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_A 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 0.000 174.673 174.700 -0.045 0.000 1.109 6 T CA 0.000 62.083 62.100 -0.028 0.000 1.349 6 T CB 0.000 68.854 68.868 -0.024 0.000 0.612 7 P HA 0.536 nan 4.420 nan 0.000 0.276 7 P C -0.658 176.586 177.300 -0.094 0.000 1.261 7 P CA -0.690 62.365 63.100 -0.075 0.000 0.800 7 P CB 0.664 32.338 31.700 -0.043 0.000 1.066 8 R N 1.011 121.397 120.500 -0.189 0.000 2.643 8 R HA 0.260 5.836 4.340 2.059 0.000 0.270 8 R C -1.828 174.472 176.300 -0.001 0.000 1.061 8 R CA -1.266 54.727 56.100 -0.178 0.000 1.107 8 R CB -0.462 29.561 30.300 -0.461 0.000 0.999 8 R HN 0.462 nan 8.270 nan 0.000 0.460 9 P HA -0.084 nan 4.420 nan 0.000 0.274 9 P C -0.133 177.295 177.300 0.212 0.000 1.231 9 P CA -0.211 62.957 63.100 0.112 0.000 0.790 9 P CB 0.513 32.252 31.700 0.066 0.000 0.951 10 Y N 3.259 123.592 120.300 0.055 0.000 1.977 10 Y HA -0.330 5.456 4.550 2.061 0.000 0.264 10 Y C 2.242 178.137 175.900 -0.009 0.000 1.167 10 Y CA 2.740 60.849 58.100 0.016 0.000 1.102 10 Y CB -1.644 36.793 38.460 -0.038 0.000 0.948 10 Y HN 0.326 nan 8.280 nan 0.000 0.489 11 S N 0.034 115.599 115.700 -0.224 0.000 2.504 11 S HA -0.270 5.435 4.470 2.059 0.000 0.257 11 S C 1.672 176.157 174.600 -0.192 0.000 0.986 11 S CA 1.374 59.385 58.200 -0.314 0.000 0.965 11 S CB -0.546 62.573 63.200 -0.135 0.000 0.744 11 S HN 0.697 nan 8.310 nan 0.000 0.523 12 E N 0.360 120.525 120.200 -0.058 0.000 2.474 12 E HA 0.132 5.717 4.350 2.059 0.000 0.194 12 E C -0.084 176.524 176.600 0.012 0.000 1.041 12 E CA -0.222 56.214 56.400 0.059 0.000 0.874 12 E CB 0.168 29.994 29.700 0.210 0.000 0.914 12 E HN 0.469 nan 8.360 nan 0.000 0.498 13 I N 2.844 123.244 120.570 -0.284 0.000 2.587 13 I HA -0.028 5.377 4.170 2.059 0.000 0.284 13 I C -1.558 174.343 176.117 -0.360 0.000 1.134 13 I CA -1.457 59.499 61.300 -0.574 0.000 1.410 13 I CB 0.584 38.225 38.000 -0.598 0.000 1.392 13 I HN 0.025 nan 8.210 nan 0.000 0.545 14 P HA -0.345 nan 4.420 nan 0.000 0.214 14 P C 0.311 177.327 177.300 -0.473 0.000 0.989 14 P CA 2.230 65.180 63.100 -0.251 0.000 1.008 14 P CB -0.093 31.543 31.700 -0.106 0.000 0.747 15 S N -4.537 110.709 115.700 -0.756 0.000 3.859 15 S HA -0.111 5.595 4.470 2.059 0.000 0.678 15 S C -2.192 171.966 174.600 -0.737 0.000 1.658 15 S CA 0.248 58.038 58.200 -0.684 0.000 1.761 15 S CB -2.191 60.775 63.200 -0.391 0.000 0.350 15 S HN 0.262 nan 8.310 nan 0.000 1.312 16 P HA 0.451 nan 4.420 nan 0.000 0.281 16 P C 0.680 177.923 177.300 -0.094 0.000 1.291 16 P CA 1.105 64.142 63.100 -0.104 0.000 0.906 16 P CB 0.738 32.441 31.700 0.005 0.000 1.388 17 G N 0.142 108.852 108.800 -0.151 0.000 2.368 17 G HA2 -0.031 5.164 3.960 2.059 0.000 0.303 17 G HA3 -0.031 5.164 3.960 2.059 0.000 0.303 17 G C -0.848 173.960 174.900 -0.154 0.000 1.590 17 G CA -0.511 44.511 45.100 -0.131 0.000 0.938 17 G HN -0.235 nan 8.290 nan 0.000 0.675 18 D N -0.370 119.944 120.400 -0.144 0.000 2.350 18 D HA -0.044 5.831 4.640 2.059 0.000 0.216 18 D C 1.055 177.261 176.300 -0.157 0.000 0.968 18 D CA 0.580 54.488 54.000 -0.154 0.000 0.894 18 D CB 0.309 41.031 40.800 -0.129 0.000 0.909 18 D HN 0.265 nan 8.370 nan 0.000 0.520 19 N N 0.053 118.671 118.700 -0.137 0.000 2.439 19 N HA 0.069 6.044 4.740 2.059 0.000 0.243 19 N C 1.062 176.473 175.510 -0.165 0.000 1.088 19 N CA -0.036 52.936 53.050 -0.130 0.000 0.940 19 N CB 1.227 39.669 38.487 -0.075 0.000 1.180 19 N HN 0.103 nan 8.380 nan 0.000 0.505 20 G N 2.655 111.286 108.800 -0.281 0.000 2.414 20 G HA2 -0.207 4.988 3.960 2.059 0.000 0.215 20 G HA3 -0.207 4.988 3.960 2.059 0.000 0.215 20 G C 1.252 176.029 174.900 -0.205 0.000 1.188 20 G CA 0.168 45.051 45.100 -0.362 0.000 0.783 20 G HN 0.712 nan 8.290 nan 0.000 0.537 21 W N 0.198 121.444 121.300 -0.091 0.000 2.302 21 W HA -0.153 5.742 4.660 2.059 0.000 0.320 21 W C 2.439 178.943 176.519 -0.024 0.000 1.241 21 W CA 0.198 57.512 57.345 -0.051 0.000 1.264 21 W CB -0.549 28.898 29.460 -0.023 0.000 1.154 21 W HN 0.200 nan 8.180 nan 0.000 0.483 22 L N 1.461 122.788 121.223 0.173 0.000 2.013 22 L HA -0.275 5.300 4.340 2.059 0.000 0.212 22 L C 1.937 178.804 176.870 -0.006 0.000 1.073 22 L CA 2.018 56.883 54.840 0.041 0.000 0.753 22 L CB -1.193 40.816 42.059 -0.083 0.000 0.890 22 L HN -0.043 nan 8.230 nan 0.000 0.432 23 N N -0.486 118.190 118.700 -0.039 0.000 2.166 23 N HA -0.191 5.784 4.740 2.059 0.000 0.186 23 N C 1.978 177.512 175.510 0.039 0.000 1.019 23 N CA 1.579 54.610 53.050 -0.032 0.000 0.856 23 N CB -0.383 38.042 38.487 -0.104 0.000 0.993 23 N HN 0.398 nan 8.380 nan 0.000 0.426 24 L N -0.266 120.951 121.223 -0.009 0.000 2.017 24 L HA -0.217 5.358 4.340 2.059 0.000 0.208 24 L C 2.284 179.225 176.870 0.118 0.000 1.073 24 L CA 1.217 55.980 54.840 -0.127 0.000 0.745 24 L CB -0.498 41.446 42.059 -0.192 0.000 0.894 24 L HN 0.151 nan 8.230 nan 0.000 0.432 25 Y N 0.365 120.797 120.300 0.220 0.000 2.069 25 Y HA -0.383 5.402 4.550 2.058 0.000 0.278 25 Y C 2.688 178.831 175.900 0.404 0.000 1.175 25 Y CA 2.102 60.414 58.100 0.353 0.000 1.134 25 Y CB -0.483 38.143 38.460 0.277 0.000 0.965 25 Y HN 0.229 nan 8.280 nan 0.000 0.498 26 H N -2.122 117.088 119.070 0.232 0.000 2.321 26 H HA -0.200 5.591 4.556 2.058 0.000 0.300 26 H C 2.181 177.561 175.328 0.087 0.000 1.087 26 H CA 1.155 57.287 56.048 0.139 0.000 1.319 26 H CB -0.521 29.335 29.762 0.157 0.000 1.379 26 H HN 0.457 nan 8.280 nan 0.000 0.501 27 F N 0.798 120.780 119.950 0.054 0.000 2.065 27 F HA -0.319 5.443 4.527 2.059 0.000 0.298 27 F C 2.051 177.854 175.800 0.006 0.000 1.112 27 F CA 1.364 59.329 58.000 -0.058 0.000 1.212 27 F CB -0.306 38.569 39.000 -0.207 0.000 0.975 27 F HN 0.184 nan 8.300 nan 0.000 0.476 28 W N 0.970 122.337 121.300 0.112 0.000 2.465 28 W HA -0.038 5.858 4.660 2.059 0.000 0.268 28 W C 2.640 179.040 176.519 -0.199 0.000 1.242 28 W CA 1.232 58.540 57.345 -0.062 0.000 1.248 28 W CB -0.925 28.541 29.460 0.011 0.000 1.118 28 W HN 0.136 nan 8.180 nan 0.000 0.587 29 R N 0.634 121.106 120.500 -0.048 0.000 2.173 29 R HA -0.046 5.530 4.340 2.059 0.000 0.208 29 R C 1.517 177.755 176.300 -0.103 0.000 1.035 29 R CA 0.964 56.968 56.100 -0.161 0.000 1.004 29 R CB -0.065 30.058 30.300 -0.295 0.000 0.917 29 R HN 0.100 nan 8.270 nan 0.000 0.462 30 E N 0.438 120.577 120.200 -0.100 0.000 2.481 30 E HA -0.028 5.557 4.350 2.059 0.000 0.195 30 E C -0.254 176.272 176.600 -0.123 0.000 1.047 30 E CA 0.068 56.401 56.400 -0.113 0.000 0.867 30 E CB 0.440 30.072 29.700 -0.113 0.000 0.858 30 E HN 0.009 nan 8.360 nan 0.000 0.513 31 K N -0.811 119.514 120.400 -0.125 0.000 3.161 31 K HA -0.141 5.414 4.320 2.059 0.000 0.270 31 K C 0.586 177.070 176.600 -0.194 0.000 1.115 31 K CA 0.706 56.926 56.287 -0.112 0.000 0.789 31 K CB -2.292 30.170 32.500 -0.063 0.000 1.256 31 K HN 0.439 nan 8.250 nan 0.000 0.492 32 G N -0.336 108.211 108.800 -0.421 0.000 2.683 32 G HA2 -0.120 5.075 3.960 2.059 0.000 0.213 32 G HA3 -0.120 5.075 3.960 2.059 0.000 0.213 32 G C 1.302 175.856 174.900 -0.577 0.000 1.142 32 G CA 0.749 45.522 45.100 -0.545 0.000 0.793 32 G HN 0.366 nan 8.290 nan 0.000 0.534 33 S N -0.033 115.308 115.700 -0.598 0.000 2.432 33 S HA -0.247 5.458 4.470 2.059 0.000 0.243 33 S C 2.064 176.753 174.600 0.148 0.000 1.069 33 S CA 2.132 60.271 58.200 -0.103 0.000 1.047 33 S CB -0.122 63.151 63.200 0.121 0.000 0.854 33 S HN 0.602 nan 8.310 nan 0.000 0.474 34 Q N -1.719 118.151 119.800 0.116 0.000 2.140 34 Q HA 0.262 5.837 4.340 2.059 0.000 0.227 34 Q C 0.795 176.943 176.000 0.246 0.000 0.798 34 Q CA -0.164 55.812 55.803 0.288 0.000 0.987 34 Q CB 0.686 29.549 28.738 0.209 0.000 1.161 34 Q HN 0.388 nan 8.270 nan 0.000 0.480 35 R N 0.095 120.628 120.500 0.055 0.000 2.546 35 R HA 0.297 5.873 4.340 2.059 0.000 0.320 35 R C 1.310 177.427 176.300 -0.306 0.000 1.021 35 R CA -0.086 55.981 56.100 -0.055 0.000 1.088 35 R CB 0.362 30.718 30.300 0.093 0.000 1.278 35 R HN 0.148 nan 8.270 nan 0.000 0.557 36 I N 2.086 122.507 120.570 -0.248 0.000 2.800 36 I HA -0.286 5.119 4.170 2.059 0.000 0.266 36 I C 2.041 177.755 176.117 -0.672 0.000 1.249 36 I CA 1.250 62.326 61.300 -0.375 0.000 1.458 36 I CB -0.108 37.577 38.000 -0.526 0.000 1.093 36 I HN 0.410 nan 8.210 nan 0.000 0.466 37 H N -2.095 116.576 119.070 -0.665 0.000 2.553 37 H HA 0.057 5.849 4.556 2.058 0.000 0.276 37 H C 1.875 176.933 175.328 -0.451 0.000 0.979 37 H CA 0.264 55.861 56.048 -0.752 0.000 1.268 37 H CB -0.700 28.497 29.762 -0.942 0.000 1.450 37 H HN 0.169 nan 8.280 nan 0.000 0.527 38 F N 2.414 121.914 119.950 -0.749 0.000 2.234 38 F HA 0.078 5.841 4.527 2.060 0.000 0.299 38 F C 2.662 178.353 175.800 -0.182 0.000 1.087 38 F CA 0.750 58.515 58.000 -0.391 0.000 1.340 38 F CB -0.183 38.553 39.000 -0.440 0.000 1.031 38 F HN 0.062 nan 8.300 nan 0.000 0.500 39 R N -0.874 119.601 120.500 -0.042 0.000 2.073 39 R HA -0.096 5.479 4.340 2.059 0.000 0.229 39 R C 1.974 178.311 176.300 0.062 0.000 1.120 39 R CA 1.360 57.449 56.100 -0.018 0.000 0.967 39 R CB -0.863 29.413 30.300 -0.040 0.000 0.862 39 R HN 0.415 nan 8.270 nan 0.000 0.436 40 H N 0.639 119.722 119.070 0.023 0.000 2.292 40 H HA -0.211 5.580 4.556 2.059 0.000 0.292 40 H C 2.154 177.591 175.328 0.181 0.000 1.100 40 H CA 1.594 57.705 56.048 0.105 0.000 1.238 40 H CB -0.208 29.726 29.762 0.286 0.000 1.355 40 H HN 0.161 nan 8.280 nan 0.000 0.484 41 I N 0.649 121.446 120.570 0.377 0.000 2.614 41 I HA -0.193 5.213 4.170 2.059 0.000 0.258 41 I C 1.825 178.058 176.117 0.193 0.000 1.189 41 I CA 1.215 62.720 61.300 0.342 0.000 1.462 41 I CB -0.212 37.987 38.000 0.332 0.000 1.092 41 I HN 0.392 nan 8.210 nan 0.000 0.442 42 E N 0.441 120.689 120.200 0.080 0.000 2.127 42 E HA -0.075 5.510 4.350 2.059 0.000 0.191 42 E C 1.798 178.306 176.600 -0.153 0.000 0.964 42 E CA 0.350 56.733 56.400 -0.029 0.000 0.832 42 E CB -0.006 29.660 29.700 -0.057 0.000 0.790 42 E HN 0.348 nan 8.360 nan 0.000 0.465 43 N N 0.980 119.527 118.700 -0.255 0.000 2.061 43 N HA -0.159 5.816 4.740 2.059 0.000 0.193 43 N C 1.529 176.729 175.510 -0.517 0.000 1.030 43 N CA 1.224 53.922 53.050 -0.588 0.000 0.856 43 N CB -0.415 37.467 38.487 -1.008 0.000 1.023 43 N HN 0.113 nan 8.380 nan 0.000 0.424 44 F N 0.980 120.895 119.950 -0.059 0.000 2.269 44 F HA -0.094 5.668 4.527 2.057 0.000 0.301 44 F C 2.566 178.384 175.800 0.029 0.000 1.082 44 F CA 0.624 58.698 58.000 0.123 0.000 1.360 44 F CB -0.035 39.098 39.000 0.222 0.000 1.041 44 F HN 0.152 nan 8.300 nan 0.000 0.512 45 Q N 0.550 120.425 119.800 0.126 0.000 2.297 45 Q HA -0.168 5.407 4.340 2.059 0.000 0.204 45 Q C 2.139 178.098 176.000 -0.068 0.000 0.962 45 Q CA 0.970 56.797 55.803 0.040 0.000 0.879 45 Q CB 0.139 28.885 28.738 0.014 0.000 0.947 45 Q HN 0.360 nan 8.270 nan 0.000 0.462 46 K N -0.789 119.479 120.400 -0.219 0.000 2.161 46 K HA -0.045 5.511 4.320 2.059 0.000 0.205 46 K C 1.200 177.569 176.600 -0.384 0.000 1.035 46 K CA 0.536 56.571 56.287 -0.420 0.000 0.970 46 K CB 0.093 32.126 32.500 -0.777 0.000 0.866 46 K HN 0.157 nan 8.250 nan 0.000 0.461 47 Y N 0.774 121.024 120.300 -0.083 0.000 2.546 47 Y HA 0.185 5.970 4.550 2.059 0.000 0.287 47 Y C 1.238 177.203 175.900 0.109 0.000 1.158 47 Y CA 0.514 58.606 58.100 -0.014 0.000 1.307 47 Y CB -0.203 38.215 38.460 -0.070 0.000 1.036 47 Y HN 0.441 nan 8.280 nan 0.000 0.532 48 G N 0.490 109.446 108.800 0.260 0.000 2.642 48 G HA2 -0.257 4.938 3.960 2.059 0.000 0.231 48 G HA3 -0.257 4.938 3.960 2.059 0.000 0.231 48 G C -1.905 173.273 174.900 0.462 0.000 1.338 48 G CA -0.422 44.856 45.100 0.296 0.000 0.883 48 G HN 0.098 nan 8.290 nan 0.000 0.570 49 P HA 0.154 nan 4.420 nan 0.000 0.227 49 P C 0.687 178.250 177.300 0.437 0.000 1.145 49 P CA 1.576 64.906 63.100 0.384 0.000 0.769 49 P CB 0.048 31.949 31.700 0.334 0.000 0.769 50 I N -1.994 118.879 120.570 0.506 0.000 2.785 50 I HA 0.428 5.833 4.170 2.059 0.000 0.293 50 I C -1.836 174.437 176.117 0.260 0.000 1.446 50 I CA -1.315 60.198 61.300 0.356 0.000 1.028 50 I CB 1.414 39.490 38.000 0.126 0.000 1.349 50 I HN -0.180 nan 8.210 nan 0.000 0.438 51 Y N 4.472 124.773 120.300 0.003 0.000 2.713 51 Y HA 0.715 6.501 4.550 2.061 0.000 0.335 51 Y C -1.631 174.133 175.900 -0.226 0.000 1.222 51 Y CA -1.175 56.797 58.100 -0.214 0.000 1.061 51 Y CB 1.058 39.355 38.460 -0.271 0.000 1.314 51 Y HN 0.553 nan 8.280 nan 0.000 0.453 52 R N 0.654 121.055 120.500 -0.165 0.000 2.923 52 R HA 0.679 6.254 4.340 2.059 0.000 0.252 52 R C -1.498 174.722 176.300 -0.133 0.000 1.130 52 R CA -1.188 54.801 56.100 -0.186 0.000 1.043 52 R CB 2.136 32.285 30.300 -0.252 0.000 1.205 52 R HN 0.874 nan 8.270 nan 0.000 0.495 53 E N 1.446 121.559 120.200 -0.146 0.000 2.716 53 E HA 0.041 5.626 4.350 2.059 0.000 0.379 53 E C -1.739 174.758 176.600 -0.172 0.000 0.969 53 E CA -0.296 56.008 56.400 -0.160 0.000 0.735 53 E CB 0.966 30.576 29.700 -0.150 0.000 1.498 53 E HN 0.337 nan 8.360 nan 0.000 0.395 54 K N 4.368 124.650 120.400 -0.197 0.000 2.276 54 K HA 0.360 5.915 4.320 2.059 0.000 0.283 54 K C -1.006 175.430 176.600 -0.274 0.000 1.044 54 K CA -0.403 55.747 56.287 -0.228 0.000 0.944 54 K CB 0.538 32.898 32.500 -0.233 0.000 1.012 54 K HN 0.374 nan 8.250 nan 0.000 0.472 55 L N 4.852 125.885 121.223 -0.317 0.000 2.353 55 L HA 0.328 5.904 4.340 2.059 0.000 0.270 55 L C 0.740 177.380 176.870 -0.382 0.000 1.003 55 L CA 0.028 54.642 54.840 -0.375 0.000 0.862 55 L CB 1.382 43.144 42.059 -0.494 0.000 1.221 55 L HN 1.072 nan 8.230 nan 0.000 0.430 56 G N 2.986 111.501 108.800 -0.476 0.000 2.687 56 G HA2 -0.389 4.806 3.960 2.059 0.000 0.303 56 G HA3 -0.389 4.806 3.960 2.059 0.000 0.303 56 G C 0.755 175.078 174.900 -0.961 0.000 1.209 56 G CA 0.696 45.204 45.100 -0.987 0.000 0.968 56 G HN 0.561 nan 8.290 nan 0.000 0.549 57 N N 0.123 118.474 118.700 -0.581 0.000 2.197 57 N HA 0.331 6.306 4.740 2.059 0.000 0.201 57 N C -0.020 175.338 175.510 -0.253 0.000 1.148 57 N CA 0.021 52.837 53.050 -0.390 0.000 0.883 57 N CB 0.398 38.730 38.487 -0.258 0.000 1.012 57 N HN 0.307 nan 8.380 nan 0.000 0.507 58 L N 1.655 122.731 121.223 -0.246 0.000 2.282 58 L HA 0.329 5.904 4.340 2.059 0.000 0.287 58 L C 0.329 177.072 176.870 -0.212 0.000 1.075 58 L CA -0.337 54.389 54.840 -0.191 0.000 0.839 58 L CB -0.248 41.712 42.059 -0.165 0.000 1.219 58 L HN 0.095 nan 8.230 nan 0.000 0.434 59 E N 1.919 122.013 120.200 -0.178 0.000 2.221 59 E HA 0.791 6.376 4.350 2.059 0.000 0.268 59 E C -0.728 175.779 176.600 -0.155 0.000 0.933 59 E CA -0.414 55.897 56.400 -0.150 0.000 0.809 59 E CB 1.593 31.232 29.700 -0.102 0.000 1.190 59 E HN 0.542 nan 8.360 nan 0.000 0.406 60 S N 1.360 116.992 115.700 -0.114 0.000 2.578 60 S HA 0.475 6.180 4.470 2.059 0.000 0.272 60 S C -1.481 173.071 174.600 -0.081 0.000 1.145 60 S CA -0.922 57.173 58.200 -0.176 0.000 0.835 60 S CB 1.082 64.097 63.200 -0.309 0.000 1.104 60 S HN 0.284 nan 8.310 nan 0.000 0.458 61 V N 1.769 121.568 119.914 -0.192 0.000 2.850 61 V HA 0.627 5.983 4.120 2.059 0.000 0.315 61 V C -1.337 174.600 176.094 -0.261 0.000 1.064 61 V CA -0.570 61.644 62.300 -0.144 0.000 0.979 61 V CB 1.454 33.195 31.823 -0.136 0.000 1.039 61 V HN 0.924 nan 8.190 nan 0.000 0.452 62 Y N 3.276 123.284 120.300 -0.487 0.000 2.373 62 Y HA 0.699 6.486 4.550 2.062 0.000 0.336 62 Y C 0.116 175.993 175.900 -0.038 0.000 0.979 62 Y CA -0.797 57.047 58.100 -0.428 0.000 1.080 62 Y CB 1.907 39.767 38.460 -1.000 0.000 1.190 62 Y HN 0.527 nan 8.280 nan 0.000 0.446 63 I N 0.899 121.563 120.570 0.157 0.000 2.957 63 I HA 0.580 5.985 4.170 2.059 0.000 0.310 63 I C -0.365 175.707 176.117 -0.076 0.000 1.063 63 I CA -0.830 60.526 61.300 0.093 0.000 1.033 63 I CB 2.849 40.830 38.000 -0.032 0.000 1.230 63 I HN 0.774 nan 8.210 nan 0.000 0.447 64 I N -0.048 120.330 120.570 -0.319 0.000 5.046 64 I HA 0.160 5.565 4.170 2.059 0.000 0.341 64 I C 0.192 176.022 176.117 -0.479 0.000 1.257 64 I CA -0.103 60.928 61.300 -0.449 0.000 1.421 64 I CB 0.572 38.061 38.000 -0.853 0.000 1.495 64 I HN 0.570 nan 8.210 nan 0.000 0.518 65 H N 2.846 121.716 119.070 -0.332 0.000 2.767 65 H HA 0.143 5.933 4.556 2.058 0.000 0.316 65 H C -1.710 173.273 175.328 -0.575 0.000 1.059 65 H CA -1.160 54.605 56.048 -0.471 0.000 1.461 65 H CB 1.207 30.874 29.762 -0.158 0.000 1.475 65 H HN 0.055 nan 8.280 nan 0.000 0.531 66 P HA -0.288 nan 4.420 nan 0.000 0.216 66 P C 1.479 178.464 177.300 -0.524 0.000 1.167 66 P CA 2.066 64.568 63.100 -0.997 0.000 0.914 66 P CB 0.154 31.049 31.700 -1.342 0.000 0.793 67 E N -0.131 119.867 120.200 -0.337 0.000 2.147 67 E HA -0.284 5.302 4.350 2.059 0.000 0.199 67 E C 1.297 177.867 176.600 -0.049 0.000 1.005 67 E CA 1.983 58.292 56.400 -0.151 0.000 0.810 67 E CB -1.289 28.344 29.700 -0.113 0.000 0.736 67 E HN 0.284 nan 8.360 nan 0.000 0.460 68 D N 0.705 121.075 120.400 -0.051 0.000 2.144 68 D HA -0.112 5.763 4.640 2.059 0.000 0.200 68 D C 2.072 178.369 176.300 -0.006 0.000 0.978 68 D CA 1.563 55.568 54.000 0.009 0.000 0.833 68 D CB 0.089 40.886 40.800 -0.004 0.000 0.961 68 D HN 0.137 nan 8.370 nan 0.000 0.470 69 V N 1.116 120.997 119.914 -0.055 0.000 2.283 69 V HA -0.205 5.150 4.120 2.059 0.000 0.243 69 V C 2.495 178.663 176.094 0.124 0.000 1.039 69 V CA 1.562 63.854 62.300 -0.014 0.000 1.016 69 V CB -1.114 30.772 31.823 0.104 0.000 0.650 69 V HN 0.215 nan 8.190 nan 0.000 0.449 70 A N -0.179 122.737 122.820 0.160 0.000 1.893 70 A HA -0.423 5.132 4.320 2.059 0.000 0.222 70 A C 2.227 179.964 177.584 0.254 0.000 1.309 70 A CA 2.910 55.069 52.037 0.204 0.000 0.681 70 A CB -1.424 17.634 19.000 0.097 0.000 0.842 70 A HN 0.766 nan 8.150 nan 0.000 0.468 71 H N -1.224 117.896 119.070 0.083 0.000 2.319 71 H HA -0.150 5.641 4.556 2.059 0.000 0.299 71 H C 2.097 177.533 175.328 0.179 0.000 1.092 71 H CA 1.548 57.672 56.048 0.127 0.000 1.302 71 H CB -0.103 29.719 29.762 0.100 0.000 1.373 71 H HN 0.405 nan 8.280 nan 0.000 0.497 72 L N 0.418 121.668 121.223 0.045 0.000 2.079 72 L HA -0.188 5.387 4.340 2.059 0.000 0.210 72 L C 1.852 178.702 176.870 -0.033 0.000 1.081 72 L CA 1.424 56.201 54.840 -0.105 0.000 0.752 72 L CB -0.782 41.119 42.059 -0.264 0.000 0.896 72 L HN 0.172 nan 8.230 nan 0.000 0.433 73 F N 0.317 120.327 119.950 0.099 0.000 2.216 73 F HA -0.171 5.587 4.527 2.051 0.000 0.300 73 F C 2.498 178.360 175.800 0.102 0.000 1.085 73 F CA 1.607 59.675 58.000 0.112 0.000 1.326 73 F CB -0.694 38.376 39.000 0.118 0.000 1.027 73 F HN 0.159 nan 8.300 nan 0.000 0.497 74 K N 0.085 120.634 120.400 0.249 0.000 2.059 74 K HA -0.244 5.311 4.320 2.059 0.000 0.212 74 K C 1.385 177.898 176.600 -0.144 0.000 1.050 74 K CA 2.032 58.328 56.287 0.015 0.000 0.927 74 K CB -0.443 32.012 32.500 -0.074 0.000 0.714 74 K HN 0.245 nan 8.250 nan 0.000 0.447 75 F N 1.248 121.209 119.950 0.019 0.000 2.692 75 F HA 0.114 5.876 4.527 2.058 0.000 0.303 75 F C 1.687 177.489 175.800 0.004 0.000 1.114 75 F CA 0.187 58.180 58.000 -0.013 0.000 1.361 75 F CB 0.036 38.987 39.000 -0.081 0.000 1.063 75 F HN 0.263 nan 8.300 nan 0.000 0.550 76 E N 0.239 120.553 120.200 0.190 0.000 2.150 76 E HA 0.262 5.847 4.350 2.059 0.000 0.193 76 E C 1.407 178.080 176.600 0.122 0.000 0.985 76 E CA 0.796 57.294 56.400 0.163 0.000 0.814 76 E CB -0.053 29.811 29.700 0.274 0.000 0.752 76 E HN 0.245 nan 8.360 nan 0.000 0.466 77 G N 0.076 108.937 108.800 0.102 0.000 2.362 77 G HA2 -0.229 4.966 3.960 2.059 0.000 0.517 77 G HA3 -0.229 4.966 3.960 2.059 0.000 0.517 77 G C 0.364 175.289 174.900 0.042 0.000 1.256 77 G CA 0.044 45.171 45.100 0.046 0.000 1.027 77 G HN 0.242 nan 8.290 nan 0.000 0.491 78 S N -1.538 114.149 115.700 -0.022 0.000 2.475 78 S HA 0.302 6.007 4.470 2.059 0.000 0.224 78 S C 0.653 175.396 174.600 0.240 0.000 1.042 78 S CA 0.875 59.077 58.200 0.004 0.000 0.935 78 S CB 0.067 63.147 63.200 -0.200 0.000 0.801 78 S HN 0.657 nan 8.310 nan 0.000 0.509 79 Y N 2.700 123.004 120.300 0.005 0.000 2.863 79 Y HA 0.468 5.112 4.550 0.157 0.000 0.348 79 Y C -2.445 173.279 175.900 -0.295 0.000 1.028 79 Y CA -2.776 55.235 58.100 -0.147 0.000 1.213 79 Y CB 0.788 39.228 38.460 -0.034 0.000 1.120 79 Y HN 0.303 nan 8.280 nan 0.000 0.598 80 P HA 0.073 nan 4.420 nan 0.000 0.280 80 P C -0.721 176.455 177.300 -0.206 0.000 1.278 80 P CA -0.235 62.794 63.100 -0.118 0.000 0.787 80 P CB 0.840 32.534 31.700 -0.010 0.000 1.163 81 E N -0.597 119.577 120.200 -0.044 0.000 2.428 81 E HA 0.184 5.769 4.350 2.059 0.000 0.307 81 E C -0.737 175.978 176.600 0.192 0.000 0.902 81 E CA -0.682 55.715 56.400 -0.005 0.000 0.799 81 E CB 0.829 30.502 29.700 -0.044 0.000 1.351 81 E HN 0.406 nan 8.360 nan 0.000 0.392 82 R N 3.033 123.628 120.500 0.158 0.000 2.606 82 R HA 0.356 5.931 4.340 2.059 0.000 0.249 82 R C -0.373 176.139 176.300 0.354 0.000 1.127 82 R CA -0.718 55.513 56.100 0.219 0.000 1.133 82 R CB 0.535 30.927 30.300 0.153 0.000 1.243 82 R HN 0.460 nan 8.270 nan 0.000 0.558 83 Y N 0.644 121.032 120.300 0.146 0.000 2.610 83 Y HA -0.025 5.758 4.550 2.056 0.000 0.332 83 Y C -0.649 175.309 175.900 0.097 0.000 1.201 83 Y CA -0.051 58.141 58.100 0.153 0.000 1.465 83 Y CB 0.802 39.279 38.460 0.030 0.000 1.283 83 Y HN 0.570 nan 8.280 nan 0.000 0.563 84 D N 6.703 126.919 120.400 -0.306 0.000 2.454 84 D HA 0.188 6.063 4.640 2.059 0.000 0.225 84 D C -0.332 175.598 176.300 -0.617 0.000 1.081 84 D CA -0.242 53.564 54.000 -0.324 0.000 0.864 84 D CB 0.589 41.343 40.800 -0.077 0.000 1.040 84 D HN 0.337 nan 8.370 nan 0.000 0.517 85 I N 4.388 124.613 120.570 -0.575 0.000 3.085 85 I HA -0.098 5.307 4.170 2.059 0.000 0.302 85 I C -1.195 174.788 176.117 -0.223 0.000 1.234 85 I CA -0.876 60.066 61.300 -0.597 0.000 1.396 85 I CB -0.041 37.263 38.000 -1.160 0.000 1.385 85 I HN 0.179 nan 8.210 nan 0.000 0.533 86 P HA -0.085 nan 4.420 nan 0.000 0.215 86 P C -1.134 176.285 177.300 0.198 0.000 1.153 86 P CA 1.392 64.510 63.100 0.029 0.000 0.853 86 P CB -0.761 30.965 31.700 0.044 0.000 0.788 87 P HA -0.171 nan 4.420 nan 0.000 0.216 87 P C 1.211 178.940 177.300 0.714 0.000 1.153 87 P CA 1.533 64.888 63.100 0.425 0.000 0.848 87 P CB -0.586 31.188 31.700 0.124 0.000 0.787 88 W N -0.053 121.560 121.300 0.520 0.000 2.355 88 W HA -0.061 5.831 4.660 2.054 0.000 0.309 88 W C 2.345 179.021 176.519 0.261 0.000 1.206 88 W CA 0.154 57.803 57.345 0.505 0.000 1.284 88 W CB -1.990 27.896 29.460 0.709 0.000 1.145 88 W HN -0.079 nan 8.180 nan 0.000 0.502 89 L N 1.061 122.563 121.223 0.465 0.000 2.046 89 L HA -0.081 5.494 4.340 2.059 0.000 0.208 89 L C 2.436 179.405 176.870 0.164 0.000 1.077 89 L CA 2.493 57.421 54.840 0.146 0.000 0.747 89 L CB -1.443 40.737 42.059 0.203 0.000 0.896 89 L HN -0.063 nan 8.230 nan 0.000 0.432 90 A N -1.156 121.828 122.820 0.272 0.000 1.865 90 A HA -0.343 5.212 4.320 2.059 0.000 0.217 90 A C 2.338 180.148 177.584 0.376 0.000 1.191 90 A CA 2.056 54.248 52.037 0.258 0.000 0.623 90 A CB -1.424 17.716 19.000 0.232 0.000 0.826 90 A HN 0.627 nan 8.150 nan 0.000 0.444 91 Y N 0.415 121.006 120.300 0.486 0.000 2.102 91 Y HA -0.383 5.402 4.550 2.057 0.000 0.280 91 Y C 2.432 178.394 175.900 0.103 0.000 1.178 91 Y CA 2.749 61.074 58.100 0.375 0.000 1.146 91 Y CB -0.540 37.965 38.460 0.074 0.000 0.968 91 Y HN 0.551 nan 8.280 nan 0.000 0.504 92 H N -0.605 118.439 119.070 -0.045 0.000 2.357 92 H HA -0.037 5.756 4.556 2.061 0.000 0.301 92 H C 2.249 177.458 175.328 -0.198 0.000 1.082 92 H CA 2.036 57.951 56.048 -0.222 0.000 1.342 92 H CB -0.138 29.405 29.762 -0.366 0.000 1.389 92 H HN 0.326 nan 8.280 nan 0.000 0.511 93 R N -0.694 119.822 120.500 0.026 0.000 2.062 93 R HA -0.089 5.487 4.340 2.059 0.000 0.229 93 R C 1.999 178.277 176.300 -0.036 0.000 1.128 93 R CA 1.275 57.372 56.100 -0.005 0.000 0.960 93 R CB -0.691 29.620 30.300 0.018 0.000 0.855 93 R HN 0.354 nan 8.270 nan 0.000 0.432 94 Y N 0.448 120.626 120.300 -0.203 0.000 2.081 94 Y HA -0.346 5.438 4.550 2.057 0.000 0.280 94 Y C 1.772 177.347 175.900 -0.541 0.000 1.163 94 Y CA 1.587 59.472 58.100 -0.358 0.000 1.135 94 Y CB -0.056 38.185 38.460 -0.364 0.000 0.970 94 Y HN 0.008 nan 8.280 nan 0.000 0.498 95 Y N -0.056 120.016 120.300 -0.380 0.000 2.439 95 Y HA -0.074 5.710 4.550 2.058 0.000 0.292 95 Y C 0.768 176.449 175.900 -0.364 0.000 1.130 95 Y CA 0.983 58.773 58.100 -0.516 0.000 1.254 95 Y CB -0.476 37.516 38.460 -0.781 0.000 1.000 95 Y HN 0.222 nan 8.280 nan 0.000 0.554 96 Q N 0.397 120.086 119.800 -0.184 0.000 2.454 96 Q HA -0.165 5.411 4.340 2.059 0.000 0.307 96 Q C -0.893 175.036 176.000 -0.118 0.000 1.430 96 Q CA 0.148 55.881 55.803 -0.117 0.000 0.786 96 Q CB -1.059 27.619 28.738 -0.101 0.000 1.115 96 Q HN 0.184 nan 8.270 nan 0.000 0.389 97 K N 1.535 121.839 120.400 -0.160 0.000 2.130 97 K HA 0.443 5.998 4.320 2.059 0.000 0.268 97 K C -2.111 174.487 176.600 -0.003 0.000 0.983 97 K CA -1.978 54.194 56.287 -0.192 0.000 0.893 97 K CB 0.739 32.917 32.500 -0.536 0.000 1.066 97 K HN 0.062 nan 8.250 nan 0.000 0.450 98 P HA 0.150 nan 4.420 nan 0.000 0.271 98 P C -0.095 177.360 177.300 0.257 0.000 1.226 98 P CA -0.221 62.966 63.100 0.145 0.000 0.765 98 P CB 0.256 32.045 31.700 0.149 0.000 0.835 99 I N 0.245 120.947 120.570 0.221 0.000 2.783 99 I HA 0.826 6.231 4.170 2.059 0.000 0.312 99 I C 0.453 176.740 176.117 0.284 0.000 0.988 99 I CA -0.752 60.712 61.300 0.273 0.000 1.182 99 I CB 1.718 39.807 38.000 0.149 0.000 1.368 99 I HN 0.342 nan 8.210 nan 0.000 0.511 100 G N 1.563 110.575 108.800 0.354 0.000 3.262 100 G HA2 0.438 5.633 3.960 2.059 0.000 0.229 100 G HA3 0.438 5.633 3.960 2.059 0.000 0.229 100 G C 0.804 175.852 174.900 0.247 0.000 1.280 100 G CA -0.109 45.142 45.100 0.251 0.000 0.951 100 G HN 0.857 nan 8.290 nan 0.000 0.589 101 V N -1.100 118.909 119.914 0.159 0.000 2.311 101 V HA -0.246 5.110 4.120 2.059 0.000 0.256 101 V C 2.656 178.908 176.094 0.263 0.000 1.077 101 V CA 2.350 64.752 62.300 0.170 0.000 1.067 101 V CB -1.140 30.718 31.823 0.057 0.000 0.659 101 V HN 0.416 nan 8.190 nan 0.000 0.451 102 L N -0.377 120.937 121.223 0.153 0.000 2.042 102 L HA -0.064 5.511 4.340 2.059 0.000 0.210 102 L C 2.197 178.868 176.870 -0.332 0.000 1.076 102 L CA 2.237 57.020 54.840 -0.094 0.000 0.749 102 L CB -0.523 41.393 42.059 -0.237 0.000 0.893 102 L HN 0.378 nan 8.230 nan 0.000 0.432 103 F N -1.437 118.603 119.950 0.150 0.000 2.678 103 F HA 0.201 5.964 4.527 2.059 0.000 0.291 103 F C 1.263 177.127 175.800 0.107 0.000 1.123 103 F CA -0.380 57.670 58.000 0.085 0.000 1.395 103 F CB -0.360 38.623 39.000 -0.028 0.000 1.121 103 F HN -0.240 nan 8.300 nan 0.000 0.592 104 K N 1.612 122.206 120.400 0.323 0.000 2.485 104 K HA 0.082 5.637 4.320 2.059 0.000 0.277 104 K C -0.246 176.513 176.600 0.265 0.000 0.990 104 K CA 0.365 56.828 56.287 0.294 0.000 0.994 104 K CB 0.439 33.123 32.500 0.306 0.000 0.906 104 K HN -0.201 nan 8.250 nan 0.000 0.488 105 K N 1.459 121.970 120.400 0.187 0.000 2.397 105 K HA 0.343 5.898 4.320 2.059 0.000 0.253 105 K C -0.888 175.789 176.600 0.129 0.000 0.932 105 K CA -0.115 56.233 56.287 0.102 0.000 0.795 105 K CB 1.611 34.139 32.500 0.046 0.000 1.159 105 K HN 0.710 nan 8.250 nan 0.000 0.424 106 S N 0.807 116.579 115.700 0.120 0.000 3.786 106 S HA -0.185 5.520 4.470 2.059 0.000 0.632 106 S C 1.182 175.786 174.600 0.007 0.000 2.181 106 S CA 0.643 58.968 58.200 0.208 0.000 2.807 106 S CB -1.530 61.796 63.200 0.210 0.000 0.312 106 S HN 0.849 nan 8.310 nan 0.000 1.420 107 G N 0.244 109.080 108.800 0.061 0.000 2.448 107 G HA2 -0.096 5.099 3.960 2.059 0.000 0.219 107 G HA3 -0.096 5.099 3.960 2.059 0.000 0.219 107 G C 1.239 176.103 174.900 -0.059 0.000 1.127 107 G CA 1.946 46.992 45.100 -0.091 0.000 0.766 107 G HN 0.766 nan 8.290 nan 0.000 0.552 108 T N -0.181 114.391 114.554 0.030 0.000 2.684 108 T HA -0.193 5.392 4.350 2.059 0.000 0.267 108 T C 1.825 176.549 174.700 0.040 0.000 1.036 108 T CA 1.404 63.528 62.100 0.040 0.000 1.148 108 T CB -0.279 68.635 68.868 0.076 0.000 0.863 108 T HN 0.609 nan 8.240 nan 0.000 0.436 109 W N 2.306 123.535 121.300 -0.118 0.000 2.355 109 W HA -0.135 5.678 4.660 1.921 0.000 0.309 109 W C 2.351 178.770 176.519 -0.167 0.000 1.206 109 W CA 1.353 58.632 57.345 -0.111 0.000 1.284 109 W CB -0.242 29.160 29.460 -0.097 0.000 1.145 109 W HN 0.020 nan 8.180 nan 0.000 0.502 110 K N 1.273 121.524 120.400 -0.247 0.000 2.063 110 K HA -0.227 5.328 4.320 2.059 0.000 0.208 110 K C 2.124 178.427 176.600 -0.495 0.000 1.048 110 K CA 2.131 58.050 56.287 -0.613 0.000 0.928 110 K CB -0.641 31.569 32.500 -0.483 0.000 0.713 110 K HN 0.162 nan 8.250 nan 0.000 0.442 111 K N 0.273 120.494 120.400 -0.298 0.000 2.015 111 K HA -0.225 5.330 4.320 2.059 0.000 0.216 111 K C 1.463 177.920 176.600 -0.239 0.000 1.052 111 K CA 2.329 58.496 56.287 -0.200 0.000 0.937 111 K CB -0.303 32.129 32.500 -0.113 0.000 0.719 111 K HN 0.173 nan 8.250 nan 0.000 0.446 112 D N -0.408 119.830 120.400 -0.270 0.000 2.144 112 D HA -0.156 5.719 4.640 2.059 0.000 0.199 112 D C 1.988 178.096 176.300 -0.320 0.000 0.984 112 D CA 1.085 54.939 54.000 -0.244 0.000 0.834 112 D CB -0.134 40.550 40.800 -0.193 0.000 0.955 112 D HN 0.175 nan 8.370 nan 0.000 0.465 113 R N 0.440 120.613 120.500 -0.545 0.000 2.189 113 R HA -0.008 5.567 4.340 2.059 0.000 0.218 113 R C 1.661 177.757 176.300 -0.340 0.000 1.074 113 R CA 0.550 56.328 56.100 -0.537 0.000 0.991 113 R CB -0.250 29.450 30.300 -1.000 0.000 0.883 113 R HN 0.027 nan 8.270 nan 0.000 0.457 114 V N -0.509 119.225 119.914 -0.301 0.000 2.255 114 V HA -0.197 5.158 4.120 2.059 0.000 0.243 114 V C 2.254 178.259 176.094 -0.147 0.000 1.038 114 V CA 1.678 63.867 62.300 -0.185 0.000 1.008 114 V CB -0.564 31.172 31.823 -0.144 0.000 0.645 114 V HN 0.136 nan 8.190 nan 0.000 0.449 115 V N 0.175 120.003 119.914 -0.143 0.000 2.222 115 V HA -0.360 4.996 4.120 2.059 0.000 0.252 115 V C 2.397 178.422 176.094 -0.114 0.000 1.060 115 V CA 2.513 64.744 62.300 -0.115 0.000 1.027 115 V CB -0.798 30.961 31.823 -0.106 0.000 0.644 115 V HN 0.445 nan 8.190 nan 0.000 0.448 116 L N 0.130 121.276 121.223 -0.128 0.000 2.187 116 L HA -0.200 5.375 4.340 2.059 0.000 0.213 116 L C 2.503 179.314 176.870 -0.098 0.000 1.100 116 L CA 1.479 56.255 54.840 -0.107 0.000 0.765 116 L CB -0.669 41.322 42.059 -0.113 0.000 0.904 116 L HN 0.493 nan 8.230 nan 0.000 0.437 117 N N -0.809 117.823 118.700 -0.113 0.000 2.171 117 N HA -0.124 5.851 4.740 2.059 0.000 0.184 117 N C 1.743 177.191 175.510 -0.104 0.000 1.021 117 N CA 1.799 54.787 53.050 -0.102 0.000 0.854 117 N CB -0.141 38.284 38.487 -0.103 0.000 0.994 117 N HN 0.295 nan 8.380 nan 0.000 0.426 118 T N 0.777 115.268 114.554 -0.105 0.000 2.788 118 T HA -0.118 5.467 4.350 2.059 0.000 0.268 118 T C 1.618 176.245 174.700 -0.122 0.000 1.044 118 T CA 1.199 63.235 62.100 -0.107 0.000 1.139 118 T CB -0.034 68.776 68.868 -0.096 0.000 0.867 118 T HN 0.134 nan 8.240 nan 0.000 0.454 119 E N 0.464 120.599 120.200 -0.110 0.000 2.479 119 E HA 0.072 5.657 4.350 2.059 0.000 0.193 119 E C 1.535 178.083 176.600 -0.087 0.000 1.049 119 E CA 0.023 56.358 56.400 -0.108 0.000 0.870 119 E CB 0.363 30.011 29.700 -0.086 0.000 0.944 119 E HN 0.458 nan 8.360 nan 0.000 0.492 120 V N -3.707 116.161 119.914 -0.078 0.000 3.400 120 V HA 0.292 5.647 4.120 2.059 0.000 0.281 120 V C 1.003 177.073 176.094 -0.040 0.000 1.617 120 V CA -0.137 62.165 62.300 0.004 0.000 1.044 120 V CB 0.376 32.238 31.823 0.065 0.000 0.858 120 V HN 0.041 nan 8.190 nan 0.000 0.425 121 M N 0.966 120.506 119.600 -0.100 0.000 2.279 121 M HA 0.562 6.277 4.480 2.059 0.000 0.278 121 M C 1.227 177.448 176.300 -0.133 0.000 1.142 121 M CA 0.898 56.134 55.300 -0.108 0.000 1.119 121 M CB 0.765 33.307 32.600 -0.097 0.000 1.741 121 M HN 0.402 nan 8.290 nan 0.000 0.601 122 A N 3.148 125.883 122.820 -0.143 0.000 2.540 122 A HA 0.226 5.781 4.320 2.059 0.000 0.239 122 A C -1.828 175.660 177.584 -0.160 0.000 1.061 122 A CA -0.431 51.522 52.037 -0.140 0.000 0.758 122 A CB -0.681 18.236 19.000 -0.138 0.000 0.991 122 A HN 0.143 nan 8.150 nan 0.000 0.502 123 P HA 0.172 nan 4.420 nan 0.000 0.243 123 P C -0.004 177.220 177.300 -0.126 0.000 1.668 123 P CA 0.589 63.615 63.100 -0.123 0.000 0.898 123 P CB 0.130 31.775 31.700 -0.092 0.000 1.637 124 E N -0.707 119.397 120.200 -0.159 0.000 2.489 124 E HA 0.175 5.761 4.350 2.059 0.000 0.208 124 E C 1.650 178.105 176.600 -0.241 0.000 0.814 124 E CA 0.066 56.372 56.400 -0.156 0.000 1.348 124 E CB -0.202 29.430 29.700 -0.113 0.000 1.334 124 E HN 0.090 nan 8.360 nan 0.000 0.672 125 A N 1.412 124.042 122.820 -0.315 0.000 2.172 125 A HA -0.071 5.484 4.320 2.059 0.000 0.216 125 A C 1.909 178.935 177.584 -0.931 0.000 1.154 125 A CA 0.764 52.472 52.037 -0.548 0.000 0.701 125 A CB -0.272 18.449 19.000 -0.466 0.000 0.789 125 A HN 0.086 nan 8.150 nan 0.000 0.465 126 I N -0.482 119.764 120.570 -0.539 0.000 2.339 126 I HA -0.087 5.318 4.170 2.059 0.000 0.245 126 I C 2.142 178.125 176.117 -0.223 0.000 1.096 126 I CA 1.264 62.331 61.300 -0.389 0.000 1.408 126 I CB -1.143 36.754 38.000 -0.172 0.000 1.092 126 I HN 0.296 nan 8.210 nan 0.000 0.423 127 K N 0.813 121.113 120.400 -0.168 0.000 2.147 127 K HA -0.128 5.427 4.320 2.059 0.000 0.205 127 K C 1.313 177.883 176.600 -0.051 0.000 1.049 127 K CA 0.908 57.149 56.287 -0.076 0.000 0.936 127 K CB -0.054 32.408 32.500 -0.063 0.000 0.722 127 K HN 0.245 nan 8.250 nan 0.000 0.446 128 N N -0.079 118.542 118.700 -0.133 0.000 2.515 128 N HA -0.050 5.925 4.740 2.059 0.000 0.191 128 N C 0.455 176.057 175.510 0.153 0.000 1.182 128 N CA 0.699 53.721 53.050 -0.047 0.000 0.879 128 N CB 0.181 38.592 38.487 -0.126 0.000 0.984 128 N HN 0.094 nan 8.380 nan 0.000 0.453 129 F N 0.014 119.954 119.950 -0.016 0.000 2.602 129 F HA 0.319 6.081 4.527 2.057 0.000 0.284 129 F C 1.954 177.759 175.800 0.009 0.000 1.111 129 F CA -0.922 57.068 58.000 -0.016 0.000 1.405 129 F CB -0.600 38.379 39.000 -0.035 0.000 1.121 129 F HN -0.136 nan 8.300 nan 0.000 0.603 130 I N 2.006 122.699 120.570 0.205 0.000 2.093 130 I HA -0.349 5.056 4.170 2.059 0.000 0.239 130 I C -0.298 175.892 176.117 0.122 0.000 1.026 130 I CA 2.204 63.584 61.300 0.133 0.000 1.295 130 I CB -1.814 36.239 38.000 0.088 0.000 1.007 130 I HN -0.004 nan 8.210 nan 0.000 0.401 131 P HA -0.168 nan 4.420 nan 0.000 0.219 131 P C 1.743 179.096 177.300 0.087 0.000 1.146 131 P CA 1.529 64.685 63.100 0.093 0.000 0.808 131 P CB -0.081 31.672 31.700 0.089 0.000 0.779 132 L N -1.480 119.799 121.223 0.094 0.000 2.270 132 L HA 0.028 5.603 4.340 2.059 0.000 0.210 132 L C 2.440 179.320 176.870 0.017 0.000 1.104 132 L CA 1.142 56.008 54.840 0.043 0.000 0.804 132 L CB -1.109 40.955 42.059 0.008 0.000 0.937 132 L HN 0.021 nan 8.230 nan 0.000 0.450 133 L N -1.242 120.011 121.223 0.050 0.000 2.349 133 L HA 0.013 5.588 4.340 2.059 0.000 0.200 133 L C 2.135 179.098 176.870 0.156 0.000 1.064 133 L CA 0.590 55.473 54.840 0.072 0.000 0.821 133 L CB -1.189 40.912 42.059 0.071 0.000 1.027 133 L HN 0.213 nan 8.230 nan 0.000 0.476 134 N N 1.201 119.998 118.700 0.161 0.000 2.073 134 N HA -0.189 5.786 4.740 2.059 0.000 0.199 134 N C -0.911 174.693 175.510 0.158 0.000 1.023 134 N CA 2.395 55.572 53.050 0.211 0.000 0.880 134 N CB -0.840 37.757 38.487 0.182 0.000 1.052 134 N HN 0.182 nan 8.380 nan 0.000 0.449 135 P HA -0.074 nan 4.420 nan 0.000 0.218 135 P C 1.351 178.697 177.300 0.077 0.000 1.149 135 P CA 1.010 64.143 63.100 0.055 0.000 0.817 135 P CB 0.026 31.754 31.700 0.047 0.000 0.785 136 V N 0.034 120.034 119.914 0.144 0.000 2.667 136 V HA -0.087 5.269 4.120 2.059 0.000 0.252 136 V C 2.486 178.793 176.094 0.354 0.000 1.065 136 V CA 1.896 64.337 62.300 0.234 0.000 1.083 136 V CB -1.239 30.710 31.823 0.209 0.000 0.692 136 V HN 0.161 nan 8.190 nan 0.000 0.468 137 S N -0.871 115.005 115.700 0.293 0.000 2.528 137 S HA -0.040 5.665 4.470 2.059 0.000 0.219 137 S C 1.881 176.413 174.600 -0.113 0.000 0.985 137 S CA 0.482 58.776 58.200 0.158 0.000 0.914 137 S CB 0.056 63.441 63.200 0.308 0.000 0.776 137 S HN 0.655 nan 8.310 nan 0.000 0.526 138 Q N 0.868 120.553 119.800 -0.192 0.000 2.089 138 Q HA -0.036 5.539 4.340 2.059 0.000 0.195 138 Q C 1.095 177.032 176.000 -0.106 0.000 0.963 138 Q CA 0.972 56.584 55.803 -0.319 0.000 0.834 138 Q CB -0.188 28.378 28.738 -0.287 0.000 0.906 138 Q HN 0.299 nan 8.270 nan 0.000 0.452 139 D N 0.299 120.694 120.400 -0.009 0.000 2.315 139 D HA -0.167 5.709 4.640 2.059 0.000 0.211 139 D C 1.101 177.433 176.300 0.054 0.000 0.977 139 D CA 0.915 54.936 54.000 0.035 0.000 0.894 139 D CB -0.098 40.750 40.800 0.079 0.000 0.910 139 D HN 0.176 nan 8.370 nan 0.000 0.490 140 F N -0.112 119.786 119.950 -0.087 0.000 2.530 140 F HA -0.002 5.760 4.527 2.060 0.000 0.292 140 F C 1.908 177.586 175.800 -0.203 0.000 1.109 140 F CA 0.282 58.200 58.000 -0.136 0.000 1.450 140 F CB 0.324 39.184 39.000 -0.234 0.000 1.114 140 F HN -0.225 nan 8.300 nan 0.000 0.560 141 V N -0.529 119.367 119.914 -0.030 0.000 2.626 141 V HA -0.223 5.132 4.120 2.059 0.000 0.252 141 V C 2.191 178.195 176.094 -0.150 0.000 1.067 141 V CA 2.078 64.350 62.300 -0.047 0.000 1.081 141 V CB -0.706 31.031 31.823 -0.144 0.000 0.686 141 V HN 0.312 nan 8.190 nan 0.000 0.468 142 S N -0.075 115.563 115.700 -0.103 0.000 2.388 142 S HA -0.028 5.678 4.470 2.059 0.000 0.223 142 S C 1.840 176.380 174.600 -0.100 0.000 1.034 142 S CA 0.806 58.999 58.200 -0.011 0.000 0.963 142 S CB -0.267 62.936 63.200 0.005 0.000 0.827 142 S HN 0.424 nan 8.310 nan 0.000 0.481 143 L N 2.247 123.333 121.223 -0.230 0.000 2.081 143 L HA -0.054 5.521 4.340 2.059 0.000 0.212 143 L C 1.871 178.454 176.870 -0.479 0.000 1.080 143 L CA 1.627 56.262 54.840 -0.342 0.000 0.754 143 L CB -0.565 41.239 42.059 -0.425 0.000 0.893 143 L HN 0.291 nan 8.230 nan 0.000 0.433 144 L N -2.062 118.800 121.223 -0.601 0.000 2.109 144 L HA -0.178 5.397 4.340 2.059 0.000 0.207 144 L C 2.572 179.194 176.870 -0.413 0.000 1.086 144 L CA 0.705 55.104 54.840 -0.735 0.000 0.760 144 L CB -0.914 40.464 42.059 -1.135 0.000 0.910 144 L HN 0.350 nan 8.230 nan 0.000 0.437 145 H N 0.901 119.854 119.070 -0.194 0.000 2.353 145 H HA -0.114 5.677 4.556 2.059 0.000 0.300 145 H C 1.846 177.090 175.328 -0.139 0.000 1.090 145 H CA 1.199 57.210 56.048 -0.062 0.000 1.327 145 H CB -0.004 29.767 29.762 0.015 0.000 1.383 145 H HN 0.191 nan 8.280 nan 0.000 0.508 146 K N 0.387 120.753 120.400 -0.057 0.000 2.589 146 K HA -0.017 5.538 4.320 2.059 0.000 0.192 146 K C 1.441 177.912 176.600 -0.216 0.000 1.029 146 K CA 0.179 56.393 56.287 -0.121 0.000 1.031 146 K CB 0.577 33.002 32.500 -0.126 0.000 0.821 146 K HN 0.027 nan 8.250 nan 0.000 0.502 147 R N -0.525 119.783 120.500 -0.321 0.000 2.350 147 R HA 0.235 5.810 4.340 2.059 0.000 0.199 147 R C 1.858 177.983 176.300 -0.292 0.000 0.876 147 R CA 0.270 56.078 56.100 -0.487 0.000 1.062 147 R CB -0.107 29.493 30.300 -1.168 0.000 1.263 147 R HN 0.118 nan 8.270 nan 0.000 0.641 148 I N 1.943 122.410 120.570 -0.172 0.000 2.226 148 I HA -0.280 5.125 4.170 2.059 0.000 0.245 148 I C 1.681 177.802 176.117 0.005 0.000 1.100 148 I CA 1.627 62.928 61.300 0.003 0.000 1.374 148 I CB -0.172 37.882 38.000 0.090 0.000 1.057 148 I HN 0.102 nan 8.210 nan 0.000 0.413 149 K N 0.323 120.710 120.400 -0.022 0.000 2.522 149 K HA -0.041 5.515 4.320 2.059 0.000 0.194 149 K C 1.780 178.357 176.600 -0.037 0.000 1.026 149 K CA 0.417 56.689 56.287 -0.024 0.000 1.119 149 K CB 0.186 32.665 32.500 -0.035 0.000 0.856 149 K HN 0.226 nan 8.250 nan 0.000 0.513 150 Q N 0.766 120.536 119.800 -0.051 0.000 2.548 150 Q HA 0.038 5.613 4.340 2.059 0.000 0.230 150 Q C 1.722 177.714 176.000 -0.014 0.000 0.899 150 Q CA 0.884 56.657 55.803 -0.051 0.000 0.936 150 Q CB 0.311 28.989 28.738 -0.100 0.000 1.114 150 Q HN 0.431 nan 8.270 nan 0.000 0.606 151 Q N -0.331 119.478 119.800 0.015 0.000 2.170 151 Q HA -0.037 5.538 4.340 2.059 0.000 0.203 151 Q C 1.189 177.207 176.000 0.029 0.000 0.976 151 Q CA 1.564 57.398 55.803 0.051 0.000 0.858 151 Q CB 0.095 28.900 28.738 0.112 0.000 0.907 151 Q HN 0.601 nan 8.270 nan 0.000 0.433 152 G N 0.395 109.207 108.800 0.021 0.000 2.308 152 G HA2 -0.297 4.898 3.960 2.059 0.000 0.221 152 G HA3 -0.297 4.898 3.960 2.059 0.000 0.221 152 G C 1.016 175.924 174.900 0.014 0.000 1.032 152 G CA 0.497 45.604 45.100 0.011 0.000 0.623 152 G HN 0.434 nan 8.290 nan 0.000 0.506 153 S N 0.760 116.473 115.700 0.022 0.000 2.660 153 S HA 0.479 6.184 4.470 2.059 0.000 0.227 153 S C 1.571 176.186 174.600 0.025 0.000 0.948 153 S CA 0.943 59.154 58.200 0.018 0.000 0.948 153 S CB 0.377 63.584 63.200 0.012 0.000 0.779 153 S HN 2.336 nan 8.310 nan 0.000 0.487 154 G N 1.950 110.772 108.800 0.037 0.000 2.291 154 G HA2 -0.219 4.977 3.960 2.059 0.000 0.271 154 G HA3 -0.219 4.977 3.960 2.059 0.000 0.271 154 G C -0.302 174.646 174.900 0.080 0.000 1.099 154 G CA 0.209 45.339 45.100 0.050 0.000 0.919 154 G HN 0.950 nan 8.290 nan 0.000 0.496 155 K N -1.712 118.753 120.400 0.108 0.000 2.755 155 K HA 0.770 6.325 4.320 2.059 0.000 0.294 155 K C -1.637 175.108 176.600 0.242 0.000 1.060 155 K CA -1.373 55.005 56.287 0.152 0.000 0.845 155 K CB 1.021 33.581 32.500 0.100 0.000 1.539 155 K HN 0.845 nan 8.250 nan 0.000 0.379 156 F N 1.250 121.237 119.950 0.062 0.000 2.588 156 F HA 0.580 6.342 4.527 2.058 0.000 0.318 156 F C -1.818 174.046 175.800 0.106 0.000 1.155 156 F CA -0.803 57.233 58.000 0.061 0.000 0.967 156 F CB 2.106 41.114 39.000 0.013 0.000 1.236 156 F HN 0.298 nan 8.300 nan 0.000 0.455 157 V N 4.858 124.529 119.914 -0.406 0.000 2.715 157 V HA 1.015 6.370 4.120 2.059 0.000 0.310 157 V C 0.064 175.719 176.094 -0.733 0.000 1.054 157 V CA 0.034 62.055 62.300 -0.464 0.000 0.928 157 V CB 1.394 33.088 31.823 -0.216 0.000 1.007 157 V HN 1.193 nan 8.190 nan 0.000 0.437 158 G N 2.928 111.488 108.800 -0.400 0.000 2.369 158 G HA2 0.260 5.455 3.960 2.059 0.000 0.307 158 G HA3 0.260 5.455 3.960 2.059 0.000 0.307 158 G C -1.894 173.099 174.900 0.154 0.000 1.327 158 G CA -0.542 44.499 45.100 -0.099 0.000 0.963 158 G HN 0.809 nan 8.290 nan 0.000 0.590 159 D N -0.086 120.435 120.400 0.202 0.000 2.373 159 D HA 0.479 6.354 4.640 2.059 0.000 0.227 159 D C 1.676 177.970 176.300 -0.010 0.000 1.091 159 D CA -0.434 53.519 54.000 -0.078 0.000 0.840 159 D CB 0.672 41.283 40.800 -0.314 0.000 1.060 159 D HN 0.742 nan 8.370 nan 0.000 0.502 160 I N 1.315 121.902 120.570 0.028 0.000 3.883 160 I HA 0.174 5.579 4.170 2.059 0.000 0.326 160 I C 1.683 177.786 176.117 -0.022 0.000 1.283 160 I CA -0.383 60.987 61.300 0.117 0.000 1.161 160 I CB 0.051 38.234 38.000 0.306 0.000 1.012 160 I HN 0.270 nan 8.210 nan 0.000 0.421 161 K N 2.051 122.337 120.400 -0.191 0.000 2.097 161 K HA -0.241 5.314 4.320 2.059 0.000 0.214 161 K C 1.841 177.995 176.600 -0.743 0.000 1.052 161 K CA 2.396 58.424 56.287 -0.432 0.000 0.932 161 K CB -0.042 32.148 32.500 -0.518 0.000 0.716 161 K HN 0.423 nan 8.250 nan 0.000 0.455 162 E N 0.326 120.157 120.200 -0.615 0.000 2.347 162 E HA -0.139 5.446 4.350 2.059 0.000 0.196 162 E C 1.329 177.656 176.600 -0.456 0.000 1.008 162 E CA 0.907 56.876 56.400 -0.718 0.000 0.852 162 E CB 0.043 29.506 29.700 -0.394 0.000 0.783 162 E HN 0.519 nan 8.360 nan 0.000 0.505 163 D N 0.396 120.740 120.400 -0.094 0.000 2.216 163 D HA -0.010 5.865 4.640 2.059 0.000 0.208 163 D C 2.179 178.731 176.300 0.419 0.000 0.960 163 D CA 0.223 54.377 54.000 0.258 0.000 0.861 163 D CB 0.157 41.137 40.800 0.299 0.000 0.985 163 D HN 0.169 nan 8.370 nan 0.000 0.493 164 L N 0.629 121.998 121.223 0.244 0.000 2.079 164 L HA -0.181 5.394 4.340 2.059 0.000 0.210 164 L C 2.437 179.543 176.870 0.394 0.000 1.081 164 L CA 0.865 55.864 54.840 0.265 0.000 0.752 164 L CB -0.380 41.749 42.059 0.116 0.000 0.896 164 L HN -0.027 nan 8.230 nan 0.000 0.433 165 F N -0.289 119.682 119.950 0.034 0.000 2.146 165 F HA -0.154 5.609 4.527 2.060 0.000 0.298 165 F C 2.561 178.425 175.800 0.108 0.000 1.096 165 F CA 1.067 59.059 58.000 -0.014 0.000 1.275 165 F CB -1.382 37.521 39.000 -0.160 0.000 1.008 165 F HN 0.176 nan 8.300 nan 0.000 0.480 166 H N -1.692 117.634 119.070 0.428 0.000 2.299 166 H HA -0.159 5.632 4.556 2.058 0.000 0.302 166 H C 2.070 177.605 175.328 0.346 0.000 1.078 166 H CA 1.395 57.660 56.048 0.362 0.000 1.323 166 H CB -0.529 29.413 29.762 0.300 0.000 1.381 166 H HN 0.108 nan 8.280 nan 0.000 0.498 167 F N 2.022 122.217 119.950 0.407 0.000 2.045 167 F HA -0.345 5.418 4.527 2.059 0.000 0.297 167 F C 2.469 178.391 175.800 0.204 0.000 1.114 167 F CA 1.591 59.769 58.000 0.297 0.000 1.207 167 F CB -0.896 38.227 39.000 0.205 0.000 0.964 167 F HN 0.122 nan 8.300 nan 0.000 0.486 168 A N -0.290 122.422 122.820 -0.180 0.000 1.908 168 A HA -0.221 5.334 4.320 2.059 0.000 0.218 168 A C 2.195 179.719 177.584 -0.100 0.000 1.181 168 A CA 1.663 53.518 52.037 -0.305 0.000 0.627 168 A CB -1.641 17.348 19.000 -0.020 0.000 0.818 168 A HN 0.545 nan 8.150 nan 0.000 0.445 169 F N 0.611 120.520 119.950 -0.068 0.000 2.325 169 F HA 0.001 5.762 4.527 2.057 0.000 0.299 169 F C 2.025 177.759 175.800 -0.109 0.000 1.090 169 F CA 1.545 59.514 58.000 -0.052 0.000 1.392 169 F CB -0.303 38.732 39.000 0.058 0.000 1.053 169 F HN 0.375 nan 8.300 nan 0.000 0.521 170 E N -0.036 120.090 120.200 -0.123 0.000 2.015 170 E HA -0.151 5.434 4.350 2.059 0.000 0.191 170 E C 2.335 178.766 176.600 -0.283 0.000 0.991 170 E CA 1.920 58.197 56.400 -0.205 0.000 0.802 170 E CB -0.460 29.224 29.700 -0.027 0.000 0.759 170 E HN 0.239 nan 8.360 nan 0.000 0.447 171 S N 0.122 115.621 115.700 -0.336 0.000 2.381 171 S HA -0.242 5.463 4.470 2.059 0.000 0.230 171 S C 1.870 176.265 174.600 -0.343 0.000 1.052 171 S CA 1.484 59.467 58.200 -0.362 0.000 1.068 171 S CB -0.435 62.438 63.200 -0.545 0.000 0.918 171 S HN 0.354 nan 8.310 nan 0.000 0.448 172 I N 1.170 121.545 120.570 -0.325 0.000 3.059 172 I HA -0.031 5.374 4.170 2.059 0.000 0.270 172 I C 1.833 177.705 176.117 -0.408 0.000 1.238 172 I CA 1.116 62.226 61.300 -0.316 0.000 1.478 172 I CB -0.509 37.387 38.000 -0.172 0.000 1.097 172 I HN 0.168 nan 8.210 nan 0.000 0.455 173 T N -0.299 113.973 114.554 -0.471 0.000 2.976 173 T HA -0.026 5.559 4.350 2.059 0.000 0.257 173 T C 1.704 176.203 174.700 -0.335 0.000 1.051 173 T CA 1.050 62.866 62.100 -0.473 0.000 1.141 173 T CB -0.262 68.188 68.868 -0.697 0.000 0.881 173 T HN 0.251 nan 8.240 nan 0.000 0.461 174 N N 0.945 119.464 118.700 -0.302 0.000 2.396 174 N HA -0.024 5.951 4.740 2.059 0.000 0.180 174 N C 1.506 176.881 175.510 -0.225 0.000 1.028 174 N CA 0.520 53.443 53.050 -0.212 0.000 0.893 174 N CB -0.222 38.172 38.487 -0.155 0.000 0.967 174 N HN 0.118 nan 8.380 nan 0.000 0.440 175 V N -0.150 119.548 119.914 -0.360 0.000 2.992 175 V HA 0.129 5.484 4.120 2.059 0.000 0.250 175 V C 1.766 177.599 176.094 -0.436 0.000 1.090 175 V CA 0.844 62.855 62.300 -0.481 0.000 1.101 175 V CB -0.162 31.153 31.823 -0.847 0.000 0.743 175 V HN 0.355 nan 8.190 nan 0.000 0.468 176 M N -1.850 117.439 119.600 -0.517 0.000 2.441 176 M HA 0.217 5.932 4.480 2.059 0.000 0.244 176 M C 0.820 176.618 176.300 -0.836 0.000 1.122 176 M CA 0.975 55.851 55.300 -0.706 0.000 1.041 176 M CB 0.458 32.487 32.600 -0.951 0.000 1.438 176 M HN 0.313 nan 8.290 nan 0.000 0.484 177 F N -1.844 117.912 119.950 -0.324 0.000 2.897 177 F HA 0.402 6.165 4.527 2.060 0.000 0.364 177 F C 1.480 177.067 175.800 -0.354 0.000 0.940 177 F CA 0.170 57.854 58.000 -0.526 0.000 1.106 177 F CB -0.009 38.322 39.000 -1.114 0.000 1.034 177 F HN 0.077 nan 8.300 nan 0.000 0.583 178 G N 0.968 109.776 108.800 0.012 0.000 2.153 178 G HA2 -0.234 4.961 3.960 2.059 0.000 0.252 178 G HA3 -0.234 4.961 3.960 2.059 0.000 0.252 178 G C 0.069 174.933 174.900 -0.059 0.000 0.994 178 G CA 0.396 45.553 45.100 0.095 0.000 0.698 178 G HN 0.252 nan 8.290 nan 0.000 0.521 179 E N -0.422 119.699 120.200 -0.131 0.000 2.293 179 E HA 0.454 6.039 4.350 2.059 0.000 0.270 179 E C 0.155 176.733 176.600 -0.037 0.000 0.879 179 E CA -0.878 55.491 56.400 -0.051 0.000 0.756 179 E CB 1.274 31.010 29.700 0.059 0.000 1.208 179 E HN 0.202 nan 8.360 nan 0.000 0.428 180 R N 1.894 122.397 120.500 0.005 0.000 2.500 180 R HA 0.361 5.936 4.340 2.059 0.000 0.275 180 R C 0.501 176.814 176.300 0.021 0.000 1.051 180 R CA -0.438 55.659 56.100 -0.004 0.000 1.088 180 R CB 0.803 31.106 30.300 0.005 0.000 1.063 180 R HN 0.318 nan 8.270 nan 0.000 0.511 181 L N -0.130 121.093 121.223 0.001 0.000 2.993 181 L HA 0.235 5.810 4.340 2.059 0.000 0.264 181 L C 0.908 177.796 176.870 0.030 0.000 1.154 181 L CA 0.649 55.503 54.840 0.023 0.000 0.972 181 L CB 0.393 42.440 42.059 -0.020 0.000 1.373 181 L HN 1.022 nan 8.230 nan 0.000 0.564 182 G N 0.682 109.496 108.800 0.023 0.000 2.298 182 G HA2 -0.286 4.909 3.960 2.059 0.000 0.287 182 G HA3 -0.286 4.909 3.960 2.059 0.000 0.287 182 G C 0.766 175.664 174.900 -0.003 0.000 1.075 182 G CA 0.565 45.675 45.100 0.016 0.000 0.960 182 G HN 0.100 nan 8.290 nan 0.000 0.502 183 M N -0.950 118.661 119.600 0.018 0.000 2.595 183 M HA 0.237 5.953 4.480 2.059 0.000 0.248 183 M C 1.942 178.192 176.300 -0.083 0.000 1.119 183 M CA 0.823 56.088 55.300 -0.059 0.000 1.079 183 M CB -0.354 32.322 32.600 0.126 0.000 1.472 183 M HN 0.411 nan 8.290 nan 0.000 0.501 184 L N -0.605 120.638 121.223 0.033 0.000 2.872 184 L HA 0.211 5.786 4.340 2.059 0.000 0.245 184 L C 0.432 177.290 176.870 -0.019 0.000 1.211 184 L CA -0.295 54.574 54.840 0.048 0.000 1.013 184 L CB -0.062 42.082 42.059 0.141 0.000 1.326 184 L HN 0.007 nan 8.230 nan 0.000 0.525 185 E N 0.255 120.429 120.200 -0.043 0.000 2.602 185 E HA 0.068 5.654 4.350 2.059 0.000 0.255 185 E C 1.120 177.686 176.600 -0.058 0.000 1.268 185 E CA -0.152 56.221 56.400 -0.045 0.000 1.007 185 E CB 0.632 30.311 29.700 -0.035 0.000 1.208 185 E HN -0.001 nan 8.360 nan 0.000 0.584 186 E N -0.394 119.777 120.200 -0.048 0.000 2.047 186 E HA -0.060 5.525 4.350 2.059 0.000 0.191 186 E C -0.273 176.304 176.600 -0.039 0.000 0.987 186 E CA 1.022 57.395 56.400 -0.046 0.000 0.799 186 E CB 0.229 29.906 29.700 -0.038 0.000 0.752 186 E HN 0.302 nan 8.360 nan 0.000 0.449 187 T N 2.193 116.727 114.554 -0.034 0.000 2.809 187 T HA 0.297 5.882 4.350 2.059 0.000 0.296 187 T C -0.051 174.628 174.700 -0.035 0.000 1.015 187 T CA -0.453 61.631 62.100 -0.026 0.000 0.954 187 T CB 1.526 70.387 68.868 -0.013 0.000 0.950 187 T HN 0.085 nan 8.240 nan 0.000 0.450 188 V N 2.411 122.292 119.914 -0.054 0.000 3.336 188 V HA 0.488 5.843 4.120 2.059 0.000 0.304 188 V C 0.577 176.668 176.094 -0.005 0.000 1.073 188 V CA -1.044 61.212 62.300 -0.073 0.000 1.074 188 V CB 0.723 32.416 31.823 -0.217 0.000 1.161 188 V HN 0.875 nan 8.190 nan 0.000 0.460 189 N N 2.216 120.934 118.700 0.030 0.000 2.475 189 N HA 0.241 6.216 4.740 2.059 0.000 0.267 189 N C -1.612 173.954 175.510 0.093 0.000 1.169 189 N CA -1.217 51.876 53.050 0.072 0.000 0.947 189 N CB 1.392 39.950 38.487 0.119 0.000 1.061 189 N HN 0.640 nan 8.380 nan 0.000 0.466 190 P HA -0.090 nan 4.420 nan 0.000 0.227 190 P C 0.747 178.101 177.300 0.090 0.000 1.161 190 P CA 0.816 63.963 63.100 0.078 0.000 0.788 190 P CB 0.221 31.950 31.700 0.049 0.000 0.822 191 E N 0.827 121.079 120.200 0.088 0.000 2.285 191 E HA -0.059 5.526 4.350 2.059 0.000 0.194 191 E C 1.545 178.248 176.600 0.172 0.000 0.997 191 E CA 0.825 57.277 56.400 0.086 0.000 0.845 191 E CB -0.114 29.602 29.700 0.028 0.000 0.782 191 E HN 0.119 nan 8.360 nan 0.000 0.491 192 A N 0.307 123.270 122.820 0.239 0.000 2.169 192 A HA 0.065 5.620 4.320 2.059 0.000 0.210 192 A C 1.987 179.745 177.584 0.290 0.000 1.168 192 A CA 0.031 52.296 52.037 0.379 0.000 0.813 192 A CB 0.146 19.429 19.000 0.473 0.000 0.861 192 A HN 0.099 nan 8.150 nan 0.000 0.481 193 Q N -0.090 119.845 119.800 0.226 0.000 2.269 193 Q HA -0.021 5.554 4.340 2.059 0.000 0.201 193 Q C 1.832 177.905 176.000 0.121 0.000 0.946 193 Q CA 0.851 56.776 55.803 0.202 0.000 0.877 193 Q CB 0.017 28.882 28.738 0.212 0.000 0.963 193 Q HN 0.719 nan 8.270 nan 0.000 0.472 194 K N -0.126 120.340 120.400 0.110 0.000 2.026 194 K HA -0.146 5.409 4.320 2.059 0.000 0.208 194 K C 1.937 178.548 176.600 0.018 0.000 1.048 194 K CA 1.038 57.358 56.287 0.056 0.000 0.929 194 K CB -0.211 32.321 32.500 0.054 0.000 0.713 194 K HN 0.068 nan 8.250 nan 0.000 0.439 195 F N 1.645 121.544 119.950 -0.084 0.000 2.171 195 F HA -0.146 5.615 4.527 2.057 0.000 0.300 195 F C 1.741 177.345 175.800 -0.328 0.000 1.090 195 F CA 1.289 59.181 58.000 -0.181 0.000 1.293 195 F CB -0.059 38.870 39.000 -0.119 0.000 1.013 195 F HN -0.012 nan 8.300 nan 0.000 0.486 196 I N -0.050 120.477 120.570 -0.072 0.000 2.394 196 I HA -0.240 5.165 4.170 2.059 0.000 0.251 196 I C 1.508 177.498 176.117 -0.213 0.000 1.136 196 I CA 1.383 62.561 61.300 -0.203 0.000 1.425 196 I CB -0.401 37.552 38.000 -0.078 0.000 1.079 196 I HN 0.109 nan 8.210 nan 0.000 0.425 197 D N 0.541 120.867 120.400 -0.123 0.000 2.354 197 D HA 0.098 5.973 4.640 2.059 0.000 0.209 197 D C 2.118 178.328 176.300 -0.150 0.000 1.015 197 D CA 0.666 54.632 54.000 -0.057 0.000 0.867 197 D CB 0.424 41.232 40.800 0.013 0.000 0.933 197 D HN 0.258 nan 8.370 nan 0.000 0.520 198 A N 0.984 123.625 122.820 -0.297 0.000 1.855 198 A HA -0.116 5.439 4.320 2.059 0.000 0.215 198 A C 2.439 179.660 177.584 -0.605 0.000 1.191 198 A CA 0.938 52.706 52.037 -0.449 0.000 0.613 198 A CB -0.803 17.864 19.000 -0.556 0.000 0.829 198 A HN 0.094 nan 8.150 nan 0.000 0.442 199 V N -1.553 117.925 119.914 -0.728 0.000 2.453 199 V HA -0.282 5.073 4.120 2.059 0.000 0.252 199 V C 2.307 178.141 176.094 -0.434 0.000 1.068 199 V CA 2.238 64.091 62.300 -0.744 0.000 1.070 199 V CB -0.854 30.578 31.823 -0.652 0.000 0.664 199 V HN 0.735 nan 8.190 nan 0.000 0.461 200 Y N -0.330 119.775 120.300 -0.325 0.000 2.503 200 Y HA 0.083 5.868 4.550 2.058 0.000 0.278 200 Y C 2.435 178.312 175.900 -0.039 0.000 1.111 200 Y CA 0.944 58.988 58.100 -0.093 0.000 1.270 200 Y CB 0.143 38.527 38.460 -0.127 0.000 1.063 200 Y HN -0.038 nan 8.280 nan 0.000 0.548 201 K N 0.498 120.806 120.400 -0.154 0.000 2.031 201 K HA -0.152 5.403 4.320 2.059 0.000 0.205 201 K C 2.161 178.625 176.600 -0.226 0.000 1.049 201 K CA 1.238 57.431 56.287 -0.156 0.000 0.939 201 K CB -0.540 31.872 32.500 -0.147 0.000 0.717 201 K HN 0.367 nan 8.250 nan 0.000 0.438 202 M N 0.199 119.512 119.600 -0.479 0.000 2.151 202 M HA -0.255 5.460 4.480 2.059 0.000 0.256 202 M C 1.987 178.162 176.300 -0.209 0.000 1.072 202 M CA 1.802 56.685 55.300 -0.695 0.000 1.090 202 M CB -0.833 30.982 32.600 -1.309 0.000 1.294 202 M HN 0.075 nan 8.290 nan 0.000 0.415 203 F N -0.534 119.291 119.950 -0.209 0.000 2.011 203 F HA -0.363 5.398 4.527 2.057 0.000 0.296 203 F C 2.587 178.334 175.800 -0.088 0.000 1.144 203 F CA 2.103 60.062 58.000 -0.068 0.000 1.185 203 F CB -1.056 37.803 39.000 -0.234 0.000 0.961 203 F HN 0.406 nan 8.300 nan 0.000 0.485 204 H N 0.083 119.049 119.070 -0.173 0.000 2.357 204 H HA -0.210 5.581 4.556 2.059 0.000 0.296 204 H C 1.891 177.236 175.328 0.029 0.000 1.108 204 H CA 2.150 58.089 56.048 -0.180 0.000 1.273 204 H CB -0.477 29.096 29.762 -0.314 0.000 1.367 204 H HN 0.228 nan 8.280 nan 0.000 0.498 205 T N -1.855 112.808 114.554 0.182 0.000 3.434 205 T HA 0.078 5.663 4.350 2.059 0.000 0.249 205 T C 1.480 176.371 174.700 0.318 0.000 1.050 205 T CA 0.354 62.601 62.100 0.245 0.000 0.952 205 T CB -0.299 68.752 68.868 0.304 0.000 1.046 205 T HN 0.448 nan 8.240 nan 0.000 0.590 206 S N -0.411 115.460 115.700 0.286 0.000 2.527 206 S HA 0.101 5.806 4.470 2.059 0.000 0.227 206 S C 1.774 176.482 174.600 0.179 0.000 1.059 206 S CA 0.265 58.613 58.200 0.246 0.000 0.919 206 S CB -0.538 62.983 63.200 0.534 0.000 0.805 206 S HN 0.270 nan 8.310 nan 0.000 0.500 207 V N 3.643 123.650 119.914 0.156 0.000 2.220 207 V HA -0.117 5.238 4.120 2.059 0.000 0.250 207 V C -0.804 175.450 176.094 0.266 0.000 1.056 207 V CA 2.361 64.800 62.300 0.231 0.000 1.016 207 V CB -1.840 30.073 31.823 0.150 0.000 0.639 207 V HN 0.397 nan 8.190 nan 0.000 0.446 208 P HA 0.006 nan 4.420 nan 0.000 0.239 208 P C 1.078 178.540 177.300 0.270 0.000 1.184 208 P CA 1.053 64.305 63.100 0.253 0.000 0.760 208 P CB -0.090 31.716 31.700 0.176 0.000 0.884 209 L N -2.180 119.174 121.223 0.219 0.000 2.766 209 L HA 0.184 5.759 4.340 2.059 0.000 0.242 209 L C 1.726 178.800 176.870 0.341 0.000 1.136 209 L CA 0.039 55.014 54.840 0.224 0.000 0.933 209 L CB -0.052 41.936 42.059 -0.119 0.000 1.241 209 L HN -0.009 nan 8.230 nan 0.000 0.522 210 L N -0.342 121.052 121.223 0.286 0.000 2.307 210 L HA 0.071 5.646 4.340 2.059 0.000 0.211 210 L C 0.871 177.862 176.870 0.202 0.000 1.099 210 L CA 0.699 55.684 54.840 0.242 0.000 0.816 210 L CB 0.086 42.301 42.059 0.260 0.000 0.952 210 L HN 0.325 nan 8.230 nan 0.000 0.455 211 N N 0.421 119.251 118.700 0.216 0.000 2.458 211 N HA 0.176 6.151 4.740 2.059 0.000 0.274 211 N C -0.879 174.737 175.510 0.177 0.000 1.242 211 N CA 0.238 53.346 53.050 0.096 0.000 0.904 211 N CB 1.174 39.623 38.487 -0.064 0.000 1.206 211 N HN 0.004 nan 8.380 nan 0.000 0.510 212 V N -2.446 117.577 119.914 0.183 0.000 2.891 212 V HA 0.578 5.933 4.120 2.059 0.000 0.304 212 V C -2.988 173.052 176.094 -0.090 0.000 1.171 212 V CA -2.380 59.995 62.300 0.124 0.000 0.943 212 V CB 2.304 34.271 31.823 0.240 0.000 1.037 212 V HN -0.176 nan 8.190 nan 0.000 0.427 213 P HA 0.254 nan 4.420 nan 0.000 0.265 213 P C -2.102 174.803 177.300 -0.658 0.000 1.222 213 P CA -0.746 62.174 63.100 -0.301 0.000 0.767 213 P CB 0.521 32.090 31.700 -0.218 0.000 0.801 214 P HA -0.265 nan 4.420 nan 0.000 0.219 214 P C 1.145 177.785 177.300 -1.100 0.000 1.158 214 P CA 1.693 63.940 63.100 -1.421 0.000 0.895 214 P CB -0.168 31.160 31.700 -0.621 0.000 0.792 215 E N -0.697 119.141 120.200 -0.602 0.000 2.494 215 E HA -0.031 5.555 4.350 2.059 0.000 0.193 215 E C 1.180 177.584 176.600 -0.326 0.000 1.074 215 E CA 0.480 56.621 56.400 -0.431 0.000 0.867 215 E CB -0.729 28.798 29.700 -0.288 0.000 0.924 215 E HN 0.357 nan 8.360 nan 0.000 0.502 216 L N 0.220 121.219 121.223 -0.374 0.000 2.769 216 L HA 0.197 5.772 4.340 2.059 0.000 0.240 216 L C 1.029 177.882 176.870 -0.029 0.000 1.163 216 L CA -0.317 54.424 54.840 -0.165 0.000 0.962 216 L CB -0.147 41.790 42.059 -0.204 0.000 1.258 216 L HN -0.092 nan 8.230 nan 0.000 0.513 217 Y N 0.719 120.898 120.300 -0.200 0.000 2.145 217 Y HA -0.144 5.641 4.550 2.058 0.000 0.286 217 Y C 2.268 178.170 175.900 0.002 0.000 1.145 217 Y CA 0.923 58.901 58.100 -0.204 0.000 1.148 217 Y CB -0.397 37.618 38.460 -0.741 0.000 0.981 217 Y HN 0.070 nan 8.280 nan 0.000 0.507 218 R N -0.203 120.384 120.500 0.145 0.000 2.425 218 R HA -0.102 5.474 4.340 2.059 0.000 0.206 218 R C 0.296 176.676 176.300 0.133 0.000 1.117 218 R CA 0.662 56.866 56.100 0.173 0.000 1.098 218 R CB -0.229 30.147 30.300 0.127 0.000 0.843 218 R HN 0.282 nan 8.270 nan 0.000 0.480 219 L N -3.947 117.371 121.223 0.159 0.000 2.718 219 L HA 0.159 5.734 4.340 2.059 0.000 0.247 219 L C 0.596 177.397 176.870 -0.114 0.000 1.028 219 L CA 0.652 55.501 54.840 0.017 0.000 1.031 219 L CB 0.113 42.187 42.059 0.025 0.000 1.910 219 L HN -0.054 nan 8.230 nan 0.000 0.526 220 F N -0.262 119.715 119.950 0.044 0.000 2.704 220 F HA 0.349 6.112 4.527 2.059 0.000 0.304 220 F C 0.863 176.703 175.800 0.067 0.000 1.094 220 F CA -0.027 57.993 58.000 0.034 0.000 1.275 220 F CB 0.426 39.441 39.000 0.026 0.000 1.073 220 F HN -0.180 nan 8.300 nan 0.000 0.586 221 R N -0.486 120.187 120.500 0.287 0.000 2.522 221 R HA 0.183 5.759 4.340 2.059 0.000 0.314 221 R C 0.811 177.263 176.300 0.253 0.000 1.178 221 R CA 0.166 56.416 56.100 0.250 0.000 1.294 221 R CB -0.504 29.978 30.300 0.302 0.000 1.345 221 R HN -0.002 nan 8.270 nan 0.000 0.710 222 T N 0.774 115.448 114.554 0.201 0.000 2.684 222 T HA -0.163 5.422 4.350 2.059 0.000 0.267 222 T C 1.752 176.585 174.700 0.221 0.000 1.036 222 T CA 1.537 63.766 62.100 0.216 0.000 1.148 222 T CB 0.318 69.270 68.868 0.139 0.000 0.863 222 T HN 0.301 nan 8.240 nan 0.000 0.436 223 K N 0.372 120.870 120.400 0.163 0.000 1.973 223 K HA -0.134 5.421 4.320 2.059 0.000 0.210 223 K C 2.661 179.357 176.600 0.161 0.000 1.045 223 K CA 1.839 58.209 56.287 0.139 0.000 0.937 223 K CB -0.514 32.047 32.500 0.101 0.000 0.721 223 K HN 0.461 nan 8.250 nan 0.000 0.438 224 T N -1.051 113.605 114.554 0.171 0.000 2.721 224 T HA -0.244 5.341 4.350 2.059 0.000 0.268 224 T C 1.762 176.602 174.700 0.234 0.000 1.038 224 T CA 1.357 63.566 62.100 0.181 0.000 1.145 224 T CB -0.837 68.129 68.868 0.162 0.000 0.858 224 T HN 0.569 nan 8.240 nan 0.000 0.459 225 W N 1.907 123.220 121.300 0.022 0.000 2.388 225 W HA -0.009 5.885 4.660 2.057 0.000 0.294 225 W C 2.666 179.275 176.519 0.151 0.000 1.212 225 W CA 0.812 58.169 57.345 0.020 0.000 1.271 225 W CB -0.175 29.290 29.460 0.008 0.000 1.126 225 W HN 0.237 nan 8.180 nan 0.000 0.535 226 R N 0.568 121.118 120.500 0.083 0.000 2.081 226 R HA -0.187 5.388 4.340 2.059 0.000 0.235 226 R C 1.676 177.944 176.300 -0.054 0.000 1.131 226 R CA 2.431 58.520 56.100 -0.019 0.000 0.960 226 R CB -0.428 29.911 30.300 0.065 0.000 0.856 226 R HN 0.033 nan 8.270 nan 0.000 0.436 227 D N -1.511 118.897 120.400 0.014 0.000 2.117 227 D HA -0.140 5.735 4.640 2.059 0.000 0.198 227 D C 1.689 177.979 176.300 -0.018 0.000 0.982 227 D CA 1.326 55.332 54.000 0.010 0.000 0.828 227 D CB -0.143 40.693 40.800 0.059 0.000 0.967 227 D HN 0.353 nan 8.370 nan 0.000 0.464 228 H N -0.247 118.773 119.070 -0.084 0.000 2.389 228 H HA -0.023 5.768 4.556 2.058 0.000 0.299 228 H C 1.846 177.085 175.328 -0.148 0.000 1.081 228 H CA 1.097 57.104 56.048 -0.069 0.000 1.345 228 H CB -0.011 29.792 29.762 0.068 0.000 1.393 228 H HN -0.070 nan 8.280 nan 0.000 0.520 229 V N 0.541 120.304 119.914 -0.250 0.000 2.343 229 V HA -0.268 5.087 4.120 2.059 0.000 0.247 229 V C 2.628 178.668 176.094 -0.090 0.000 1.051 229 V CA 1.540 63.730 62.300 -0.183 0.000 1.036 229 V CB -1.100 30.531 31.823 -0.319 0.000 0.654 229 V HN 0.684 nan 8.190 nan 0.000 0.451 230 A N 0.229 122.975 122.820 -0.123 0.000 1.851 230 A HA -0.174 5.381 4.320 2.059 0.000 0.216 230 A C 2.485 179.965 177.584 -0.173 0.000 1.195 230 A CA 2.301 54.271 52.037 -0.112 0.000 0.622 230 A CB -1.120 17.827 19.000 -0.087 0.000 0.831 230 A HN 0.593 nan 8.150 nan 0.000 0.444 231 A N -1.645 121.020 122.820 -0.258 0.000 1.958 231 A HA -0.241 5.315 4.320 2.059 0.000 0.221 231 A C 1.999 179.255 177.584 -0.547 0.000 1.178 231 A CA 1.673 53.461 52.037 -0.415 0.000 0.642 231 A CB -0.972 17.721 19.000 -0.513 0.000 0.816 231 A HN 0.777 nan 8.150 nan 0.000 0.453 232 W N -0.122 120.849 121.300 -0.547 0.000 2.407 232 W HA -0.075 5.819 4.660 2.058 0.000 0.305 232 W C 2.013 178.361 176.519 -0.286 0.000 1.196 232 W CA 0.830 57.813 57.345 -0.603 0.000 1.311 232 W CB -0.236 28.419 29.460 -1.343 0.000 1.135 232 W HN 0.296 nan 8.180 nan 0.000 0.514 233 D N -0.360 120.035 120.400 -0.007 0.000 2.154 233 D HA -0.216 5.659 4.640 2.059 0.000 0.190 233 D C 1.994 178.332 176.300 0.063 0.000 1.003 233 D CA 2.458 56.496 54.000 0.063 0.000 0.849 233 D CB -0.920 39.870 40.800 -0.017 0.000 0.942 233 D HN 0.038 nan 8.370 nan 0.000 0.446 234 T N 0.962 115.487 114.554 -0.048 0.000 2.622 234 T HA -0.136 5.449 4.350 2.059 0.000 0.266 234 T C 2.235 176.914 174.700 -0.036 0.000 1.047 234 T CA 0.867 62.931 62.100 -0.059 0.000 1.159 234 T CB -0.438 68.347 68.868 -0.139 0.000 0.863 234 T HN 0.167 nan 8.240 nan 0.000 0.422 235 I N -0.049 120.378 120.570 -0.239 0.000 2.181 235 I HA -0.264 5.141 4.170 2.059 0.000 0.247 235 I C 2.021 178.146 176.117 0.013 0.000 1.081 235 I CA 1.694 62.801 61.300 -0.321 0.000 1.340 235 I CB -0.341 37.294 38.000 -0.607 0.000 1.036 235 I HN 0.199 nan 8.210 nan 0.000 0.417 236 F N 0.690 120.691 119.950 0.084 0.000 2.118 236 F HA -0.123 5.638 4.527 2.056 0.000 0.293 236 F C 2.463 178.341 175.800 0.130 0.000 1.102 236 F CA 1.259 59.343 58.000 0.140 0.000 1.247 236 F CB -0.581 38.490 39.000 0.118 0.000 1.017 236 F HN 0.057 nan 8.300 nan 0.000 0.475 237 N N 0.576 119.431 118.700 0.258 0.000 2.061 237 N HA -0.190 5.785 4.740 2.059 0.000 0.193 237 N C 1.738 177.310 175.510 0.103 0.000 1.030 237 N CA 1.421 54.557 53.050 0.143 0.000 0.856 237 N CB -0.423 38.114 38.487 0.083 0.000 1.023 237 N HN 0.155 nan 8.380 nan 0.000 0.424 238 K N 1.239 121.727 120.400 0.146 0.000 2.001 238 K HA 0.095 5.650 4.320 2.059 0.000 0.208 238 K C 2.094 178.773 176.600 0.131 0.000 1.048 238 K CA 1.205 57.556 56.287 0.106 0.000 0.932 238 K CB -0.839 31.836 32.500 0.292 0.000 0.715 238 K HN 0.168 nan 8.250 nan 0.000 0.437 239 A N 0.835 123.834 122.820 0.298 0.000 1.986 239 A HA -0.235 5.320 4.320 2.059 0.000 0.220 239 A C 2.129 179.859 177.584 0.244 0.000 1.171 239 A CA 2.095 54.312 52.037 0.300 0.000 0.640 239 A CB -0.530 18.626 19.000 0.260 0.000 0.811 239 A HN 0.342 nan 8.150 nan 0.000 0.451 240 E N 0.312 120.618 120.200 0.176 0.000 2.106 240 E HA -0.144 5.441 4.350 2.059 0.000 0.192 240 E C 1.969 178.610 176.600 0.068 0.000 0.984 240 E CA 1.376 57.861 56.400 0.140 0.000 0.806 240 E CB -0.106 29.678 29.700 0.140 0.000 0.750 240 E HN 0.477 nan 8.360 nan 0.000 0.458 241 K N -0.281 120.108 120.400 -0.018 0.000 1.985 241 K HA -0.155 5.400 4.320 2.059 0.000 0.210 241 K C 2.226 178.720 176.600 -0.177 0.000 1.047 241 K CA 1.437 57.636 56.287 -0.147 0.000 0.932 241 K CB -0.874 31.456 32.500 -0.283 0.000 0.716 241 K HN 0.256 nan 8.250 nan 0.000 0.439 242 Y N 1.826 122.060 120.300 -0.109 0.000 2.181 242 Y HA -0.224 5.561 4.550 2.058 0.000 0.284 242 Y C 2.608 178.375 175.900 -0.221 0.000 1.179 242 Y CA 1.533 59.480 58.100 -0.256 0.000 1.179 242 Y CB -1.122 37.231 38.460 -0.178 0.000 0.973 242 Y HN 0.145 nan 8.280 nan 0.000 0.519 243 T N -0.593 114.078 114.554 0.195 0.000 2.985 243 T HA -0.088 5.497 4.350 2.059 0.000 0.266 243 T C 1.607 176.446 174.700 0.232 0.000 1.076 243 T CA 1.139 63.432 62.100 0.323 0.000 1.135 243 T CB 0.020 69.095 68.868 0.346 0.000 0.890 243 T HN 0.257 nan 8.240 nan 0.000 0.480 244 E N 1.787 122.042 120.200 0.092 0.000 2.011 244 E HA 0.036 5.621 4.350 2.059 0.000 0.191 244 E C 2.239 178.862 176.600 0.037 0.000 0.980 244 E CA 0.655 57.086 56.400 0.051 0.000 0.814 244 E CB -0.770 28.917 29.700 -0.021 0.000 0.775 244 E HN 0.647 nan 8.360 nan 0.000 0.454 245 I N -1.730 118.766 120.570 -0.122 0.000 3.164 245 I HA -0.094 5.311 4.170 2.059 0.000 0.278 245 I C 1.101 176.998 176.117 -0.366 0.000 1.320 245 I CA 1.034 62.180 61.300 -0.256 0.000 1.422 245 I CB -0.187 37.573 38.000 -0.400 0.000 1.066 245 I HN -0.165 nan 8.210 nan 0.000 0.503 246 F N -0.944 118.993 119.950 -0.023 0.000 2.711 246 F HA 0.173 5.935 4.527 2.059 0.000 0.296 246 F C 1.936 177.822 175.800 0.143 0.000 1.096 246 F CA -0.322 57.675 58.000 -0.004 0.000 1.280 246 F CB -0.696 38.183 39.000 -0.201 0.000 1.060 246 F HN -0.023 nan 8.300 nan 0.000 0.608 247 Y N 1.385 121.831 120.300 0.244 0.000 2.097 247 Y HA -0.289 5.496 4.550 2.057 0.000 0.282 247 Y C 2.307 178.292 175.900 0.142 0.000 1.152 247 Y CA 1.976 60.193 58.100 0.194 0.000 1.136 247 Y CB -0.227 38.318 38.460 0.142 0.000 0.975 247 Y HN -0.094 nan 8.280 nan 0.000 0.498 248 Q N 0.050 120.030 119.800 0.300 0.000 2.500 248 Q HA -0.117 5.458 4.340 2.059 0.000 0.213 248 Q C 1.401 177.458 176.000 0.095 0.000 0.974 248 Q CA 1.313 57.217 55.803 0.168 0.000 0.918 248 Q CB -0.432 28.377 28.738 0.118 0.000 0.980 248 Q HN 0.521 nan 8.270 nan 0.000 0.505 249 D N -1.127 119.348 120.400 0.124 0.000 2.317 249 D HA -0.006 5.870 4.640 2.059 0.000 0.211 249 D C 0.767 177.115 176.300 0.079 0.000 0.966 249 D CA 0.607 54.684 54.000 0.127 0.000 0.876 249 D CB 0.368 41.346 40.800 0.297 0.000 0.927 249 D HN 0.241 nan 8.370 nan 0.000 0.519 250 L N -1.175 120.077 121.223 0.049 0.000 3.360 250 L HA 0.257 5.833 4.340 2.059 0.000 0.303 250 L C 1.685 178.529 176.870 -0.043 0.000 1.218 250 L CA -0.229 54.587 54.840 -0.040 0.000 1.059 250 L CB 0.471 42.493 42.059 -0.061 0.000 1.468 250 L HN -0.159 nan 8.230 nan 0.000 0.614 251 R N 1.147 121.628 120.500 -0.031 0.000 2.092 251 R HA -0.057 5.518 4.340 2.059 0.000 0.231 251 R C 1.979 178.277 176.300 -0.004 0.000 1.119 251 R CA 1.809 57.883 56.100 -0.043 0.000 0.970 251 R CB 0.026 30.337 30.300 0.018 0.000 0.864 251 R HN 0.247 nan 8.270 nan 0.000 0.440 252 R N -0.082 120.422 120.500 0.007 0.000 2.064 252 R HA 0.126 5.701 4.340 2.059 0.000 0.210 252 R C 0.228 176.525 176.300 -0.005 0.000 1.221 252 R CA 0.806 56.912 56.100 0.011 0.000 1.055 252 R CB -0.250 30.064 30.300 0.024 0.000 0.946 252 R HN 0.089 nan 8.270 nan 0.000 0.459 253 K N 1.831 122.229 120.400 -0.003 0.000 2.127 253 K HA 0.120 5.675 4.320 2.059 0.000 0.261 253 K C -0.630 175.902 176.600 -0.114 0.000 1.129 253 K CA 0.282 56.571 56.287 0.004 0.000 0.993 253 K CB 0.984 33.522 32.500 0.064 0.000 1.410 253 K HN -0.092 nan 8.250 nan 0.000 0.380 254 T N 2.590 117.039 114.554 -0.175 0.000 3.446 254 T HA 0.120 5.705 4.350 2.059 0.000 0.289 254 T C -0.926 173.592 174.700 -0.303 0.000 1.203 254 T CA -0.525 61.340 62.100 -0.391 0.000 1.645 254 T CB 0.216 68.933 68.868 -0.252 0.000 0.841 254 T HN 0.542 nan 8.240 nan 0.000 0.617 255 E N 3.022 123.059 120.200 -0.272 0.000 3.167 255 E HA 0.351 5.936 4.350 2.059 0.000 0.210 255 E C -0.463 176.216 176.600 0.132 0.000 1.004 255 E CA -0.132 56.256 56.400 -0.021 0.000 1.256 255 E CB 0.251 30.006 29.700 0.092 0.000 1.193 255 E HN 0.769 nan 8.360 nan 0.000 0.448 256 F N -2.667 117.260 119.950 -0.038 0.000 3.559 256 F HA 0.603 6.365 4.527 2.059 0.000 0.329 256 F C -0.652 175.121 175.800 -0.044 0.000 1.128 256 F CA -1.298 56.678 58.000 -0.040 0.000 0.859 256 F CB 0.911 39.879 39.000 -0.053 0.000 1.590 256 F HN -0.386 nan 8.300 nan 0.000 0.504 257 R N 0.116 120.800 120.500 0.306 0.000 2.912 257 R HA 0.615 6.190 4.340 2.059 0.000 0.262 257 R C -1.047 175.388 176.300 0.225 0.000 1.057 257 R CA -0.869 55.330 56.100 0.164 0.000 0.981 257 R CB 1.321 31.695 30.300 0.123 0.000 1.201 257 R HN 0.948 nan 8.270 nan 0.000 0.484 258 N N -1.450 117.336 118.700 0.142 0.000 2.455 258 N HA -0.095 5.881 4.740 2.059 0.000 0.329 258 N C -1.325 174.303 175.510 0.196 0.000 1.589 258 N CA 0.286 53.412 53.050 0.126 0.000 3.098 258 N CB -0.211 38.327 38.487 0.085 0.000 1.626 258 N HN 0.541 nan 8.380 nan 0.000 1.125 259 Y N -0.432 119.883 120.300 0.023 0.000 2.662 259 Y HA 0.910 6.696 4.550 2.061 0.000 0.335 259 Y C -2.860 173.072 175.900 0.053 0.000 1.066 259 Y CA -3.197 54.925 58.100 0.037 0.000 1.116 259 Y CB -0.800 37.676 38.460 0.028 0.000 1.308 259 Y HN -0.217 nan 8.280 nan 0.000 0.502 260 P HA 0.350 nan 4.420 nan 0.000 0.274 260 P C -0.169 176.676 177.300 -0.758 0.000 1.291 260 P CA 0.242 63.172 63.100 -0.282 0.000 0.815 260 P CB 0.363 32.036 31.700 -0.045 0.000 0.897 261 G N 3.034 110.928 108.800 -1.511 0.000 3.444 261 G HA2 0.174 5.369 3.960 2.059 0.000 0.315 261 G HA3 0.174 5.369 3.960 2.059 0.000 0.315 261 G C 1.062 175.715 174.900 -0.410 0.000 1.079 261 G CA -0.423 43.921 45.100 -1.260 0.000 1.500 261 G HN 0.420 nan 8.290 nan 0.000 0.518 262 I N 1.087 121.486 120.570 -0.286 0.000 2.267 262 I HA -0.390 5.015 4.170 2.059 0.000 0.239 262 I C 2.722 178.752 176.117 -0.145 0.000 0.984 262 I CA 1.603 62.794 61.300 -0.183 0.000 1.272 262 I CB -0.187 37.695 38.000 -0.196 0.000 0.976 262 I HN 0.507 nan 8.210 nan 0.000 0.407 263 L N -0.225 120.901 121.223 -0.162 0.000 2.089 263 L HA -0.295 5.280 4.340 2.059 0.000 0.213 263 L C 2.390 179.315 176.870 0.092 0.000 1.079 263 L CA 2.019 56.873 54.840 0.023 0.000 0.758 263 L CB -0.795 41.398 42.059 0.224 0.000 0.891 263 L HN 0.283 nan 8.230 nan 0.000 0.433 264 Y N -0.837 119.431 120.300 -0.053 0.000 2.153 264 Y HA -0.215 5.571 4.550 2.060 0.000 0.289 264 Y C 2.652 178.506 175.900 -0.077 0.000 1.127 264 Y CA 1.730 59.802 58.100 -0.046 0.000 1.131 264 Y CB -0.783 37.679 38.460 0.004 0.000 0.995 264 Y HN 0.277 nan 8.280 nan 0.000 0.505 265 C N -0.157 119.084 119.300 -0.099 0.000 2.413 265 C HA -0.175 5.520 4.460 2.059 0.000 0.276 265 C C 2.488 177.380 174.990 -0.163 0.000 1.248 265 C CA 0.900 59.826 59.018 -0.152 0.000 1.742 265 C CB -1.500 26.174 27.740 -0.111 0.000 2.017 265 C HN 0.479 nan 8.230 nan 0.000 0.481 266 L N 0.090 121.242 121.223 -0.118 0.000 2.610 266 L HA 0.080 5.655 4.340 2.059 0.000 0.232 266 L C 1.861 178.682 176.870 -0.083 0.000 1.149 266 L CA 1.349 56.138 54.840 -0.085 0.000 0.872 266 L CB -0.640 41.390 42.059 -0.049 0.000 0.992 266 L HN 0.356 nan 8.230 nan 0.000 0.447 267 L N -2.001 119.135 121.223 -0.145 0.000 2.609 267 L HA 0.073 5.648 4.340 2.059 0.000 0.230 267 L C 2.129 178.854 176.870 -0.242 0.000 1.087 267 L CA 0.118 54.869 54.840 -0.150 0.000 0.874 267 L CB 0.087 42.056 42.059 -0.150 0.000 1.114 267 L HN 0.052 nan 8.230 nan 0.000 0.488 268 K N 0.284 120.478 120.400 -0.343 0.000 2.214 268 K HA -0.007 5.548 4.320 2.059 0.000 0.201 268 K C 2.272 178.765 176.600 -0.178 0.000 1.049 268 K CA 1.152 57.243 56.287 -0.326 0.000 0.978 268 K CB -0.004 32.209 32.500 -0.479 0.000 0.842 268 K HN 0.127 nan 8.250 nan 0.000 0.474 269 S N 1.043 116.654 115.700 -0.150 0.000 2.387 269 S HA -0.261 5.444 4.470 2.059 0.000 0.230 269 S C 0.871 175.422 174.600 -0.081 0.000 1.035 269 S CA 1.684 59.824 58.200 -0.100 0.000 1.014 269 S CB -0.412 62.733 63.200 -0.092 0.000 0.836 269 S HN 0.496 nan 8.310 nan 0.000 0.466 270 E N -0.010 120.141 120.200 -0.081 0.000 2.637 270 E HA -0.220 5.365 4.350 2.059 0.000 0.265 270 E C 0.027 176.601 176.600 -0.043 0.000 1.073 270 E CA 0.930 57.296 56.400 -0.056 0.000 0.778 270 E CB -1.449 28.221 29.700 -0.051 0.000 1.362 270 E HN 0.784 nan 8.360 nan 0.000 0.413 271 K N -0.129 120.242 120.400 -0.048 0.000 2.373 271 K HA 0.317 5.872 4.320 2.059 0.000 0.202 271 K C 0.412 176.988 176.600 -0.040 0.000 1.025 271 K CA 0.072 56.332 56.287 -0.045 0.000 1.115 271 K CB 0.630 33.097 32.500 -0.055 0.000 0.858 271 K HN 0.191 nan 8.250 nan 0.000 0.525 272 M N 1.469 121.050 119.600 -0.032 0.000 2.386 272 M HA 0.325 6.040 4.480 2.059 0.000 0.293 272 M C -1.358 174.941 176.300 -0.002 0.000 1.120 272 M CA -0.864 54.423 55.300 -0.021 0.000 0.909 272 M CB 1.548 34.133 32.600 -0.024 0.000 1.661 272 M HN -0.095 nan 8.290 nan 0.000 0.452 273 L N 2.912 124.138 121.223 0.007 0.000 2.474 273 L HA 0.123 5.698 4.340 2.059 0.000 0.259 273 L C 1.161 178.051 176.870 0.034 0.000 1.232 273 L CA 0.021 54.873 54.840 0.019 0.000 0.821 273 L CB 0.330 42.401 42.059 0.020 0.000 1.108 273 L HN 0.828 nan 8.230 nan 0.000 0.495 274 L N 0.477 121.724 121.223 0.040 0.000 1.976 274 L HA -0.192 5.383 4.340 2.059 0.000 0.209 274 L C 2.434 179.337 176.870 0.055 0.000 1.071 274 L CA 1.655 56.526 54.840 0.051 0.000 0.746 274 L CB -0.382 41.698 42.059 0.035 0.000 0.890 274 L HN 0.815 nan 8.230 nan 0.000 0.432 275 E N -0.441 119.788 120.200 0.048 0.000 2.245 275 E HA -0.365 5.220 4.350 2.059 0.000 0.217 275 E C 1.471 178.122 176.600 0.085 0.000 1.069 275 E CA 2.375 58.812 56.400 0.062 0.000 0.877 275 E CB -0.126 29.606 29.700 0.053 0.000 0.757 275 E HN 0.676 nan 8.360 nan 0.000 0.464 276 D N -1.203 119.241 120.400 0.074 0.000 2.305 276 D HA -0.030 5.845 4.640 2.059 0.000 0.206 276 D C 1.819 178.170 176.300 0.085 0.000 0.974 276 D CA 0.372 54.421 54.000 0.082 0.000 0.871 276 D CB 0.291 41.123 40.800 0.053 0.000 0.947 276 D HN 0.053 nan 8.370 nan 0.000 0.516 277 V N 1.025 120.986 119.914 0.079 0.000 2.323 277 V HA -0.226 5.129 4.120 2.059 0.000 0.244 277 V C 2.118 178.277 176.094 0.108 0.000 1.041 277 V CA 1.470 63.817 62.300 0.079 0.000 1.025 277 V CB -0.339 31.535 31.823 0.085 0.000 0.656 277 V HN 0.140 nan 8.190 nan 0.000 0.451 278 K N 0.667 121.144 120.400 0.128 0.000 2.032 278 K HA -0.279 5.276 4.320 2.059 0.000 0.218 278 K C 2.307 179.005 176.600 0.163 0.000 1.054 278 K CA 1.981 58.361 56.287 0.155 0.000 0.941 278 K CB -0.648 31.943 32.500 0.151 0.000 0.720 278 K HN 0.469 nan 8.250 nan 0.000 0.449 279 A N 1.997 124.927 122.820 0.184 0.000 1.883 279 A HA -0.214 5.341 4.320 2.059 0.000 0.217 279 A C 1.921 179.609 177.584 0.173 0.000 1.186 279 A CA 1.835 54.008 52.037 0.227 0.000 0.624 279 A CB -0.598 18.560 19.000 0.263 0.000 0.822 279 A HN 0.302 nan 8.150 nan 0.000 0.444 280 N N -0.070 118.708 118.700 0.129 0.000 2.142 280 N HA -0.085 5.890 4.740 2.059 0.000 0.186 280 N C 1.799 177.347 175.510 0.063 0.000 1.023 280 N CA 1.579 54.685 53.050 0.093 0.000 0.852 280 N CB -0.350 38.168 38.487 0.052 0.000 0.998 280 N HN 0.557 nan 8.380 nan 0.000 0.424 281 I N 1.365 121.968 120.570 0.054 0.000 2.142 281 I HA -0.249 5.157 4.170 2.059 0.000 0.240 281 I C 2.113 178.259 176.117 0.047 0.000 1.078 281 I CA 1.128 62.438 61.300 0.017 0.000 1.343 281 I CB -0.827 37.190 38.000 0.028 0.000 1.046 281 I HN 0.089 nan 8.210 nan 0.000 0.405 282 T N 0.122 114.720 114.554 0.073 0.000 2.680 282 T HA -0.287 5.299 4.350 2.059 0.000 0.268 282 T C 1.748 176.476 174.700 0.046 0.000 1.033 282 T CA 1.855 63.972 62.100 0.028 0.000 1.152 282 T CB -0.373 68.396 68.868 -0.165 0.000 0.859 282 T HN 0.442 nan 8.240 nan 0.000 0.452 283 E N 0.059 120.304 120.200 0.075 0.000 2.107 283 E HA 0.025 5.610 4.350 2.059 0.000 0.191 283 E C 2.354 179.002 176.600 0.080 0.000 0.982 283 E CA 0.732 57.196 56.400 0.107 0.000 0.809 283 E CB -0.103 29.699 29.700 0.170 0.000 0.756 283 E HN 0.498 nan 8.360 nan 0.000 0.459 284 M N 0.119 119.752 119.600 0.054 0.000 2.064 284 M HA -0.168 5.547 4.480 2.059 0.000 0.260 284 M C 2.184 178.505 176.300 0.036 0.000 1.073 284 M CA 0.996 56.310 55.300 0.024 0.000 1.124 284 M CB -0.378 32.203 32.600 -0.033 0.000 1.326 284 M HN 0.135 nan 8.290 nan 0.000 0.410 285 L N 0.905 122.151 121.223 0.038 0.000 1.991 285 L HA -0.250 5.325 4.340 2.059 0.000 0.221 285 L C 2.837 179.864 176.870 0.262 0.000 1.079 285 L CA 2.505 57.415 54.840 0.117 0.000 0.778 285 L CB -1.499 40.642 42.059 0.137 0.000 0.893 285 L HN 0.342 nan 8.230 nan 0.000 0.437 286 A N -0.882 122.096 122.820 0.263 0.000 1.948 286 A HA -0.177 5.378 4.320 2.059 0.000 0.220 286 A C 2.383 180.008 177.584 0.068 0.000 1.177 286 A CA 1.914 54.031 52.037 0.132 0.000 0.636 286 A CB -1.355 17.589 19.000 -0.093 0.000 0.815 286 A HN 0.512 nan 8.150 nan 0.000 0.449 287 G N -0.981 107.870 108.800 0.084 0.000 2.422 287 G HA2 0.104 5.299 3.960 2.059 0.000 0.218 287 G HA3 0.104 5.299 3.960 2.059 0.000 0.218 287 G C 1.438 176.399 174.900 0.102 0.000 1.140 287 G CA 1.137 46.298 45.100 0.102 0.000 0.775 287 G HN 0.701 nan 8.290 nan 0.000 0.545 288 G N 0.696 109.549 108.800 0.089 0.000 2.408 288 G HA2 -0.110 5.085 3.960 2.059 0.000 0.217 288 G HA3 -0.110 5.085 3.960 2.059 0.000 0.217 288 G C 1.773 176.718 174.900 0.074 0.000 1.150 288 G CA 1.175 46.313 45.100 0.063 0.000 0.776 288 G HN 0.305 nan 8.290 nan 0.000 0.542 289 V N 1.576 121.554 119.914 0.107 0.000 2.282 289 V HA -0.226 5.129 4.120 2.059 0.000 0.249 289 V C 2.210 178.221 176.094 -0.138 0.000 1.057 289 V CA 2.137 64.445 62.300 0.013 0.000 1.032 289 V CB -0.320 31.466 31.823 -0.062 0.000 0.645 289 V HN 0.423 nan 8.190 nan 0.000 0.447 290 N N -0.961 117.670 118.700 -0.114 0.000 2.360 290 N HA -0.019 5.956 4.740 2.059 0.000 0.211 290 N C 1.924 177.425 175.510 -0.015 0.000 1.147 290 N CA 1.147 54.080 53.050 -0.195 0.000 0.866 290 N CB 0.192 38.539 38.487 -0.234 0.000 1.206 290 N HN 0.640 nan 8.380 nan 0.000 0.478 291 T N 0.327 114.899 114.554 0.030 0.000 2.652 291 T HA -0.185 5.400 4.350 2.059 0.000 0.267 291 T C 2.202 176.948 174.700 0.077 0.000 1.039 291 T CA 2.372 64.504 62.100 0.052 0.000 1.153 291 T CB -1.146 67.770 68.868 0.081 0.000 0.863 291 T HN 0.262 nan 8.240 nan 0.000 0.428 292 T N 1.098 115.701 114.554 0.081 0.000 2.777 292 T HA -0.087 5.498 4.350 2.059 0.000 0.266 292 T C 2.328 177.079 174.700 0.085 0.000 1.040 292 T CA 1.328 63.480 62.100 0.086 0.000 1.141 292 T CB -0.967 67.939 68.868 0.064 0.000 0.868 292 T HN 0.497 nan 8.240 nan 0.000 0.444 293 S N 2.748 118.518 115.700 0.118 0.000 2.365 293 S HA -0.129 5.577 4.470 2.059 0.000 0.221 293 S C 2.176 176.861 174.600 0.141 0.000 1.037 293 S CA 1.582 59.893 58.200 0.185 0.000 1.060 293 S CB -0.609 62.832 63.200 0.401 0.000 0.974 293 S HN 0.268 nan 8.310 nan 0.000 0.427 294 M N 1.838 121.532 119.600 0.157 0.000 2.082 294 M HA -0.095 5.620 4.480 2.059 0.000 0.258 294 M C 2.383 178.835 176.300 0.253 0.000 1.069 294 M CA 1.703 57.097 55.300 0.156 0.000 1.102 294 M CB -2.362 30.357 32.600 0.199 0.000 1.336 294 M HN 0.407 nan 8.290 nan 0.000 0.404 295 T N 1.203 115.897 114.554 0.233 0.000 2.668 295 T HA -0.094 5.491 4.350 2.059 0.000 0.262 295 T C 1.966 176.809 174.700 0.239 0.000 1.045 295 T CA 0.901 63.160 62.100 0.265 0.000 1.152 295 T CB -0.417 68.545 68.868 0.156 0.000 0.864 295 T HN 0.093 nan 8.240 nan 0.000 0.419 296 L N 1.430 122.711 121.223 0.096 0.000 2.021 296 L HA -0.163 5.412 4.340 2.059 0.000 0.215 296 L C 2.704 179.611 176.870 0.062 0.000 1.074 296 L CA 1.654 56.482 54.840 -0.021 0.000 0.760 296 L CB -1.407 40.428 42.059 -0.374 0.000 0.889 296 L HN 0.371 nan 8.230 nan 0.000 0.433 297 Q N -1.756 118.058 119.800 0.022 0.000 2.112 297 Q HA -0.268 5.307 4.340 2.059 0.000 0.206 297 Q C 2.327 178.323 176.000 -0.007 0.000 0.987 297 Q CA 2.387 58.169 55.803 -0.034 0.000 0.858 297 Q CB -0.307 28.313 28.738 -0.196 0.000 0.905 297 Q HN 0.558 nan 8.270 nan 0.000 0.420 298 W N -0.621 120.673 121.300 -0.009 0.000 2.381 298 W HA -0.173 5.722 4.660 2.059 0.000 0.301 298 W C 2.510 179.060 176.519 0.052 0.000 1.205 298 W CA 0.979 58.276 57.345 -0.080 0.000 1.285 298 W CB -0.385 28.975 29.460 -0.167 0.000 1.133 298 W HN 0.402 nan 8.180 nan 0.000 0.521 299 H N 0.779 120.029 119.070 0.301 0.000 2.289 299 H HA -0.200 5.591 4.556 2.058 0.000 0.296 299 H C 2.018 177.424 175.328 0.129 0.000 1.091 299 H CA 2.357 58.538 56.048 0.223 0.000 1.274 299 H CB -0.521 29.380 29.762 0.231 0.000 1.364 299 H HN 0.132 nan 8.280 nan 0.000 0.490 300 L N -0.470 120.970 121.223 0.362 0.000 1.989 300 L HA -0.249 5.326 4.340 2.059 0.000 0.211 300 L C 2.717 179.633 176.870 0.078 0.000 1.071 300 L CA 1.823 56.803 54.840 0.233 0.000 0.749 300 L CB -1.009 41.177 42.059 0.212 0.000 0.890 300 L HN 0.258 nan 8.230 nan 0.000 0.431 301 Y N 0.989 121.259 120.300 -0.049 0.000 2.069 301 Y HA -0.353 5.432 4.550 2.059 0.000 0.278 301 Y C 2.685 178.507 175.900 -0.131 0.000 1.175 301 Y CA 2.021 60.059 58.100 -0.104 0.000 1.134 301 Y CB -0.070 38.309 38.460 -0.135 0.000 0.965 301 Y HN 0.154 nan 8.280 nan 0.000 0.498 302 E N 0.053 120.254 120.200 0.001 0.000 2.106 302 E HA -0.218 5.367 4.350 2.059 0.000 0.192 302 E C 2.325 178.603 176.600 -0.538 0.000 0.984 302 E CA 1.512 57.652 56.400 -0.433 0.000 0.806 302 E CB -0.418 28.616 29.700 -1.111 0.000 0.750 302 E HN 0.650 nan 8.360 nan 0.000 0.458 303 M N 0.305 119.685 119.600 -0.368 0.000 2.106 303 M HA -0.198 5.517 4.480 2.059 0.000 0.259 303 M C 2.369 178.610 176.300 -0.097 0.000 1.068 303 M CA 1.710 56.943 55.300 -0.111 0.000 1.100 303 M CB -0.375 32.276 32.600 0.085 0.000 1.351 303 M HN 0.060 nan 8.290 nan 0.000 0.404 304 A N -0.198 122.525 122.820 -0.162 0.000 1.969 304 A HA -0.117 5.438 4.320 2.059 0.000 0.218 304 A C 2.120 179.575 177.584 -0.215 0.000 1.169 304 A CA 1.162 53.084 52.037 -0.192 0.000 0.635 304 A CB -0.513 18.338 19.000 -0.247 0.000 0.810 304 A HN 0.357 nan 8.150 nan 0.000 0.445 305 R N 0.552 120.876 120.500 -0.294 0.000 2.152 305 R HA -0.055 5.521 4.340 2.059 0.000 0.232 305 R C -0.056 176.196 176.300 -0.080 0.000 1.117 305 R CA 1.282 57.258 56.100 -0.208 0.000 0.981 305 R CB -0.356 29.823 30.300 -0.201 0.000 0.870 305 R HN 0.611 nan 8.270 nan 0.000 0.451 306 S N -0.111 115.556 115.700 -0.055 0.000 2.652 306 S HA 0.319 6.024 4.470 2.059 0.000 0.252 306 S C 0.950 175.578 174.600 0.047 0.000 1.219 306 S CA -0.706 57.512 58.200 0.030 0.000 1.151 306 S CB 1.050 64.318 63.200 0.113 0.000 1.080 306 S HN -0.006 nan 8.310 nan 0.000 0.481 307 L N 1.790 123.033 121.223 0.032 0.000 2.017 307 L HA -0.109 5.466 4.340 2.059 0.000 0.208 307 L C 2.787 179.699 176.870 0.071 0.000 1.073 307 L CA 1.460 56.326 54.840 0.044 0.000 0.745 307 L CB -0.690 41.385 42.059 0.027 0.000 0.894 307 L HN 0.663 nan 8.230 nan 0.000 0.432 308 N N 0.221 118.962 118.700 0.070 0.000 2.247 308 N HA -0.172 5.803 4.740 2.059 0.000 0.189 308 N C 1.496 177.066 175.510 0.099 0.000 1.009 308 N CA 1.328 54.424 53.050 0.077 0.000 0.872 308 N CB -0.059 38.469 38.487 0.069 0.000 0.980 308 N HN 0.103 nan 8.380 nan 0.000 0.436 309 V N 0.035 120.027 119.914 0.130 0.000 2.500 309 V HA -0.062 5.293 4.120 2.059 0.000 0.243 309 V C 2.374 178.578 176.094 0.184 0.000 1.039 309 V CA 1.171 63.574 62.300 0.172 0.000 1.053 309 V CB -0.644 31.338 31.823 0.265 0.000 0.695 309 V HN 0.373 nan 8.190 nan 0.000 0.463 310 Q N -0.085 119.817 119.800 0.170 0.000 2.156 310 Q HA -0.303 5.272 4.340 2.059 0.000 0.211 310 Q C 2.217 178.299 176.000 0.138 0.000 0.995 310 Q CA 2.131 58.030 55.803 0.160 0.000 0.877 310 Q CB 0.011 28.819 28.738 0.117 0.000 0.920 310 Q HN 0.554 nan 8.270 nan 0.000 0.416 311 E N -0.082 120.185 120.200 0.112 0.000 2.107 311 E HA -0.122 5.463 4.350 2.059 0.000 0.191 311 E C 1.959 178.614 176.600 0.091 0.000 0.982 311 E CA 1.006 57.463 56.400 0.095 0.000 0.809 311 E CB -0.253 29.494 29.700 0.079 0.000 0.756 311 E HN 0.498 nan 8.360 nan 0.000 0.459 312 M N 0.101 119.759 119.600 0.096 0.000 2.202 312 M HA -0.135 5.580 4.480 2.059 0.000 0.262 312 M C 2.208 178.566 176.300 0.098 0.000 1.063 312 M CA 1.179 56.532 55.300 0.089 0.000 1.097 312 M CB -0.236 32.418 32.600 0.090 0.000 1.382 312 M HN 0.054 nan 8.290 nan 0.000 0.413 313 L N -1.062 120.237 121.223 0.126 0.000 2.179 313 L HA -0.124 5.451 4.340 2.059 0.000 0.208 313 L C 2.650 179.583 176.870 0.104 0.000 1.096 313 L CA 0.867 55.788 54.840 0.135 0.000 0.779 313 L CB -0.524 41.655 42.059 0.200 0.000 0.922 313 L HN 0.292 nan 8.230 nan 0.000 0.443 314 R N 0.095 120.654 120.500 0.099 0.000 2.073 314 R HA -0.130 5.445 4.340 2.059 0.000 0.229 314 R C 2.202 178.533 176.300 0.051 0.000 1.120 314 R CA 1.011 57.155 56.100 0.074 0.000 0.967 314 R CB 0.097 30.443 30.300 0.077 0.000 0.862 314 R HN 0.258 nan 8.270 nan 0.000 0.436 315 E N 0.365 120.597 120.200 0.055 0.000 2.118 315 E HA -0.248 5.337 4.350 2.059 0.000 0.195 315 E C 1.635 178.256 176.600 0.035 0.000 0.992 315 E CA 1.320 57.744 56.400 0.041 0.000 0.804 315 E CB -0.021 29.705 29.700 0.044 0.000 0.741 315 E HN 0.500 nan 8.360 nan 0.000 0.458 316 E N 0.291 120.518 120.200 0.045 0.000 2.299 316 E HA -0.055 5.530 4.350 2.059 0.000 0.193 316 E C 1.929 178.546 176.600 0.029 0.000 0.998 316 E CA 0.195 56.618 56.400 0.040 0.000 0.851 316 E CB 0.427 30.158 29.700 0.052 0.000 0.795 316 E HN -0.031 nan 8.360 nan 0.000 0.492 317 V N 0.933 120.864 119.914 0.029 0.000 2.446 317 V HA -0.119 5.236 4.120 2.059 0.000 0.244 317 V C 2.057 178.149 176.094 -0.003 0.000 1.039 317 V CA 0.969 63.275 62.300 0.010 0.000 1.045 317 V CB -0.133 31.696 31.823 0.010 0.000 0.681 317 V HN 0.349 nan 8.190 nan 0.000 0.459 318 L N 0.838 122.060 121.223 -0.000 0.000 2.675 318 L HA 0.002 5.577 4.340 2.059 0.000 0.238 318 L C 1.885 178.751 176.870 -0.007 0.000 1.155 318 L CA 0.655 55.488 54.840 -0.011 0.000 0.881 318 L CB -0.453 41.597 42.059 -0.016 0.000 1.008 318 L HN 0.399 nan 8.230 nan 0.000 0.443 319 N N -0.242 118.459 118.700 0.001 0.000 2.332 319 N HA 0.084 6.059 4.740 2.059 0.000 0.190 319 N C 1.346 176.858 175.510 0.003 0.000 1.117 319 N CA 0.657 53.710 53.050 0.004 0.000 0.883 319 N CB 0.769 39.264 38.487 0.012 0.000 1.089 319 N HN 0.200 nan 8.380 nan 0.000 0.480 320 A N 0.286 123.106 122.820 0.001 0.000 2.345 320 A HA 0.204 5.759 4.320 2.059 0.000 0.225 320 A C 1.857 179.437 177.584 -0.007 0.000 1.243 320 A CA 0.031 52.068 52.037 -0.001 0.000 0.875 320 A CB 0.197 19.198 19.000 0.001 0.000 0.929 320 A HN 0.056 nan 8.150 nan 0.000 0.502 321 R N 1.338 121.832 120.500 -0.009 0.000 2.038 321 R HA 0.078 5.653 4.340 2.059 0.000 0.214 321 R C 1.672 177.966 176.300 -0.009 0.000 1.249 321 R CA 1.317 57.409 56.100 -0.012 0.000 1.025 321 R CB -0.488 29.801 30.300 -0.018 0.000 0.911 321 R HN 0.395 nan 8.270 nan 0.000 0.456 322 R N 0.745 121.238 120.500 -0.011 0.000 2.535 322 R HA 0.105 5.680 4.340 2.059 0.000 0.233 322 R C 0.241 176.538 176.300 -0.006 0.000 1.202 322 R CA 0.568 56.662 56.100 -0.010 0.000 1.205 322 R CB -0.223 30.068 30.300 -0.014 0.000 1.153 322 R HN 0.278 nan 8.270 nan 0.000 0.512 323 Q N -0.555 119.243 119.800 -0.003 0.000 2.163 323 Q HA 0.258 5.833 4.340 2.059 0.000 0.267 323 Q C -0.554 175.446 176.000 0.000 0.000 0.833 323 Q CA 0.218 56.020 55.803 -0.001 0.000 1.033 323 Q CB 1.204 29.943 28.738 0.002 0.000 1.318 323 Q HN 0.429 nan 8.270 nan 0.000 0.396 324 A N -0.101 122.719 122.820 -0.001 0.000 2.233 324 A HA 0.090 5.645 4.320 2.059 0.000 0.163 324 A C 0.866 178.450 177.584 0.000 0.000 1.845 324 A CA 0.796 52.834 52.037 -0.000 0.000 1.390 324 A CB 0.065 19.064 19.000 -0.001 0.000 1.601 324 A HN 0.467 nan 8.150 nan 0.000 0.398 325 E N -0.702 119.497 120.200 -0.001 0.000 5.009 325 E HA -0.273 5.312 4.350 2.059 0.000 0.199 325 E C 1.001 177.602 176.600 0.002 0.000 1.000 325 E CA 1.469 57.869 56.400 -0.000 0.000 1.578 325 E CB -2.082 27.617 29.700 -0.001 0.000 1.777 325 E HN 1.091 nan 8.360 nan 0.000 0.356 326 G N 0.680 109.482 108.800 0.003 0.000 2.716 326 G HA2 0.144 5.339 3.960 2.059 0.000 0.251 326 G HA3 0.144 5.339 3.960 2.059 0.000 0.251 326 G C 0.050 174.955 174.900 0.008 0.000 1.224 326 G CA 0.202 45.306 45.100 0.005 0.000 0.891 326 G HN 0.335 nan 8.290 nan 0.000 0.561 327 D N -1.285 119.122 120.400 0.013 0.000 2.181 327 D HA -0.012 5.863 4.640 2.059 0.000 0.262 327 D C 1.885 178.195 176.300 0.017 0.000 1.222 327 D CA -0.504 53.508 54.000 0.020 0.000 0.993 327 D CB 0.171 40.987 40.800 0.026 0.000 1.160 327 D HN 0.039 nan 8.370 nan 0.000 0.528 328 I N -0.085 120.500 120.570 0.025 0.000 2.286 328 I HA -0.182 5.223 4.170 2.059 0.000 0.245 328 I C 2.231 178.354 176.117 0.010 0.000 1.104 328 I CA 1.226 62.534 61.300 0.014 0.000 1.397 328 I CB -0.686 37.333 38.000 0.032 0.000 1.072 328 I HN 0.254 nan 8.210 nan 0.000 0.417 329 S N 0.870 116.581 115.700 0.019 0.000 2.380 329 S HA -0.334 5.371 4.470 2.059 0.000 0.229 329 S C 1.963 176.566 174.600 0.006 0.000 1.050 329 S CA 2.054 60.263 58.200 0.014 0.000 1.100 329 S CB -0.579 62.630 63.200 0.015 0.000 0.984 329 S HN 0.464 nan 8.310 nan 0.000 0.434 330 K N 1.165 121.568 120.400 0.005 0.000 2.152 330 K HA -0.076 5.479 4.320 2.059 0.000 0.206 330 K C 2.192 178.792 176.600 0.001 0.000 1.048 330 K CA 1.603 57.892 56.287 0.003 0.000 0.933 330 K CB -0.370 32.132 32.500 0.003 0.000 0.721 330 K HN 0.615 nan 8.250 nan 0.000 0.447 331 M N -0.592 119.007 119.600 -0.002 0.000 2.541 331 M HA 0.098 5.813 4.480 2.059 0.000 0.252 331 M C 1.191 177.488 176.300 -0.004 0.000 1.125 331 M CA 1.021 56.318 55.300 -0.005 0.000 1.091 331 M CB -0.124 32.469 32.600 -0.012 0.000 1.420 331 M HN -0.070 nan 8.290 nan 0.000 0.486 332 L N 1.077 122.299 121.223 -0.002 0.000 2.633 332 L HA -0.059 5.516 4.340 2.059 0.000 0.235 332 L C 1.583 178.456 176.870 0.006 0.000 1.163 332 L CA 0.493 55.334 54.840 0.002 0.000 0.859 332 L CB -0.541 41.521 42.059 0.005 0.000 0.973 332 L HN 0.537 nan 8.230 nan 0.000 0.451 333 Q N -1.621 118.183 119.800 0.006 0.000 2.164 333 Q HA 0.230 5.805 4.340 2.059 0.000 0.226 333 Q C 1.332 177.339 176.000 0.012 0.000 0.813 333 Q CA 0.182 55.990 55.803 0.008 0.000 0.978 333 Q CB 0.978 29.718 28.738 0.003 0.000 1.149 333 Q HN 0.490 nan 8.270 nan 0.000 0.489 334 M N 1.270 120.876 119.600 0.012 0.000 2.475 334 M HA 0.131 5.846 4.480 2.059 0.000 0.283 334 M C 0.528 176.841 176.300 0.021 0.000 1.165 334 M CA 0.176 55.485 55.300 0.015 0.000 0.976 334 M CB 0.841 33.447 32.600 0.010 0.000 1.428 334 M HN -0.107 nan 8.290 nan 0.000 0.495 335 V N -2.733 117.196 119.914 0.025 0.000 2.759 335 V HA 0.288 5.643 4.120 2.059 0.000 0.342 335 V C -1.751 174.373 176.094 0.051 0.000 1.228 335 V CA -1.101 61.220 62.300 0.036 0.000 1.302 335 V CB -0.864 30.976 31.823 0.029 0.000 1.496 335 V HN 0.017 nan 8.190 nan 0.000 0.628 336 P HA -0.194 nan 4.420 nan 0.000 0.214 336 P C 1.863 179.216 177.300 0.088 0.000 1.163 336 P CA 1.420 64.560 63.100 0.067 0.000 0.889 336 P CB 0.339 32.077 31.700 0.064 0.000 0.790 337 L N -1.281 119.995 121.223 0.089 0.000 2.089 337 L HA -0.176 5.399 4.340 2.059 0.000 0.213 337 L C 2.682 179.626 176.870 0.124 0.000 1.079 337 L CA 1.542 56.445 54.840 0.104 0.000 0.758 337 L CB -1.768 40.348 42.059 0.095 0.000 0.891 337 L HN 0.054 nan 8.230 nan 0.000 0.433 338 L N 0.051 121.342 121.223 0.114 0.000 1.988 338 L HA -0.185 5.390 4.340 2.059 0.000 0.207 338 L C 2.587 179.538 176.870 0.134 0.000 1.071 338 L CA 1.767 56.688 54.840 0.134 0.000 0.744 338 L CB -0.522 41.593 42.059 0.093 0.000 0.893 338 L HN 0.110 nan 8.230 nan 0.000 0.433 339 K N -0.290 120.167 120.400 0.095 0.000 2.074 339 K HA -0.188 5.367 4.320 2.059 0.000 0.209 339 K C 2.058 178.703 176.600 0.075 0.000 1.048 339 K CA 1.518 57.853 56.287 0.079 0.000 0.926 339 K CB -0.565 31.970 32.500 0.058 0.000 0.713 339 K HN 0.500 nan 8.250 nan 0.000 0.444 340 A N 1.128 124.006 122.820 0.097 0.000 1.940 340 A HA -0.209 5.346 4.320 2.059 0.000 0.219 340 A C 2.280 179.903 177.584 0.066 0.000 1.176 340 A CA 2.001 54.103 52.037 0.108 0.000 0.631 340 A CB -0.717 18.411 19.000 0.213 0.000 0.814 340 A HN 0.267 nan 8.150 nan 0.000 0.446 341 S N -0.484 115.290 115.700 0.123 0.000 2.374 341 S HA -0.139 5.566 4.470 2.059 0.000 0.227 341 S C 1.746 176.488 174.600 0.236 0.000 1.037 341 S CA 1.531 59.832 58.200 0.169 0.000 1.024 341 S CB -0.485 62.973 63.200 0.430 0.000 0.861 341 S HN 0.524 nan 8.310 nan 0.000 0.456 342 I N 0.345 121.054 120.570 0.231 0.000 2.830 342 I HA -0.105 5.300 4.170 2.059 0.000 0.263 342 I C 2.254 178.393 176.117 0.037 0.000 1.230 342 I CA 0.940 62.373 61.300 0.221 0.000 1.480 342 I CB -0.142 37.963 38.000 0.174 0.000 1.095 342 I HN 0.257 nan 8.210 nan 0.000 0.455 343 K N 0.407 120.703 120.400 -0.174 0.000 2.168 343 K HA -0.108 5.447 4.320 2.059 0.000 0.201 343 K C 1.900 178.167 176.600 -0.555 0.000 1.049 343 K CA 0.448 56.428 56.287 -0.512 0.000 0.974 343 K CB 0.052 31.990 32.500 -0.937 0.000 0.792 343 K HN -0.080 nan 8.250 nan 0.000 0.463 344 E N 0.693 120.686 120.200 -0.344 0.000 2.331 344 E HA -0.128 5.457 4.350 2.059 0.000 0.199 344 E C 1.206 177.823 176.600 0.029 0.000 1.008 344 E CA 1.409 57.794 56.400 -0.024 0.000 0.843 344 E CB -0.030 29.570 29.700 -0.166 0.000 0.761 344 E HN 0.138 nan 8.360 nan 0.000 0.507 345 T N 0.032 114.638 114.554 0.086 0.000 2.837 345 T HA 0.012 5.597 4.350 2.059 0.000 0.248 345 T C 1.381 176.065 174.700 -0.027 0.000 1.033 345 T CA 0.414 62.629 62.100 0.192 0.000 1.150 345 T CB -0.097 68.972 68.868 0.334 0.000 0.865 345 T HN 0.071 nan 8.240 nan 0.000 0.425 346 L N 1.847 123.015 121.223 -0.090 0.000 2.137 346 L HA -0.080 5.495 4.340 2.059 0.000 0.213 346 L C 2.454 179.179 176.870 -0.240 0.000 1.085 346 L CA 1.544 56.269 54.840 -0.193 0.000 0.760 346 L CB -1.165 40.738 42.059 -0.260 0.000 0.893 346 L HN 0.246 nan 8.230 nan 0.000 0.434 347 R N -0.229 120.126 120.500 -0.241 0.000 2.080 347 R HA -0.161 5.414 4.340 2.059 0.000 0.236 347 R C 2.276 178.341 176.300 -0.392 0.000 1.137 347 R CA 1.397 57.349 56.100 -0.246 0.000 0.943 347 R CB -0.161 30.065 30.300 -0.124 0.000 0.846 347 R HN 0.314 nan 8.270 nan 0.000 0.431 348 L N -0.492 120.442 121.223 -0.481 0.000 2.395 348 L HA -0.037 5.538 4.340 2.059 0.000 0.218 348 L C 0.280 176.328 176.870 -1.369 0.000 1.130 348 L CA 0.553 54.868 54.840 -0.877 0.000 0.826 348 L CB 0.058 41.596 42.059 -0.869 0.000 0.941 348 L HN 0.313 nan 8.230 nan 0.000 0.451 349 H N -1.049 117.741 119.070 -0.467 0.000 2.643 349 H HA 0.256 6.047 4.556 2.058 0.000 0.229 349 H C -2.576 172.522 175.328 -0.383 0.000 1.410 349 H CA -1.665 53.995 56.048 -0.648 0.000 1.458 349 H CB 0.190 29.075 29.762 -1.461 0.000 1.792 349 H HN -0.030 nan 8.280 nan 0.000 0.563 350 P HA 0.105 nan 4.420 nan 0.000 0.280 350 P C 1.416 178.678 177.300 -0.063 0.000 1.244 350 P CA -0.449 62.576 63.100 -0.125 0.000 0.784 350 P CB 1.701 33.359 31.700 -0.069 0.000 0.913 351 I N 0.970 121.495 120.570 -0.075 0.000 2.194 351 I HA -0.175 5.230 4.170 2.059 0.000 0.246 351 I C 1.302 177.418 176.117 -0.002 0.000 1.093 351 I CA 1.841 63.115 61.300 -0.043 0.000 1.355 351 I CB -1.211 36.750 38.000 -0.065 0.000 1.046 351 I HN 0.386 nan 8.210 nan 0.000 0.413 352 S N 0.239 115.954 115.700 0.025 0.000 2.457 352 S HA 0.315 6.020 4.470 2.059 0.000 0.289 352 S C 0.799 175.487 174.600 0.145 0.000 1.163 352 S CA -0.605 57.656 58.200 0.102 0.000 1.078 352 S CB 2.436 65.697 63.200 0.102 0.000 0.987 352 S HN 0.111 nan 8.310 nan 0.000 0.482 353 V N 2.816 122.858 119.914 0.212 0.000 2.307 353 V HA 0.092 5.447 4.120 2.059 0.000 0.245 353 V C 0.872 177.141 176.094 0.291 0.000 1.045 353 V CA 2.321 64.778 62.300 0.262 0.000 1.024 353 V CB -0.629 31.348 31.823 0.256 0.000 0.651 353 V HN 1.149 nan 8.190 nan 0.000 0.449 354 T N -1.734 112.963 114.554 0.239 0.000 2.865 354 T HA 0.645 6.230 4.350 2.059 0.000 0.294 354 T C -0.973 173.799 174.700 0.119 0.000 1.119 354 T CA -0.789 61.409 62.100 0.163 0.000 1.007 354 T CB 1.786 70.701 68.868 0.078 0.000 1.225 354 T HN 0.230 nan 8.240 nan 0.000 0.515 355 L N 1.331 122.605 121.223 0.085 0.000 2.317 355 L HA 0.672 6.247 4.340 2.059 0.000 0.281 355 L C -0.565 176.293 176.870 -0.020 0.000 1.024 355 L CA -1.012 53.883 54.840 0.092 0.000 0.810 355 L CB 1.676 43.848 42.059 0.188 0.000 1.240 355 L HN 0.634 nan 8.230 nan 0.000 0.427 356 Q N 3.027 122.820 119.800 -0.012 0.000 2.345 356 Q HA 0.707 6.283 4.340 2.059 0.000 0.268 356 Q C -1.077 174.875 176.000 -0.080 0.000 1.054 356 Q CA -0.800 54.932 55.803 -0.118 0.000 0.835 356 Q CB 2.419 31.113 28.738 -0.073 0.000 1.339 356 Q HN 0.267 nan 8.270 nan 0.000 0.447 357 R N 1.450 121.834 120.500 -0.193 0.000 2.533 357 R HA 0.301 5.876 4.340 2.059 0.000 0.288 357 R C -1.362 174.825 176.300 -0.187 0.000 1.039 357 R CA -0.692 55.344 56.100 -0.106 0.000 0.909 357 R CB 1.161 31.379 30.300 -0.136 0.000 1.195 357 R HN 0.699 nan 8.270 nan 0.000 0.438 358 Y N 3.404 123.658 120.300 -0.076 0.000 2.624 358 Y HA 0.184 5.968 4.550 2.056 0.000 0.354 358 Y C -1.535 174.324 175.900 -0.069 0.000 1.051 358 Y CA -1.777 56.274 58.100 -0.082 0.000 1.377 358 Y CB 0.127 38.553 38.460 -0.057 0.000 1.168 358 Y HN 0.233 nan 8.280 nan 0.000 0.525 359 P HA -0.079 nan 4.420 nan 0.000 0.261 359 P C 0.816 178.142 177.300 0.043 0.000 1.183 359 P CA 0.312 63.416 63.100 0.006 0.000 0.761 359 P CB 0.763 32.396 31.700 -0.110 0.000 0.785 360 E N 1.946 122.196 120.200 0.085 0.000 2.118 360 E HA -0.124 5.461 4.350 2.059 0.000 0.195 360 E C 0.226 176.862 176.600 0.059 0.000 0.992 360 E CA 1.000 57.441 56.400 0.067 0.000 0.804 360 E CB 0.232 29.975 29.700 0.071 0.000 0.741 360 E HN 0.579 nan 8.360 nan 0.000 0.458 361 S N -0.072 115.686 115.700 0.098 0.000 2.541 361 S HA 0.267 5.972 4.470 2.059 0.000 0.271 361 S C -1.025 173.527 174.600 -0.079 0.000 1.133 361 S CA -1.199 57.039 58.200 0.063 0.000 0.876 361 S CB 1.811 65.106 63.200 0.157 0.000 1.105 361 S HN -0.080 nan 8.310 nan 0.000 0.470 362 D N 1.172 121.491 120.400 -0.135 0.000 2.474 362 D HA 0.460 6.335 4.640 2.059 0.000 0.232 362 D C 0.317 176.312 176.300 -0.508 0.000 1.177 362 D CA 1.051 54.899 54.000 -0.254 0.000 0.876 362 D CB 0.115 40.820 40.800 -0.158 0.000 1.208 362 D HN 0.777 nan 8.370 nan 0.000 0.464 363 L N -2.743 118.131 121.223 -0.581 0.000 2.963 363 L HA 0.749 6.324 4.340 2.059 0.000 0.273 363 L C -1.678 174.950 176.870 -0.403 0.000 1.078 363 L CA -1.090 53.272 54.840 -0.798 0.000 0.970 363 L CB 1.435 42.443 42.059 -1.752 0.000 1.564 363 L HN 0.133 nan 8.230 nan 0.000 0.381 364 V N 2.230 121.984 119.914 -0.267 0.000 2.569 364 V HA 0.536 5.891 4.120 2.059 0.000 0.301 364 V C -0.896 175.207 176.094 0.016 0.000 1.044 364 V CA -0.333 61.929 62.300 -0.064 0.000 0.874 364 V CB 1.824 33.654 31.823 0.013 0.000 1.002 364 V HN 0.440 nan 8.190 nan 0.000 0.424 365 L N 4.423 125.672 121.223 0.043 0.000 2.333 365 L HA 0.614 6.189 4.340 2.059 0.000 0.280 365 L C 0.414 177.377 176.870 0.155 0.000 1.004 365 L CA 0.279 55.170 54.840 0.085 0.000 0.820 365 L CB 1.069 43.135 42.059 0.012 0.000 1.247 365 L HN 0.940 nan 8.230 nan 0.000 0.416 366 Q N 1.961 121.837 119.800 0.127 0.000 1.692 366 Q HA -0.296 5.280 4.340 2.059 0.000 0.332 366 Q C -0.203 175.845 176.000 0.080 0.000 0.767 366 Q CA 2.210 58.082 55.803 0.115 0.000 0.934 366 Q CB -0.720 28.147 28.738 0.215 0.000 2.756 366 Q HN 0.687 nan 8.270 nan 0.000 0.655 367 D N -0.191 120.248 120.400 0.065 0.000 2.656 367 D HA 0.421 6.296 4.640 2.059 0.000 0.303 367 D C -1.666 174.423 176.300 -0.352 0.000 1.199 367 D CA 0.110 54.029 54.000 -0.135 0.000 0.797 367 D CB -0.035 40.632 40.800 -0.222 0.000 1.170 367 D HN 0.311 nan 8.370 nan 0.000 0.509 368 Y N -0.307 119.993 120.300 0.001 0.000 2.552 368 Y HA 0.329 6.113 4.550 2.058 0.000 0.337 368 Y C -0.537 175.356 175.900 -0.011 0.000 1.094 368 Y CA -1.338 56.765 58.100 0.005 0.000 1.028 368 Y CB 1.438 39.910 38.460 0.019 0.000 1.321 368 Y HN 0.021 nan 8.280 nan 0.000 0.456 369 L N 4.512 125.827 121.223 0.152 0.000 2.367 369 L HA 0.494 6.069 4.340 2.059 0.000 0.275 369 L C -1.044 175.844 176.870 0.030 0.000 1.129 369 L CA -0.055 54.813 54.840 0.047 0.000 0.839 369 L CB 0.121 42.196 42.059 0.027 0.000 1.133 369 L HN 0.396 nan 8.230 nan 0.000 0.453 370 I N 6.987 127.496 120.570 -0.101 0.000 2.428 370 I HA 0.330 5.735 4.170 2.059 0.000 0.279 370 I C -2.274 173.680 176.117 -0.272 0.000 1.040 370 I CA -1.901 59.282 61.300 -0.194 0.000 1.171 370 I CB 0.834 38.704 38.000 -0.218 0.000 1.312 370 I HN 0.477 nan 8.210 nan 0.000 0.470 371 P HA 0.046 nan 4.420 nan 0.000 0.265 371 P C 0.191 177.339 177.300 -0.253 0.000 1.193 371 P CA -0.028 62.903 63.100 -0.280 0.000 0.765 371 P CB 0.756 32.252 31.700 -0.339 0.000 0.823 372 A N 4.031 126.742 122.820 -0.181 0.000 2.583 372 A HA -0.002 5.553 4.320 2.059 0.000 0.231 372 A C 1.002 178.525 177.584 -0.101 0.000 1.065 372 A CA 0.508 52.470 52.037 -0.126 0.000 0.760 372 A CB -0.436 18.521 19.000 -0.072 0.000 1.001 372 A HN 0.627 nan 8.150 nan 0.000 0.509 373 K N -0.751 119.628 120.400 -0.034 0.000 3.379 373 K HA -0.115 5.440 4.320 2.059 0.000 0.300 373 K C -0.080 176.554 176.600 0.058 0.000 1.302 373 K CA 1.442 57.772 56.287 0.071 0.000 0.877 373 K CB -2.618 29.896 32.500 0.023 0.000 1.343 373 K HN 0.852 nan 8.250 nan 0.000 0.488 374 T N 1.366 115.847 114.554 -0.121 0.000 2.795 374 T HA 0.412 5.997 4.350 2.059 0.000 0.282 374 T C -0.038 174.411 174.700 -0.419 0.000 0.980 374 T CA -0.740 61.214 62.100 -0.244 0.000 1.012 374 T CB 1.401 70.058 68.868 -0.352 0.000 0.936 374 T HN 0.149 nan 8.240 nan 0.000 0.457 375 L N 5.961 126.848 121.223 -0.561 0.000 2.562 375 L HA 0.312 5.887 4.340 2.059 0.000 0.271 375 L C -0.717 175.813 176.870 -0.565 0.000 1.167 375 L CA 0.494 54.848 54.840 -0.811 0.000 0.917 375 L CB -0.264 41.366 42.059 -0.715 0.000 1.187 375 L HN 0.392 nan 8.230 nan 0.000 0.482 376 V N 5.441 125.027 119.914 -0.547 0.000 2.680 376 V HA 0.572 5.927 4.120 2.059 0.000 0.309 376 V C -0.249 175.555 176.094 -0.485 0.000 1.052 376 V CA -0.808 61.220 62.300 -0.452 0.000 0.908 376 V CB 1.789 33.399 31.823 -0.354 0.000 1.001 376 V HN 0.756 nan 8.190 nan 0.000 0.431 377 Q N 1.933 121.401 119.800 -0.554 0.000 2.397 377 Q HA 0.690 6.265 4.340 2.059 0.000 0.275 377 Q C -1.669 174.099 176.000 -0.386 0.000 1.090 377 Q CA -0.836 54.627 55.803 -0.567 0.000 0.809 377 Q CB 3.209 31.356 28.738 -0.984 0.000 1.362 377 Q HN 0.547 nan 8.270 nan 0.000 0.431 378 V N 1.173 120.952 119.914 -0.224 0.000 2.350 378 V HA 0.370 5.725 4.120 2.059 0.000 0.285 378 V C 0.047 176.156 176.094 0.025 0.000 1.014 378 V CA -0.652 61.599 62.300 -0.081 0.000 0.831 378 V CB 1.217 33.017 31.823 -0.038 0.000 1.000 378 V HN 0.884 nan 8.190 nan 0.000 0.433 379 A N 5.669 128.544 122.820 0.092 0.000 3.048 379 A HA 0.254 5.809 4.320 2.059 0.000 0.264 379 A C 1.531 179.260 177.584 0.241 0.000 1.796 379 A CA -0.195 51.977 52.037 0.225 0.000 1.445 379 A CB -0.753 18.503 19.000 0.427 0.000 1.074 379 A HN 0.679 nan 8.150 nan 0.000 0.621 380 I N 0.031 120.725 120.570 0.207 0.000 2.113 380 I HA -0.347 5.058 4.170 2.059 0.000 0.242 380 I C 2.140 178.369 176.117 0.187 0.000 1.057 380 I CA 2.128 63.538 61.300 0.184 0.000 1.314 380 I CB -1.637 36.454 38.000 0.150 0.000 1.022 380 I HN 0.796 nan 8.210 nan 0.000 0.408 381 Y N 1.680 122.071 120.300 0.151 0.000 2.081 381 Y HA -0.295 5.490 4.550 2.058 0.000 0.280 381 Y C 2.622 178.614 175.900 0.153 0.000 1.163 381 Y CA 2.615 60.778 58.100 0.104 0.000 1.135 381 Y CB -0.297 38.218 38.460 0.092 0.000 0.970 381 Y HN 0.136 nan 8.280 nan 0.000 0.498 382 A N 0.431 123.532 122.820 0.468 0.000 1.902 382 A HA -0.244 5.312 4.320 2.059 0.000 0.217 382 A C 2.439 180.178 177.584 0.258 0.000 1.181 382 A CA 1.834 54.119 52.037 0.412 0.000 0.623 382 A CB -0.941 18.385 19.000 0.543 0.000 0.818 382 A HN 0.688 nan 8.150 nan 0.000 0.443 383 M N -0.356 119.388 119.600 0.240 0.000 2.149 383 M HA -0.162 5.553 4.480 2.059 0.000 0.261 383 M C 2.083 178.625 176.300 0.404 0.000 1.064 383 M CA 1.703 57.188 55.300 0.310 0.000 1.102 383 M CB -0.431 32.295 32.600 0.209 0.000 1.369 383 M HN 0.491 nan 8.290 nan 0.000 0.408 384 G N 0.297 109.172 108.800 0.125 0.000 2.442 384 G HA2 -0.216 4.979 3.960 2.059 0.000 0.219 384 G HA3 -0.216 4.979 3.960 2.059 0.000 0.219 384 G C 1.379 176.193 174.900 -0.143 0.000 1.141 384 G CA 0.584 45.594 45.100 -0.150 0.000 0.763 384 G HN 0.380 nan 8.290 nan 0.000 0.554 385 R N 0.393 120.856 120.500 -0.062 0.000 2.254 385 R HA 0.114 5.689 4.340 2.059 0.000 0.195 385 R C 0.118 176.472 176.300 0.091 0.000 0.957 385 R CA -0.284 55.809 56.100 -0.012 0.000 1.024 385 R CB -0.547 29.757 30.300 0.006 0.000 0.952 385 R HN 0.251 nan 8.270 nan 0.000 0.484 386 D N 3.228 123.722 120.400 0.157 0.000 2.383 386 D HA 0.038 5.913 4.640 2.059 0.000 0.252 386 D C -1.466 174.847 176.300 0.021 0.000 1.166 386 D CA -1.965 52.071 54.000 0.060 0.000 0.879 386 D CB 1.638 42.436 40.800 -0.004 0.000 1.164 386 D HN -0.028 nan 8.370 nan 0.000 0.462 387 P HA 0.044 nan 4.420 nan 0.000 0.245 387 P C 0.407 177.599 177.300 -0.180 0.000 1.212 387 P CA 0.196 63.265 63.100 -0.051 0.000 0.774 387 P CB 0.316 31.991 31.700 -0.041 0.000 0.999 388 A N -1.493 121.072 122.820 -0.426 0.000 2.238 388 A HA 0.198 5.753 4.320 2.059 0.000 0.210 388 A C 1.145 178.221 177.584 -0.847 0.000 1.179 388 A CA 0.389 52.027 52.037 -0.664 0.000 0.827 388 A CB -0.705 17.734 19.000 -0.934 0.000 0.856 388 A HN 0.063 nan 8.150 nan 0.000 0.488 389 F N -2.525 117.298 119.950 -0.211 0.000 2.752 389 F HA 0.456 6.220 4.527 2.061 0.000 0.310 389 F C -0.293 175.016 175.800 -0.818 0.000 1.097 389 F CA -0.892 56.776 58.000 -0.553 0.000 1.238 389 F CB 0.340 38.937 39.000 -0.672 0.000 1.061 389 F HN 0.034 nan 8.300 nan 0.000 0.591 390 F N -0.282 119.676 119.950 0.013 0.000 2.689 390 F HA 0.343 6.104 4.527 2.057 0.000 0.332 390 F C 0.161 175.929 175.800 -0.054 0.000 1.209 390 F CA -1.197 56.780 58.000 -0.038 0.000 1.028 390 F CB 1.332 40.318 39.000 -0.023 0.000 1.291 390 F HN -0.412 nan 8.300 nan 0.000 0.500 391 S N 1.570 117.323 115.700 0.088 0.000 2.544 391 S HA 0.135 5.841 4.470 2.059 0.000 0.290 391 S C 0.418 175.051 174.600 0.056 0.000 1.276 391 S CA -0.119 58.106 58.200 0.042 0.000 1.075 391 S CB 0.332 63.539 63.200 0.013 0.000 0.849 391 S HN 0.756 nan 8.310 nan 0.000 0.494 392 S N 3.019 118.746 115.700 0.044 0.000 3.572 392 S HA -0.078 5.627 4.470 2.059 0.000 0.394 392 S C -1.509 173.123 174.600 0.054 0.000 0.923 392 S CA 0.358 58.586 58.200 0.045 0.000 1.291 392 S CB -1.183 62.042 63.200 0.041 0.000 0.914 392 S HN 0.758 nan 8.310 nan 0.000 0.545 393 P HA -0.064 nan 4.420 nan 0.000 0.236 393 P C 0.578 177.884 177.300 0.010 0.000 1.172 393 P CA 0.638 63.759 63.100 0.036 0.000 0.759 393 P CB 0.112 31.848 31.700 0.061 0.000 0.843 394 D N -0.332 120.095 120.400 0.045 0.000 2.262 394 D HA -0.018 5.857 4.640 2.059 0.000 0.212 394 D C 0.912 177.271 176.300 0.098 0.000 0.964 394 D CA 0.367 54.408 54.000 0.069 0.000 0.875 394 D CB 0.092 40.941 40.800 0.081 0.000 0.996 394 D HN 0.240 nan 8.370 nan 0.000 0.497 395 K N 0.635 121.090 120.400 0.092 0.000 2.436 395 K HA 0.014 5.569 4.320 2.059 0.000 0.275 395 K C -0.614 176.087 176.600 0.168 0.000 0.999 395 K CA -0.160 56.200 56.287 0.123 0.000 0.980 395 K CB 0.477 33.029 32.500 0.087 0.000 0.919 395 K HN -0.128 nan 8.250 nan 0.000 0.484 396 F N 4.123 124.100 119.950 0.045 0.000 2.390 396 F HA 0.127 5.889 4.527 2.058 0.000 0.361 396 F C -0.340 175.494 175.800 0.056 0.000 1.124 396 F CA -0.318 57.711 58.000 0.048 0.000 1.149 396 F CB 0.690 39.726 39.000 0.060 0.000 1.160 396 F HN 0.462 nan 8.300 nan 0.000 0.501 397 D N 8.646 128.916 120.400 -0.216 0.000 2.375 397 D HA 0.307 6.182 4.640 2.059 0.000 0.259 397 D C -2.152 174.043 176.300 -0.174 0.000 1.235 397 D CA -2.232 51.678 54.000 -0.151 0.000 0.924 397 D CB 1.860 42.626 40.800 -0.056 0.000 1.143 397 D HN 0.188 nan 8.370 nan 0.000 0.529 398 P HA -0.110 nan 4.420 nan 0.000 0.217 398 P C 1.312 178.663 177.300 0.084 0.000 1.150 398 P CA 1.362 64.436 63.100 -0.044 0.000 0.832 398 P CB 0.115 31.786 31.700 -0.048 0.000 0.787 399 T N -3.196 111.374 114.554 0.027 0.000 3.052 399 T HA -0.133 5.452 4.350 2.059 0.000 0.270 399 T C 1.727 176.420 174.700 -0.011 0.000 1.147 399 T CA 0.761 62.882 62.100 0.035 0.000 1.089 399 T CB -0.646 68.237 68.868 0.024 0.000 0.875 399 T HN 0.111 nan 8.240 nan 0.000 0.541 400 R N 0.067 120.493 120.500 -0.123 0.000 2.073 400 R HA -0.029 5.546 4.340 2.059 0.000 0.234 400 R C 1.222 177.283 176.300 -0.399 0.000 1.134 400 R CA 1.719 57.591 56.100 -0.379 0.000 0.952 400 R CB -0.283 29.567 30.300 -0.751 0.000 0.850 400 R HN 0.585 nan 8.270 nan 0.000 0.433 401 W N 0.937 122.287 121.300 0.084 0.000 3.447 401 W HA 0.143 6.038 4.660 2.059 0.000 0.348 401 W C 0.427 177.058 176.519 0.187 0.000 1.220 401 W CA -0.314 57.117 57.345 0.143 0.000 1.809 401 W CB 0.178 29.692 29.460 0.089 0.000 1.040 401 W HN 0.177 nan 8.180 nan 0.000 0.735 402 L N -3.660 117.725 121.223 0.270 0.000 3.888 402 L HA 0.367 5.943 4.340 2.059 0.000 0.369 402 L C 1.704 178.636 176.870 0.103 0.000 1.200 402 L CA 0.680 55.629 54.840 0.180 0.000 1.268 402 L CB -0.734 41.414 42.059 0.149 0.000 1.573 402 L HN -0.158 nan 8.230 nan 0.000 0.632 403 S N 2.030 117.796 115.700 0.110 0.000 2.359 403 S HA -0.282 5.423 4.470 2.059 0.000 0.223 403 S C 1.388 176.003 174.600 0.025 0.000 1.039 403 S CA 2.288 60.526 58.200 0.063 0.000 1.042 403 S CB -0.392 62.843 63.200 0.058 0.000 0.915 403 S HN 0.581 nan 8.310 nan 0.000 0.439 404 K N 0.174 120.567 120.400 -0.012 0.000 2.985 404 K HA -0.216 5.340 4.320 2.059 0.000 0.277 404 K C 0.231 176.805 176.600 -0.043 0.000 1.075 404 K CA 1.445 57.668 56.287 -0.107 0.000 0.822 404 K CB -1.158 31.252 32.500 -0.150 0.000 1.211 404 K HN 0.577 nan 8.250 nan 0.000 0.458 405 D N -0.402 119.994 120.400 -0.007 0.000 2.602 405 D HA -0.004 5.871 4.640 2.059 0.000 0.284 405 D C 1.217 177.521 176.300 0.007 0.000 1.065 405 D CA 0.897 54.897 54.000 -0.001 0.000 0.923 405 D CB 0.178 40.981 40.800 0.004 0.000 1.373 405 D HN 0.470 nan 8.370 nan 0.000 0.492 406 K N 1.021 121.429 120.400 0.015 0.000 2.387 406 K HA 0.145 5.700 4.320 2.059 0.000 0.198 406 K C -0.378 176.236 176.600 0.023 0.000 1.022 406 K CA -0.148 56.148 56.287 0.015 0.000 1.128 406 K CB 0.444 32.951 32.500 0.012 0.000 0.853 406 K HN -0.206 nan 8.250 nan 0.000 0.523 407 D N 1.828 122.252 120.400 0.039 0.000 2.264 407 D HA 0.081 5.956 4.640 2.059 0.000 0.250 407 D C 0.711 177.039 176.300 0.047 0.000 1.113 407 D CA -0.368 53.673 54.000 0.067 0.000 0.871 407 D CB 1.636 42.535 40.800 0.166 0.000 1.167 407 D HN 0.109 nan 8.370 nan 0.000 0.447 408 L N 0.675 121.921 121.223 0.039 0.000 2.556 408 L HA 0.450 6.025 4.340 2.059 0.000 0.226 408 L C 0.560 177.454 176.870 0.040 0.000 1.089 408 L CA 0.170 55.027 54.840 0.029 0.000 0.864 408 L CB -0.406 41.661 42.059 0.013 0.000 1.067 408 L HN 0.308 nan 8.230 nan 0.000 0.477 409 I N -0.941 119.664 120.570 0.057 0.000 2.828 409 I HA 0.638 6.043 4.170 2.059 0.000 0.302 409 I C -1.566 174.639 176.117 0.147 0.000 1.101 409 I CA -0.624 60.716 61.300 0.067 0.000 1.031 409 I CB 2.369 40.372 38.000 0.006 0.000 1.231 409 I HN 0.097 nan 8.210 nan 0.000 0.427 410 H N 5.214 124.307 119.070 0.037 0.000 3.026 410 H HA 0.454 6.244 4.556 2.058 0.000 0.352 410 H C -2.085 173.347 175.328 0.174 0.000 1.090 410 H CA -0.338 55.755 56.048 0.075 0.000 1.268 410 H CB 1.812 31.618 29.762 0.073 0.000 1.816 410 H HN 0.485 nan 8.280 nan 0.000 0.518 411 F N 3.965 123.804 119.950 -0.185 0.000 2.522 411 F HA 0.597 6.358 4.527 2.057 0.000 0.324 411 F C -0.550 175.307 175.800 0.094 0.000 1.077 411 F CA -0.983 56.972 58.000 -0.075 0.000 0.944 411 F CB 1.038 39.953 39.000 -0.141 0.000 1.175 411 F HN 0.372 nan 8.300 nan 0.000 0.468 412 R N 2.991 123.207 120.500 -0.474 0.000 2.536 412 R HA 0.191 5.766 4.340 2.059 0.000 0.279 412 R C -0.575 175.538 176.300 -0.312 0.000 1.001 412 R CA -0.899 55.093 56.100 -0.179 0.000 1.027 412 R CB 0.790 30.962 30.300 -0.213 0.000 1.096 412 R HN 0.642 nan 8.270 nan 0.000 0.502 413 N N 2.253 120.932 118.700 -0.034 0.000 2.475 413 N HA 0.010 5.985 4.740 2.059 0.000 0.267 413 N C 0.257 175.743 175.510 -0.041 0.000 1.169 413 N CA 0.081 53.020 53.050 -0.186 0.000 0.947 413 N CB 0.776 38.945 38.487 -0.530 0.000 1.061 413 N HN 0.470 nan 8.380 nan 0.000 0.466 414 L N 3.055 124.258 121.223 -0.034 0.000 2.640 414 L HA 0.207 5.782 4.340 2.059 0.000 0.230 414 L C 2.262 179.172 176.870 0.067 0.000 1.123 414 L CA -0.105 54.778 54.840 0.072 0.000 0.900 414 L CB 0.036 42.148 42.059 0.090 0.000 1.146 414 L HN 0.659 nan 8.230 nan 0.000 0.484 415 G N 0.786 109.551 108.800 -0.059 0.000 2.550 415 G HA2 -0.301 4.894 3.960 2.059 0.000 0.222 415 G HA3 -0.301 4.894 3.960 2.059 0.000 0.222 415 G C 1.151 175.868 174.900 -0.305 0.000 1.113 415 G CA 1.028 45.991 45.100 -0.229 0.000 0.748 415 G HN 0.353 nan 8.290 nan 0.000 0.585 416 F N 0.762 120.745 119.950 0.055 0.000 2.695 416 F HA 0.418 6.178 4.527 2.056 0.000 0.303 416 F C 1.748 177.614 175.800 0.109 0.000 1.091 416 F CA 0.323 58.364 58.000 0.070 0.000 1.300 416 F CB 0.481 39.499 39.000 0.031 0.000 1.071 416 F HN 0.441 nan 8.300 nan 0.000 0.578 417 G N 0.021 108.987 108.800 0.278 0.000 2.508 417 G HA2 -0.210 4.985 3.960 2.059 0.000 0.220 417 G HA3 -0.210 4.985 3.960 2.059 0.000 0.220 417 G C -1.116 173.999 174.900 0.358 0.000 1.287 417 G CA -0.331 44.951 45.100 0.303 0.000 0.916 417 G HN 0.269 nan 8.290 nan 0.000 0.574 418 W N -0.110 121.160 121.300 -0.050 0.000 3.173 418 W HA 0.508 6.402 4.660 2.057 0.000 0.313 418 W C 0.628 176.980 176.519 -0.279 0.000 1.228 418 W CA 0.998 58.179 57.345 -0.274 0.000 1.185 418 W CB 0.941 30.020 29.460 -0.635 0.000 1.390 418 W HN 2.688 nan 8.180 nan 0.000 0.568 419 G N 0.674 109.220 108.800 -0.424 0.000 2.741 419 G HA2 -0.165 5.030 3.960 2.059 0.000 0.222 419 G HA3 -0.165 5.030 3.960 2.059 0.000 0.222 419 G C 0.349 175.205 174.900 -0.074 0.000 1.364 419 G CA 0.370 45.371 45.100 -0.166 0.000 0.866 419 G HN 1.529 nan 8.290 nan 0.000 0.555 420 V N -2.517 117.429 119.914 0.053 0.000 3.241 420 V HA 0.248 5.603 4.120 2.059 0.000 0.269 420 V C 1.667 177.923 176.094 0.270 0.000 1.151 420 V CA 2.654 65.040 62.300 0.142 0.000 1.158 420 V CB -0.385 31.582 31.823 0.240 0.000 0.764 420 V HN 0.847 nan 8.190 nan 0.000 0.508 421 R N 1.102 121.738 120.500 0.228 0.000 2.690 421 R HA 0.277 5.852 4.340 2.059 0.000 0.419 421 R C 0.922 177.354 176.300 0.219 0.000 1.090 421 R CA -0.309 55.970 56.100 0.299 0.000 1.064 421 R CB 0.155 30.561 30.300 0.177 0.000 1.391 421 R HN 0.843 nan 8.270 nan 0.000 0.586 422 Q N -0.512 119.380 119.800 0.154 0.000 2.870 422 Q HA -0.026 5.549 4.340 2.059 0.000 0.193 422 Q C -0.162 175.940 176.000 0.169 0.000 1.148 422 Q CA -0.253 55.640 55.803 0.150 0.000 1.212 422 Q CB 0.350 29.122 28.738 0.055 0.000 1.290 422 Q HN 0.198 nan 8.270 nan 0.000 0.686 423 C N 1.816 121.236 119.300 0.200 0.000 2.677 423 C HA 0.086 5.781 4.460 2.059 0.000 0.398 423 C C 1.825 176.878 174.990 0.105 0.000 1.378 423 C CA -0.395 58.749 59.018 0.209 0.000 1.543 423 C CB -1.495 26.476 27.740 0.385 0.000 2.356 423 C HN 0.620 nan 8.230 nan 0.000 0.609 424 V N 5.803 125.775 119.914 0.096 0.000 2.660 424 V HA -0.101 5.254 4.120 2.059 0.000 0.257 424 V C 2.249 178.358 176.094 0.026 0.000 1.088 424 V CA 2.272 64.596 62.300 0.041 0.000 1.106 424 V CB -1.005 30.843 31.823 0.041 0.000 0.686 424 V HN 1.027 nan 8.190 nan 0.000 0.481 425 G N -0.683 108.153 108.800 0.060 0.000 3.189 425 G HA2 0.002 5.197 3.960 2.059 0.000 0.225 425 G HA3 0.002 5.197 3.960 2.059 0.000 0.225 425 G C 1.446 176.353 174.900 0.012 0.000 1.159 425 G CA 0.155 45.285 45.100 0.049 0.000 0.763 425 G HN 0.418 nan 8.290 nan 0.000 0.549 426 R N 0.349 120.810 120.500 -0.066 0.000 2.096 426 R HA -0.085 5.490 4.340 2.059 0.000 0.240 426 R C 2.444 178.448 176.300 -0.492 0.000 1.139 426 R CA 1.201 57.037 56.100 -0.440 0.000 0.952 426 R CB -0.106 29.894 30.300 -0.500 0.000 0.854 426 R HN 0.129 nan 8.270 nan 0.000 0.436 427 R N 0.339 120.687 120.500 -0.253 0.000 2.062 427 R HA -0.016 5.559 4.340 2.059 0.000 0.229 427 R C 2.414 178.674 176.300 -0.066 0.000 1.128 427 R CA 1.274 57.267 56.100 -0.178 0.000 0.960 427 R CB -0.581 29.649 30.300 -0.115 0.000 0.855 427 R HN 0.341 nan 8.270 nan 0.000 0.432 428 I N 0.985 121.561 120.570 0.011 0.000 2.118 428 I HA -0.332 5.073 4.170 2.059 0.000 0.241 428 I C 2.594 178.716 176.117 0.009 0.000 1.070 428 I CA 1.707 63.036 61.300 0.049 0.000 1.327 428 I CB -0.549 37.454 38.000 0.005 0.000 1.034 428 I HN 0.132 nan 8.210 nan 0.000 0.405 429 A N 0.312 123.139 122.820 0.011 0.000 1.940 429 A HA -0.239 5.316 4.320 2.059 0.000 0.219 429 A C 2.196 179.826 177.584 0.077 0.000 1.176 429 A CA 1.868 53.953 52.037 0.080 0.000 0.631 429 A CB -0.627 18.510 19.000 0.229 0.000 0.814 429 A HN 0.510 nan 8.150 nan 0.000 0.446 430 E N -0.965 119.217 120.200 -0.029 0.000 2.106 430 E HA -0.144 5.441 4.350 2.059 0.000 0.192 430 E C 1.925 178.546 176.600 0.035 0.000 0.984 430 E CA 1.159 57.553 56.400 -0.011 0.000 0.806 430 E CB -0.184 29.427 29.700 -0.147 0.000 0.750 430 E HN 0.554 nan 8.360 nan 0.000 0.458 431 L N 1.292 122.535 121.223 0.034 0.000 2.102 431 L HA -0.078 5.498 4.340 2.059 0.000 0.202 431 L C 2.291 179.221 176.870 0.101 0.000 1.076 431 L CA 1.728 56.605 54.840 0.063 0.000 0.761 431 L CB -0.306 41.801 42.059 0.081 0.000 0.921 431 L HN 0.011 nan 8.230 nan 0.000 0.444 432 E N -0.384 119.876 120.200 0.100 0.000 2.114 432 E HA -0.299 5.286 4.350 2.059 0.000 0.199 432 E C 2.020 178.760 176.600 0.234 0.000 1.008 432 E CA 2.272 58.763 56.400 0.153 0.000 0.810 432 E CB -0.209 29.528 29.700 0.062 0.000 0.739 432 E HN 0.609 nan 8.360 nan 0.000 0.456 433 M N -0.203 119.495 119.600 0.162 0.000 2.349 433 M HA -0.048 5.668 4.480 2.059 0.000 0.266 433 M C 2.176 178.557 176.300 0.135 0.000 1.076 433 M CA 1.265 56.647 55.300 0.136 0.000 1.126 433 M CB 0.111 32.766 32.600 0.093 0.000 1.392 433 M HN 0.070 nan 8.290 nan 0.000 0.440 434 T N 1.154 115.775 114.554 0.112 0.000 2.812 434 T HA -0.046 5.539 4.350 2.059 0.000 0.264 434 T C 1.762 176.503 174.700 0.068 0.000 1.042 434 T CA 0.979 63.124 62.100 0.074 0.000 1.140 434 T CB -0.156 68.745 68.868 0.054 0.000 0.870 434 T HN 0.123 nan 8.240 nan 0.000 0.445 435 L N 0.639 121.921 121.223 0.098 0.000 2.046 435 L HA 0.105 5.680 4.340 2.059 0.000 0.208 435 L C 2.030 178.967 176.870 0.111 0.000 1.077 435 L CA 1.389 56.267 54.840 0.062 0.000 0.747 435 L CB -1.078 41.071 42.059 0.149 0.000 0.896 435 L HN 0.296 nan 8.230 nan 0.000 0.432 436 F N -0.912 119.067 119.950 0.049 0.000 2.216 436 F HA -0.194 5.568 4.527 2.059 0.000 0.300 436 F C 2.104 177.882 175.800 -0.038 0.000 1.085 436 F CA 1.282 59.260 58.000 -0.037 0.000 1.326 436 F CB 0.062 38.949 39.000 -0.188 0.000 1.027 436 F HN -0.039 nan 8.300 nan 0.000 0.497 437 L N -0.184 121.192 121.223 0.255 0.000 2.179 437 L HA -0.113 5.463 4.340 2.059 0.000 0.208 437 L C 2.314 179.197 176.870 0.022 0.000 1.096 437 L CA 0.732 55.656 54.840 0.139 0.000 0.779 437 L CB -0.436 41.638 42.059 0.025 0.000 0.922 437 L HN 0.217 nan 8.230 nan 0.000 0.443 438 I N -0.781 119.756 120.570 -0.055 0.000 2.113 438 I HA -0.331 5.074 4.170 2.059 0.000 0.238 438 I C 2.672 178.704 176.117 -0.142 0.000 1.070 438 I CA 1.148 62.369 61.300 -0.132 0.000 1.332 438 I CB -0.483 37.367 38.000 -0.250 0.000 1.044 438 I HN 0.293 nan 8.210 nan 0.000 0.402 439 H N 0.661 119.689 119.070 -0.070 0.000 2.319 439 H HA -0.144 5.647 4.556 2.058 0.000 0.297 439 H C 2.336 177.559 175.328 -0.176 0.000 1.097 439 H CA 1.495 57.464 56.048 -0.132 0.000 1.285 439 H CB -0.367 29.304 29.762 -0.153 0.000 1.368 439 H HN 0.260 nan 8.280 nan 0.000 0.495 440 I N 0.560 121.103 120.570 -0.045 0.000 2.454 440 I HA -0.196 5.209 4.170 2.059 0.000 0.254 440 I C 2.460 178.630 176.117 0.088 0.000 1.156 440 I CA 0.825 62.161 61.300 0.060 0.000 1.433 440 I CB -0.644 37.427 38.000 0.118 0.000 1.082 440 I HN 0.181 nan 8.210 nan 0.000 0.432 441 L N -0.080 121.168 121.223 0.042 0.000 2.249 441 L HA -0.048 5.527 4.340 2.059 0.000 0.207 441 L C 1.934 178.808 176.870 0.007 0.000 1.090 441 L CA 0.686 55.562 54.840 0.060 0.000 0.802 441 L CB -0.108 41.989 42.059 0.063 0.000 0.947 441 L HN 0.142 nan 8.230 nan 0.000 0.453 442 E N -0.435 119.737 120.200 -0.046 0.000 2.489 442 E HA -0.024 5.561 4.350 2.059 0.000 0.193 442 E C 0.995 177.506 176.600 -0.148 0.000 1.057 442 E CA 0.032 56.390 56.400 -0.071 0.000 0.866 442 E CB 0.334 30.001 29.700 -0.054 0.000 0.916 442 E HN 0.424 nan 8.360 nan 0.000 0.500 443 N N -0.845 117.686 118.700 -0.282 0.000 2.529 443 N HA 0.108 6.083 4.740 2.059 0.000 0.231 443 N C -0.337 174.774 175.510 -0.666 0.000 1.072 443 N CA 0.446 53.103 53.050 -0.656 0.000 0.854 443 N CB 0.843 38.603 38.487 -1.212 0.000 1.465 443 N HN -0.048 nan 8.380 nan 0.000 0.452 444 F N 0.881 120.924 119.950 0.154 0.000 2.551 444 F HA 0.414 6.176 4.527 2.058 0.000 0.316 444 F C 0.568 176.483 175.800 0.191 0.000 1.089 444 F CA -1.008 57.126 58.000 0.223 0.000 0.915 444 F CB 2.393 41.615 39.000 0.369 0.000 1.186 444 F HN -0.372 nan 8.300 nan 0.000 0.456 445 K N 3.278 123.887 120.400 0.348 0.000 2.457 445 K HA 0.364 5.919 4.320 2.059 0.000 0.226 445 K C -0.672 175.991 176.600 0.105 0.000 1.114 445 K CA -0.348 56.059 56.287 0.200 0.000 1.089 445 K CB 0.649 33.247 32.500 0.164 0.000 1.739 445 K HN 0.626 nan 8.250 nan 0.000 0.473 446 V N 2.370 122.312 119.914 0.047 0.000 2.814 446 V HA -0.044 5.311 4.120 2.059 0.000 0.307 446 V C -0.292 175.707 176.094 -0.159 0.000 1.089 446 V CA 1.087 63.263 62.300 -0.208 0.000 1.212 446 V CB 0.627 32.237 31.823 -0.355 0.000 0.912 446 V HN 0.828 nan 8.190 nan 0.000 0.497 447 E N 4.652 124.722 120.200 -0.215 0.000 2.415 447 E HA 0.616 6.201 4.350 2.059 0.000 0.255 447 E C -1.327 175.154 176.600 -0.198 0.000 0.936 447 E CA -1.054 55.246 56.400 -0.167 0.000 0.876 447 E CB 1.933 31.564 29.700 -0.117 0.000 1.696 447 E HN 0.671 nan 8.360 nan 0.000 0.435 448 M N 1.114 120.616 119.600 -0.163 0.000 2.446 448 M HA 0.139 5.854 4.480 2.059 0.000 0.294 448 M C 0.368 176.605 176.300 -0.105 0.000 1.158 448 M CA -0.367 54.853 55.300 -0.133 0.000 0.899 448 M CB 2.288 34.799 32.600 -0.148 0.000 1.687 448 M HN 0.477 nan 8.290 nan 0.000 0.455 449 Q N 0.716 120.473 119.800 -0.071 0.000 2.197 449 Q HA -0.113 5.462 4.340 2.059 0.000 0.207 449 Q C 0.284 176.191 176.000 -0.156 0.000 0.984 449 Q CA 1.378 57.124 55.803 -0.095 0.000 0.869 449 Q CB 0.072 28.777 28.738 -0.055 0.000 0.906 449 Q HN 0.555 nan 8.270 nan 0.000 0.426 450 H N -1.167 117.886 119.070 -0.028 0.000 3.015 450 H HA 0.393 6.184 4.556 2.058 0.000 0.282 450 H C -0.590 174.726 175.328 -0.019 0.000 1.508 450 H CA -1.317 54.719 56.048 -0.019 0.000 1.209 450 H CB 0.956 30.715 29.762 -0.006 0.000 1.869 450 H HN -0.032 nan 8.280 nan 0.000 0.591 451 I N 1.712 122.427 120.570 0.242 0.000 2.919 451 I HA -0.029 5.377 4.170 2.059 0.000 0.299 451 I C 1.072 177.246 176.117 0.095 0.000 1.221 451 I CA 0.733 62.105 61.300 0.120 0.000 1.424 451 I CB -0.058 38.006 38.000 0.108 0.000 1.358 451 I HN 0.408 nan 8.210 nan 0.000 0.551 452 G N 5.165 113.996 108.800 0.052 0.000 2.319 452 G HA2 0.445 5.640 3.960 2.059 0.000 0.308 452 G HA3 0.445 5.640 3.960 2.059 0.000 0.308 452 G C -0.440 174.587 174.900 0.211 0.000 1.117 452 G CA -0.396 44.758 45.100 0.091 0.000 0.903 452 G HN 0.807 nan 8.290 nan 0.000 0.436 453 D N 1.711 122.254 120.400 0.239 0.000 2.735 453 D HA 0.180 6.055 4.640 2.059 0.000 0.291 453 D C -0.332 176.093 176.300 0.210 0.000 1.205 453 D CA -0.465 53.669 54.000 0.223 0.000 0.777 453 D CB 0.426 41.314 40.800 0.146 0.000 1.234 453 D HN 0.159 nan 8.370 nan 0.000 0.520 454 V N 0.653 120.709 119.914 0.237 0.000 2.612 454 V HA 0.541 5.896 4.120 2.059 0.000 0.301 454 V C -0.140 176.081 176.094 0.212 0.000 1.046 454 V CA -0.388 61.984 62.300 0.119 0.000 0.946 454 V CB 1.817 33.577 31.823 -0.104 0.000 1.003 454 V HN 0.270 nan 8.190 nan 0.000 0.459 455 D N 0.421 120.968 120.400 0.244 0.000 2.493 455 D HA 0.629 6.504 4.640 2.059 0.000 0.239 455 D C -0.094 176.421 176.300 0.360 0.000 1.049 455 D CA -0.246 53.962 54.000 0.346 0.000 1.008 455 D CB 1.939 42.964 40.800 0.374 0.000 1.398 455 D HN 0.741 nan 8.370 nan 0.000 0.513 456 T N -1.947 112.819 114.554 0.353 0.000 2.943 456 T HA 0.739 6.325 4.350 2.059 0.000 0.284 456 T C -0.460 174.340 174.700 0.166 0.000 1.015 456 T CA -0.619 61.619 62.100 0.229 0.000 1.042 456 T CB 1.026 69.937 68.868 0.071 0.000 1.055 456 T HN 0.278 nan 8.240 nan 0.000 0.500 457 I N 0.979 121.605 120.570 0.093 0.000 2.769 457 I HA 0.663 6.068 4.170 2.059 0.000 0.298 457 I C -1.713 174.450 176.117 0.077 0.000 1.128 457 I CA -1.703 59.705 61.300 0.179 0.000 1.031 457 I CB 2.098 40.208 38.000 0.183 0.000 1.235 457 I HN 0.801 nan 8.210 nan 0.000 0.423 458 F N 7.311 127.301 119.950 0.066 0.000 2.404 458 F HA 0.535 6.297 4.527 2.057 0.000 0.358 458 F C -0.269 175.547 175.800 0.027 0.000 1.120 458 F CA -0.136 57.861 58.000 -0.004 0.000 1.144 458 F CB 0.369 39.415 39.000 0.077 0.000 1.133 458 F HN 0.433 nan 8.300 nan 0.000 0.495 459 N N 8.988 127.230 118.700 -0.764 0.000 2.703 459 N HA 0.149 6.124 4.740 2.059 0.000 0.283 459 N C 0.576 175.649 175.510 -0.728 0.000 1.851 459 N CA -0.066 52.586 53.050 -0.664 0.000 0.826 459 N CB 1.089 39.428 38.487 -0.247 0.000 1.239 459 N HN 0.817 nan 8.380 nan 0.000 0.495 460 L N -0.471 120.010 121.223 -1.236 0.000 3.519 460 L HA -0.293 5.282 4.340 2.059 0.000 0.056 460 L C 0.339 176.974 176.870 -0.393 0.000 4.396 460 L CA 1.965 56.518 54.840 -0.479 0.000 0.548 460 L CB -1.158 41.009 42.059 0.180 0.000 3.530 460 L HN 0.448 nan 8.230 nan 0.000 0.816 461 I N 0.067 120.329 120.570 -0.513 0.000 2.577 461 I HA 0.413 5.818 4.170 2.059 0.000 0.300 461 I C 0.339 176.285 176.117 -0.286 0.000 0.990 461 I CA -0.795 60.270 61.300 -0.391 0.000 1.283 461 I CB 0.957 38.583 38.000 -0.624 0.000 1.411 461 I HN 0.234 nan 8.210 nan 0.000 0.515 462 L N 4.663 125.811 121.223 -0.125 0.000 2.276 462 L HA 0.493 6.068 4.340 2.059 0.000 0.286 462 L C 0.298 177.207 176.870 0.066 0.000 1.061 462 L CA -0.268 54.528 54.840 -0.073 0.000 0.807 462 L CB 1.274 43.289 42.059 -0.073 0.000 1.177 462 L HN 0.855 nan 8.230 nan 0.000 0.429 463 T N 0.425 115.050 114.554 0.117 0.000 2.916 463 T HA 0.617 6.202 4.350 2.059 0.000 0.292 463 T C -2.837 172.028 174.700 0.274 0.000 1.064 463 T CA -2.226 60.011 62.100 0.228 0.000 1.011 463 T CB 2.117 71.084 68.868 0.165 0.000 1.152 463 T HN 0.263 nan 8.240 nan 0.000 0.510 464 P HA 0.211 nan 4.420 nan 0.000 0.272 464 P C -0.185 177.130 177.300 0.025 0.000 1.223 464 P CA -0.091 63.031 63.100 0.036 0.000 0.784 464 P CB 0.877 32.194 31.700 -0.638 0.000 0.923 465 D N 1.808 122.250 120.400 0.070 0.000 2.162 465 D HA -0.073 5.802 4.640 2.059 0.000 0.205 465 D C 0.127 176.443 176.300 0.027 0.000 0.964 465 D CA 1.466 55.516 54.000 0.085 0.000 0.847 465 D CB -0.281 40.606 40.800 0.145 0.000 0.988 465 D HN 0.365 nan 8.370 nan 0.000 0.480 466 K N 0.363 120.751 120.400 -0.020 0.000 2.166 466 K HA 0.529 6.084 4.320 2.059 0.000 0.245 466 K C -2.602 173.894 176.600 -0.173 0.000 0.967 466 K CA -2.142 54.111 56.287 -0.058 0.000 0.863 466 K CB 1.007 33.495 32.500 -0.019 0.000 1.107 466 K HN -0.117 nan 8.250 nan 0.000 0.436 467 P HA 0.028 nan 4.420 nan 0.000 0.267 467 P C -0.765 176.197 177.300 -0.562 0.000 1.201 467 P CA 0.274 63.111 63.100 -0.438 0.000 0.775 467 P CB 0.382 31.764 31.700 -0.530 0.000 0.854 468 I N 2.369 122.568 120.570 -0.618 0.000 2.406 468 I HA 0.316 5.721 4.170 2.059 0.000 0.290 468 I C -0.522 175.259 176.117 -0.560 0.000 0.999 468 I CA -0.569 60.449 61.300 -0.470 0.000 1.124 468 I CB 0.920 38.736 38.000 -0.307 0.000 1.289 468 I HN 0.131 nan 8.210 nan 0.000 0.441 469 F N 6.771 126.673 119.950 -0.080 0.000 2.361 469 F HA 0.523 6.286 4.527 2.059 0.000 0.364 469 F C -0.121 175.589 175.800 -0.150 0.000 1.117 469 F CA -0.486 57.443 58.000 -0.117 0.000 1.071 469 F CB 0.953 39.889 39.000 -0.105 0.000 1.188 469 F HN 0.132 nan 8.300 nan 0.000 0.464 470 L N 3.488 124.696 121.223 -0.026 0.000 2.334 470 L HA 0.766 6.341 4.340 2.059 0.000 0.272 470 L C -0.698 176.011 176.870 -0.269 0.000 1.020 470 L CA -1.200 53.523 54.840 -0.195 0.000 0.812 470 L CB 1.940 43.838 42.059 -0.268 0.000 1.264 470 L HN 0.160 nan 8.230 nan 0.000 0.439 471 V N 1.579 121.279 119.914 -0.356 0.000 2.350 471 V HA 0.385 5.740 4.120 2.059 0.000 0.285 471 V C -0.628 175.254 176.094 -0.353 0.000 1.014 471 V CA -0.451 61.692 62.300 -0.262 0.000 0.831 471 V CB 0.931 32.659 31.823 -0.157 0.000 1.000 471 V HN 0.360 nan 8.190 nan 0.000 0.433 472 F N 3.866 123.800 119.950 -0.027 0.000 2.408 472 F HA 0.718 6.480 4.527 2.058 0.000 0.344 472 F C 0.640 176.477 175.800 0.062 0.000 1.112 472 F CA -0.442 57.553 58.000 -0.009 0.000 1.096 472 F CB 1.320 40.180 39.000 -0.232 0.000 1.129 472 F HN 0.289 nan 8.300 nan 0.000 0.486 473 R N 3.252 123.935 120.500 0.305 0.000 2.574 473 R HA 0.418 5.993 4.340 2.059 0.000 0.288 473 R C -2.726 173.794 176.300 0.367 0.000 1.004 473 R CA -1.996 54.261 56.100 0.262 0.000 0.895 473 R CB 2.153 32.531 30.300 0.130 0.000 1.191 473 R HN 0.286 nan 8.270 nan 0.000 0.444 474 P HA 0.053 nan 4.420 nan 0.000 0.270 474 P C -0.762 176.790 177.300 0.419 0.000 1.221 474 P CA 0.371 63.719 63.100 0.412 0.000 0.788 474 P CB 0.321 32.231 31.700 0.350 0.000 0.904 475 F N 0.000 119.998 119.950 0.080 0.000 2.286 475 F HA 0.000 5.762 4.527 2.058 0.000 0.279 475 F CA 0.000 58.028 58.000 0.046 0.000 1.383 475 F CB 0.000 39.035 39.000 0.058 0.000 1.145 475 F HN 0.000 nan 8.300 nan 0.000 0.574