 111.747 108.800 0.103 0.000 2.569 452 G HA2 0.340 4.300 3.960 0.001 0.000 0.249 452 G HA3 0.340 4.300 3.960 0.001 0.000 0.249 452 G C 0.086 175.116 174.900 0.216 0.000 1.216 452 G CA 0.122 45.336 45.100 0.190 0.000 0.845 452 G HN 1.098 nan 8.290 nan 0.000 0.568 453 D N -0.753 119.802 120.400 0.258 0.000 3.048 453 D HA -0.063 4.578 4.640 0.001 0.000 0.290 453 D C -0.627 175.787 176.300 0.190 0.000 1.667 453 D CA -0.232 53.886 54.000 0.197 0.000 0.835 453 D CB -0.424 40.456 40.800 0.134 0.000 1.438 453 D HN 0.218 nan 8.370 nan 0.000 0.463 454 V N 1.450 121.494 119.914 0.217 0.000 2.370 454 V HA 0.328 4.448 4.120 0.001 0.000 0.279 454 V C 0.133 176.364 176.094 0.229 0.000 1.029 454 V CA -0.179 62.194 62.300 0.121 0.000 0.870 454 V CB 1.664 33.424 31.823 -0.105 0.000 0.984 454 V HN 0.128 nan 8.190 nan 0.000 0.451 455 D N 2.243 122.803 120.400 0.266 0.000 2.595 455 D HA 0.580 5.220 4.640 0.001 0.000 0.268 455 D C -0.234 176.296 176.300 0.383 0.000 1.181 455 D CA -0.261 53.954 54.000 0.359 0.000 1.085 455 D CB 1.814 42.847 40.800 0.389 0.000 1.186 455 D HN 0.501 nan 8.370 nan 0.000 0.621 456 T N 0.376 115.153 114.554 0.372 0.000 2.863 456 T HA 0.596 4.946 4.350 0.001 0.000 0.285 456 T C -0.443 174.375 174.700 0.196 0.000 1.009 456 T CA -0.440 61.814 62.100 0.257 0.000 0.989 456 T CB 1.676 70.635 68.868 0.150 0.000 1.004 456 T HN 0.192 nan 8.240 nan 0.000 0.455 457 I N 1.634 122.264 120.570 0.099 0.000 2.892 457 I HA 0.709 4.879 4.170 0.001 0.000 0.306 457 I C -1.727 174.391 176.117 0.002 0.000 1.078 457 I CA -1.563 59.827 61.300 0.149 0.000 1.032 457 I CB 1.885 39.999 38.000 0.191 0.000 1.229 457 I HN 0.655 nan 8.210 nan 0.000 0.435 458 F N 6.487 126.436 119.950 -0.002 0.000 2.385 458 F HA 0.548 5.075 4.527 0.001 0.000 0.360 458 F C -0.456 175.343 175.800 -0.000 0.000 1.122 458 F CA -0.317 57.647 58.000 -0.061 0.000 1.090 458 F CB 0.556 39.581 39.000 0.042 0.000 1.150 458 F HN 0.399 nan 8.300 nan 0.000 0.472 459 N N 9.071 127.329 118.700 -0.737 0.000 2.703 459 N HA 0.155 4.895 4.740 0.001 0.000 0.283 459 N C 0.573 175.637 175.510 -0.743 0.000 1.851 459 N CA -0.082 52.559 53.050 -0.681 0.000 0.826 459 N CB 1.199 39.538 38.487 -0.248 0.000 1.239 459 N HN 0.825 nan 8.380 nan 0.000 0.495 460 L N -0.259 120.221 121.223 -1.238 0.000 3.497 460 L HA -0.286 4.054 4.340 0.001 0.000 0.054 460 L C 0.224 176.852 176.870 -0.403 0.000 4.400 460 L CA 1.973 56.519 54.840 -0.490 0.000 0.545 460 L CB -1.071 41.082 42.059 0.156 0.000 3.530 460 L HN 0.478 nan 8.230 nan 0.000 0.785 461 I N 0.518 120.774 120.570 -0.523 0.000 2.396 461 I HA 0.373 4.544 4.170 0.001 0.000 0.292 461 I C 0.627 176.597 176.117 -0.245 0.000 0.999 461 I CA -0.817 60.257 61.300 -0.377 0.000 1.310 461 I CB 0.983 38.616 38.000 -0.613 0.000 1.404 461 I HN 0.246 nan 8.210 nan 0.000 0.496 462 L N 6.054 127.227 121.223 -0.083 0.000 2.490 462 L HA 0.281 4.622 4.340 0.001 0.000 0.274 462 L C 0.616 177.527 176.870 0.068 0.000 1.201 462 L CA 0.238 55.054 54.840 -0.039 0.000 0.869 462 L CB 0.527 42.582 42.059 -0.006 0.000 1.123 462 L HN 0.877 nan 8.230 nan 0.000 0.484 463 T N 0.476 115.101 114.554 0.119 0.000 2.883 463 T HA 0.560 4.910 4.350 0.001 0.000 0.301 463 T C -2.879 171.977 174.700 0.259 0.000 1.158 463 T CA -1.982 60.240 62.100 0.204 0.000 1.007 463 T CB 2.207 71.160 68.868 0.142 0.000 1.186 463 T HN 0.290 nan 8.240 nan 0.000 0.499 464 P HA 0.218 nan 4.420 nan 0.000 0.271 464 P C -0.107 177.204 177.300 0.017 0.000 1.218 464 P CA -0.069 63.052 63.100 0.036 0.000 0.780 464 P CB 0.735 32.014 31.700 -0.701 0.000 0.901 465 D N 1.193 121.639 120.400 0.077 0.000 2.339 465 D HA 0.030 4.671 4.640 0.001 0.000 0.217 465 D C -0.085 176.238 176.300 0.038 0.000 1.050 465 D CA 0.596 54.653 54.000 0.094 0.000 0.856 465 D CB 0.171 41.070 40.800 0.165 0.000 0.922 465 D HN 0.368 nan 8.370 nan 0.000 0.518 466 K N 0.023 120.402 120.400 -0.035 0.000 2.527 466 K HA 0.471 4.792 4.320 0.001 0.000 0.260 466 K C -2.954 173.538 176.600 -0.180 0.000 0.937 466 K CA -1.939 54.313 56.287 -0.058 0.000 0.826 466 K CB 2.200 34.697 32.500 -0.004 0.000 1.359 466 K HN -0.241 nan 8.250 nan 0.000 0.434 467 P HA 0.038 nan 4.420 nan 0.000 0.266 467 P C -0.676 176.292 177.300 -0.553 0.000 1.195 467 P CA -0.057 62.762 63.100 -0.470 0.000 0.768 467 P CB 0.378 31.701 31.700 -0.627 0.000 0.838 468 I N 3.744 123.983 120.570 -0.552 0.000 2.304 468 I HA 0.218 4.388 4.170 0.001 0.000 0.291 468 I C -0.093 175.766 176.117 -0.430 0.000 1.018 468 I CA -0.299 60.769 61.300 -0.386 0.000 1.260 468 I CB -0.228 37.579 38.000 -0.321 0.000 1.390 468 I HN 0.210 nan 8.210 nan 0.000 0.475 469 F N 6.966 126.895 119.950 -0.036 0.000 2.334 469 F HA 0.448 4.975 4.527 0.000 0.000 0.367 469 F C 0.220 175.995 175.800 -0.042 0.000 1.115 469 F CA -0.409 57.572 58.000 -0.032 0.000 1.116 469 F CB 0.801 39.781 39.000 -0.034 0.000 1.230 469 F HN 0.190 nan 8.300 nan 0.000 0.484 470 L N 4.095 125.381 121.223 0.105 0.000 2.329 470 L HA 0.600 4.940 4.340 0.001 0.000 0.279 470 L C -0.592 176.242 176.870 -0.060 0.000 1.014 470 L CA -1.120 53.684 54.840 -0.060 0.000 0.814 470 L CB 1.848 43.779 42.059 -0.213 0.000 1.257 470 L HN 0.165 nan 8.230 nan 0.000 0.424 471 V N 3.015 122.847 119.914 -0.137 0.000 2.406 471 V HA 0.278 4.399 4.120 0.001 0.000 0.272 471 V C -0.444 175.539 176.094 -0.184 0.000 1.043 471 V CA -0.183 62.078 62.300 -0.066 0.000 0.915 471 V CB 0.752 32.546 31.823 -0.049 0.000 0.988 471 V HN 0.361 nan 8.190 nan 0.000 0.466 472 F N 4.581 124.582 119.950 0.085 0.000 2.361 472 F HA 0.571 5.098 4.527 0.000 0.000 0.364 472 F C 0.735 176.580 175.800 0.075 0.000 1.117 472 F CA -0.456 57.552 58.000 0.013 0.000 1.071 472 F CB 1.104 39.985 39.000 -0.198 0.000 1.188 472 F HN 0.317 nan 8.300 nan 0.000 0.464 473 R N 4.549 125.223 120.500 0.290 0.000 2.407 473 R HA 0.427 4.767 4.340 0.001 0.000 0.303 473 R C -2.578 173.988 176.300 0.443 0.000 0.981 473 R CA -1.895 54.382 56.100 0.295 0.000 0.905 473 R CB 1.375 31.787 30.300 0.186 0.000 1.099 473 R HN 0.264 nan 8.270 nan 0.000 0.459 474 P HA 0.248 nan 4.420 nan 0.000 0.278 474 P C -0.740 176.818 177.300 0.430 0.000 1.238 474 P CA 0.120 63.503 63.100 0.472 0.000 0.794 474 P CB 0.811 32.777 31.700 0.443 0.000 0.955 475 F N 0.000 120.011 119.950 0.102 0.000 2.286 475 F HA 0.000 4.527 4.527 0.000 0.000 0.279 475 F CA 0.000 58.036 58.000 0.060 0.000 1.383 475 F CB 0.000 39.044 39.000 0.072 0.000 1.145 475 F HN 0.000 nan 8.300 nan 0.000 0.574