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_B 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 0.000 174.668 174.700 -0.053 0.000 1.109 6 T CA 0.000 62.079 62.100 -0.035 0.000 1.349 6 T CB 0.000 68.850 68.868 -0.031 0.000 0.612 7 P HA 0.664 nan 4.420 nan 0.000 0.294 7 P C -0.729 176.516 177.300 -0.093 0.000 1.325 7 P CA -0.872 62.175 63.100 -0.088 0.000 0.978 7 P CB 1.384 33.039 31.700 -0.074 0.000 1.288 8 R N 1.036 121.439 120.500 -0.162 0.000 2.905 8 R HA 0.264 4.605 4.340 0.002 0.000 0.273 8 R C -1.858 174.423 176.300 -0.032 0.000 1.033 8 R CA -0.919 55.093 56.100 -0.147 0.000 1.182 8 R CB -0.610 29.497 30.300 -0.321 0.000 1.097 8 R HN 0.460 nan 8.270 nan 0.000 0.504 9 P HA 0.003 nan 4.420 nan 0.000 0.287 9 P C -0.384 177.023 177.300 0.178 0.000 1.270 9 P CA -0.445 62.708 63.100 0.089 0.000 0.844 9 P CB 0.545 32.277 31.700 0.053 0.000 1.068 10 Y N 2.723 123.048 120.300 0.042 0.000 2.069 10 Y HA -0.329 4.222 4.550 0.002 0.000 0.278 10 Y C 2.398 178.291 175.900 -0.011 0.000 1.175 10 Y CA 3.147 61.253 58.100 0.011 0.000 1.134 10 Y CB -1.306 37.128 38.460 -0.042 0.000 0.965 10 Y HN 0.411 nan 8.280 nan 0.000 0.498 11 S N -0.500 115.135 115.700 -0.108 0.000 2.420 11 S HA -0.280 4.191 4.470 0.002 0.000 0.237 11 S C 1.776 176.271 174.600 -0.175 0.000 1.023 11 S CA 1.490 59.565 58.200 -0.208 0.000 0.991 11 S CB -0.666 62.500 63.200 -0.057 0.000 0.792 11 S HN 0.722 nan 8.310 nan 0.000 0.488 12 E N 0.354 120.529 120.200 -0.043 0.000 2.512 12 E HA 0.177 4.528 4.350 0.002 0.000 0.195 12 E C -0.404 176.231 176.600 0.058 0.000 1.083 12 E CA -0.224 56.205 56.400 0.049 0.000 0.873 12 E CB -0.091 29.690 29.700 0.135 0.000 0.897 12 E HN 0.626 nan 8.360 nan 0.000 0.514 13 I N 3.095 123.516 120.570 -0.250 0.000 2.396 13 I HA 0.094 4.265 4.170 0.002 0.000 0.289 13 I C -2.035 173.867 176.117 -0.358 0.000 1.056 13 I CA -2.170 58.814 61.300 -0.528 0.000 1.365 13 I CB 0.700 38.272 38.000 -0.715 0.000 1.407 13 I HN -0.100 nan 8.210 nan 0.000 0.509 14 P HA 0.001 nan 4.420 nan 0.000 0.263 14 P C -0.820 176.140 177.300 -0.567 0.000 1.175 14 P CA 0.166 63.055 63.100 -0.351 0.000 0.761 14 P CB 0.460 32.023 31.700 -0.227 0.000 0.794 15 S N 1.954 117.256 115.700 -0.663 0.000 2.596 15 S HA 0.528 4.999 4.470 0.002 0.000 0.270 15 S C -2.443 171.870 174.600 -0.479 0.000 1.155 15 S CA -1.313 56.534 58.200 -0.588 0.000 0.827 15 S CB 1.188 64.195 63.200 -0.322 0.000 1.130 15 S HN 0.085 nan 8.310 nan 0.000 0.467 16 P HA 0.237 nan 4.420 nan 0.000 0.225 16 P C 0.687 177.952 177.300 -0.058 0.000 1.148 16 P CA 1.705 64.781 63.100 -0.040 0.000 0.779 16 P CB -0.404 31.303 31.700 0.012 0.000 0.780 17 G N -0.465 108.262 108.800 -0.121 0.000 2.339 17 G HA2 -0.065 3.896 3.960 0.002 0.000 0.381 17 G HA3 -0.065 3.896 3.960 0.002 0.000 0.381 17 G C -0.972 173.853 174.900 -0.124 0.000 1.400 17 G CA -0.206 44.832 45.100 -0.103 0.000 1.002 17 G HN -0.019 nan 8.290 nan 0.000 0.633 18 D N -0.477 119.856 120.400 -0.112 0.000 2.328 18 D HA 0.013 4.654 4.640 0.002 0.000 0.221 18 D C 0.666 176.892 176.300 -0.123 0.000 1.072 18 D CA 0.134 54.061 54.000 -0.122 0.000 0.850 18 D CB -0.171 40.567 40.800 -0.103 0.000 0.922 18 D HN 0.431 nan 8.370 nan 0.000 0.516 19 N N -0.500 118.132 118.700 -0.114 0.000 2.521 19 N HA 0.209 4.950 4.740 0.002 0.000 0.236 19 N C 1.312 176.708 175.510 -0.190 0.000 1.067 19 N CA -0.233 52.751 53.050 -0.111 0.000 0.939 19 N CB 0.752 39.208 38.487 -0.053 0.000 1.201 19 N HN 0.166 nan 8.380 nan 0.000 0.511 20 G N 2.462 111.060 108.800 -0.337 0.000 2.587 20 G HA2 -0.287 3.675 3.960 0.002 0.000 0.217 20 G HA3 -0.287 3.675 3.960 0.002 0.000 0.217 20 G C 0.791 175.376 174.900 -0.524 0.000 1.240 20 G CA 0.618 45.374 45.100 -0.573 0.000 0.794 20 G HN 0.758 nan 8.290 nan 0.000 0.580 21 W N 0.321 121.559 121.300 -0.103 0.000 2.331 21 W HA 0.031 4.692 4.660 0.002 0.000 0.291 21 W C 2.310 178.773 176.519 -0.093 0.000 1.214 21 W CA 0.116 57.407 57.345 -0.091 0.000 1.228 21 W CB -0.599 28.822 29.460 -0.065 0.000 1.135 21 W HN 0.214 nan 8.180 nan 0.000 0.537 22 L N 1.526 122.778 121.223 0.049 0.000 1.961 22 L HA -0.233 4.108 4.340 0.002 0.000 0.210 22 L C 2.077 178.818 176.870 -0.214 0.000 1.072 22 L CA 2.069 56.862 54.840 -0.078 0.000 0.749 22 L CB -1.306 40.686 42.059 -0.111 0.000 0.889 22 L HN -0.093 nan 8.230 nan 0.000 0.432 23 N N -0.169 118.406 118.700 -0.209 0.000 2.132 23 N HA -0.255 4.486 4.740 0.002 0.000 0.191 23 N C 1.990 177.428 175.510 -0.120 0.000 1.015 23 N CA 1.736 54.681 53.050 -0.175 0.000 0.864 23 N CB -0.562 37.823 38.487 -0.170 0.000 1.006 23 N HN 0.437 nan 8.380 nan 0.000 0.430 24 L N -0.204 120.928 121.223 -0.152 0.000 2.017 24 L HA -0.220 4.121 4.340 0.002 0.000 0.208 24 L C 2.319 179.185 176.870 -0.007 0.000 1.073 24 L CA 1.375 56.099 54.840 -0.194 0.000 0.745 24 L CB -0.371 41.557 42.059 -0.218 0.000 0.894 24 L HN 0.153 nan 8.230 nan 0.000 0.432 25 Y N 0.140 120.449 120.300 0.014 0.000 2.207 25 Y HA -0.315 4.237 4.550 0.002 0.000 0.287 25 Y C 2.401 178.440 175.900 0.232 0.000 1.156 25 Y CA 2.039 60.232 58.100 0.155 0.000 1.182 25 Y CB -0.456 38.062 38.460 0.097 0.000 0.979 25 Y HN 0.335 nan 8.280 nan 0.000 0.521 26 H N -2.066 117.017 119.070 0.021 0.000 2.363 26 H HA -0.129 4.428 4.556 0.002 0.000 0.301 26 H C 2.053 177.370 175.328 -0.019 0.000 1.074 26 H CA 0.967 56.974 56.048 -0.068 0.000 1.354 26 H CB -0.437 29.334 29.762 0.015 0.000 1.397 26 H HN 0.449 nan 8.280 nan 0.000 0.516 27 F N 0.437 120.367 119.950 -0.033 0.000 2.154 27 F HA -0.271 4.257 4.527 0.001 0.000 0.301 27 F C 1.234 177.036 175.800 0.002 0.000 1.087 27 F CA 0.853 58.784 58.000 -0.115 0.000 1.274 27 F CB 0.052 38.857 39.000 -0.325 0.000 1.009 27 F HN 0.197 nan 8.300 nan 0.000 0.485 28 W N 0.831 122.087 121.300 -0.073 0.000 3.353 28 W HA 0.225 4.886 4.660 0.002 0.000 0.304 28 W C 2.006 178.399 176.519 -0.210 0.000 1.273 28 W CA 0.016 57.253 57.345 -0.180 0.000 1.773 28 W CB -0.658 28.784 29.460 -0.031 0.000 1.095 28 W HN 0.125 nan 8.180 nan 0.000 0.676 29 R N 0.117 120.591 120.500 -0.043 0.000 2.469 29 R HA 0.073 4.414 4.340 0.002 0.000 0.250 29 R C 0.839 177.076 176.300 -0.105 0.000 0.909 29 R CA 0.299 56.318 56.100 -0.135 0.000 1.050 29 R CB 0.305 30.412 30.300 -0.322 0.000 1.256 29 R HN 0.031 nan 8.270 nan 0.000 0.550 30 E N 0.949 121.092 120.200 -0.094 0.000 2.479 30 E HA 0.038 4.389 4.350 0.002 0.000 0.193 30 E C -0.754 175.784 176.600 -0.104 0.000 1.049 30 E CA -0.070 56.273 56.400 -0.095 0.000 0.870 30 E CB 0.412 30.064 29.700 -0.080 0.000 0.944 30 E HN -0.043 nan 8.360 nan 0.000 0.492 31 K N -0.041 120.294 120.400 -0.108 0.000 5.934 31 K HA -0.191 4.130 4.320 0.002 0.000 0.500 31 K C 0.322 176.814 176.600 -0.180 0.000 1.231 31 K CA 0.573 56.793 56.287 -0.112 0.000 1.388 31 K CB -1.259 31.203 32.500 -0.063 0.000 1.841 31 K HN 0.389 nan 8.250 nan 0.000 0.357 32 G N 0.356 108.921 108.800 -0.392 0.000 2.907 32 G HA2 -0.048 3.913 3.960 0.002 0.000 0.200 32 G HA3 -0.048 3.913 3.960 0.002 0.000 0.200 32 G C 1.198 175.861 174.900 -0.396 0.000 1.101 32 G CA 0.416 45.193 45.100 -0.539 0.000 0.806 32 G HN 0.733 nan 8.290 nan 0.000 0.640 33 S N 0.453 115.835 115.700 -0.531 0.000 2.508 33 S HA -0.364 4.107 4.470 0.002 0.000 0.276 33 S C 1.706 176.415 174.600 0.182 0.000 1.154 33 S CA 2.475 60.710 58.200 0.059 0.000 1.079 33 S CB -0.413 62.905 63.200 0.196 0.000 0.922 33 S HN 0.528 nan 8.310 nan 0.000 0.469 34 Q N -1.014 118.873 119.800 0.145 0.000 2.127 34 Q HA 0.306 4.647 4.340 0.002 0.000 0.222 34 Q C 1.050 177.206 176.000 0.260 0.000 0.794 34 Q CA -0.239 55.751 55.803 0.311 0.000 1.010 34 Q CB 0.693 29.579 28.738 0.246 0.000 1.170 34 Q HN 0.560 nan 8.270 nan 0.000 0.479 35 R N 0.249 120.802 120.500 0.089 0.000 2.509 35 R HA 0.250 4.591 4.340 0.002 0.000 0.300 35 R C 1.715 177.893 176.300 -0.203 0.000 0.985 35 R CA -0.082 56.035 56.100 0.029 0.000 1.092 35 R CB 0.286 30.630 30.300 0.074 0.000 1.237 35 R HN 0.189 nan 8.270 nan 0.000 0.546 36 I N 2.433 122.879 120.570 -0.206 0.000 2.285 36 I HA -0.413 3.758 4.170 0.002 0.000 0.253 36 I C 2.377 178.038 176.117 -0.759 0.000 1.104 36 I CA 1.802 62.843 61.300 -0.432 0.000 1.372 36 I CB 0.045 37.626 38.000 -0.699 0.000 1.057 36 I HN 0.356 nan 8.210 nan 0.000 0.431 37 H N -0.567 118.063 119.070 -0.733 0.000 2.355 37 H HA -0.090 4.467 4.556 0.001 0.000 0.303 37 H C 2.095 177.108 175.328 -0.523 0.000 1.061 37 H CA 1.117 56.700 56.048 -0.775 0.000 1.368 37 H CB -1.492 27.619 29.762 -1.084 0.000 1.412 37 H HN 0.314 nan 8.280 nan 0.000 0.523 38 F N 1.966 121.499 119.950 -0.696 0.000 2.154 38 F HA -0.068 4.459 4.527 0.001 0.000 0.301 38 F C 2.923 178.607 175.800 -0.192 0.000 1.087 38 F CA 1.222 59.018 58.000 -0.339 0.000 1.274 38 F CB -0.486 38.297 39.000 -0.361 0.000 1.009 38 F HN 0.064 nan 8.300 nan 0.000 0.485 39 R N -0.744 119.695 120.500 -0.101 0.000 2.120 39 R HA -0.149 4.192 4.340 0.002 0.000 0.234 39 R C 1.967 178.243 176.300 -0.040 0.000 1.123 39 R CA 1.533 57.574 56.100 -0.099 0.000 0.975 39 R CB -0.673 29.541 30.300 -0.143 0.000 0.866 39 R HN 0.495 nan 8.270 nan 0.000 0.446 40 H N -0.120 118.936 119.070 -0.023 0.000 2.387 40 H HA -0.073 4.484 4.556 0.002 0.000 0.299 40 H C 2.112 177.565 175.328 0.209 0.000 1.090 40 H CA 1.106 57.199 56.048 0.076 0.000 1.332 40 H CB 0.078 29.968 29.762 0.213 0.000 1.386 40 H HN 0.153 nan 8.280 nan 0.000 0.516 41 I N 0.867 121.627 120.570 0.317 0.000 2.163 41 I HA -0.207 3.964 4.170 0.002 0.000 0.240 41 I C 2.106 178.303 176.117 0.133 0.000 1.081 41 I CA 1.318 62.788 61.300 0.283 0.000 1.353 41 I CB -0.414 37.740 38.000 0.257 0.000 1.054 41 I HN 0.275 nan 8.210 nan 0.000 0.407 42 E N 1.154 121.375 120.200 0.035 0.000 2.070 42 E HA -0.236 4.115 4.350 0.002 0.000 0.197 42 E C 2.013 178.474 176.600 -0.232 0.000 1.004 42 E CA 1.411 57.761 56.400 -0.083 0.000 0.805 42 E CB -0.129 29.513 29.700 -0.097 0.000 0.744 42 E HN 0.386 nan 8.360 nan 0.000 0.451 43 N N -0.226 118.270 118.700 -0.340 0.000 2.120 43 N HA -0.119 4.622 4.740 0.002 0.000 0.188 43 N C 1.617 176.688 175.510 -0.732 0.000 1.024 43 N CA 1.009 53.618 53.050 -0.734 0.000 0.852 43 N CB -0.216 37.608 38.487 -1.105 0.000 1.003 43 N HN 0.142 nan 8.380 nan 0.000 0.424 44 F N 1.430 121.264 119.950 -0.194 0.000 2.186 44 F HA -0.051 4.477 4.527 0.003 0.000 0.299 44 F C 2.642 178.403 175.800 -0.065 0.000 1.090 44 F CA 0.719 58.719 58.000 0.001 0.000 1.307 44 F CB -0.164 38.903 39.000 0.111 0.000 1.019 44 F HN 0.079 nan 8.300 nan 0.000 0.489 45 Q N 0.574 120.396 119.800 0.037 0.000 2.437 45 Q HA -0.184 4.157 4.340 0.002 0.000 0.210 45 Q C 2.007 177.931 176.000 -0.127 0.000 0.972 45 Q CA 1.036 56.824 55.803 -0.025 0.000 0.903 45 Q CB 0.095 28.813 28.738 -0.033 0.000 0.967 45 Q HN 0.392 nan 8.270 nan 0.000 0.486 46 K N -1.143 119.081 120.400 -0.294 0.000 2.329 46 K HA -0.002 4.319 4.320 0.002 0.000 0.198 46 K C 0.646 176.948 176.600 -0.496 0.000 1.085 46 K CA 0.270 56.266 56.287 -0.485 0.000 0.961 46 K CB 0.468 32.490 32.500 -0.796 0.000 0.971 46 K HN 0.139 nan 8.250 nan 0.000 0.502 47 Y N 0.228 120.456 120.300 -0.120 0.000 2.449 47 Y HA 0.306 4.857 4.550 0.002 0.000 0.254 47 Y C 1.070 177.010 175.900 0.067 0.000 1.140 47 Y CA 0.062 58.133 58.100 -0.048 0.000 1.272 47 Y CB 0.413 38.820 38.460 -0.089 0.000 1.114 47 Y HN 0.283 nan 8.280 nan 0.000 0.525 48 G N 1.031 109.961 108.800 0.216 0.000 2.598 48 G HA2 -0.287 3.674 3.960 0.002 0.000 0.244 48 G HA3 -0.287 3.674 3.960 0.002 0.000 0.244 48 G C -1.627 173.535 174.900 0.436 0.000 1.302 48 G CA -0.337 44.929 45.100 0.277 0.000 0.903 48 G HN 0.140 nan 8.290 nan 0.000 0.575 49 P HA -0.051 nan 4.420 nan 0.000 0.219 49 P C 1.156 178.770 177.300 0.522 0.000 1.158 49 P CA 1.957 65.336 63.100 0.465 0.000 0.895 49 P CB 0.131 32.052 31.700 0.367 0.000 0.792 50 I N -3.037 117.767 120.570 0.390 0.000 2.730 50 I HA 0.478 4.650 4.170 0.002 0.000 0.298 50 I C -1.397 174.816 176.117 0.159 0.000 1.089 50 I CA -1.404 60.052 61.300 0.260 0.000 1.041 50 I CB 1.908 39.926 38.000 0.030 0.000 1.235 50 I HN -0.109 nan 8.210 nan 0.000 0.423 51 Y N 4.877 125.150 120.300 -0.045 0.000 2.670 51 Y HA 0.717 5.267 4.550 0.001 0.000 0.334 51 Y C -1.710 174.117 175.900 -0.121 0.000 1.185 51 Y CA -1.248 56.746 58.100 -0.178 0.000 1.053 51 Y CB 0.931 39.300 38.460 -0.153 0.000 1.298 51 Y HN 0.700 nan 8.280 nan 0.000 0.459 52 R N 0.978 121.398 120.500 -0.133 0.000 2.795 52 R HA 0.803 5.144 4.340 0.002 0.000 0.275 52 R C -1.740 174.567 176.300 0.010 0.000 0.981 52 R CA -0.943 55.075 56.100 -0.138 0.000 0.917 52 R CB 2.821 32.961 30.300 -0.267 0.000 1.202 52 R HN 0.869 nan 8.270 nan 0.000 0.469 53 E N 1.412 121.639 120.200 0.045 0.000 2.291 53 E HA 0.196 4.547 4.350 0.002 0.000 0.276 53 E C -1.694 174.849 176.600 -0.094 0.000 0.896 53 E CA -0.758 55.646 56.400 0.006 0.000 0.774 53 E CB 2.198 31.944 29.700 0.076 0.000 1.227 53 E HN 0.521 nan 8.360 nan 0.000 0.413 54 K N 5.301 125.600 120.400 -0.168 0.000 2.263 54 K HA 0.389 4.710 4.320 0.002 0.000 0.272 54 K C -1.186 175.229 176.600 -0.310 0.000 1.033 54 K CA -0.423 55.720 56.287 -0.239 0.000 0.884 54 K CB 0.537 32.888 32.500 -0.248 0.000 1.107 54 K HN 0.472 nan 8.250 nan 0.000 0.460 55 L N 4.977 125.982 121.223 -0.363 0.000 2.316 55 L HA 0.408 4.749 4.340 0.002 0.000 0.280 55 L C 0.679 177.255 176.870 -0.490 0.000 1.006 55 L CA -0.219 54.347 54.840 -0.456 0.000 0.836 55 L CB 1.405 43.138 42.059 -0.545 0.000 1.221 55 L HN 1.092 nan 8.230 nan 0.000 0.418 56 G N 3.587 112.005 108.800 -0.637 0.000 2.528 56 G HA2 -0.327 3.634 3.960 0.002 0.000 0.262 56 G HA3 -0.327 3.634 3.960 0.002 0.000 0.262 56 G C 0.264 174.562 174.900 -1.002 0.000 1.200 56 G CA -0.021 44.518 45.100 -0.936 0.000 0.951 56 G HN 0.631 nan 8.290 nan 0.000 0.566 57 N N 0.547 118.849 118.700 -0.662 0.000 2.575 57 N HA 0.508 5.249 4.740 0.002 0.000 0.275 57 N C -0.824 174.541 175.510 -0.242 0.000 1.202 57 N CA 0.252 53.073 53.050 -0.381 0.000 0.945 57 N CB -0.056 38.348 38.487 -0.138 0.000 1.247 57 N HN 0.403 nan 8.380 nan 0.000 0.510 58 L N -0.063 120.990 121.223 -0.283 0.000 2.580 58 L HA 0.387 4.728 4.340 0.002 0.000 0.266 58 L C -0.318 176.399 176.870 -0.256 0.000 0.955 58 L CA -0.423 54.279 54.840 -0.229 0.000 0.886 58 L CB 2.068 44.003 42.059 -0.206 0.000 1.263 58 L HN 0.025 nan 8.230 nan 0.000 0.406 59 E N 1.466 121.527 120.200 -0.231 0.000 2.336 59 E HA 0.914 5.265 4.350 0.002 0.000 0.267 59 E C -1.199 175.231 176.600 -0.284 0.000 0.906 59 E CA -0.439 55.828 56.400 -0.222 0.000 0.781 59 E CB 2.190 31.797 29.700 -0.155 0.000 1.261 59 E HN 0.588 nan 8.360 nan 0.000 0.436 60 S N 0.352 115.855 115.700 -0.328 0.000 2.625 60 S HA 0.611 5.082 4.470 0.002 0.000 0.271 60 S C -1.217 173.031 174.600 -0.587 0.000 1.161 60 S CA -0.850 57.046 58.200 -0.507 0.000 0.820 60 S CB 1.332 64.098 63.200 -0.723 0.000 1.137 60 S HN 0.260 nan 8.310 nan 0.000 0.470 61 V N 1.025 120.552 119.914 -0.646 0.000 2.769 61 V HA 0.590 4.711 4.120 0.002 0.000 0.312 61 V C -1.615 173.999 176.094 -0.799 0.000 1.058 61 V CA -0.644 61.314 62.300 -0.571 0.000 0.952 61 V CB 1.366 33.007 31.823 -0.302 0.000 1.019 61 V HN 0.905 nan 8.190 nan 0.000 0.445 62 Y N 3.939 123.926 120.300 -0.523 0.000 2.326 62 Y HA 0.658 5.209 4.550 0.001 0.000 0.329 62 Y C 0.214 176.087 175.900 -0.047 0.000 0.973 62 Y CA -0.590 57.252 58.100 -0.430 0.000 1.162 62 Y CB 1.630 39.507 38.460 -0.973 0.000 1.147 62 Y HN 0.591 nan 8.280 nan 0.000 0.456 63 I N 1.339 121.992 120.570 0.139 0.000 2.982 63 I HA 0.601 4.772 4.170 0.002 0.000 0.312 63 I C -0.451 175.633 176.117 -0.056 0.000 1.041 63 I CA -0.784 60.587 61.300 0.119 0.000 1.053 63 I CB 2.764 40.767 38.000 0.005 0.000 1.248 63 I HN 0.796 nan 8.210 nan 0.000 0.471 64 I N 0.362 120.760 120.570 -0.288 0.000 5.157 64 I HA 0.189 4.360 4.170 0.002 0.000 0.350 64 I C 0.000 175.800 176.117 -0.529 0.000 1.233 64 I CA -0.190 60.816 61.300 -0.491 0.000 1.476 64 I CB 0.426 37.836 38.000 -0.984 0.000 1.619 64 I HN 0.586 nan 8.210 nan 0.000 0.557 65 H N 2.664 121.534 119.070 -0.334 0.000 2.610 65 H HA 0.206 4.762 4.556 0.001 0.000 0.336 65 H C -1.764 173.259 175.328 -0.509 0.000 1.087 65 H CA -1.274 54.522 56.048 -0.420 0.000 1.405 65 H CB 1.408 31.085 29.762 -0.141 0.000 1.460 65 H HN 0.073 nan 8.280 nan 0.000 0.538 66 P HA -0.156 nan 4.420 nan 0.000 0.214 66 P C 1.179 178.318 177.300 -0.268 0.000 1.163 66 P CA 1.302 63.921 63.100 -0.803 0.000 0.883 66 P CB 0.399 31.337 31.700 -1.271 0.000 0.788 67 E N -0.124 119.985 120.200 -0.152 0.000 2.113 67 E HA -0.275 4.076 4.350 0.002 0.000 0.210 67 E C 1.571 178.203 176.600 0.055 0.000 1.040 67 E CA 2.072 58.468 56.400 -0.008 0.000 0.847 67 E CB -0.886 28.797 29.700 -0.029 0.000 0.755 67 E HN 0.386 nan 8.360 nan 0.000 0.459 68 D N -0.136 120.274 120.400 0.017 0.000 2.219 68 D HA -0.103 4.538 4.640 0.002 0.000 0.205 68 D C 1.912 178.265 176.300 0.088 0.000 0.970 68 D CA 0.680 54.709 54.000 0.048 0.000 0.851 68 D CB 0.005 40.818 40.800 0.022 0.000 0.943 68 D HN 0.039 nan 8.370 nan 0.000 0.488 69 V N 0.757 120.707 119.914 0.060 0.000 2.446 69 V HA -0.072 4.049 4.120 0.002 0.000 0.244 69 V C 2.446 178.712 176.094 0.288 0.000 1.039 69 V CA 1.238 63.613 62.300 0.125 0.000 1.045 69 V CB -0.769 31.119 31.823 0.108 0.000 0.681 69 V HN 0.205 nan 8.190 nan 0.000 0.459 70 A N -0.006 122.975 122.820 0.269 0.000 1.896 70 A HA -0.397 3.924 4.320 0.002 0.000 0.220 70 A C 2.103 179.842 177.584 0.258 0.000 1.206 70 A CA 2.960 55.152 52.037 0.258 0.000 0.647 70 A CB -0.996 18.132 19.000 0.213 0.000 0.828 70 A HN 0.752 nan 8.150 nan 0.000 0.455 71 H N -1.454 117.714 119.070 0.164 0.000 2.395 71 H HA 0.017 4.574 4.556 0.001 0.000 0.299 71 H C 1.824 177.318 175.328 0.277 0.000 1.070 71 H CA 1.316 57.488 56.048 0.208 0.000 1.356 71 H CB -0.090 29.774 29.762 0.169 0.000 1.401 71 H HN 0.363 nan 8.280 nan 0.000 0.524 72 L N -0.340 121.065 121.223 0.304 0.000 2.079 72 L HA -0.156 4.185 4.340 0.002 0.000 0.210 72 L C 1.503 178.429 176.870 0.093 0.000 1.081 72 L CA 1.624 56.550 54.840 0.143 0.000 0.752 72 L CB -0.911 41.087 42.059 -0.102 0.000 0.896 72 L HN 0.227 nan 8.230 nan 0.000 0.433 73 F N 0.285 120.333 119.950 0.162 0.000 2.186 73 F HA -0.114 4.414 4.527 0.001 0.000 0.299 73 F C 2.309 178.150 175.800 0.067 0.000 1.090 73 F CA 1.325 59.406 58.000 0.135 0.000 1.307 73 F CB -0.549 38.537 39.000 0.144 0.000 1.019 73 F HN 0.043 nan 8.300 nan 0.000 0.489 74 K N -0.689 119.773 120.400 0.104 0.000 2.304 74 K HA -0.220 4.101 4.320 0.002 0.000 0.204 74 K C 0.674 176.971 176.600 -0.506 0.000 1.044 74 K CA 1.503 57.615 56.287 -0.292 0.000 0.932 74 K CB -0.421 31.682 32.500 -0.662 0.000 0.735 74 K HN 0.270 nan 8.250 nan 0.000 0.468 75 F N 0.118 120.083 119.950 0.025 0.000 2.698 75 F HA 0.126 4.654 4.527 0.001 0.000 0.304 75 F C 1.310 177.122 175.800 0.019 0.000 1.108 75 F CA -0.513 57.493 58.000 0.011 0.000 1.263 75 F CB 0.282 39.282 39.000 -0.001 0.000 1.013 75 F HN 0.041 nan 8.300 nan 0.000 0.532 76 E N 0.040 120.340 120.200 0.167 0.000 2.347 76 E HA 0.329 4.680 4.350 0.002 0.000 0.196 76 E C 1.490 178.154 176.600 0.107 0.000 1.008 76 E CA 0.706 57.190 56.400 0.141 0.000 0.852 76 E CB 0.062 29.886 29.700 0.207 0.000 0.783 76 E HN 0.263 nan 8.360 nan 0.000 0.505 77 G N 0.169 109.017 108.800 0.080 0.000 2.482 77 G HA2 -0.270 3.691 3.960 0.002 0.000 0.214 77 G HA3 -0.270 3.691 3.960 0.002 0.000 0.214 77 G C 0.529 175.436 174.900 0.011 0.000 1.271 77 G CA -0.060 45.054 45.100 0.024 0.000 0.944 77 G HN 0.140 nan 8.290 nan 0.000 0.568 78 S N -0.715 114.935 115.700 -0.084 0.000 2.524 78 S HA 0.320 4.791 4.470 0.002 0.000 0.222 78 S C 0.274 174.981 174.600 0.178 0.000 1.040 78 S CA 0.471 58.624 58.200 -0.079 0.000 0.915 78 S CB 0.266 63.272 63.200 -0.324 0.000 0.831 78 S HN 0.439 nan 8.310 nan 0.000 0.492 79 Y N 2.266 122.634 120.300 0.113 0.000 2.747 79 Y HA 0.373 4.924 4.550 0.002 0.000 0.362 79 Y C -2.807 172.997 175.900 -0.159 0.000 1.026 79 Y CA -2.656 55.451 58.100 0.012 0.000 1.135 79 Y CB 0.164 38.681 38.460 0.096 0.000 1.175 79 Y HN 0.070 nan 8.280 nan 0.000 0.643 80 P HA -0.057 nan 4.420 nan 0.000 0.265 80 P C -0.347 176.875 177.300 -0.131 0.000 1.187 80 P CA 0.282 63.358 63.100 -0.040 0.000 0.766 80 P CB 0.957 32.672 31.700 0.026 0.000 0.820 81 E N 2.361 122.560 120.200 -0.001 0.000 2.234 81 E HA 0.322 4.673 4.350 0.002 0.000 0.266 81 E C -0.409 176.310 176.600 0.199 0.000 0.877 81 E CA -0.895 55.509 56.400 0.006 0.000 0.758 81 E CB 1.338 30.995 29.700 -0.071 0.000 1.170 81 E HN 0.388 nan 8.360 nan 0.000 0.415 82 R N 2.703 123.307 120.500 0.173 0.000 2.944 82 R HA 0.317 4.658 4.340 0.002 0.000 0.233 82 R C -0.473 176.071 176.300 0.407 0.000 1.346 82 R CA -0.847 55.397 56.100 0.239 0.000 1.082 82 R CB 0.490 30.873 30.300 0.139 0.000 1.434 82 R HN 0.520 nan 8.270 nan 0.000 0.510 83 Y N 1.367 121.767 120.300 0.166 0.000 2.569 83 Y HA -0.005 4.546 4.550 0.002 0.000 0.332 83 Y C -0.615 175.348 175.900 0.106 0.000 1.120 83 Y CA -0.420 57.774 58.100 0.157 0.000 1.416 83 Y CB 0.682 39.157 38.460 0.025 0.000 1.210 83 Y HN 0.514 nan 8.280 nan 0.000 0.528 84 D N 7.371 127.787 120.400 0.028 0.000 2.352 84 D HA 0.107 4.748 4.640 0.002 0.000 0.245 84 D C 0.039 176.082 176.300 -0.428 0.000 1.224 84 D CA 0.019 53.965 54.000 -0.091 0.000 0.879 84 D CB 0.482 41.334 40.800 0.086 0.000 1.057 84 D HN 0.392 nan 8.370 nan 0.000 0.491 85 I N 4.964 125.245 120.570 -0.481 0.000 2.872 85 I HA -0.089 4.082 4.170 0.002 0.000 0.287 85 I C -1.139 174.747 176.117 -0.384 0.000 1.197 85 I CA -1.197 59.663 61.300 -0.734 0.000 1.390 85 I CB 0.158 37.370 38.000 -1.314 0.000 1.400 85 I HN 0.146 nan 8.210 nan 0.000 0.544 86 P HA -0.127 nan 4.420 nan 0.000 0.212 86 P C -1.119 176.264 177.300 0.138 0.000 1.178 86 P CA 1.760 64.856 63.100 -0.007 0.000 0.915 86 P CB -1.049 30.694 31.700 0.072 0.000 0.788 87 P HA -0.227 nan 4.420 nan 0.000 0.217 87 P C 1.235 178.900 177.300 0.608 0.000 1.158 87 P CA 1.794 65.117 63.100 0.371 0.000 0.887 87 P CB -0.825 30.929 31.700 0.091 0.000 0.792 88 W N 0.122 121.673 121.300 0.418 0.000 2.301 88 W HA -0.154 4.507 4.660 0.001 0.000 0.325 88 W C 2.618 179.211 176.519 0.124 0.000 1.250 88 W CA 0.590 58.141 57.345 0.343 0.000 1.261 88 W CB -2.156 27.656 29.460 0.586 0.000 1.157 88 W HN -0.058 nan 8.180 nan 0.000 0.473 89 L N 0.277 121.690 121.223 0.316 0.000 2.079 89 L HA -0.227 4.114 4.340 0.002 0.000 0.210 89 L C 2.702 179.685 176.870 0.189 0.000 1.081 89 L CA 1.559 56.477 54.840 0.131 0.000 0.752 89 L CB -1.430 40.720 42.059 0.152 0.000 0.896 89 L HN -0.029 nan 8.230 nan 0.000 0.433 90 A N -0.406 122.595 122.820 0.302 0.000 1.883 90 A HA -0.306 4.015 4.320 0.002 0.000 0.217 90 A C 2.198 180.046 177.584 0.440 0.000 1.186 90 A CA 1.932 54.178 52.037 0.348 0.000 0.624 90 A CB -0.967 18.272 19.000 0.398 0.000 0.822 90 A HN 0.463 nan 8.150 nan 0.000 0.444 91 Y N 0.071 120.607 120.300 0.392 0.000 2.049 91 Y HA -0.301 4.250 4.550 0.002 0.000 0.277 91 Y C 2.503 178.389 175.900 -0.024 0.000 1.143 91 Y CA 2.587 60.797 58.100 0.183 0.000 1.115 91 Y CB -0.682 37.637 38.460 -0.235 0.000 0.975 91 Y HN 0.517 nan 8.280 nan 0.000 0.487 92 H N -0.486 118.476 119.070 -0.180 0.000 2.352 92 H HA -0.098 4.459 4.556 0.002 0.000 0.299 92 H C 2.292 177.487 175.328 -0.223 0.000 1.097 92 H CA 2.230 58.097 56.048 -0.302 0.000 1.311 92 H CB -0.079 29.434 29.762 -0.416 0.000 1.377 92 H HN 0.304 nan 8.280 nan 0.000 0.504 93 R N -1.089 119.407 120.500 -0.006 0.000 2.066 93 R HA -0.075 4.266 4.340 0.002 0.000 0.224 93 R C 1.923 178.165 176.300 -0.095 0.000 1.122 93 R CA 1.076 57.160 56.100 -0.028 0.000 0.974 93 R CB -0.430 29.882 30.300 0.020 0.000 0.871 93 R HN 0.333 nan 8.270 nan 0.000 0.435 94 Y N 0.164 120.351 120.300 -0.188 0.000 2.224 94 Y HA -0.187 4.364 4.550 0.002 0.000 0.289 94 Y C 0.597 176.165 175.900 -0.553 0.000 1.146 94 Y CA 1.350 59.247 58.100 -0.338 0.000 1.182 94 Y CB 0.224 38.489 38.460 -0.324 0.000 0.983 94 Y HN -0.013 nan 8.280 nan 0.000 0.524 95 Y N 1.592 121.701 120.300 -0.319 0.000 2.811 95 Y HA 0.169 4.720 4.550 0.002 0.000 0.330 95 Y C 0.303 175.952 175.900 -0.418 0.000 1.081 95 Y CA -1.020 56.795 58.100 -0.475 0.000 1.408 95 Y CB -0.760 37.260 38.460 -0.733 0.000 1.235 95 Y HN 0.085 nan 8.280 nan 0.000 0.529 96 Q N 0.013 119.679 119.800 -0.224 0.000 2.358 96 Q HA -0.270 4.072 4.340 0.002 0.000 0.318 96 Q C -0.462 175.464 176.000 -0.123 0.000 1.243 96 Q CA 0.932 56.646 55.803 -0.148 0.000 0.949 96 Q CB -1.028 27.639 28.738 -0.119 0.000 1.224 96 Q HN 0.476 nan 8.270 nan 0.000 0.473 97 K N 1.637 121.921 120.400 -0.195 0.000 2.227 97 K HA 0.341 4.662 4.320 0.002 0.000 0.280 97 K C -1.923 174.709 176.600 0.052 0.000 1.041 97 K CA -1.704 54.473 56.287 -0.184 0.000 0.905 97 K CB 1.080 33.206 32.500 -0.623 0.000 1.068 97 K HN 0.017 nan 8.250 nan 0.000 0.470 98 P HA 0.038 nan 4.420 nan 0.000 0.269 98 P C -0.173 177.364 177.300 0.395 0.000 1.211 98 P CA 0.080 63.328 63.100 0.246 0.000 0.781 98 P CB 0.331 32.178 31.700 0.245 0.000 0.877 99 I N -2.303 118.459 120.570 0.321 0.000 2.533 99 I HA 0.712 4.883 4.170 0.002 0.000 0.290 99 I C 0.237 176.554 176.117 0.332 0.000 1.056 99 I CA -0.941 60.576 61.300 0.361 0.000 1.057 99 I CB 2.244 40.389 38.000 0.242 0.000 1.240 99 I HN 0.324 nan 8.210 nan 0.000 0.423 100 G N 3.551 112.582 108.800 0.384 0.000 2.630 100 G HA2 0.402 4.363 3.960 0.002 0.000 0.223 100 G HA3 0.402 4.363 3.960 0.002 0.000 0.223 100 G C 1.058 176.127 174.900 0.282 0.000 1.434 100 G CA 0.000 45.270 45.100 0.283 0.000 1.057 100 G HN 0.820 nan 8.290 nan 0.000 0.570 101 V N -1.235 118.817 119.914 0.231 0.000 2.324 101 V HA -0.179 3.942 4.120 0.002 0.000 0.250 101 V C 2.712 178.947 176.094 0.236 0.000 1.060 101 V CA 1.951 64.417 62.300 0.276 0.000 1.042 101 V CB -1.104 30.868 31.823 0.249 0.000 0.650 101 V HN 0.352 nan 8.190 nan 0.000 0.450 102 L N -0.349 120.928 121.223 0.089 0.000 2.187 102 L HA -0.036 4.305 4.340 0.002 0.000 0.213 102 L C 1.965 178.503 176.870 -0.554 0.000 1.100 102 L CA 1.992 56.684 54.840 -0.246 0.000 0.765 102 L CB -0.593 41.202 42.059 -0.439 0.000 0.904 102 L HN 0.394 nan 8.230 nan 0.000 0.437 103 F N -1.802 118.216 119.950 0.114 0.000 2.724 103 F HA 0.258 4.786 4.527 0.002 0.000 0.306 103 F C 1.188 177.032 175.800 0.074 0.000 1.100 103 F CA -0.600 57.437 58.000 0.063 0.000 1.255 103 F CB -0.172 38.821 39.000 -0.012 0.000 1.072 103 F HN -0.266 nan 8.300 nan 0.000 0.589 104 K N 1.748 122.302 120.400 0.257 0.000 2.355 104 K HA 0.286 4.607 4.320 0.002 0.000 0.270 104 K C -0.115 176.576 176.600 0.152 0.000 1.003 104 K CA 0.276 56.699 56.287 0.227 0.000 0.957 104 K CB 0.784 33.453 32.500 0.282 0.000 0.939 104 K HN 0.073 nan 8.250 nan 0.000 0.482 105 K N 0.347 120.822 120.400 0.124 0.000 2.263 105 K HA 0.319 4.640 4.320 0.002 0.000 0.249 105 K C -0.370 176.276 176.600 0.076 0.000 1.076 105 K CA -0.602 55.721 56.287 0.061 0.000 0.884 105 K CB 1.690 34.212 32.500 0.036 0.000 1.394 105 K HN 0.897 nan 8.250 nan 0.000 0.476 106 S N -0.771 114.988 115.700 0.099 0.000 3.118 106 S HA -0.259 4.213 4.470 0.002 0.000 0.631 106 S C 1.244 175.585 174.600 -0.433 0.000 2.944 106 S CA 0.886 59.172 58.200 0.144 0.000 3.398 106 S CB -1.734 61.561 63.200 0.158 0.000 0.312 106 S HN 1.002 nan 8.310 nan 0.000 1.625 107 G N 0.691 109.352 108.800 -0.231 0.000 2.443 107 G HA2 0.037 3.998 3.960 0.002 0.000 0.219 107 G HA3 0.037 3.998 3.960 0.002 0.000 0.219 107 G C 1.781 176.557 174.900 -0.206 0.000 1.131 107 G CA 1.940 46.845 45.100 -0.324 0.000 0.775 107 G HN 1.914 nan 8.290 nan 0.000 0.547 108 T N -2.207 112.299 114.554 -0.081 0.000 2.708 108 T HA -0.255 4.096 4.350 0.002 0.000 0.266 108 T C 2.017 176.703 174.700 -0.022 0.000 1.037 108 T CA 1.464 63.550 62.100 -0.023 0.000 1.146 108 T CB -0.536 68.354 68.868 0.036 0.000 0.865 108 T HN 0.415 nan 8.240 nan 0.000 0.435 109 W N 2.586 123.775 121.300 -0.185 0.000 2.301 109 W HA -0.174 4.487 4.660 0.001 0.000 0.325 109 W C 2.395 178.815 176.519 -0.165 0.000 1.250 109 W CA 1.996 59.248 57.345 -0.154 0.000 1.261 109 W CB -0.554 28.815 29.460 -0.151 0.000 1.157 109 W HN 0.177 nan 8.180 nan 0.000 0.473 110 K N 1.097 121.222 120.400 -0.458 0.000 2.211 110 K HA -0.218 4.103 4.320 0.002 0.000 0.204 110 K C 2.066 178.422 176.600 -0.406 0.000 1.047 110 K CA 1.867 57.794 56.287 -0.599 0.000 0.935 110 K CB -0.581 31.748 32.500 -0.286 0.000 0.728 110 K HN 0.260 nan 8.250 nan 0.000 0.452 111 K N 0.295 120.534 120.400 -0.269 0.000 1.965 111 K HA -0.151 4.170 4.320 0.002 0.000 0.214 111 K C 1.332 177.818 176.600 -0.189 0.000 1.046 111 K CA 2.220 58.405 56.287 -0.170 0.000 0.944 111 K CB -0.233 32.209 32.500 -0.096 0.000 0.726 111 K HN 0.087 nan 8.250 nan 0.000 0.441 112 D N -0.334 119.955 120.400 -0.184 0.000 2.178 112 D HA -0.146 4.495 4.640 0.002 0.000 0.201 112 D C 1.868 178.031 176.300 -0.228 0.000 0.980 112 D CA 0.991 54.900 54.000 -0.153 0.000 0.842 112 D CB 0.012 40.769 40.800 -0.072 0.000 0.948 112 D HN 0.109 nan 8.370 nan 0.000 0.472 113 R N 0.316 120.552 120.500 -0.441 0.000 2.276 113 R HA 0.051 4.392 4.340 0.002 0.000 0.203 113 R C 1.642 177.740 176.300 -0.338 0.000 1.017 113 R CA 0.305 56.118 56.100 -0.477 0.000 1.010 113 R CB -0.335 29.371 30.300 -0.989 0.000 0.900 113 R HN 0.157 nan 8.270 nan 0.000 0.469 114 V N -0.734 119.005 119.914 -0.292 0.000 2.300 114 V HA -0.091 4.030 4.120 0.002 0.000 0.241 114 V C 1.920 177.937 176.094 -0.128 0.000 1.034 114 V CA 1.674 63.861 62.300 -0.188 0.000 1.021 114 V CB -0.219 31.512 31.823 -0.153 0.000 0.662 114 V HN 0.223 nan 8.190 nan 0.000 0.458 115 V N 0.374 120.220 119.914 -0.113 0.000 2.214 115 V HA -0.273 3.848 4.120 0.002 0.000 0.247 115 V C 2.431 178.483 176.094 -0.070 0.000 1.051 115 V CA 2.870 65.123 62.300 -0.079 0.000 1.003 115 V CB -0.813 30.973 31.823 -0.063 0.000 0.635 115 V HN 0.527 nan 8.190 nan 0.000 0.447 116 L N 1.034 122.215 121.223 -0.071 0.000 2.054 116 L HA -0.314 4.028 4.340 0.002 0.000 0.220 116 L C 2.424 179.267 176.870 -0.044 0.000 1.081 116 L CA 2.849 57.660 54.840 -0.049 0.000 0.780 116 L CB -1.659 40.373 42.059 -0.044 0.000 0.893 116 L HN 0.575 nan 8.230 nan 0.000 0.438 117 N N -1.862 116.797 118.700 -0.069 0.000 2.137 117 N HA -0.223 4.518 4.740 0.002 0.000 0.190 117 N C 1.566 177.044 175.510 -0.054 0.000 1.017 117 N CA 1.678 54.692 53.050 -0.061 0.000 0.859 117 N CB -0.050 38.387 38.487 -0.085 0.000 1.002 117 N HN 0.627 nan 8.380 nan 0.000 0.428 118 T N -1.632 112.886 114.554 -0.061 0.000 2.985 118 T HA 0.046 4.397 4.350 0.002 0.000 0.266 118 T C 1.308 175.967 174.700 -0.069 0.000 1.076 118 T CA 0.687 62.747 62.100 -0.066 0.000 1.135 118 T CB 0.117 68.947 68.868 -0.063 0.000 0.890 118 T HN 0.058 nan 8.240 nan 0.000 0.480 119 E N 1.181 121.355 120.200 -0.044 0.000 2.479 119 E HA 0.155 4.506 4.350 0.002 0.000 0.193 119 E C 1.789 178.429 176.600 0.066 0.000 1.049 119 E CA 0.553 56.938 56.400 -0.025 0.000 0.870 119 E CB 0.917 30.608 29.700 -0.016 0.000 0.944 119 E HN 0.712 nan 8.360 nan 0.000 0.492 120 V N -4.804 115.155 119.914 0.075 0.000 3.443 120 V HA 0.250 4.371 4.120 0.002 0.000 0.277 120 V C 1.257 177.443 176.094 0.153 0.000 1.648 120 V CA -0.203 62.225 62.300 0.213 0.000 1.058 120 V CB 0.419 32.312 31.823 0.117 0.000 0.877 120 V HN -0.040 nan 8.190 nan 0.000 0.417 121 M N 1.037 120.660 119.600 0.038 0.000 2.363 121 M HA 0.582 5.063 4.480 0.002 0.000 0.243 121 M C 1.204 177.478 176.300 -0.042 0.000 1.364 121 M CA 1.065 56.363 55.300 -0.003 0.000 1.104 121 M CB 0.915 33.498 32.600 -0.028 0.000 1.570 121 M HN 0.429 nan 8.290 nan 0.000 0.564 122 A N 2.025 124.805 122.820 -0.066 0.000 2.488 122 A HA 0.291 4.612 4.320 0.002 0.000 0.249 122 A C -1.659 175.860 177.584 -0.108 0.000 1.083 122 A CA -0.894 51.092 52.037 -0.084 0.000 0.768 122 A CB -0.383 18.564 19.000 -0.088 0.000 1.017 122 A HN 0.139 nan 8.150 nan 0.000 0.496 123 P HA -0.222 nan 4.420 nan 0.000 0.219 123 P C 1.074 178.290 177.300 -0.139 0.000 1.145 123 P CA 1.418 64.459 63.100 -0.097 0.000 0.813 123 P CB 0.196 31.853 31.700 -0.071 0.000 0.771 124 E N -0.492 119.622 120.200 -0.144 0.000 2.085 124 E HA -0.182 4.169 4.350 0.002 0.000 0.194 124 E C 2.028 178.457 176.600 -0.284 0.000 0.994 124 E CA 1.704 58.002 56.400 -0.169 0.000 0.801 124 E CB -0.907 28.712 29.700 -0.135 0.000 0.743 124 E HN 0.279 nan 8.360 nan 0.000 0.453 125 A N 0.757 123.348 122.820 -0.381 0.000 1.898 125 A HA -0.062 4.259 4.320 0.002 0.000 0.214 125 A C 2.237 179.110 177.584 -1.184 0.000 1.183 125 A CA 0.682 52.250 52.037 -0.782 0.000 0.622 125 A CB -0.367 18.247 19.000 -0.644 0.000 0.824 125 A HN 0.089 nan 8.150 nan 0.000 0.444 126 I N 0.141 120.367 120.570 -0.575 0.000 2.179 126 I HA -0.221 3.950 4.170 0.002 0.000 0.242 126 I C 2.344 178.361 176.117 -0.167 0.000 1.088 126 I CA 1.743 62.902 61.300 -0.235 0.000 1.357 126 I CB -0.333 37.645 38.000 -0.036 0.000 1.051 126 I HN 0.274 nan 8.210 nan 0.000 0.409 127 K N 0.599 120.897 120.400 -0.170 0.000 2.044 127 K HA -0.225 4.096 4.320 0.002 0.000 0.210 127 K C 1.841 178.379 176.600 -0.102 0.000 1.049 127 K CA 2.063 58.290 56.287 -0.100 0.000 0.927 127 K CB -0.275 32.167 32.500 -0.095 0.000 0.713 127 K HN 0.466 nan 8.250 nan 0.000 0.443 128 N N -0.689 117.884 118.700 -0.212 0.000 2.453 128 N HA -0.115 4.626 4.740 0.002 0.000 0.183 128 N C 1.335 176.823 175.510 -0.037 0.000 1.041 128 N CA 0.466 53.416 53.050 -0.166 0.000 0.900 128 N CB -0.007 38.315 38.487 -0.274 0.000 0.961 128 N HN 0.088 nan 8.380 nan 0.000 0.443 129 F N 1.168 121.095 119.950 -0.038 0.000 2.219 129 F HA 0.098 4.626 4.527 0.001 0.000 0.294 129 F C 2.041 177.832 175.800 -0.015 0.000 1.086 129 F CA -0.043 57.934 58.000 -0.038 0.000 1.330 129 F CB -0.806 38.164 39.000 -0.049 0.000 1.047 129 F HN -0.112 nan 8.300 nan 0.000 0.495 130 I N 1.165 121.847 120.570 0.187 0.000 2.103 130 I HA -0.316 3.855 4.170 0.002 0.000 0.241 130 I C -0.605 175.572 176.117 0.101 0.000 1.036 130 I CA 1.728 63.098 61.300 0.117 0.000 1.300 130 I CB -2.304 35.741 38.000 0.075 0.000 1.010 130 I HN 0.003 nan 8.210 nan 0.000 0.406 131 P HA -0.109 nan 4.420 nan 0.000 0.240 131 P C 1.146 178.490 177.300 0.074 0.000 1.186 131 P CA 1.442 64.584 63.100 0.071 0.000 0.755 131 P CB -0.069 31.664 31.700 0.055 0.000 0.870 132 L N -2.354 118.922 121.223 0.088 0.000 2.840 132 L HA 0.225 4.566 4.340 0.002 0.000 0.249 132 L C 2.123 179.012 176.870 0.031 0.000 1.119 132 L CA 0.108 54.984 54.840 0.060 0.000 0.930 132 L CB 0.094 42.198 42.059 0.074 0.000 1.295 132 L HN -0.105 nan 8.230 nan 0.000 0.534 133 L N -0.879 120.377 121.223 0.055 0.000 2.575 133 L HA 0.127 4.468 4.340 0.002 0.000 0.228 133 L C 1.825 178.778 176.870 0.138 0.000 1.075 133 L CA 0.165 55.038 54.840 0.056 0.000 0.867 133 L CB 0.041 42.125 42.059 0.042 0.000 1.097 133 L HN 0.190 nan 8.230 nan 0.000 0.485 134 N N 0.845 119.629 118.700 0.139 0.000 2.084 134 N HA -0.121 4.620 4.740 0.002 0.000 0.190 134 N C -0.908 174.726 175.510 0.207 0.000 1.030 134 N CA 1.574 54.742 53.050 0.196 0.000 0.849 134 N CB -0.578 38.013 38.487 0.173 0.000 1.012 134 N HN 0.090 nan 8.380 nan 0.000 0.423 135 P HA -0.135 nan 4.420 nan 0.000 0.216 135 P C 1.287 178.677 177.300 0.151 0.000 1.150 135 P CA 1.186 64.351 63.100 0.108 0.000 0.843 135 P CB -0.033 31.707 31.700 0.067 0.000 0.787 136 V N -0.138 119.888 119.914 0.187 0.000 2.488 136 V HA -0.121 4.000 4.120 0.002 0.000 0.246 136 V C 2.605 178.994 176.094 0.492 0.000 1.046 136 V CA 2.028 64.486 62.300 0.263 0.000 1.053 136 V CB -1.583 30.316 31.823 0.127 0.000 0.679 136 V HN 0.127 nan 8.190 nan 0.000 0.458 137 S N 0.244 116.252 115.700 0.513 0.000 2.368 137 S HA -0.241 4.230 4.470 0.002 0.000 0.224 137 S C 2.015 176.821 174.600 0.343 0.000 1.029 137 S CA 1.586 60.085 58.200 0.498 0.000 0.988 137 S CB -0.307 63.153 63.200 0.434 0.000 0.838 137 S HN 0.707 nan 8.310 nan 0.000 0.462 138 Q N 1.100 121.050 119.800 0.251 0.000 2.046 138 Q HA -0.109 4.232 4.340 0.002 0.000 0.200 138 Q C 1.586 177.631 176.000 0.075 0.000 0.975 138 Q CA 1.323 57.138 55.803 0.020 0.000 0.836 138 Q CB -0.355 28.334 28.738 -0.081 0.000 0.896 138 Q HN 0.346 nan 8.270 nan 0.000 0.428 139 D N 0.232 120.710 120.400 0.129 0.000 2.228 139 D HA -0.175 4.466 4.640 0.002 0.000 0.203 139 D C 1.296 177.677 176.300 0.135 0.000 0.988 139 D CA 0.919 54.989 54.000 0.117 0.000 0.864 139 D CB -0.151 40.730 40.800 0.136 0.000 0.928 139 D HN 0.161 nan 8.370 nan 0.000 0.469 140 F N 0.444 120.439 119.950 0.075 0.000 2.128 140 F HA -0.151 4.377 4.527 0.002 0.000 0.295 140 F C 2.179 177.916 175.800 -0.104 0.000 1.100 140 F CA 0.726 58.734 58.000 0.013 0.000 1.260 140 F CB -0.233 38.775 39.000 0.013 0.000 1.009 140 F HN -0.205 nan 8.300 nan 0.000 0.476 141 V N 0.493 120.480 119.914 0.121 0.000 2.250 141 V HA -0.422 3.699 4.120 0.002 0.000 0.253 141 V C 2.679 178.719 176.094 -0.090 0.000 1.065 141 V CA 2.431 64.758 62.300 0.045 0.000 1.039 141 V CB -1.585 30.217 31.823 -0.034 0.000 0.647 141 V HN 0.606 nan 8.190 nan 0.000 0.446 142 S N 0.042 115.726 115.700 -0.026 0.000 2.371 142 S HA -0.154 4.317 4.470 0.002 0.000 0.224 142 S C 2.047 176.618 174.600 -0.048 0.000 1.029 142 S CA 1.671 59.902 58.200 0.052 0.000 0.978 142 S CB -0.656 62.566 63.200 0.037 0.000 0.833 142 S HN 0.534 nan 8.310 nan 0.000 0.466 143 L N 0.488 121.613 121.223 -0.163 0.000 2.127 143 L HA 0.028 4.369 4.340 0.002 0.000 0.211 143 L C 2.366 178.992 176.870 -0.408 0.000 1.089 143 L CA 1.334 56.014 54.840 -0.266 0.000 0.757 143 L CB -0.263 41.604 42.059 -0.320 0.000 0.899 143 L HN 0.382 nan 8.230 nan 0.000 0.434 144 L N -1.386 119.529 121.223 -0.512 0.000 2.240 144 L HA -0.148 4.193 4.340 0.002 0.000 0.211 144 L C 2.523 179.213 176.870 -0.299 0.000 1.106 144 L CA 0.368 54.821 54.840 -0.646 0.000 0.793 144 L CB -0.679 40.749 42.059 -1.053 0.000 0.927 144 L HN 0.411 nan 8.230 nan 0.000 0.446 145 H N 0.132 119.173 119.070 -0.049 0.000 2.268 145 H HA -0.165 4.392 4.556 0.002 0.000 0.304 145 H C 2.065 177.341 175.328 -0.086 0.000 1.064 145 H CA 1.288 57.328 56.048 -0.014 0.000 1.316 145 H CB -0.127 29.614 29.762 -0.034 0.000 1.386 145 H HN 0.103 nan 8.280 nan 0.000 0.496 146 K N 0.567 120.984 120.400 0.028 0.000 2.189 146 K HA -0.248 4.073 4.320 0.002 0.000 0.207 146 K C 2.322 178.859 176.600 -0.104 0.000 1.046 146 K CA 1.574 57.833 56.287 -0.046 0.000 0.928 146 K CB 0.170 32.630 32.500 -0.067 0.000 0.720 146 K HN -0.051 nan 8.250 nan 0.000 0.458 147 R N 1.150 121.524 120.500 -0.209 0.000 2.075 147 R HA -0.019 4.322 4.340 0.002 0.000 0.226 147 R C 2.144 178.302 176.300 -0.238 0.000 1.114 147 R CA 1.455 57.341 56.100 -0.357 0.000 0.972 147 R CB -0.379 29.471 30.300 -0.751 0.000 0.869 147 R HN 0.478 nan 8.270 nan 0.000 0.437 148 I N -1.211 119.283 120.570 -0.126 0.000 2.676 148 I HA -0.087 4.084 4.170 0.002 0.000 0.259 148 I C 1.044 177.193 176.117 0.053 0.000 1.194 148 I CA 1.157 62.482 61.300 0.040 0.000 1.473 148 I CB -0.078 38.002 38.000 0.134 0.000 1.096 148 I HN -0.093 nan 8.210 nan 0.000 0.443 149 K N 1.914 122.326 120.400 0.020 0.000 2.062 149 K HA -0.143 4.178 4.320 0.002 0.000 0.205 149 K C 2.074 178.684 176.600 0.016 0.000 1.051 149 K CA 1.935 58.233 56.287 0.017 0.000 0.941 149 K CB -0.679 31.820 32.500 -0.002 0.000 0.719 149 K HN 0.717 nan 8.250 nan 0.000 0.440 150 Q N 0.328 120.130 119.800 0.004 0.000 2.444 150 Q HA 0.023 4.364 4.340 0.002 0.000 0.206 150 Q C 1.304 177.327 176.000 0.039 0.000 0.948 150 Q CA 0.526 56.337 55.803 0.012 0.000 0.946 150 Q CB 0.289 29.026 28.738 -0.003 0.000 1.027 150 Q HN 0.037 nan 8.270 nan 0.000 0.513 151 Q N 0.383 120.221 119.800 0.062 0.000 2.178 151 Q HA 0.272 4.613 4.340 0.002 0.000 0.195 151 Q C 1.125 177.171 176.000 0.077 0.000 0.960 151 Q CA 1.597 57.460 55.803 0.100 0.000 0.843 151 Q CB 0.656 29.497 28.738 0.173 0.000 0.927 151 Q HN 0.480 nan 8.270 nan 0.000 0.487 152 G N -0.394 108.448 108.800 0.070 0.000 2.061 152 G HA2 -0.129 3.832 3.960 0.002 0.000 0.059 152 G HA3 -0.129 3.832 3.960 0.002 0.000 0.059 152 G C -0.965 173.971 174.900 0.060 0.000 1.013 152 G CA -0.164 44.970 45.100 0.055 0.000 1.185 152 G HN 0.070 nan 8.290 nan 0.000 0.410 153 S N 2.150 117.886 115.700 0.059 0.000 4.120 153 S HA 0.441 4.912 4.470 0.002 0.000 0.215 153 S C 1.195 175.843 174.600 0.080 0.000 1.347 153 S CA 1.024 59.260 58.200 0.059 0.000 0.889 153 S CB -0.081 63.147 63.200 0.047 0.000 1.585 153 S HN 2.263 nan 8.310 nan 0.000 0.447 154 G N 2.558 111.413 108.800 0.091 0.000 2.357 154 G HA2 -0.271 3.690 3.960 0.002 0.000 0.282 154 G HA3 -0.271 3.690 3.960 0.002 0.000 0.282 154 G C -0.201 174.793 174.900 0.156 0.000 0.910 154 G CA 0.412 45.585 45.100 0.122 0.000 1.267 154 G HN 0.580 nan 8.290 nan 0.000 0.476 155 K N -1.265 119.242 120.400 0.178 0.000 2.578 155 K HA 0.530 4.851 4.320 0.002 0.000 0.269 155 K C -1.577 175.198 176.600 0.292 0.000 0.941 155 K CA -0.935 55.478 56.287 0.210 0.000 0.847 155 K CB 1.563 34.146 32.500 0.138 0.000 1.397 155 K HN 0.134 nan 8.250 nan 0.000 0.422 156 F N 2.581 122.609 119.950 0.130 0.000 2.518 156 F HA 0.566 5.094 4.527 0.002 0.000 0.323 156 F C -1.445 174.435 175.800 0.132 0.000 1.129 156 F CA -0.961 57.112 58.000 0.121 0.000 0.920 156 F CB 1.514 40.576 39.000 0.103 0.000 1.160 156 F HN 0.131 nan 8.300 nan 0.000 0.440 157 V N 6.862 126.470 119.914 -0.509 0.000 2.407 157 V HA 0.984 5.105 4.120 0.002 0.000 0.291 157 V C -0.586 175.052 176.094 -0.760 0.000 1.018 157 V CA 0.423 62.452 62.300 -0.452 0.000 0.842 157 V CB 0.702 32.417 31.823 -0.181 0.000 0.996 157 V HN 1.087 nan 8.190 nan 0.000 0.426 158 G N 4.158 112.578 108.800 -0.635 0.000 2.548 158 G HA2 0.445 4.406 3.960 0.002 0.000 0.301 158 G HA3 0.445 4.406 3.960 0.002 0.000 0.301 158 G C -1.927 172.746 174.900 -0.378 0.000 1.349 158 G CA -0.429 44.386 45.100 -0.475 0.000 0.792 158 G HN 0.721 nan 8.290 nan 0.000 0.481 159 D N 0.299 120.431 120.400 -0.447 0.000 2.472 159 D HA 0.278 4.919 4.640 0.002 0.000 0.234 159 D C 1.693 177.855 176.300 -0.229 0.000 1.088 159 D CA -0.686 52.989 54.000 -0.542 0.000 0.882 159 D CB 0.461 40.778 40.800 -0.805 0.000 1.037 159 D HN 0.463 nan 8.370 nan 0.000 0.520 160 I N 0.789 121.307 120.570 -0.087 0.000 3.550 160 I HA 0.010 4.181 4.170 0.002 0.000 0.295 160 I C 1.730 177.781 176.117 -0.110 0.000 1.291 160 I CA -0.014 61.321 61.300 0.058 0.000 1.298 160 I CB -0.049 38.127 38.000 0.293 0.000 1.026 160 I HN 0.273 nan 8.210 nan 0.000 0.491 161 K N 1.958 122.178 120.400 -0.300 0.000 2.044 161 K HA -0.252 4.069 4.320 0.002 0.000 0.224 161 K C 1.825 177.973 176.600 -0.753 0.000 1.056 161 K CA 2.624 58.560 56.287 -0.585 0.000 0.962 161 K CB -0.081 32.074 32.500 -0.576 0.000 0.730 161 K HN 0.475 nan 8.250 nan 0.000 0.453 162 E N 0.348 120.295 120.200 -0.422 0.000 2.268 162 E HA -0.141 4.210 4.350 0.002 0.000 0.195 162 E C 1.641 178.092 176.600 -0.248 0.000 0.995 162 E CA 0.865 57.114 56.400 -0.253 0.000 0.836 162 E CB -0.062 29.582 29.700 -0.094 0.000 0.763 162 E HN 0.437 nan 8.360 nan 0.000 0.491 163 D N 0.743 121.112 120.400 -0.052 0.000 2.120 163 D HA -0.032 4.609 4.640 0.002 0.000 0.202 163 D C 2.290 178.798 176.300 0.347 0.000 0.972 163 D CA 0.334 54.463 54.000 0.215 0.000 0.837 163 D CB -0.175 40.757 40.800 0.219 0.000 0.989 163 D HN 0.140 nan 8.370 nan 0.000 0.469 164 L N 0.382 121.710 121.223 0.176 0.000 1.997 164 L HA -0.236 4.105 4.340 0.002 0.000 0.216 164 L C 2.534 179.499 176.870 0.158 0.000 1.074 164 L CA 1.098 55.978 54.840 0.067 0.000 0.763 164 L CB -0.577 41.358 42.059 -0.206 0.000 0.890 164 L HN -0.036 nan 8.230 nan 0.000 0.434 165 F N 0.160 120.126 119.950 0.027 0.000 2.043 165 F HA -0.296 4.232 4.527 0.002 0.000 0.297 165 F C 2.604 178.474 175.800 0.117 0.000 1.118 165 F CA 1.708 59.700 58.000 -0.013 0.000 1.202 165 F CB -1.417 37.485 39.000 -0.164 0.000 0.965 165 F HN 0.163 nan 8.300 nan 0.000 0.482 166 H N -1.902 117.400 119.070 0.387 0.000 2.289 166 H HA -0.267 4.290 4.556 0.002 0.000 0.296 166 H C 2.115 177.633 175.328 0.316 0.000 1.091 166 H CA 1.554 57.800 56.048 0.332 0.000 1.274 166 H CB -0.681 29.251 29.762 0.284 0.000 1.364 166 H HN 0.202 nan 8.280 nan 0.000 0.490 167 F N 1.650 121.820 119.950 0.367 0.000 2.085 167 F HA -0.344 4.184 4.527 0.002 0.000 0.299 167 F C 2.449 178.345 175.800 0.160 0.000 1.096 167 F CA 1.405 59.560 58.000 0.257 0.000 1.227 167 F CB -0.691 38.395 39.000 0.143 0.000 0.983 167 F HN 0.147 nan 8.300 nan 0.000 0.482 168 A N 0.143 122.979 122.820 0.027 0.000 1.845 168 A HA -0.223 4.098 4.320 0.002 0.000 0.215 168 A C 2.172 179.756 177.584 -0.001 0.000 1.195 168 A CA 1.664 53.656 52.037 -0.075 0.000 0.616 168 A CB -1.727 17.354 19.000 0.135 0.000 0.832 168 A HN 0.506 nan 8.150 nan 0.000 0.443 169 F N 0.892 120.842 119.950 -0.001 0.000 2.216 169 F HA -0.109 4.419 4.527 0.002 0.000 0.300 169 F C 2.265 178.015 175.800 -0.083 0.000 1.085 169 F CA 1.717 59.712 58.000 -0.009 0.000 1.326 169 F CB -0.182 38.865 39.000 0.078 0.000 1.027 169 F HN 0.261 nan 8.300 nan 0.000 0.497 170 E N -0.046 120.085 120.200 -0.116 0.000 2.017 170 E HA -0.166 4.185 4.350 0.002 0.000 0.193 170 E C 2.455 178.871 176.600 -0.306 0.000 0.997 170 E CA 1.456 57.714 56.400 -0.237 0.000 0.804 170 E CB -0.660 28.994 29.700 -0.075 0.000 0.757 170 E HN 0.304 nan 8.360 nan 0.000 0.448 171 S N 1.058 116.542 115.700 -0.359 0.000 2.372 171 S HA -0.222 4.249 4.470 0.002 0.000 0.227 171 S C 2.005 176.410 174.600 -0.325 0.000 1.044 171 S CA 1.443 59.413 58.200 -0.383 0.000 1.050 171 S CB -0.288 62.577 63.200 -0.558 0.000 0.901 171 S HN 0.215 nan 8.310 nan 0.000 0.447 172 I N 1.675 122.068 120.570 -0.295 0.000 2.406 172 I HA -0.121 4.050 4.170 0.002 0.000 0.249 172 I C 2.351 178.254 176.117 -0.358 0.000 1.122 172 I CA 1.667 62.799 61.300 -0.281 0.000 1.431 172 I CB -0.870 37.048 38.000 -0.137 0.000 1.087 172 I HN 0.398 nan 8.210 nan 0.000 0.424 173 T N -1.430 112.853 114.554 -0.451 0.000 2.746 173 T HA -0.189 4.162 4.350 0.002 0.000 0.267 173 T C 1.980 176.488 174.700 -0.320 0.000 1.039 173 T CA 1.724 63.550 62.100 -0.456 0.000 1.142 173 T CB -0.936 67.501 68.868 -0.718 0.000 0.866 173 T HN 0.465 nan 8.240 nan 0.000 0.444 174 N N 0.757 119.287 118.700 -0.283 0.000 2.106 174 N HA -0.081 4.660 4.740 0.002 0.000 0.188 174 N C 1.861 177.279 175.510 -0.153 0.000 1.029 174 N CA 1.192 54.138 53.050 -0.174 0.000 0.848 174 N CB -0.114 38.293 38.487 -0.133 0.000 1.007 174 N HN 0.258 nan 8.380 nan 0.000 0.423 175 V N 1.070 120.836 119.914 -0.246 0.000 2.809 175 V HA -0.153 3.968 4.120 0.002 0.000 0.256 175 V C 2.143 178.054 176.094 -0.306 0.000 1.080 175 V CA 1.000 63.119 62.300 -0.302 0.000 1.102 175 V CB -0.189 31.271 31.823 -0.605 0.000 0.705 175 V HN 0.331 nan 8.190 nan 0.000 0.475 176 M N -0.469 118.901 119.600 -0.384 0.000 2.224 176 M HA 0.143 4.624 4.480 0.002 0.000 0.253 176 M C 1.392 177.323 176.300 -0.616 0.000 1.115 176 M CA 2.012 56.970 55.300 -0.570 0.000 1.168 176 M CB -0.304 31.823 32.600 -0.788 0.000 1.288 176 M HN 0.228 nan 8.290 nan 0.000 0.446 177 F N 0.317 120.055 119.950 -0.353 0.000 2.727 177 F HA 0.446 4.974 4.527 0.002 0.000 0.302 177 F C 1.368 177.053 175.800 -0.191 0.000 1.097 177 F CA 0.153 57.868 58.000 -0.474 0.000 1.330 177 F CB -0.583 37.637 39.000 -1.300 0.000 1.084 177 F HN 0.405 nan 8.300 nan 0.000 0.578 178 G N 1.596 110.441 108.800 0.074 0.000 2.314 178 G HA2 -0.284 3.677 3.960 0.002 0.000 0.292 178 G HA3 -0.284 3.677 3.960 0.002 0.000 0.292 178 G C -0.106 174.850 174.900 0.093 0.000 1.059 178 G CA 0.652 45.856 45.100 0.173 0.000 0.982 178 G HN 0.476 nan 8.290 nan 0.000 0.505 179 E N -0.990 119.243 120.200 0.055 0.000 2.400 179 E HA 0.439 4.790 4.350 0.002 0.000 0.285 179 E C 0.347 176.954 176.600 0.013 0.000 1.005 179 E CA -1.126 55.323 56.400 0.081 0.000 0.816 179 E CB 0.989 30.852 29.700 0.272 0.000 1.220 179 E HN 0.187 nan 8.360 nan 0.000 0.426 180 R N 2.672 123.172 120.500 0.000 0.000 2.652 180 R HA 0.368 4.709 4.340 0.002 0.000 0.271 180 R C 0.609 176.890 176.300 -0.031 0.000 1.129 180 R CA -0.195 55.883 56.100 -0.036 0.000 1.200 180 R CB 0.272 30.561 30.300 -0.020 0.000 1.146 180 R HN 0.636 nan 8.270 nan 0.000 0.581 181 L N -0.625 120.561 121.223 -0.062 0.000 3.360 181 L HA 0.180 4.521 4.340 0.002 0.000 0.303 181 L C 0.854 177.715 176.870 -0.014 0.000 1.218 181 L CA 0.560 55.375 54.840 -0.043 0.000 1.059 181 L CB 0.725 42.705 42.059 -0.131 0.000 1.468 181 L HN 1.022 nan 8.230 nan 0.000 0.614 182 G N 0.292 109.080 108.800 -0.020 0.000 2.162 182 G HA2 -0.330 3.631 3.960 0.002 0.000 0.260 182 G HA3 -0.330 3.631 3.960 0.002 0.000 0.260 182 G C 0.933 175.810 174.900 -0.038 0.000 0.976 182 G CA 0.509 45.600 45.100 -0.016 0.000 0.655 182 G HN 0.119 nan 8.290 nan 0.000 0.533 183 M N -0.367 119.206 119.600 -0.044 0.000 2.426 183 M HA 0.059 4.540 4.480 0.002 0.000 0.261 183 M C 2.141 178.353 176.300 -0.146 0.000 1.068 183 M CA 1.088 56.304 55.300 -0.139 0.000 1.066 183 M CB -0.677 31.927 32.600 0.007 0.000 1.399 183 M HN 0.423 nan 8.290 nan 0.000 0.449 184 L N -0.436 120.783 121.223 -0.006 0.000 2.653 184 L HA 0.100 4.441 4.340 0.002 0.000 0.232 184 L C 0.430 177.297 176.870 -0.004 0.000 1.169 184 L CA -0.017 54.854 54.840 0.052 0.000 0.951 184 L CB -0.027 42.109 42.059 0.130 0.000 1.181 184 L HN 0.287 nan 8.230 nan 0.000 0.460 185 E N -0.621 119.555 120.200 -0.041 0.000 2.396 185 E HA 0.124 4.475 4.350 0.002 0.000 0.251 185 E C 0.327 176.900 176.600 -0.045 0.000 0.949 185 E CA -0.598 55.779 56.400 -0.038 0.000 0.834 185 E CB 1.465 31.148 29.700 -0.027 0.000 1.309 185 E HN -0.012 nan 8.360 nan 0.000 0.405 186 E N 0.531 120.712 120.200 -0.032 0.000 2.016 186 E HA -0.066 4.285 4.350 0.002 0.000 0.190 186 E C -0.057 176.533 176.600 -0.016 0.000 0.985 186 E CA 0.947 57.334 56.400 -0.022 0.000 0.802 186 E CB 0.038 29.728 29.700 -0.018 0.000 0.762 186 E HN 0.330 nan 8.360 nan 0.000 0.448 187 T N 3.224 117.770 114.554 -0.014 0.000 2.751 187 T HA 0.181 4.532 4.350 0.002 0.000 0.290 187 T C -0.147 174.544 174.700 -0.014 0.000 0.919 187 T CA -0.119 61.976 62.100 -0.007 0.000 1.136 187 T CB 0.709 69.575 68.868 -0.004 0.000 0.875 187 T HN 0.164 nan 8.240 nan 0.000 0.532 188 V N 2.643 122.551 119.914 -0.010 0.000 2.398 188 V HA 0.469 4.590 4.120 0.002 0.000 0.286 188 V C 0.235 176.343 176.094 0.023 0.000 1.026 188 V CA -1.567 60.723 62.300 -0.017 0.000 0.868 188 V CB 0.921 32.713 31.823 -0.052 0.000 0.982 188 V HN 0.906 nan 8.190 nan 0.000 0.443 189 N N 5.515 124.240 118.700 0.042 0.000 2.434 189 N HA 0.209 4.950 4.740 0.002 0.000 0.268 189 N C -1.818 173.748 175.510 0.092 0.000 1.256 189 N CA -1.043 52.050 53.050 0.072 0.000 0.914 189 N CB 0.898 39.448 38.487 0.105 0.000 1.088 189 N HN 0.604 nan 8.380 nan 0.000 0.478 190 P HA -0.047 nan 4.420 nan 0.000 0.249 190 P C 0.314 177.659 177.300 0.075 0.000 1.241 190 P CA 0.656 63.797 63.100 0.069 0.000 0.781 190 P CB 0.369 32.095 31.700 0.044 0.000 1.088 191 E N -0.174 120.087 120.200 0.101 0.000 2.340 191 E HA 0.104 4.455 4.350 0.002 0.000 0.194 191 E C 1.702 178.423 176.600 0.202 0.000 0.996 191 E CA 0.272 56.735 56.400 0.105 0.000 0.869 191 E CB 0.133 29.868 29.700 0.058 0.000 0.835 191 E HN 0.167 nan 8.360 nan 0.000 0.493 192 A N 0.195 123.165 122.820 0.251 0.000 2.115 192 A HA -0.020 4.301 4.320 0.002 0.000 0.211 192 A C 1.873 179.523 177.584 0.108 0.000 1.169 192 A CA 0.269 52.474 52.037 0.281 0.000 0.787 192 A CB 0.119 19.394 19.000 0.458 0.000 0.858 192 A HN 0.075 nan 8.150 nan 0.000 0.474 193 Q N 0.619 120.496 119.800 0.128 0.000 2.096 193 Q HA -0.019 4.322 4.340 0.002 0.000 0.197 193 Q C 1.939 177.944 176.000 0.008 0.000 0.964 193 Q CA 1.871 57.729 55.803 0.093 0.000 0.838 193 Q CB -0.285 28.534 28.738 0.135 0.000 0.906 193 Q HN 0.522 nan 8.270 nan 0.000 0.444 194 K N -0.724 119.693 120.400 0.028 0.000 2.127 194 K HA -0.212 4.109 4.320 0.002 0.000 0.208 194 K C 1.859 178.433 176.600 -0.043 0.000 1.047 194 K CA 1.575 57.858 56.287 -0.006 0.000 0.927 194 K CB -0.308 32.205 32.500 0.022 0.000 0.716 194 K HN 0.262 nan 8.250 nan 0.000 0.450 195 F N 1.372 121.209 119.950 -0.189 0.000 2.037 195 F HA -0.132 4.396 4.527 0.002 0.000 0.291 195 F C 2.002 177.565 175.800 -0.396 0.000 1.137 195 F CA 1.327 59.157 58.000 -0.283 0.000 1.178 195 F CB -0.458 38.352 39.000 -0.318 0.000 0.995 195 F HN -0.096 nan 8.300 nan 0.000 0.472 196 I N 0.705 121.095 120.570 -0.301 0.000 2.161 196 I HA -0.442 3.729 4.170 0.002 0.000 0.246 196 I C 1.881 177.694 176.117 -0.506 0.000 1.048 196 I CA 1.964 62.995 61.300 -0.447 0.000 1.314 196 I CB -0.674 37.140 38.000 -0.310 0.000 1.014 196 I HN 0.290 nan 8.210 nan 0.000 0.418 197 D N 0.454 120.634 120.400 -0.366 0.000 2.194 197 D HA -0.028 4.613 4.640 0.002 0.000 0.204 197 D C 2.206 178.314 176.300 -0.320 0.000 0.964 197 D CA 1.293 55.104 54.000 -0.316 0.000 0.846 197 D CB -0.098 40.586 40.800 -0.194 0.000 0.962 197 D HN 0.392 nan 8.370 nan 0.000 0.490 198 A N 0.903 123.485 122.820 -0.396 0.000 1.845 198 A HA -0.139 4.182 4.320 0.002 0.000 0.215 198 A C 2.506 179.698 177.584 -0.653 0.000 1.195 198 A CA 1.302 53.057 52.037 -0.470 0.000 0.616 198 A CB -0.954 17.751 19.000 -0.492 0.000 0.832 198 A HN 0.087 nan 8.150 nan 0.000 0.443 199 V N -1.241 118.163 119.914 -0.850 0.000 2.242 199 V HA -0.384 3.737 4.120 0.002 0.000 0.257 199 V C 2.399 177.953 176.094 -0.901 0.000 1.073 199 V CA 2.721 64.429 62.300 -0.987 0.000 1.058 199 V CB -1.104 30.158 31.823 -0.935 0.000 0.664 199 V HN 0.742 nan 8.190 nan 0.000 0.451 200 Y N -0.052 119.819 120.300 -0.715 0.000 2.574 200 Y HA -0.097 4.454 4.550 0.002 0.000 0.294 200 Y C 2.343 178.095 175.900 -0.247 0.000 1.142 200 Y CA 1.501 59.327 58.100 -0.457 0.000 1.314 200 Y CB -0.003 38.219 38.460 -0.397 0.000 0.991 200 Y HN 0.080 nan 8.280 nan 0.000 0.555 201 K N -0.498 119.734 120.400 -0.281 0.000 2.214 201 K HA -0.028 4.293 4.320 0.002 0.000 0.201 201 K C 2.085 178.561 176.600 -0.207 0.000 1.049 201 K CA 0.523 56.712 56.287 -0.164 0.000 0.978 201 K CB -0.255 32.150 32.500 -0.158 0.000 0.842 201 K HN 0.310 nan 8.250 nan 0.000 0.474 202 M N 0.539 119.859 119.600 -0.466 0.000 2.103 202 M HA -0.225 4.256 4.480 0.002 0.000 0.255 202 M C 1.708 178.005 176.300 -0.005 0.000 1.074 202 M CA 1.697 56.656 55.300 -0.568 0.000 1.090 202 M CB -0.673 31.197 32.600 -1.217 0.000 1.325 202 M HN 0.084 nan 8.290 nan 0.000 0.403 203 F N -1.081 118.731 119.950 -0.229 0.000 2.009 203 F HA -0.304 4.224 4.527 0.002 0.000 0.293 203 F C 2.507 178.259 175.800 -0.079 0.000 1.156 203 F CA 1.238 59.175 58.000 -0.104 0.000 1.168 203 F CB -1.009 37.801 39.000 -0.317 0.000 0.981 203 F HN 0.267 nan 8.300 nan 0.000 0.475 204 H N 0.400 119.372 119.070 -0.163 0.000 2.337 204 H HA -0.259 4.298 4.556 0.002 0.000 0.288 204 H C 1.972 177.341 175.328 0.069 0.000 1.117 204 H CA 2.445 58.421 56.048 -0.121 0.000 1.205 204 H CB -0.585 29.093 29.762 -0.140 0.000 1.353 204 H HN 0.215 nan 8.280 nan 0.000 0.480 205 T N -2.723 111.983 114.554 0.255 0.000 3.439 205 T HA 0.112 4.463 4.350 0.002 0.000 0.251 205 T C 1.531 176.413 174.700 0.303 0.000 1.108 205 T CA 0.577 62.851 62.100 0.289 0.000 0.982 205 T CB -0.027 69.032 68.868 0.319 0.000 1.024 205 T HN 0.202 nan 8.240 nan 0.000 0.573 206 S N 0.233 116.098 115.700 0.275 0.000 2.517 206 S HA 0.106 4.577 4.470 0.002 0.000 0.228 206 S C 2.116 176.819 174.600 0.173 0.000 1.060 206 S CA 0.438 58.779 58.200 0.235 0.000 0.937 206 S CB -0.189 63.262 63.200 0.418 0.000 0.840 206 S HN 0.389 nan 8.310 nan 0.000 0.546 207 V N 3.323 123.337 119.914 0.166 0.000 2.277 207 V HA -0.210 3.911 4.120 0.002 0.000 0.255 207 V C -0.974 175.281 176.094 0.267 0.000 1.074 207 V CA 2.110 64.567 62.300 0.262 0.000 1.058 207 V CB -2.070 29.892 31.823 0.232 0.000 0.656 207 V HN 0.361 nan 8.190 nan 0.000 0.449 208 P HA 0.005 nan 4.420 nan 0.000 0.233 208 P C 1.069 178.528 177.300 0.266 0.000 1.167 208 P CA 1.023 64.258 63.100 0.225 0.000 0.770 208 P CB -0.037 31.754 31.700 0.152 0.000 0.837 209 L N -2.255 119.096 121.223 0.214 0.000 2.872 209 L HA 0.165 4.506 4.340 0.002 0.000 0.245 209 L C 1.193 178.271 176.870 0.346 0.000 1.211 209 L CA -0.222 54.757 54.840 0.232 0.000 1.013 209 L CB -0.112 41.840 42.059 -0.178 0.000 1.326 209 L HN -0.062 nan 8.230 nan 0.000 0.525 210 L N 0.064 121.476 121.223 0.315 0.000 2.145 210 L HA 0.123 4.464 4.340 0.002 0.000 0.201 210 L C 1.504 178.532 176.870 0.264 0.000 1.075 210 L CA 1.487 56.486 54.840 0.265 0.000 0.773 210 L CB -0.255 41.964 42.059 0.267 0.000 0.936 210 L HN 0.297 nan 8.230 nan 0.000 0.451 211 N N -0.028 118.860 118.700 0.314 0.000 2.380 211 N HA 0.189 4.930 4.740 0.002 0.000 0.255 211 N C -0.759 174.924 175.510 0.288 0.000 1.158 211 N CA 0.206 53.380 53.050 0.206 0.000 0.878 211 N CB 1.186 39.750 38.487 0.128 0.000 1.138 211 N HN 0.113 nan 8.380 nan 0.000 0.509 212 V N -1.965 118.133 119.914 0.307 0.000 2.711 212 V HA 0.564 4.685 4.120 0.002 0.000 0.304 212 V C -2.885 173.220 176.094 0.018 0.000 1.097 212 V CA -2.205 60.260 62.300 0.276 0.000 0.906 212 V CB 2.768 34.837 31.823 0.411 0.000 1.015 212 V HN -0.141 nan 8.190 nan 0.000 0.427 213 P HA 0.257 nan 4.420 nan 0.000 0.267 213 P C -2.318 174.606 177.300 -0.627 0.000 1.205 213 P CA -1.077 61.898 63.100 -0.207 0.000 0.765 213 P CB 0.747 32.409 31.700 -0.062 0.000 0.828 214 P HA -0.208 nan 4.420 nan 0.000 0.216 214 P C 1.268 178.077 177.300 -0.819 0.000 1.154 214 P CA 1.729 64.148 63.100 -1.135 0.000 0.865 214 P CB -0.094 31.354 31.700 -0.420 0.000 0.789 215 E N -0.884 119.050 120.200 -0.444 0.000 2.478 215 E HA -0.037 4.314 4.350 0.002 0.000 0.198 215 E C 1.680 178.110 176.600 -0.284 0.000 1.046 215 E CA 0.628 56.848 56.400 -0.301 0.000 0.870 215 E CB -0.674 28.927 29.700 -0.165 0.000 0.818 215 E HN 0.370 nan 8.360 nan 0.000 0.527 216 L N -0.171 120.856 121.223 -0.327 0.000 2.616 216 L HA 0.094 4.435 4.340 0.002 0.000 0.229 216 L C 1.482 178.255 176.870 -0.160 0.000 1.110 216 L CA -0.046 54.675 54.840 -0.197 0.000 0.884 216 L CB -0.167 41.897 42.059 0.008 0.000 1.115 216 L HN -0.044 nan 8.230 nan 0.000 0.481 217 Y N 0.472 120.618 120.300 -0.256 0.000 2.241 217 Y HA -0.282 4.269 4.550 0.002 0.000 0.286 217 Y C 2.631 178.420 175.900 -0.185 0.000 1.166 217 Y CA 1.030 58.959 58.100 -0.286 0.000 1.203 217 Y CB -0.641 37.345 38.460 -0.789 0.000 0.977 217 Y HN 0.070 nan 8.280 nan 0.000 0.529 218 R N -0.214 120.238 120.500 -0.080 0.000 2.152 218 R HA -0.100 4.241 4.340 0.002 0.000 0.232 218 R C 1.740 177.997 176.300 -0.072 0.000 1.117 218 R CA 1.183 57.266 56.100 -0.029 0.000 0.981 218 R CB -0.424 29.832 30.300 -0.073 0.000 0.870 218 R HN 0.373 nan 8.270 nan 0.000 0.451 219 L N -2.781 118.314 121.223 -0.213 0.000 2.433 219 L HA 0.183 4.524 4.340 0.002 0.000 0.200 219 L C 0.687 177.354 176.870 -0.339 0.000 1.059 219 L CA 0.322 54.922 54.840 -0.400 0.000 0.835 219 L CB 0.041 41.622 42.059 -0.796 0.000 1.076 219 L HN 0.005 nan 8.230 nan 0.000 0.481 220 F N -0.285 119.697 119.950 0.053 0.000 2.664 220 F HA 0.315 4.843 4.527 0.002 0.000 0.303 220 F C 0.416 176.267 175.800 0.084 0.000 1.092 220 F CA -0.194 57.841 58.000 0.058 0.000 1.305 220 F CB 0.171 39.205 39.000 0.056 0.000 1.054 220 F HN -0.164 nan 8.300 nan 0.000 0.565 221 R N -0.908 119.742 120.500 0.250 0.000 2.891 221 R HA 0.116 4.457 4.340 0.002 0.000 0.202 221 R C 0.610 177.042 176.300 0.221 0.000 1.510 221 R CA 0.148 56.379 56.100 0.217 0.000 1.294 221 R CB -0.249 30.195 30.300 0.240 0.000 1.556 221 R HN -0.037 nan 8.270 nan 0.000 0.694 222 T N -0.322 114.338 114.554 0.178 0.000 2.915 222 T HA -0.146 4.205 4.350 0.002 0.000 0.269 222 T C 1.597 176.409 174.700 0.188 0.000 1.071 222 T CA 1.047 63.263 62.100 0.194 0.000 1.132 222 T CB 0.188 69.132 68.868 0.128 0.000 0.878 222 T HN 0.323 nan 8.240 nan 0.000 0.479 223 K N 1.109 121.599 120.400 0.149 0.000 2.005 223 K HA -0.112 4.209 4.320 0.002 0.000 0.206 223 K C 2.643 179.323 176.600 0.132 0.000 1.044 223 K CA 1.676 58.034 56.287 0.119 0.000 0.942 223 K CB -0.376 32.180 32.500 0.093 0.000 0.727 223 K HN 0.409 nan 8.250 nan 0.000 0.439 224 T N -1.151 113.496 114.554 0.154 0.000 2.746 224 T HA -0.213 4.138 4.350 0.002 0.000 0.267 224 T C 1.828 176.650 174.700 0.203 0.000 1.039 224 T CA 1.012 63.212 62.100 0.167 0.000 1.142 224 T CB -0.910 68.054 68.868 0.160 0.000 0.866 224 T HN 0.555 nan 8.240 nan 0.000 0.444 225 W N 3.807 125.112 121.300 0.008 0.000 2.342 225 W HA -0.231 4.430 4.660 0.002 0.000 0.297 225 W C 2.549 179.138 176.519 0.117 0.000 1.213 225 W CA 1.678 59.018 57.345 -0.009 0.000 1.251 225 W CB -0.147 29.270 29.460 -0.073 0.000 1.136 225 W HN 0.440 nan 8.180 nan 0.000 0.526 226 R N -0.058 120.443 120.500 0.001 0.000 2.115 226 R HA -0.120 4.221 4.340 0.002 0.000 0.230 226 R C 1.473 177.721 176.300 -0.088 0.000 1.111 226 R CA 1.861 57.903 56.100 -0.097 0.000 0.976 226 R CB -0.913 29.397 30.300 0.017 0.000 0.870 226 R HN -0.049 nan 8.270 nan 0.000 0.445 227 D N -0.018 120.378 120.400 -0.006 0.000 2.249 227 D HA -0.096 4.545 4.640 0.002 0.000 0.205 227 D C 1.579 177.877 176.300 -0.004 0.000 0.962 227 D CA 1.086 55.089 54.000 0.004 0.000 0.860 227 D CB -0.043 40.793 40.800 0.059 0.000 0.955 227 D HN 0.470 nan 8.370 nan 0.000 0.505 228 H N -0.015 119.013 119.070 -0.069 0.000 2.384 228 H HA 0.064 4.621 4.556 0.002 0.000 0.300 228 H C 1.900 177.183 175.328 -0.076 0.000 1.057 228 H CA 0.922 56.964 56.048 -0.011 0.000 1.370 228 H CB -0.036 29.797 29.762 0.118 0.000 1.417 228 H HN -0.179 nan 8.280 nan 0.000 0.527 229 V N 0.906 120.728 119.914 -0.153 0.000 2.392 229 V HA -0.274 3.847 4.120 0.002 0.000 0.249 229 V C 2.598 178.588 176.094 -0.174 0.000 1.059 229 V CA 1.775 63.955 62.300 -0.201 0.000 1.051 229 V CB -1.087 30.529 31.823 -0.344 0.000 0.658 229 V HN 0.700 nan 8.190 nan 0.000 0.455 230 A N -0.551 122.169 122.820 -0.167 0.000 2.014 230 A HA 0.116 4.437 4.320 0.002 0.000 0.218 230 A C 2.288 179.760 177.584 -0.187 0.000 1.163 230 A CA 1.514 53.464 52.037 -0.145 0.000 0.652 230 A CB -0.415 18.520 19.000 -0.108 0.000 0.808 230 A HN 0.551 nan 8.150 nan 0.000 0.449 231 A N -2.013 120.643 122.820 -0.272 0.000 2.072 231 A HA 0.070 4.391 4.320 0.002 0.000 0.216 231 A C 1.826 179.094 177.584 -0.527 0.000 1.156 231 A CA 0.715 52.515 52.037 -0.395 0.000 0.701 231 A CB -0.535 18.185 19.000 -0.467 0.000 0.816 231 A HN 0.708 nan 8.150 nan 0.000 0.458 232 W N 0.278 121.221 121.300 -0.595 0.000 2.501 232 W HA -0.008 4.653 4.660 0.002 0.000 0.309 232 W C 1.813 178.103 176.519 -0.382 0.000 1.165 232 W CA 0.873 57.791 57.345 -0.711 0.000 1.381 232 W CB -0.083 28.419 29.460 -1.597 0.000 1.142 232 W HN 0.258 nan 8.180 nan 0.000 0.509 233 D N -0.171 120.174 120.400 -0.092 0.000 2.230 233 D HA -0.253 4.388 4.640 0.002 0.000 0.189 233 D C 1.923 178.277 176.300 0.090 0.000 1.006 233 D CA 2.823 56.857 54.000 0.057 0.000 0.853 233 D CB -1.079 39.707 40.800 -0.024 0.000 0.959 233 D HN 0.057 nan 8.370 nan 0.000 0.449 234 T N 1.172 115.716 114.554 -0.016 0.000 2.624 234 T HA -0.189 4.162 4.350 0.002 0.000 0.268 234 T C 2.251 176.999 174.700 0.081 0.000 1.041 234 T CA 1.122 63.221 62.100 -0.001 0.000 1.159 234 T CB -0.465 68.347 68.868 -0.094 0.000 0.863 234 T HN 0.211 nan 8.240 nan 0.000 0.434 235 I N -0.305 120.241 120.570 -0.041 0.000 2.264 235 I HA -0.168 4.003 4.170 0.002 0.000 0.248 235 I C 2.088 178.371 176.117 0.276 0.000 1.111 235 I CA 1.549 62.833 61.300 -0.026 0.000 1.382 235 I CB -0.313 37.457 38.000 -0.383 0.000 1.060 235 I HN 0.185 nan 8.210 nan 0.000 0.418 236 F N 0.834 120.868 119.950 0.140 0.000 2.187 236 F HA -0.102 4.426 4.527 0.002 0.000 0.295 236 F C 2.221 178.110 175.800 0.150 0.000 1.091 236 F CA 1.457 59.568 58.000 0.185 0.000 1.308 236 F CB -0.299 38.814 39.000 0.188 0.000 1.030 236 F HN 0.091 nan 8.300 nan 0.000 0.487 237 N N -0.302 118.560 118.700 0.271 0.000 2.300 237 N HA -0.091 4.650 4.740 0.002 0.000 0.179 237 N C 0.750 176.319 175.510 0.098 0.000 1.016 237 N CA 0.513 53.654 53.050 0.151 0.000 0.876 237 N CB 0.008 38.553 38.487 0.097 0.000 0.979 237 N HN 0.009 nan 8.380 nan 0.000 0.432 238 K N 0.575 121.065 120.400 0.149 0.000 2.596 238 K HA 0.261 4.582 4.320 0.002 0.000 0.211 238 K C 0.287 176.937 176.600 0.083 0.000 1.046 238 K CA -0.064 56.284 56.287 0.101 0.000 1.202 238 K CB 0.887 33.520 32.500 0.221 0.000 0.925 238 K HN 0.186 nan 8.250 nan 0.000 0.486 239 A N -0.016 122.869 122.820 0.108 0.000 1.977 239 A HA 0.023 4.344 4.320 0.002 0.000 0.197 239 A C 1.886 179.547 177.584 0.128 0.000 1.554 239 A CA 0.015 52.120 52.037 0.115 0.000 1.037 239 A CB 0.154 19.219 19.000 0.109 0.000 1.083 239 A HN 0.274 nan 8.150 nan 0.000 0.471 240 E N 0.172 120.427 120.200 0.091 0.000 2.204 240 E HA -0.183 4.168 4.350 0.002 0.000 0.194 240 E C 1.576 178.193 176.600 0.028 0.000 0.989 240 E CA 1.352 57.797 56.400 0.075 0.000 0.824 240 E CB 0.020 29.768 29.700 0.080 0.000 0.756 240 E HN 0.317 nan 8.360 nan 0.000 0.477 241 K N -0.701 119.681 120.400 -0.031 0.000 2.459 241 K HA -0.037 4.284 4.320 0.002 0.000 0.193 241 K C 0.248 176.697 176.600 -0.252 0.000 1.030 241 K CA 0.558 56.756 56.287 -0.147 0.000 1.026 241 K CB 0.089 32.460 32.500 -0.214 0.000 0.809 241 K HN 0.157 nan 8.250 nan 0.000 0.504 242 Y N -1.136 119.119 120.300 -0.075 0.000 2.584 242 Y HA 0.220 4.772 4.550 0.002 0.000 0.254 242 Y C 0.960 176.627 175.900 -0.388 0.000 1.177 242 Y CA 0.066 58.037 58.100 -0.215 0.000 1.216 242 Y CB 1.022 39.301 38.460 -0.302 0.000 1.172 242 Y HN -0.029 nan 8.280 nan 0.000 0.529 243 T N -2.000 112.601 114.554 0.079 0.000 2.954 243 T HA 0.042 4.393 4.350 0.002 0.000 0.252 243 T C 1.456 176.297 174.700 0.235 0.000 0.983 243 T CA 0.249 62.488 62.100 0.233 0.000 0.941 243 T CB 0.478 69.539 68.868 0.321 0.000 1.141 243 T HN 0.050 nan 8.240 nan 0.000 0.500 244 E N 1.587 121.863 120.200 0.126 0.000 2.400 244 E HA 0.160 4.511 4.350 0.002 0.000 0.195 244 E C 1.791 178.444 176.600 0.089 0.000 1.012 244 E CA 0.371 56.831 56.400 0.099 0.000 0.875 244 E CB 0.214 29.928 29.700 0.023 0.000 0.859 244 E HN 0.666 nan 8.360 nan 0.000 0.498 245 I N -3.809 116.784 120.570 0.038 0.000 3.883 245 I HA 0.189 4.360 4.170 0.002 0.000 0.326 245 I C 1.081 177.074 176.117 -0.208 0.000 1.283 245 I CA 0.292 61.534 61.300 -0.096 0.000 1.161 245 I CB -0.031 37.850 38.000 -0.198 0.000 1.012 245 I HN -0.211 nan 8.210 nan 0.000 0.421 246 F N -0.814 119.153 119.950 0.029 0.000 2.789 246 F HA 0.201 4.729 4.527 0.002 0.000 0.320 246 F C 1.820 177.735 175.800 0.192 0.000 1.079 246 F CA -0.191 57.858 58.000 0.081 0.000 1.205 246 F CB 0.096 39.118 39.000 0.037 0.000 1.046 246 F HN -0.024 nan 8.300 nan 0.000 0.586 247 Y N 0.701 121.151 120.300 0.249 0.000 2.314 247 Y HA 0.017 4.568 4.550 0.002 0.000 0.294 247 Y C 1.948 177.919 175.900 0.118 0.000 1.119 247 Y CA 1.281 59.494 58.100 0.189 0.000 1.179 247 Y CB 0.035 38.587 38.460 0.154 0.000 1.025 247 Y HN -0.158 nan 8.280 nan 0.000 0.541 248 Q N -0.020 119.959 119.800 0.299 0.000 2.365 248 Q HA -0.017 4.324 4.340 0.002 0.000 0.203 248 Q C 0.351 176.385 176.000 0.057 0.000 0.929 248 Q CA 0.929 56.830 55.803 0.164 0.000 0.948 248 Q CB 0.365 29.185 28.738 0.135 0.000 1.043 248 Q HN 0.598 nan 8.270 nan 0.000 0.505 249 D N -1.125 119.303 120.400 0.047 0.000 2.489 249 D HA -0.018 4.623 4.640 0.002 0.000 0.231 249 D C 0.953 177.296 176.300 0.072 0.000 1.114 249 D CA -0.006 53.998 54.000 0.006 0.000 0.842 249 D CB 0.397 41.128 40.800 -0.115 0.000 1.133 249 D HN 0.083 nan 8.370 nan 0.000 0.506 250 L N 0.207 121.494 121.223 0.107 0.000 2.585 250 L HA 0.406 4.747 4.340 0.002 0.000 0.226 250 L C 1.966 178.851 176.870 0.025 0.000 1.113 250 L CA 0.472 55.396 54.840 0.140 0.000 0.876 250 L CB -0.210 41.979 42.059 0.217 0.000 1.072 250 L HN -0.122 nan 8.230 nan 0.000 0.468 251 R N -0.132 120.336 120.500 -0.053 0.000 2.061 251 R HA -0.135 4.206 4.340 0.002 0.000 0.230 251 R C 2.368 178.651 176.300 -0.029 0.000 1.140 251 R CA 1.950 57.992 56.100 -0.097 0.000 0.940 251 R CB -0.057 30.199 30.300 -0.074 0.000 0.839 251 R HN 0.438 nan 8.270 nan 0.000 0.429 252 R N 0.945 121.445 120.500 -0.000 0.000 2.055 252 R HA -0.063 4.278 4.340 0.002 0.000 0.226 252 R C 1.433 177.731 176.300 -0.004 0.000 1.135 252 R CA 1.531 57.630 56.100 -0.001 0.000 0.959 252 R CB -0.439 29.863 30.300 0.003 0.000 0.854 252 R HN 0.058 nan 8.270 nan 0.000 0.431 253 K N 1.240 121.659 120.400 0.032 0.000 2.745 253 K HA 0.127 4.448 4.320 0.002 0.000 0.223 253 K C 1.084 177.708 176.600 0.040 0.000 1.057 253 K CA 0.411 56.716 56.287 0.029 0.000 1.217 253 K CB 0.714 33.298 32.500 0.141 0.000 0.993 253 K HN 0.025 nan 8.250 nan 0.000 0.478 254 T N 1.950 116.526 114.554 0.038 0.000 2.665 254 T HA -0.216 4.135 4.350 0.002 0.000 0.268 254 T C 0.374 175.116 174.700 0.070 0.000 1.035 254 T CA 1.446 63.621 62.100 0.124 0.000 1.151 254 T CB -0.531 68.374 68.868 0.063 0.000 0.862 254 T HN 0.713 nan 8.240 nan 0.000 0.438 255 E N 1.200 121.311 120.200 -0.148 0.000 2.637 255 E HA 0.028 4.379 4.350 0.002 0.000 0.231 255 E C -0.637 175.621 176.600 -0.570 0.000 1.226 255 E CA 0.322 56.566 56.400 -0.259 0.000 0.950 255 E CB -0.675 28.857 29.700 -0.281 0.000 1.049 255 E HN 0.401 nan 8.360 nan 0.000 0.494 256 F N 1.027 121.004 119.950 0.046 0.000 2.923 256 F HA 0.605 5.133 4.527 0.002 0.000 0.323 256 F C 0.325 176.094 175.800 -0.052 0.000 1.189 256 F CA -1.003 56.974 58.000 -0.038 0.000 0.930 256 F CB 1.424 40.349 39.000 -0.125 0.000 1.414 256 F HN 0.175 nan 8.300 nan 0.000 0.496 257 R N 0.129 120.741 120.500 0.186 0.000 2.762 257 R HA 0.312 4.653 4.340 0.002 0.000 0.271 257 R C -0.644 175.644 176.300 -0.020 0.000 1.038 257 R CA 0.049 56.187 56.100 0.063 0.000 0.906 257 R CB 1.471 31.819 30.300 0.081 0.000 1.259 257 R HN 0.816 nan 8.270 nan 0.000 0.457 258 N N -1.942 116.773 118.700 0.025 0.000 2.976 258 N HA -0.208 4.533 4.740 0.002 0.000 0.206 258 N C -0.805 174.761 175.510 0.094 0.000 0.910 258 N CA 1.850 54.911 53.050 0.018 0.000 1.030 258 N CB -2.113 36.353 38.487 -0.035 0.000 1.019 258 N HN 0.613 nan 8.380 nan 0.000 0.577 259 Y N -1.639 118.581 120.300 -0.134 0.000 2.602 259 Y HA 0.913 5.465 4.550 0.002 0.000 0.330 259 Y C -2.411 173.436 175.900 -0.087 0.000 1.114 259 Y CA -2.704 55.338 58.100 -0.097 0.000 1.182 259 Y CB 0.869 39.274 38.460 -0.092 0.000 1.305 259 Y HN -0.187 nan 8.280 nan 0.000 0.502 260 P HA 0.231 nan 4.420 nan 0.000 0.271 260 P C -0.468 176.452 177.300 -0.633 0.000 1.226 260 P CA 0.060 62.931 63.100 -0.382 0.000 0.765 260 P CB 0.907 32.456 31.700 -0.253 0.000 0.835 261 G N 2.727 110.836 108.800 -1.152 0.000 3.598 261 G HA2 0.236 4.197 3.960 0.002 0.000 0.320 261 G HA3 0.236 4.197 3.960 0.002 0.000 0.320 261 G C 0.805 175.496 174.900 -0.348 0.000 1.560 261 G CA -0.435 44.171 45.100 -0.824 0.000 0.904 261 G HN 0.420 nan 8.290 nan 0.000 0.489 262 I N 0.966 121.440 120.570 -0.160 0.000 2.191 262 I HA -0.343 3.828 4.170 0.002 0.000 0.248 262 I C 2.642 178.710 176.117 -0.083 0.000 1.061 262 I CA 1.300 62.546 61.300 -0.091 0.000 1.329 262 I CB -0.116 37.846 38.000 -0.063 0.000 1.024 262 I HN 0.494 nan 8.210 nan 0.000 0.423 263 L N -0.089 121.069 121.223 -0.108 0.000 2.083 263 L HA -0.246 4.095 4.340 0.002 0.000 0.209 263 L C 2.424 179.359 176.870 0.108 0.000 1.083 263 L CA 1.769 56.607 54.840 -0.003 0.000 0.752 263 L CB -0.762 41.314 42.059 0.027 0.000 0.899 263 L HN 0.205 nan 8.230 nan 0.000 0.433 264 Y N -0.287 120.020 120.300 0.013 0.000 2.060 264 Y HA -0.334 4.217 4.550 0.002 0.000 0.276 264 Y C 2.729 178.622 175.900 -0.011 0.000 1.127 264 Y CA 2.238 60.369 58.100 0.052 0.000 1.104 264 Y CB -0.875 37.649 38.460 0.106 0.000 0.983 264 Y HN 0.241 nan 8.280 nan 0.000 0.483 265 C N 0.655 120.049 119.300 0.158 0.000 2.395 265 C HA -0.242 4.219 4.460 0.002 0.000 0.287 265 C C 2.631 177.617 174.990 -0.005 0.000 1.281 265 C CA 1.400 60.451 59.018 0.055 0.000 1.818 265 C CB -1.795 25.934 27.740 -0.019 0.000 1.990 265 C HN 0.575 nan 8.230 nan 0.000 0.516 266 L N -1.212 120.006 121.223 -0.007 0.000 2.463 266 L HA 0.109 4.450 4.340 0.002 0.000 0.219 266 L C 2.167 179.030 176.870 -0.012 0.000 1.088 266 L CA 0.618 55.453 54.840 -0.009 0.000 0.849 266 L CB -0.339 41.721 42.059 0.002 0.000 1.012 266 L HN 0.305 nan 8.230 nan 0.000 0.468 267 L N -0.375 120.827 121.223 -0.035 0.000 2.446 267 L HA 0.034 4.375 4.340 0.002 0.000 0.219 267 L C 1.935 178.743 176.870 -0.104 0.000 1.116 267 L CA 0.405 55.222 54.840 -0.037 0.000 0.844 267 L CB 0.022 42.066 42.059 -0.026 0.000 0.970 267 L HN 0.155 nan 8.230 nan 0.000 0.457 268 K N -1.339 118.965 120.400 -0.160 0.000 2.391 268 K HA 0.226 4.547 4.320 0.002 0.000 0.197 268 K C 2.011 178.564 176.600 -0.078 0.000 1.087 268 K CA 0.207 56.397 56.287 -0.163 0.000 1.012 268 K CB 0.569 32.892 32.500 -0.295 0.000 0.925 268 K HN -0.030 nan 8.250 nan 0.000 0.547 269 S N 1.470 117.137 115.700 -0.054 0.000 2.345 269 S HA -0.125 4.346 4.470 0.002 0.000 0.220 269 S C 0.290 174.875 174.600 -0.025 0.000 1.031 269 S CA 1.086 59.268 58.200 -0.031 0.000 0.996 269 S CB -0.086 63.098 63.200 -0.027 0.000 0.882 269 S HN 0.365 nan 8.310 nan 0.000 0.445 270 E N -0.647 119.540 120.200 -0.021 0.000 3.170 270 E HA -0.254 4.097 4.350 0.002 0.000 0.284 270 E C 0.617 177.214 176.600 -0.006 0.000 0.967 270 E CA 0.693 57.089 56.400 -0.006 0.000 0.919 270 E CB -1.232 28.465 29.700 -0.004 0.000 1.469 270 E HN 0.430 nan 8.360 nan 0.000 0.444 271 K N -0.261 120.131 120.400 -0.013 0.000 2.442 271 K HA 0.071 4.392 4.320 0.002 0.000 0.198 271 K C 0.874 177.465 176.600 -0.014 0.000 1.042 271 K CA 0.684 56.961 56.287 -0.016 0.000 0.958 271 K CB 0.140 32.625 32.500 -0.025 0.000 0.766 271 K HN 0.236 nan 8.250 nan 0.000 0.474 272 M N 1.664 121.261 119.600 -0.006 0.000 2.326 272 M HA 0.201 4.682 4.480 0.002 0.000 0.306 272 M C -1.035 175.275 176.300 0.017 0.000 1.054 272 M CA -0.877 54.424 55.300 0.001 0.000 0.922 272 M CB 1.099 33.700 32.600 0.001 0.000 1.632 272 M HN -0.218 nan 8.290 nan 0.000 0.436 273 L N 4.203 125.438 121.223 0.021 0.000 2.543 273 L HA -0.105 4.236 4.340 0.002 0.000 0.285 273 L C 1.348 178.241 176.870 0.038 0.000 1.236 273 L CA 0.355 55.213 54.840 0.029 0.000 0.871 273 L CB -0.355 41.723 42.059 0.031 0.000 1.121 273 L HN 0.898 nan 8.230 nan 0.000 0.501 274 L N 2.222 123.469 121.223 0.041 0.000 2.081 274 L HA -0.195 4.146 4.340 0.002 0.000 0.212 274 L C 2.312 179.202 176.870 0.033 0.000 1.080 274 L CA 1.797 56.666 54.840 0.048 0.000 0.754 274 L CB -0.552 41.535 42.059 0.045 0.000 0.893 274 L HN 0.795 nan 8.230 nan 0.000 0.433 275 E N -0.895 119.325 120.200 0.033 0.000 2.122 275 E HA -0.184 4.167 4.350 0.002 0.000 0.190 275 E C 1.636 178.272 176.600 0.060 0.000 0.977 275 E CA 1.064 57.487 56.400 0.037 0.000 0.820 275 E CB 0.076 29.798 29.700 0.037 0.000 0.770 275 E HN 0.567 nan 8.360 nan 0.000 0.462 276 D N 0.043 120.480 120.400 0.061 0.000 2.144 276 D HA -0.127 4.514 4.640 0.002 0.000 0.199 276 D C 1.588 177.933 176.300 0.076 0.000 0.984 276 D CA 0.679 54.724 54.000 0.075 0.000 0.834 276 D CB 0.138 40.974 40.800 0.059 0.000 0.955 276 D HN 0.005 nan 8.370 nan 0.000 0.465 277 V N -0.011 119.940 119.914 0.062 0.000 3.611 277 V HA -0.036 4.085 4.120 0.002 0.000 0.281 277 V C 1.572 177.710 176.094 0.073 0.000 1.247 277 V CA 1.022 63.358 62.300 0.061 0.000 1.198 277 V CB -0.355 31.502 31.823 0.057 0.000 0.977 277 V HN 0.083 nan 8.190 nan 0.000 0.445 278 K N -0.370 120.077 120.400 0.079 0.000 2.190 278 K HA 0.212 4.533 4.320 0.002 0.000 0.202 278 K C 2.200 178.849 176.600 0.082 0.000 1.045 278 K CA 0.970 57.308 56.287 0.085 0.000 0.976 278 K CB -0.112 32.436 32.500 0.081 0.000 0.849 278 K HN 0.420 nan 8.250 nan 0.000 0.468 279 A N 1.758 124.643 122.820 0.107 0.000 1.940 279 A HA -0.176 4.145 4.320 0.002 0.000 0.219 279 A C 1.713 179.369 177.584 0.121 0.000 1.176 279 A CA 1.664 53.780 52.037 0.133 0.000 0.631 279 A CB -0.635 18.499 19.000 0.223 0.000 0.814 279 A HN 0.344 nan 8.150 nan 0.000 0.446 280 N N -0.211 118.552 118.700 0.105 0.000 2.244 280 N HA -0.061 4.680 4.740 0.002 0.000 0.183 280 N C 1.666 177.210 175.510 0.056 0.000 1.016 280 N CA 1.381 54.485 53.050 0.091 0.000 0.866 280 N CB -0.259 38.266 38.487 0.063 0.000 0.980 280 N HN 0.572 nan 8.380 nan 0.000 0.430 281 I N 1.045 121.637 120.570 0.036 0.000 2.193 281 I HA -0.196 3.975 4.170 0.002 0.000 0.240 281 I C 2.094 178.232 176.117 0.035 0.000 1.084 281 I CA 0.932 62.230 61.300 -0.003 0.000 1.365 281 I CB -0.680 37.324 38.000 0.006 0.000 1.064 281 I HN 0.032 nan 8.210 nan 0.000 0.410 282 T N 0.294 114.870 114.554 0.037 0.000 2.653 282 T HA -0.308 4.043 4.350 0.002 0.000 0.267 282 T C 1.744 176.485 174.700 0.070 0.000 1.037 282 T CA 2.014 64.112 62.100 -0.003 0.000 1.159 282 T CB -0.407 68.322 68.868 -0.232 0.000 0.859 282 T HN 0.440 nan 8.240 nan 0.000 0.449 283 E N -0.088 120.171 120.200 0.099 0.000 2.112 283 E HA 0.102 4.453 4.350 0.002 0.000 0.190 283 E C 2.317 178.983 176.600 0.110 0.000 0.979 283 E CA 0.580 57.070 56.400 0.149 0.000 0.814 283 E CB -0.103 29.724 29.700 0.210 0.000 0.762 283 E HN 0.463 nan 8.360 nan 0.000 0.460 284 M N 0.471 120.117 119.600 0.077 0.000 2.200 284 M HA -0.112 4.369 4.480 0.002 0.000 0.265 284 M C 2.194 178.525 176.300 0.052 0.000 1.066 284 M CA 0.964 56.290 55.300 0.045 0.000 1.127 284 M CB -0.084 32.511 32.600 -0.009 0.000 1.379 284 M HN 0.164 nan 8.290 nan 0.000 0.420 285 L N -0.032 121.241 121.223 0.083 0.000 1.963 285 L HA -0.252 4.089 4.340 0.002 0.000 0.220 285 L C 2.649 179.688 176.870 0.282 0.000 1.076 285 L CA 1.741 56.701 54.840 0.199 0.000 0.772 285 L CB -0.897 41.320 42.059 0.264 0.000 0.892 285 L HN 0.307 nan 8.230 nan 0.000 0.435 286 A N -0.228 122.718 122.820 0.211 0.000 2.121 286 A HA -0.058 4.263 4.320 0.002 0.000 0.218 286 A C 2.273 179.824 177.584 -0.055 0.000 1.154 286 A CA 1.335 53.337 52.037 -0.058 0.000 0.679 286 A CB -0.965 17.837 19.000 -0.329 0.000 0.795 286 A HN 0.532 nan 8.150 nan 0.000 0.458 287 G N -0.247 108.580 108.800 0.045 0.000 2.402 287 G HA2 0.034 3.995 3.960 0.002 0.000 0.216 287 G HA3 0.034 3.995 3.960 0.002 0.000 0.216 287 G C 1.469 176.424 174.900 0.091 0.000 1.162 287 G CA 1.113 46.260 45.100 0.079 0.000 0.777 287 G HN 0.623 nan 8.290 nan 0.000 0.539 288 G N 0.506 109.356 108.800 0.084 0.000 2.403 288 G HA2 -0.075 3.886 3.960 0.002 0.000 0.216 288 G HA3 -0.075 3.886 3.960 0.002 0.000 0.216 288 G C 1.792 176.756 174.900 0.106 0.000 1.154 288 G CA 1.134 46.283 45.100 0.083 0.000 0.784 288 G HN 0.309 nan 8.290 nan 0.000 0.538 289 V N 1.353 121.323 119.914 0.094 0.000 2.313 289 V HA -0.254 3.867 4.120 0.002 0.000 0.253 289 V C 2.150 178.307 176.094 0.103 0.000 1.070 289 V CA 2.333 64.671 62.300 0.063 0.000 1.057 289 V CB -0.368 31.400 31.823 -0.092 0.000 0.653 289 V HN 0.394 nan 8.190 nan 0.000 0.450 290 N N -1.891 116.885 118.700 0.126 0.000 2.129 290 N HA 0.011 4.752 4.740 0.002 0.000 0.222 290 N C 1.648 177.343 175.510 0.308 0.000 1.303 290 N CA 0.897 54.106 53.050 0.266 0.000 0.897 290 N CB 0.477 39.082 38.487 0.196 0.000 1.093 290 N HN 0.650 nan 8.380 nan 0.000 0.501 291 T N -2.374 112.327 114.554 0.245 0.000 2.851 291 T HA -0.077 4.274 4.350 0.002 0.000 0.262 291 T C 1.920 176.725 174.700 0.175 0.000 1.043 291 T CA 1.775 64.000 62.100 0.207 0.000 1.140 291 T CB -0.824 68.153 68.868 0.182 0.000 0.872 291 T HN 0.154 nan 8.240 nan 0.000 0.446 292 T N 1.376 116.028 114.554 0.163 0.000 2.737 292 T HA -0.064 4.287 4.350 0.002 0.000 0.265 292 T C 2.345 177.099 174.700 0.090 0.000 1.038 292 T CA 1.289 63.468 62.100 0.132 0.000 1.144 292 T CB -0.935 68.005 68.868 0.120 0.000 0.866 292 T HN 0.386 nan 8.240 nan 0.000 0.434 293 S N 1.972 117.743 115.700 0.118 0.000 2.359 293 S HA -0.098 4.373 4.470 0.002 0.000 0.223 293 S C 2.216 176.804 174.600 -0.020 0.000 1.039 293 S CA 1.553 59.769 58.200 0.026 0.000 1.042 293 S CB -0.502 62.763 63.200 0.108 0.000 0.915 293 S HN 0.315 nan 8.310 nan 0.000 0.439 294 M N 1.513 121.173 119.600 0.099 0.000 2.080 294 M HA -0.099 4.382 4.480 0.002 0.000 0.260 294 M C 2.393 178.806 176.300 0.189 0.000 1.068 294 M CA 1.671 57.034 55.300 0.105 0.000 1.109 294 M CB -2.343 30.415 32.600 0.264 0.000 1.342 294 M HN 0.358 nan 8.290 nan 0.000 0.405 295 T N 1.509 116.201 114.554 0.231 0.000 2.684 295 T HA -0.111 4.240 4.350 0.002 0.000 0.267 295 T C 2.009 176.841 174.700 0.221 0.000 1.036 295 T CA 0.984 63.246 62.100 0.271 0.000 1.148 295 T CB -0.354 68.627 68.868 0.189 0.000 0.863 295 T HN 0.098 nan 8.240 nan 0.000 0.436 296 L N 1.308 122.565 121.223 0.058 0.000 1.990 296 L HA -0.162 4.179 4.340 0.002 0.000 0.213 296 L C 2.750 179.622 176.870 0.004 0.000 1.072 296 L CA 1.785 56.588 54.840 -0.061 0.000 0.755 296 L CB -1.615 40.172 42.059 -0.454 0.000 0.889 296 L HN 0.385 nan 8.230 nan 0.000 0.432 297 Q N -1.317 118.424 119.800 -0.098 0.000 2.077 297 Q HA -0.257 4.084 4.340 0.002 0.000 0.206 297 Q C 2.366 178.304 176.000 -0.103 0.000 0.989 297 Q CA 2.343 58.041 55.803 -0.175 0.000 0.853 297 Q CB -0.302 28.206 28.738 -0.383 0.000 0.907 297 Q HN 0.485 nan 8.270 nan 0.000 0.418 298 W N -0.292 120.996 121.300 -0.019 0.000 2.335 298 W HA -0.250 4.411 4.660 0.002 0.000 0.311 298 W C 2.581 179.179 176.519 0.131 0.000 1.213 298 W CA 1.229 58.562 57.345 -0.020 0.000 1.274 298 W CB -0.551 28.871 29.460 -0.063 0.000 1.148 298 W HN 0.428 nan 8.180 nan 0.000 0.498 299 H N 0.395 119.652 119.070 0.312 0.000 2.265 299 H HA -0.206 4.352 4.556 0.002 0.000 0.295 299 H C 2.029 177.410 175.328 0.089 0.000 1.084 299 H CA 2.262 58.439 56.048 0.216 0.000 1.261 299 H CB -0.526 29.360 29.762 0.206 0.000 1.360 299 H HN -0.028 nan 8.280 nan 0.000 0.487 300 L N 0.307 121.727 121.223 0.328 0.000 1.990 300 L HA -0.223 4.118 4.340 0.002 0.000 0.213 300 L C 2.676 179.589 176.870 0.072 0.000 1.072 300 L CA 1.975 56.919 54.840 0.173 0.000 0.755 300 L CB -1.904 40.214 42.059 0.097 0.000 0.889 300 L HN 0.368 nan 8.230 nan 0.000 0.432 301 Y N 0.900 121.166 120.300 -0.056 0.000 2.040 301 Y HA -0.318 4.233 4.550 0.002 0.000 0.275 301 Y C 2.577 178.436 175.900 -0.068 0.000 1.171 301 Y CA 2.171 60.225 58.100 -0.077 0.000 1.123 301 Y CB -0.148 38.258 38.460 -0.091 0.000 0.963 301 Y HN 0.249 nan 8.280 nan 0.000 0.493 302 E N 0.087 120.271 120.200 -0.028 0.000 2.051 302 E HA -0.241 4.110 4.350 0.002 0.000 0.192 302 E C 2.291 178.581 176.600 -0.516 0.000 0.991 302 E CA 1.643 57.810 56.400 -0.389 0.000 0.799 302 E CB -0.488 28.774 29.700 -0.730 0.000 0.748 302 E HN 0.626 nan 8.360 nan 0.000 0.449 303 M N 0.045 119.399 119.600 -0.410 0.000 2.435 303 M HA -0.145 4.336 4.480 0.002 0.000 0.262 303 M C 2.098 178.311 176.300 -0.145 0.000 1.065 303 M CA 1.081 56.257 55.300 -0.206 0.000 1.076 303 M CB -0.285 32.338 32.600 0.038 0.000 1.403 303 M HN 0.041 nan 8.290 nan 0.000 0.454 304 A N -0.280 122.421 122.820 -0.198 0.000 1.943 304 A HA -0.027 4.294 4.320 0.002 0.000 0.213 304 A C 2.135 179.592 177.584 -0.212 0.000 1.181 304 A CA 0.650 52.572 52.037 -0.191 0.000 0.653 304 A CB -0.317 18.558 19.000 -0.209 0.000 0.833 304 A HN 0.350 nan 8.150 nan 0.000 0.451 305 R N 0.633 120.945 120.500 -0.312 0.000 2.115 305 R HA -0.046 4.295 4.340 0.002 0.000 0.230 305 R C 0.057 176.281 176.300 -0.127 0.000 1.111 305 R CA 1.266 57.220 56.100 -0.243 0.000 0.976 305 R CB -0.101 30.011 30.300 -0.313 0.000 0.870 305 R HN 0.575 nan 8.270 nan 0.000 0.445 306 S N -0.009 115.614 115.700 -0.127 0.000 2.516 306 S HA 0.264 4.735 4.470 0.002 0.000 0.268 306 S C 0.789 175.380 174.600 -0.015 0.000 1.251 306 S CA -0.674 57.505 58.200 -0.035 0.000 1.153 306 S CB 0.995 64.219 63.200 0.040 0.000 1.009 306 S HN 0.062 nan 8.310 nan 0.000 0.479 307 L N 2.410 123.628 121.223 -0.008 0.000 2.044 307 L HA -0.008 4.333 4.340 0.002 0.000 0.205 307 L C 2.803 179.692 176.870 0.032 0.000 1.075 307 L CA 1.252 56.094 54.840 0.005 0.000 0.747 307 L CB -0.663 41.394 42.059 -0.003 0.000 0.903 307 L HN 0.707 nan 8.230 nan 0.000 0.435 308 N N 0.130 118.853 118.700 0.038 0.000 2.060 308 N HA -0.217 4.524 4.740 0.002 0.000 0.195 308 N C 1.753 177.309 175.510 0.076 0.000 1.028 308 N CA 1.561 54.642 53.050 0.051 0.000 0.861 308 N CB 0.098 38.615 38.487 0.050 0.000 1.029 308 N HN 0.061 nan 8.380 nan 0.000 0.428 309 V N 0.693 120.669 119.914 0.104 0.000 2.591 309 V HA -0.145 3.977 4.120 0.002 0.000 0.249 309 V C 2.366 178.556 176.094 0.160 0.000 1.053 309 V CA 1.269 63.664 62.300 0.157 0.000 1.068 309 V CB -0.490 31.487 31.823 0.257 0.000 0.689 309 V HN 0.397 nan 8.190 nan 0.000 0.462 310 Q N -0.211 119.659 119.800 0.117 0.000 2.096 310 Q HA -0.237 4.104 4.340 0.002 0.000 0.204 310 Q C 2.356 178.420 176.000 0.107 0.000 0.982 310 Q CA 1.670 57.541 55.803 0.113 0.000 0.850 310 Q CB 0.015 28.794 28.738 0.067 0.000 0.901 310 Q HN 0.595 nan 8.270 nan 0.000 0.422 311 E N 0.180 120.428 120.200 0.081 0.000 2.051 311 E HA -0.181 4.170 4.350 0.002 0.000 0.192 311 E C 2.014 178.659 176.600 0.076 0.000 0.991 311 E CA 1.175 57.614 56.400 0.067 0.000 0.799 311 E CB -0.279 29.448 29.700 0.045 0.000 0.748 311 E HN 0.494 nan 8.360 nan 0.000 0.449 312 M N 0.235 119.887 119.600 0.086 0.000 2.195 312 M HA -0.172 4.309 4.480 0.002 0.000 0.260 312 M C 2.327 178.689 176.300 0.103 0.000 1.066 312 M CA 1.243 56.597 55.300 0.089 0.000 1.089 312 M CB -0.310 32.347 32.600 0.095 0.000 1.377 312 M HN 0.065 nan 8.290 nan 0.000 0.411 313 L N -1.138 120.163 121.223 0.130 0.000 2.179 313 L HA -0.102 4.239 4.340 0.002 0.000 0.208 313 L C 2.679 179.620 176.870 0.118 0.000 1.096 313 L CA 0.697 55.624 54.840 0.146 0.000 0.779 313 L CB -0.501 41.681 42.059 0.206 0.000 0.922 313 L HN 0.296 nan 8.230 nan 0.000 0.443 314 R N 0.610 121.173 120.500 0.105 0.000 2.062 314 R HA -0.197 4.144 4.340 0.002 0.000 0.229 314 R C 2.137 178.481 176.300 0.074 0.000 1.128 314 R CA 1.578 57.731 56.100 0.088 0.000 0.960 314 R CB -0.028 30.321 30.300 0.083 0.000 0.855 314 R HN 0.253 nan 8.270 nan 0.000 0.432 315 E N 0.068 120.308 120.200 0.067 0.000 2.209 315 E HA -0.199 4.152 4.350 0.002 0.000 0.196 315 E C 1.501 178.137 176.600 0.059 0.000 0.993 315 E CA 1.055 57.489 56.400 0.056 0.000 0.819 315 E CB 0.176 29.907 29.700 0.051 0.000 0.745 315 E HN 0.193 nan 8.360 nan 0.000 0.477 316 E N -0.416 119.826 120.200 0.069 0.000 2.472 316 E HA -0.010 4.341 4.350 0.002 0.000 0.196 316 E C 1.425 178.066 176.600 0.067 0.000 1.033 316 E CA 0.154 56.596 56.400 0.069 0.000 0.886 316 E CB 0.695 30.443 29.700 0.080 0.000 0.944 316 E HN 0.173 nan 8.360 nan 0.000 0.492 317 V N 0.255 120.210 119.914 0.069 0.000 2.672 317 V HA -0.092 4.029 4.120 0.002 0.000 0.242 317 V C 2.109 178.237 176.094 0.056 0.000 1.059 317 V CA 0.567 62.905 62.300 0.062 0.000 1.081 317 V CB -0.138 31.723 31.823 0.064 0.000 0.752 317 V HN 0.129 nan 8.190 nan 0.000 0.472 318 L N 0.580 121.838 121.223 0.058 0.000 2.313 318 L HA 0.032 4.373 4.340 0.002 0.000 0.214 318 L C 2.019 178.918 176.870 0.048 0.000 1.119 318 L CA 1.554 56.427 54.840 0.055 0.000 0.809 318 L CB -0.881 41.214 42.059 0.060 0.000 0.933 318 L HN 0.368 nan 8.230 nan 0.000 0.449 319 N N -0.756 117.971 118.700 0.046 0.000 2.409 319 N HA -0.065 4.676 4.740 0.002 0.000 0.179 319 N C 1.738 177.271 175.510 0.038 0.000 1.032 319 N CA 0.815 53.889 53.050 0.041 0.000 0.898 319 N CB 0.126 38.637 38.487 0.040 0.000 0.971 319 N HN 0.348 nan 8.380 nan 0.000 0.441 320 A N 1.352 124.197 122.820 0.041 0.000 1.975 320 A HA -0.002 4.319 4.320 0.002 0.000 0.215 320 A C 2.111 179.718 177.584 0.037 0.000 1.170 320 A CA 0.481 52.541 52.037 0.038 0.000 0.656 320 A CB -0.222 18.802 19.000 0.039 0.000 0.821 320 A HN 0.073 nan 8.150 nan 0.000 0.449 321 R N 0.893 121.418 120.500 0.041 0.000 2.117 321 R HA -0.192 4.149 4.340 0.002 0.000 0.243 321 R C 2.245 178.566 176.300 0.035 0.000 1.143 321 R CA 2.258 58.383 56.100 0.042 0.000 0.968 321 R CB -0.285 30.044 30.300 0.048 0.000 0.863 321 R HN 0.695 nan 8.270 nan 0.000 0.444 322 R N -1.091 119.428 120.500 0.032 0.000 2.105 322 R HA 0.067 4.408 4.340 0.002 0.000 0.214 322 R C 0.945 177.260 176.300 0.024 0.000 1.091 322 R CA 0.305 56.422 56.100 0.027 0.000 1.007 322 R CB -0.303 30.013 30.300 0.027 0.000 0.912 322 R HN 0.152 nan 8.270 nan 0.000 0.450 323 Q N 1.087 120.902 119.800 0.026 0.000 2.362 323 Q HA 0.177 4.518 4.340 0.002 0.000 0.215 323 Q C 0.655 176.669 176.000 0.023 0.000 0.944 323 Q CA 0.734 56.551 55.803 0.023 0.000 0.964 323 Q CB 0.917 29.669 28.738 0.024 0.000 0.998 323 Q HN 0.563 nan 8.270 nan 0.000 0.488 324 A N -0.936 121.898 122.820 0.024 0.000 2.480 324 A HA 0.181 4.502 4.320 0.002 0.000 0.191 324 A C 1.011 178.608 177.584 0.022 0.000 1.503 324 A CA 0.636 52.687 52.037 0.023 0.000 1.110 324 A CB 0.434 19.451 19.000 0.027 0.000 1.401 324 A HN 0.191 nan 8.150 nan 0.000 0.533 325 E N -1.206 119.007 120.200 0.022 0.000 4.931 325 E HA -0.246 4.105 4.350 0.002 0.000 0.176 325 E C 0.999 177.612 176.600 0.020 0.000 1.336 325 E CA 2.637 59.048 56.400 0.019 0.000 2.234 325 E CB -1.674 28.035 29.700 0.015 0.000 1.887 325 E HN 0.995 nan 8.360 nan 0.000 0.354 326 G N -0.919 107.894 108.800 0.022 0.000 3.252 326 G HA2 0.383 4.344 3.960 0.002 0.000 0.181 326 G HA3 0.383 4.344 3.960 0.002 0.000 0.181 326 G C -0.826 174.094 174.900 0.033 0.000 1.187 326 G CA -0.039 45.075 45.100 0.024 0.000 0.886 326 G HN 0.277 nan 8.290 nan 0.000 0.615 327 D N -0.726 119.694 120.400 0.033 0.000 2.703 327 D HA -0.116 4.525 4.640 0.002 0.000 0.220 327 D C 1.663 177.990 176.300 0.045 0.000 1.188 327 D CA 0.060 54.086 54.000 0.043 0.000 0.862 327 D CB 0.550 41.371 40.800 0.036 0.000 1.223 327 D HN 0.037 nan 8.370 nan 0.000 0.524 328 I N 2.565 123.168 120.570 0.055 0.000 2.163 328 I HA -0.285 3.886 4.170 0.002 0.000 0.243 328 I C 2.699 178.835 176.117 0.032 0.000 1.085 328 I CA 1.172 62.498 61.300 0.043 0.000 1.347 328 I CB -1.129 36.894 38.000 0.037 0.000 1.044 328 I HN 0.479 nan 8.210 nan 0.000 0.408 329 S N 0.371 116.091 115.700 0.032 0.000 2.507 329 S HA -0.442 4.029 4.470 0.002 0.000 0.327 329 S C 2.099 176.710 174.600 0.019 0.000 1.255 329 S CA 2.725 60.939 58.200 0.023 0.000 1.276 329 S CB -0.381 62.831 63.200 0.020 0.000 1.296 329 S HN 0.385 nan 8.310 nan 0.000 0.459 330 K N 1.276 121.688 120.400 0.019 0.000 2.097 330 K HA 0.067 4.388 4.320 0.002 0.000 0.205 330 K C 2.155 178.767 176.600 0.020 0.000 1.050 330 K CA 1.677 57.975 56.287 0.018 0.000 0.938 330 K CB -0.405 32.106 32.500 0.017 0.000 0.718 330 K HN 0.828 nan 8.250 nan 0.000 0.442 331 M N -0.676 118.938 119.600 0.024 0.000 2.659 331 M HA 0.142 4.623 4.480 0.002 0.000 0.243 331 M C 0.855 177.169 176.300 0.024 0.000 1.111 331 M CA 0.938 56.253 55.300 0.026 0.000 1.070 331 M CB 0.036 32.654 32.600 0.029 0.000 1.525 331 M HN -0.088 nan 8.290 nan 0.000 0.517 332 L N 1.248 122.484 121.223 0.022 0.000 2.675 332 L HA 0.060 4.401 4.340 0.002 0.000 0.238 332 L C 1.063 177.948 176.870 0.024 0.000 1.155 332 L CA 1.415 56.268 54.840 0.021 0.000 0.881 332 L CB -0.593 41.479 42.059 0.021 0.000 1.008 332 L HN 0.536 nan 8.230 nan 0.000 0.443 333 Q N -2.599 117.216 119.800 0.025 0.000 2.081 333 Q HA 0.205 4.546 4.340 0.002 0.000 0.220 333 Q C 0.730 176.748 176.000 0.031 0.000 0.775 333 Q CA -0.158 55.661 55.803 0.026 0.000 0.983 333 Q CB 0.545 29.295 28.738 0.020 0.000 1.188 333 Q HN 0.242 nan 8.270 nan 0.000 0.458 334 M N 1.473 121.093 119.600 0.033 0.000 2.549 334 M HA 0.157 4.638 4.480 0.002 0.000 0.273 334 M C 0.065 176.392 176.300 0.044 0.000 1.213 334 M CA 0.263 55.584 55.300 0.036 0.000 0.976 334 M CB 0.731 33.351 32.600 0.033 0.000 1.457 334 M HN -0.042 nan 8.290 nan 0.000 0.485 335 V N -1.105 118.838 119.914 0.049 0.000 2.315 335 V HA 0.398 4.519 4.120 0.002 0.000 0.265 335 V C -2.040 174.096 176.094 0.071 0.000 1.019 335 V CA -1.145 61.192 62.300 0.061 0.000 0.824 335 V CB 0.851 32.710 31.823 0.060 0.000 1.072 335 V HN -0.016 nan 8.190 nan 0.000 0.448 336 P HA -0.006 nan 4.420 nan 0.000 0.216 336 P C 1.660 179.022 177.300 0.103 0.000 1.156 336 P CA 0.605 63.756 63.100 0.084 0.000 0.855 336 P CB 0.628 32.375 31.700 0.078 0.000 0.786 337 L N -0.883 120.402 121.223 0.103 0.000 2.131 337 L HA -0.101 4.240 4.340 0.002 0.000 0.210 337 L C 2.525 179.483 176.870 0.147 0.000 1.092 337 L CA 1.305 56.217 54.840 0.120 0.000 0.759 337 L CB -1.755 40.371 42.059 0.113 0.000 0.903 337 L HN -0.094 nan 8.230 nan 0.000 0.435 338 L N -0.829 120.477 121.223 0.139 0.000 2.005 338 L HA -0.161 4.180 4.340 0.002 0.000 0.207 338 L C 2.483 179.452 176.870 0.164 0.000 1.072 338 L CA 1.721 56.660 54.840 0.164 0.000 0.744 338 L CB -0.721 41.411 42.059 0.122 0.000 0.895 338 L HN 0.116 nan 8.230 nan 0.000 0.433 339 K N -0.185 120.288 120.400 0.122 0.000 2.044 339 K HA -0.192 4.129 4.320 0.002 0.000 0.210 339 K C 2.024 178.686 176.600 0.103 0.000 1.049 339 K CA 1.645 57.996 56.287 0.106 0.000 0.927 339 K CB -0.694 31.856 32.500 0.084 0.000 0.713 339 K HN 0.495 nan 8.250 nan 0.000 0.443 340 A N 1.590 124.480 122.820 0.117 0.000 1.930 340 A HA -0.169 4.152 4.320 0.002 0.000 0.217 340 A C 2.331 179.940 177.584 0.040 0.000 1.175 340 A CA 2.202 54.306 52.037 0.111 0.000 0.627 340 A CB -0.655 18.464 19.000 0.197 0.000 0.815 340 A HN 0.467 nan 8.150 nan 0.000 0.443 341 S N 0.390 116.155 115.700 0.109 0.000 2.402 341 S HA -0.178 4.293 4.470 0.002 0.000 0.233 341 S C 1.794 176.466 174.600 0.120 0.000 1.030 341 S CA 1.611 59.880 58.200 0.116 0.000 1.003 341 S CB -0.829 62.620 63.200 0.416 0.000 0.813 341 S HN 0.516 nan 8.310 nan 0.000 0.477 342 I N 0.868 121.548 120.570 0.184 0.000 2.493 342 I HA -0.086 4.085 4.170 0.002 0.000 0.254 342 I C 2.677 178.798 176.117 0.006 0.000 1.160 342 I CA 1.084 62.501 61.300 0.194 0.000 1.445 342 I CB -0.226 37.900 38.000 0.210 0.000 1.086 342 I HN 0.305 nan 8.210 nan 0.000 0.433 343 K N 0.745 121.028 120.400 -0.195 0.000 2.044 343 K HA -0.142 4.179 4.320 0.002 0.000 0.204 343 K C 2.016 178.190 176.600 -0.710 0.000 1.045 343 K CA 0.871 56.823 56.287 -0.559 0.000 0.951 343 K CB -0.058 31.879 32.500 -0.939 0.000 0.738 343 K HN -0.017 nan 8.250 nan 0.000 0.443 344 E N 0.517 120.354 120.200 -0.604 0.000 2.273 344 E HA -0.165 4.186 4.350 0.002 0.000 0.198 344 E C 1.366 177.842 176.600 -0.208 0.000 1.002 344 E CA 1.613 57.858 56.400 -0.259 0.000 0.828 344 E CB -0.001 29.518 29.700 -0.301 0.000 0.747 344 E HN 0.143 nan 8.360 nan 0.000 0.491 345 T N -0.309 114.200 114.554 -0.075 0.000 2.976 345 T HA 0.013 4.364 4.350 0.002 0.000 0.257 345 T C 1.255 175.946 174.700 -0.014 0.000 1.051 345 T CA 0.539 62.723 62.100 0.140 0.000 1.141 345 T CB -0.103 68.938 68.868 0.289 0.000 0.881 345 T HN 0.081 nan 8.240 nan 0.000 0.461 346 L N 1.280 122.445 121.223 -0.097 0.000 2.478 346 L HA 0.227 4.568 4.340 0.002 0.000 0.223 346 L C 2.248 178.984 176.870 -0.222 0.000 1.140 346 L CA 1.046 55.795 54.840 -0.151 0.000 0.842 346 L CB -0.466 41.489 42.059 -0.173 0.000 0.953 346 L HN 0.072 nan 8.230 nan 0.000 0.452 347 R N -0.871 119.464 120.500 -0.276 0.000 2.052 347 R HA -0.018 4.323 4.340 0.002 0.000 0.224 347 R C 2.137 178.222 176.300 -0.359 0.000 1.149 347 R CA 0.975 56.908 56.100 -0.278 0.000 0.962 347 R CB -0.324 29.824 30.300 -0.254 0.000 0.856 347 R HN 0.290 nan 8.270 nan 0.000 0.433 348 L N 0.301 121.266 121.223 -0.430 0.000 2.187 348 L HA -0.146 4.195 4.340 0.002 0.000 0.213 348 L C 0.514 176.755 176.870 -1.050 0.000 1.100 348 L CA 1.049 55.453 54.840 -0.726 0.000 0.765 348 L CB -0.156 41.436 42.059 -0.780 0.000 0.904 348 L HN 0.367 nan 8.230 nan 0.000 0.437 349 H N -1.770 117.070 119.070 -0.383 0.000 2.600 349 H HA 0.277 4.835 4.556 0.002 0.000 0.224 349 H C -2.370 172.774 175.328 -0.307 0.000 1.413 349 H CA -1.585 54.141 56.048 -0.537 0.000 1.401 349 H CB 0.154 29.151 29.762 -1.274 0.000 1.772 349 H HN 0.063 nan 8.280 nan 0.000 0.528 350 P HA 0.120 nan 4.420 nan 0.000 0.274 350 P C 0.852 178.139 177.300 -0.022 0.000 1.260 350 P CA -0.392 62.666 63.100 -0.071 0.000 0.793 350 P CB 2.001 33.692 31.700 -0.016 0.000 1.048 351 I N -1.132 119.421 120.570 -0.029 0.000 3.339 351 I HA -0.007 4.164 4.170 0.002 0.000 0.285 351 I C 1.188 177.308 176.117 0.005 0.000 1.201 351 I CA 0.801 62.098 61.300 -0.004 0.000 1.434 351 I CB -0.493 37.498 38.000 -0.015 0.000 1.152 351 I HN 0.330 nan 8.210 nan 0.000 0.443 352 S N 0.538 116.256 115.700 0.029 0.000 2.499 352 S HA 0.285 4.756 4.470 0.002 0.000 0.279 352 S C 0.705 175.383 174.600 0.130 0.000 1.219 352 S CA -0.465 57.786 58.200 0.085 0.000 1.062 352 S CB 2.553 65.810 63.200 0.095 0.000 0.978 352 S HN 0.034 nan 8.310 nan 0.000 0.489 353 V N 2.471 122.497 119.914 0.187 0.000 2.788 353 V HA 0.161 4.282 4.120 0.002 0.000 0.251 353 V C 0.820 177.074 176.094 0.266 0.000 1.068 353 V CA 1.902 64.338 62.300 0.226 0.000 1.090 353 V CB -0.450 31.499 31.823 0.210 0.000 0.710 353 V HN 1.171 nan 8.190 nan 0.000 0.467 354 T N -2.117 112.572 114.554 0.224 0.000 2.841 354 T HA 0.615 4.966 4.350 0.002 0.000 0.296 354 T C -0.991 173.802 174.700 0.154 0.000 1.166 354 T CA -0.752 61.457 62.100 0.183 0.000 1.007 354 T CB 1.817 70.776 68.868 0.152 0.000 1.253 354 T HN 0.097 nan 8.240 nan 0.000 0.511 355 L N 0.936 122.243 121.223 0.139 0.000 2.331 355 L HA 0.730 5.071 4.340 0.002 0.000 0.275 355 L C -0.412 176.491 176.870 0.055 0.000 1.022 355 L CA -0.992 53.935 54.840 0.146 0.000 0.812 355 L CB 1.662 43.869 42.059 0.247 0.000 1.257 355 L HN 0.654 nan 8.230 nan 0.000 0.435 356 Q N 2.268 122.095 119.800 0.046 0.000 2.394 356 Q HA 0.701 5.042 4.340 0.002 0.000 0.273 356 Q C -1.208 174.759 176.000 -0.054 0.000 1.089 356 Q CA -0.835 54.929 55.803 -0.064 0.000 0.812 356 Q CB 2.617 31.325 28.738 -0.050 0.000 1.353 356 Q HN 0.264 nan 8.270 nan 0.000 0.438 357 R N 1.470 121.870 120.500 -0.167 0.000 2.522 357 R HA 0.266 4.607 4.340 0.002 0.000 0.283 357 R C -1.451 174.762 176.300 -0.145 0.000 1.074 357 R CA -0.634 55.418 56.100 -0.081 0.000 0.925 357 R CB 1.090 31.306 30.300 -0.139 0.000 1.205 357 R HN 0.686 nan 8.270 nan 0.000 0.436 358 Y N 3.781 124.035 120.300 -0.077 0.000 2.640 358 Y HA 0.149 4.700 4.550 0.002 0.000 0.355 358 Y C -1.377 174.488 175.900 -0.058 0.000 1.088 358 Y CA -1.921 56.131 58.100 -0.080 0.000 1.443 358 Y CB -0.212 38.213 38.460 -0.059 0.000 1.224 358 Y HN 0.229 nan 8.280 nan 0.000 0.516 359 P HA -0.134 nan 4.420 nan 0.000 0.263 359 P C 0.733 178.077 177.300 0.073 0.000 1.175 359 P CA 0.319 63.453 63.100 0.057 0.000 0.761 359 P CB 1.007 32.700 31.700 -0.011 0.000 0.794 360 E N 1.331 121.594 120.200 0.105 0.000 2.204 360 E HA -0.097 4.254 4.350 0.002 0.000 0.195 360 E C 0.651 177.289 176.600 0.064 0.000 0.990 360 E CA 0.856 57.301 56.400 0.076 0.000 0.821 360 E CB 0.341 30.086 29.700 0.074 0.000 0.750 360 E HN 0.646 nan 8.360 nan 0.000 0.477 361 S N -0.670 115.083 115.700 0.088 0.000 2.806 361 S HA 0.276 4.747 4.470 0.002 0.000 0.306 361 S C -0.711 173.855 174.600 -0.057 0.000 1.167 361 S CA -1.191 57.035 58.200 0.042 0.000 0.847 361 S CB 1.611 64.879 63.200 0.113 0.000 1.216 361 S HN -0.074 nan 8.310 nan 0.000 0.532 362 D N 1.025 121.372 120.400 -0.088 0.000 2.344 362 D HA 0.615 5.256 4.640 0.002 0.000 0.244 362 D C 0.185 176.308 176.300 -0.294 0.000 1.134 362 D CA -0.065 53.839 54.000 -0.160 0.000 0.930 362 D CB 1.063 41.797 40.800 -0.109 0.000 1.175 362 D HN 0.759 nan 8.370 nan 0.000 0.437 363 L N -3.090 117.932 121.223 -0.336 0.000 3.041 363 L HA 0.618 4.959 4.340 0.002 0.000 0.278 363 L C -1.806 174.908 176.870 -0.260 0.000 1.051 363 L CA -1.034 53.521 54.840 -0.475 0.000 0.957 363 L CB 1.723 43.125 42.059 -1.096 0.000 1.538 363 L HN 0.090 nan 8.230 nan 0.000 0.393 364 V N 2.436 122.220 119.914 -0.216 0.000 2.487 364 V HA 0.583 4.704 4.120 0.002 0.000 0.298 364 V C -0.802 175.157 176.094 -0.225 0.000 1.028 364 V CA -0.389 61.816 62.300 -0.158 0.000 0.860 364 V CB 1.678 33.425 31.823 -0.127 0.000 0.991 364 V HN 0.436 nan 8.190 nan 0.000 0.427 365 L N 5.371 126.531 121.223 -0.105 0.000 2.349 365 L HA 0.608 4.949 4.340 0.002 0.000 0.278 365 L C 0.388 177.280 176.870 0.036 0.000 0.996 365 L CA 0.093 54.885 54.840 -0.081 0.000 0.825 365 L CB 1.356 43.389 42.059 -0.044 0.000 1.243 365 L HN 0.798 nan 8.230 nan 0.000 0.412 366 Q N 1.556 121.353 119.800 -0.004 0.000 1.362 366 Q HA -0.303 4.038 4.340 0.002 0.000 0.377 366 Q C -0.136 175.861 176.000 -0.006 0.000 0.972 366 Q CA 1.359 57.191 55.803 0.049 0.000 0.658 366 Q CB -0.482 28.390 28.738 0.223 0.000 4.537 366 Q HN 0.771 nan 8.270 nan 0.000 0.581 367 D N 0.470 120.819 120.400 -0.086 0.000 2.973 367 D HA 0.488 5.129 4.640 0.002 0.000 0.263 367 D C -1.221 174.768 176.300 -0.518 0.000 1.266 367 D CA 0.236 54.067 54.000 -0.281 0.000 0.975 367 D CB -0.364 40.252 40.800 -0.306 0.000 1.032 367 D HN 0.224 nan 8.370 nan 0.000 0.510 368 Y N -0.321 119.946 120.300 -0.054 0.000 2.625 368 Y HA 0.391 4.941 4.550 0.001 0.000 0.338 368 Y C -0.935 174.942 175.900 -0.039 0.000 1.123 368 Y CA -1.470 56.608 58.100 -0.036 0.000 1.046 368 Y CB 1.308 39.752 38.460 -0.028 0.000 1.299 368 Y HN -0.054 nan 8.280 nan 0.000 0.464 369 L N 3.926 125.253 121.223 0.175 0.000 2.276 369 L HA 0.602 4.943 4.340 0.002 0.000 0.286 369 L C -1.537 175.377 176.870 0.072 0.000 1.024 369 L CA -0.412 54.472 54.840 0.073 0.000 0.826 369 L CB 0.258 42.346 42.059 0.049 0.000 1.211 369 L HN 0.372 nan 8.230 nan 0.000 0.422 370 I N 7.454 128.006 120.570 -0.029 0.000 2.328 370 I HA 0.384 4.555 4.170 0.002 0.000 0.287 370 I C -2.275 173.731 176.117 -0.184 0.000 1.012 370 I CA -1.920 59.318 61.300 -0.103 0.000 1.195 370 I CB 1.148 39.081 38.000 -0.112 0.000 1.350 370 I HN 0.466 nan 8.210 nan 0.000 0.464 371 P HA 0.199 nan 4.420 nan 0.000 0.282 371 P C -0.027 177.160 177.300 -0.189 0.000 1.262 371 P CA -0.272 62.693 63.100 -0.226 0.000 0.773 371 P CB 0.986 32.521 31.700 -0.275 0.000 0.879 372 A N 4.477 127.219 122.820 -0.129 0.000 2.630 372 A HA -0.115 4.206 4.320 0.002 0.000 0.231 372 A C 1.091 178.637 177.584 -0.064 0.000 1.023 372 A CA 0.808 52.799 52.037 -0.077 0.000 0.773 372 A CB -0.541 18.432 19.000 -0.044 0.000 0.923 372 A HN 0.657 nan 8.150 nan 0.000 0.497 373 K N -0.752 119.648 120.400 -0.000 0.000 3.512 373 K HA -0.123 4.198 4.320 0.002 0.000 0.309 373 K C 0.072 176.729 176.600 0.095 0.000 1.350 373 K CA 1.610 57.942 56.287 0.074 0.000 0.960 373 K CB -2.721 29.788 32.500 0.014 0.000 1.290 373 K HN 0.937 nan 8.250 nan 0.000 0.454 374 T N 1.819 116.336 114.554 -0.062 0.000 2.806 374 T HA 0.354 4.705 4.350 0.002 0.000 0.290 374 T C 0.135 174.633 174.700 -0.336 0.000 0.966 374 T CA -0.739 61.245 62.100 -0.194 0.000 1.060 374 T CB 1.279 69.975 68.868 -0.288 0.000 0.927 374 T HN 0.081 nan 8.240 nan 0.000 0.485 375 L N 6.129 127.047 121.223 -0.507 0.000 2.456 375 L HA 0.311 4.652 4.340 0.002 0.000 0.277 375 L C -0.645 175.878 176.870 -0.579 0.000 1.124 375 L CA 0.187 54.556 54.840 -0.784 0.000 0.880 375 L CB -0.420 41.171 42.059 -0.779 0.000 1.192 375 L HN 0.419 nan 8.230 nan 0.000 0.463 376 V N 5.518 125.119 119.914 -0.521 0.000 2.555 376 V HA 0.537 4.658 4.120 0.002 0.000 0.302 376 V C -0.182 175.655 176.094 -0.428 0.000 1.038 376 V CA -0.805 61.224 62.300 -0.452 0.000 0.887 376 V CB 1.705 33.333 31.823 -0.324 0.000 0.991 376 V HN 0.703 nan 8.190 nan 0.000 0.434 377 Q N 2.363 121.882 119.800 -0.470 0.000 2.337 377 Q HA 0.638 4.979 4.340 0.002 0.000 0.270 377 Q C -1.526 174.369 176.000 -0.175 0.000 1.043 377 Q CA -0.711 54.890 55.803 -0.337 0.000 0.794 377 Q CB 3.084 31.561 28.738 -0.435 0.000 1.281 377 Q HN 0.576 nan 8.270 nan 0.000 0.446 378 V N 1.638 121.515 119.914 -0.061 0.000 2.370 378 V HA 0.401 4.522 4.120 0.002 0.000 0.283 378 V C -0.087 176.048 176.094 0.068 0.000 1.023 378 V CA -0.525 61.775 62.300 0.000 0.000 0.857 378 V CB 1.345 33.187 31.823 0.032 0.000 0.985 378 V HN 0.855 nan 8.190 nan 0.000 0.443 379 A N 5.996 128.868 122.820 0.087 0.000 3.004 379 A HA 0.354 4.675 4.320 0.002 0.000 0.286 379 A C 1.322 179.003 177.584 0.161 0.000 1.632 379 A CA -0.289 51.847 52.037 0.166 0.000 1.339 379 A CB -0.534 18.633 19.000 0.278 0.000 1.136 379 A HN 0.681 nan 8.150 nan 0.000 0.577 380 I N 0.464 121.136 120.570 0.171 0.000 2.118 380 I HA -0.312 3.859 4.170 0.002 0.000 0.241 380 I C 2.147 178.371 176.117 0.179 0.000 1.070 380 I CA 2.072 63.465 61.300 0.156 0.000 1.327 380 I CB -1.422 36.668 38.000 0.149 0.000 1.034 380 I HN 0.847 nan 8.210 nan 0.000 0.405 381 Y N 1.834 122.204 120.300 0.116 0.000 2.165 381 Y HA -0.251 4.300 4.550 0.003 0.000 0.286 381 Y C 2.597 178.569 175.900 0.120 0.000 1.155 381 Y CA 2.210 60.362 58.100 0.086 0.000 1.164 381 Y CB -0.129 38.376 38.460 0.074 0.000 0.978 381 Y HN 0.128 nan 8.280 nan 0.000 0.513 382 A N 0.429 123.516 122.820 0.444 0.000 1.933 382 A HA -0.217 4.104 4.320 0.002 0.000 0.218 382 A C 2.376 180.075 177.584 0.191 0.000 1.175 382 A CA 1.713 53.959 52.037 0.348 0.000 0.628 382 A CB -0.860 18.385 19.000 0.408 0.000 0.814 382 A HN 0.693 nan 8.150 nan 0.000 0.444 383 M N -0.358 119.343 119.600 0.167 0.000 2.065 383 M HA -0.131 4.351 4.480 0.002 0.000 0.259 383 M C 2.152 178.684 176.300 0.385 0.000 1.071 383 M CA 2.063 57.515 55.300 0.253 0.000 1.109 383 M CB -0.551 32.094 32.600 0.074 0.000 1.313 383 M HN 0.412 nan 8.290 nan 0.000 0.408 384 G N 0.133 109.051 108.800 0.196 0.000 2.485 384 G HA2 -0.218 3.743 3.960 0.002 0.000 0.221 384 G HA3 -0.218 3.743 3.960 0.002 0.000 0.221 384 G C 1.398 176.277 174.900 -0.035 0.000 1.115 384 G CA 0.695 45.812 45.100 0.028 0.000 0.751 384 G HN 0.402 nan 8.290 nan 0.000 0.567 385 R N 0.297 120.755 120.500 -0.069 0.000 2.276 385 R HA 0.098 4.439 4.340 0.002 0.000 0.196 385 R C 0.123 176.446 176.300 0.038 0.000 0.961 385 R CA -0.172 55.892 56.100 -0.061 0.000 1.024 385 R CB -0.237 29.988 30.300 -0.125 0.000 0.940 385 R HN 0.279 nan 8.270 nan 0.000 0.480 386 D N 2.338 122.792 120.400 0.090 0.000 2.350 386 D HA 0.055 4.696 4.640 0.002 0.000 0.249 386 D C -1.565 174.660 176.300 -0.126 0.000 1.119 386 D CA -1.939 52.016 54.000 -0.074 0.000 0.886 386 D CB 1.939 42.601 40.800 -0.230 0.000 1.195 386 D HN -0.040 nan 8.370 nan 0.000 0.437 387 P HA 0.104 nan 4.420 nan 0.000 0.255 387 P C 0.400 177.551 177.300 -0.248 0.000 1.248 387 P CA 0.105 63.126 63.100 -0.133 0.000 0.807 387 P CB 0.418 32.059 31.700 -0.097 0.000 1.150 388 A N -1.339 121.154 122.820 -0.545 0.000 2.251 388 A HA 0.187 4.508 4.320 0.002 0.000 0.209 388 A C 1.134 178.371 177.584 -0.578 0.000 1.187 388 A CA 0.458 52.135 52.037 -0.601 0.000 0.823 388 A CB -0.805 17.714 19.000 -0.801 0.000 0.846 388 A HN 0.048 nan 8.150 nan 0.000 0.486 389 F N -2.392 117.394 119.950 -0.274 0.000 2.711 389 F HA 0.435 4.963 4.527 0.001 0.000 0.296 389 F C -0.177 175.104 175.800 -0.864 0.000 1.096 389 F CA -0.945 56.667 58.000 -0.645 0.000 1.280 389 F CB 0.224 38.717 39.000 -0.844 0.000 1.060 389 F HN 0.047 nan 8.300 nan 0.000 0.608 390 F N 0.436 120.403 119.950 0.028 0.000 2.730 390 F HA 0.349 4.877 4.527 0.001 0.000 0.335 390 F C 0.253 176.019 175.800 -0.056 0.000 1.212 390 F CA -1.485 56.495 58.000 -0.033 0.000 1.016 390 F CB 1.207 40.196 39.000 -0.018 0.000 1.290 390 F HN -0.242 nan 8.300 nan 0.000 0.495 391 S N 1.062 116.812 115.700 0.084 0.000 2.568 391 S HA 0.225 4.696 4.470 0.002 0.000 0.282 391 S C 0.524 175.152 174.600 0.047 0.000 1.338 391 S CA -0.460 57.760 58.200 0.035 0.000 1.045 391 S CB 0.911 64.115 63.200 0.007 0.000 0.873 391 S HN 0.773 nan 8.310 nan 0.000 0.516 392 S N 2.837 118.554 115.700 0.029 0.000 3.405 392 S HA -0.060 4.411 4.470 0.002 0.000 0.373 392 S C -1.292 173.330 174.600 0.038 0.000 0.939 392 S CA 0.532 58.751 58.200 0.030 0.000 1.295 392 S CB -1.132 62.085 63.200 0.028 0.000 0.919 392 S HN 0.855 nan 8.310 nan 0.000 0.535 393 P HA -0.038 nan 4.420 nan 0.000 0.231 393 P C 0.479 177.778 177.300 -0.002 0.000 1.158 393 P CA 0.901 64.022 63.100 0.034 0.000 0.763 393 P CB 0.056 31.788 31.700 0.054 0.000 0.805 394 D N -0.594 119.821 120.400 0.026 0.000 2.271 394 D HA -0.018 4.623 4.640 0.002 0.000 0.206 394 D C 0.953 177.298 176.300 0.076 0.000 0.967 394 D CA 0.651 54.680 54.000 0.048 0.000 0.867 394 D CB -0.299 40.539 40.800 0.064 0.000 0.960 394 D HN 0.164 nan 8.370 nan 0.000 0.509 395 K N 0.657 121.097 120.400 0.066 0.000 2.368 395 K HA 0.068 4.389 4.320 0.002 0.000 0.282 395 K C -0.809 175.866 176.600 0.126 0.000 1.035 395 K CA -0.376 55.968 56.287 0.095 0.000 0.973 395 K CB 0.279 32.817 32.500 0.063 0.000 0.957 395 K HN -0.068 nan 8.250 nan 0.000 0.474 396 F N 5.218 125.178 119.950 0.018 0.000 2.368 396 F HA 0.160 4.688 4.527 0.002 0.000 0.362 396 F C -0.552 175.268 175.800 0.033 0.000 1.137 396 F CA -0.334 57.678 58.000 0.021 0.000 1.161 396 F CB 0.502 39.519 39.000 0.028 0.000 1.265 396 F HN 0.444 nan 8.300 nan 0.000 0.530 397 D N 8.525 128.778 120.400 -0.244 0.000 2.389 397 D HA 0.307 4.948 4.640 0.002 0.000 0.256 397 D C -2.295 173.892 176.300 -0.188 0.000 1.239 397 D CA -2.221 51.698 54.000 -0.134 0.000 0.925 397 D CB 2.062 42.831 40.800 -0.052 0.000 1.145 397 D HN 0.199 nan 8.370 nan 0.000 0.542 398 P HA -0.094 nan 4.420 nan 0.000 0.228 398 P C 1.433 178.779 177.300 0.077 0.000 1.151 398 P CA 1.126 64.206 63.100 -0.033 0.000 0.770 398 P CB 0.209 31.909 31.700 0.000 0.000 0.786 399 T N -2.199 112.361 114.554 0.010 0.000 2.746 399 T HA -0.195 4.156 4.350 0.002 0.000 0.267 399 T C 1.793 176.445 174.700 -0.080 0.000 1.039 399 T CA 0.909 63.009 62.100 0.000 0.000 1.142 399 T CB -0.876 67.986 68.868 -0.010 0.000 0.866 399 T HN 0.068 nan 8.240 nan 0.000 0.444 400 R N 0.143 120.509 120.500 -0.222 0.000 2.257 400 R HA -0.168 4.173 4.340 0.002 0.000 0.265 400 R C 1.205 177.045 176.300 -0.768 0.000 1.191 400 R CA 2.109 57.882 56.100 -0.546 0.000 1.010 400 R CB -0.506 29.306 30.300 -0.814 0.000 0.883 400 R HN 0.622 nan 8.270 nan 0.000 0.473 401 W N -1.408 119.893 121.300 0.001 0.000 2.966 401 W HA 0.237 4.900 4.660 0.006 0.000 0.406 401 W C 0.679 177.226 176.519 0.046 0.000 1.027 401 W CA -0.658 56.694 57.345 0.013 0.000 1.930 401 W CB 0.455 29.914 29.460 -0.001 0.000 1.144 401 W HN -0.042 nan 8.180 nan 0.000 0.626 402 L N -1.007 120.309 121.223 0.155 0.000 2.488 402 L HA 0.176 4.517 4.340 0.002 0.000 0.186 402 L C 2.371 179.325 176.870 0.140 0.000 1.124 402 L CA 0.984 55.914 54.840 0.150 0.000 0.838 402 L CB -1.410 40.714 42.059 0.108 0.000 1.107 402 L HN -0.183 nan 8.230 nan 0.000 0.494 403 S N 1.153 116.902 115.700 0.083 0.000 2.093 403 S HA -0.386 4.085 4.470 0.002 0.000 0.478 403 S C 0.817 175.475 174.600 0.096 0.000 0.965 403 S CA 2.774 61.021 58.200 0.077 0.000 2.887 403 S CB -0.649 62.576 63.200 0.042 0.000 2.067 403 S HN 0.528 nan 8.310 nan 0.000 0.521 404 K N 0.404 120.888 120.400 0.139 0.000 2.948 404 K HA -0.250 4.071 4.320 0.002 0.000 0.253 404 K C -0.255 176.366 176.600 0.035 0.000 0.970 404 K CA 1.485 57.819 56.287 0.079 0.000 0.716 404 K CB -1.772 30.717 32.500 -0.019 0.000 1.249 404 K HN 0.352 nan 8.250 nan 0.000 0.483 405 D N 0.615 121.038 120.400 0.039 0.000 2.652 405 D HA 0.013 4.654 4.640 0.002 0.000 0.261 405 D C 1.159 177.470 176.300 0.020 0.000 1.024 405 D CA 1.456 55.471 54.000 0.025 0.000 0.958 405 D CB 0.187 41.002 40.800 0.025 0.000 1.113 405 D HN 0.640 nan 8.370 nan 0.000 0.471 406 K N -0.266 120.147 120.400 0.022 0.000 2.562 406 K HA 0.287 4.608 4.320 0.002 0.000 0.201 406 K C -0.753 175.859 176.600 0.019 0.000 1.131 406 K CA -0.367 55.930 56.287 0.016 0.000 1.059 406 K CB 0.600 33.107 32.500 0.012 0.000 0.913 406 K HN -0.239 nan 8.250 nan 0.000 0.563 407 D N 2.003 122.422 120.400 0.031 0.000 2.342 407 D HA 0.067 4.708 4.640 0.002 0.000 0.260 407 D C 0.824 177.150 176.300 0.043 0.000 1.278 407 D CA 0.019 54.042 54.000 0.039 0.000 0.910 407 D CB 0.932 41.776 40.800 0.074 0.000 1.079 407 D HN 0.119 nan 8.370 nan 0.000 0.496 408 L N 3.034 124.274 121.223 0.028 0.000 2.017 408 L HA -0.026 4.315 4.340 0.002 0.000 0.208 408 L C 0.677 177.573 176.870 0.044 0.000 1.073 408 L CA 0.977 55.833 54.840 0.027 0.000 0.745 408 L CB 0.114 42.182 42.059 0.014 0.000 0.894 408 L HN 0.438 nan 8.230 nan 0.000 0.432 409 I N -1.852 118.746 120.570 0.048 0.000 2.569 409 I HA 0.280 4.451 4.170 0.002 0.000 0.296 409 I C -0.633 175.553 176.117 0.115 0.000 1.028 409 I CA -0.401 60.943 61.300 0.073 0.000 1.082 409 I CB 1.560 39.582 38.000 0.037 0.000 1.264 409 I HN -0.037 nan 8.210 nan 0.000 0.429 410 H N 7.443 126.541 119.070 0.047 0.000 2.970 410 H HA 0.335 4.892 4.556 0.001 0.000 0.315 410 H C -2.089 173.300 175.328 0.102 0.000 0.992 410 H CA -0.439 55.641 56.048 0.053 0.000 1.363 410 H CB 0.944 30.727 29.762 0.036 0.000 1.532 410 H HN 0.599 nan 8.280 nan 0.000 0.514 411 F N 4.228 124.024 119.950 -0.257 0.000 2.458 411 F HA 0.519 5.046 4.527 0.001 0.000 0.330 411 F C -0.263 175.452 175.800 -0.142 0.000 1.082 411 F CA -0.657 57.238 58.000 -0.176 0.000 0.995 411 F CB 1.048 39.948 39.000 -0.168 0.000 1.170 411 F HN 0.436 nan 8.300 nan 0.000 0.478 412 R N 3.033 123.051 120.500 -0.804 0.000 2.732 412 R HA 0.226 4.567 4.340 0.002 0.000 0.278 412 R C -0.555 175.614 176.300 -0.218 0.000 0.976 412 R CA -1.118 54.796 56.100 -0.311 0.000 0.963 412 R CB 1.448 31.600 30.300 -0.247 0.000 1.150 412 R HN 0.668 nan 8.270 nan 0.000 0.478 413 N N 2.115 120.867 118.700 0.087 0.000 2.479 413 N HA 0.007 4.748 4.740 0.002 0.000 0.257 413 N C -0.072 175.482 175.510 0.074 0.000 1.232 413 N CA 0.327 53.359 53.050 -0.029 0.000 0.920 413 N CB 0.781 39.056 38.487 -0.353 0.000 1.105 413 N HN 0.428 nan 8.380 nan 0.000 0.444 414 L N 2.366 123.645 121.223 0.093 0.000 3.069 414 L HA 0.285 4.626 4.340 0.002 0.000 0.271 414 L C 2.093 179.037 176.870 0.124 0.000 1.201 414 L CA -0.297 54.642 54.840 0.164 0.000 1.015 414 L CB 0.455 42.624 42.059 0.184 0.000 1.371 414 L HN 0.696 nan 8.230 nan 0.000 0.574 415 G N 0.780 109.594 108.800 0.023 0.000 2.545 415 G HA2 -0.294 3.667 3.960 0.002 0.000 0.222 415 G HA3 -0.294 3.667 3.960 0.002 0.000 0.222 415 G C 1.125 175.857 174.900 -0.280 0.000 1.126 415 G CA 1.247 46.242 45.100 -0.175 0.000 0.754 415 G HN 0.401 nan 8.290 nan 0.000 0.583 416 F N 0.406 120.406 119.950 0.084 0.000 2.678 416 F HA 0.446 4.974 4.527 0.001 0.000 0.305 416 F C 1.604 177.483 175.800 0.131 0.000 1.090 416 F CA 0.255 58.313 58.000 0.096 0.000 1.272 416 F CB 0.861 39.899 39.000 0.064 0.000 1.060 416 F HN 0.465 nan 8.300 nan 0.000 0.576 417 G N 0.069 109.054 108.800 0.308 0.000 2.443 417 G HA2 -0.169 3.792 3.960 0.002 0.000 0.209 417 G HA3 -0.169 3.792 3.960 0.002 0.000 0.209 417 G C -1.455 173.665 174.900 0.366 0.000 1.176 417 G CA -0.442 44.845 45.100 0.312 0.000 1.074 417 G HN 0.212 nan 8.290 nan 0.000 0.577 418 W N 0.484 121.747 121.300 -0.063 0.000 3.464 418 W HA 0.467 5.128 4.660 0.002 0.000 0.292 418 W C 0.781 177.191 176.519 -0.182 0.000 1.262 418 W CA 0.823 57.989 57.345 -0.298 0.000 1.202 418 W CB 1.013 29.941 29.460 -0.887 0.000 1.334 418 W HN 2.509 nan 8.180 nan 0.000 0.561 419 G N 1.489 109.880 108.800 -0.683 0.000 2.575 419 G HA2 -0.283 3.678 3.960 0.002 0.000 0.267 419 G HA3 -0.283 3.678 3.960 0.002 0.000 0.267 419 G C 0.609 175.452 174.900 -0.096 0.000 1.264 419 G CA 1.296 46.204 45.100 -0.320 0.000 0.935 419 G HN 1.383 nan 8.290 nan 0.000 0.568 420 V N -2.416 117.544 119.914 0.076 0.000 2.626 420 V HA 0.167 4.288 4.120 0.002 0.000 0.252 420 V C 2.203 178.516 176.094 0.365 0.000 1.067 420 V CA 2.763 65.188 62.300 0.208 0.000 1.081 420 V CB -0.451 31.594 31.823 0.370 0.000 0.686 420 V HN 0.704 nan 8.190 nan 0.000 0.468 421 R N 1.205 121.885 120.500 0.299 0.000 2.507 421 R HA 0.233 4.574 4.340 0.002 0.000 0.298 421 R C 1.096 177.526 176.300 0.216 0.000 0.999 421 R CA -0.219 56.050 56.100 0.282 0.000 1.082 421 R CB -0.042 30.255 30.300 -0.005 0.000 1.246 421 R HN 0.866 nan 8.270 nan 0.000 0.553 422 Q N -0.259 119.648 119.800 0.178 0.000 2.539 422 Q HA -0.091 4.250 4.340 0.002 0.000 0.268 422 Q C -0.122 175.988 176.000 0.183 0.000 1.109 422 Q CA 0.012 55.915 55.803 0.167 0.000 0.968 422 Q CB 0.553 29.340 28.738 0.081 0.000 1.309 422 Q HN 0.217 nan 8.270 nan 0.000 0.497 423 C N 2.935 122.365 119.300 0.218 0.000 2.519 423 C HA 0.038 4.499 4.460 0.002 0.000 0.402 423 C C 1.757 176.838 174.990 0.152 0.000 1.475 423 C CA -0.099 59.054 59.018 0.225 0.000 1.504 423 C CB -1.122 26.833 27.740 0.359 0.000 2.454 423 C HN 0.697 nan 8.230 nan 0.000 0.615 424 V N 5.672 125.667 119.914 0.134 0.000 2.720 424 V HA 0.001 4.122 4.120 0.002 0.000 0.256 424 V C 2.290 178.416 176.094 0.053 0.000 1.082 424 V CA 2.072 64.421 62.300 0.082 0.000 1.101 424 V CB -1.305 30.568 31.823 0.085 0.000 0.693 424 V HN 1.061 nan 8.190 nan 0.000 0.479 425 G N -0.330 108.519 108.800 0.082 0.000 3.042 425 G HA2 -0.033 3.928 3.960 0.002 0.000 0.212 425 G HA3 -0.033 3.928 3.960 0.002 0.000 0.212 425 G C 1.480 176.392 174.900 0.019 0.000 1.166 425 G CA 0.244 45.378 45.100 0.056 0.000 0.767 425 G HN 0.433 nan 8.290 nan 0.000 0.546 426 R N 0.300 120.773 120.500 -0.045 0.000 2.115 426 R HA -0.159 4.182 4.340 0.002 0.000 0.239 426 R C 2.567 178.660 176.300 -0.346 0.000 1.133 426 R CA 1.474 57.337 56.100 -0.394 0.000 0.935 426 R CB -0.109 29.904 30.300 -0.479 0.000 0.853 426 R HN 0.114 nan 8.270 nan 0.000 0.433 427 R N 0.572 120.965 120.500 -0.177 0.000 2.061 427 R HA -0.072 4.269 4.340 0.002 0.000 0.230 427 R C 2.407 178.684 176.300 -0.038 0.000 1.140 427 R CA 1.632 57.671 56.100 -0.101 0.000 0.940 427 R CB -0.991 29.293 30.300 -0.027 0.000 0.839 427 R HN 0.403 nan 8.270 nan 0.000 0.429 428 I N 0.911 121.473 120.570 -0.013 0.000 2.290 428 I HA -0.337 3.834 4.170 0.002 0.000 0.253 428 I C 2.308 178.403 176.117 -0.038 0.000 1.112 428 I CA 1.728 62.988 61.300 -0.067 0.000 1.377 428 I CB -0.423 37.486 38.000 -0.153 0.000 1.060 428 I HN 0.148 nan 8.210 nan 0.000 0.428 429 A N -0.051 122.766 122.820 -0.006 0.000 1.975 429 A HA -0.095 4.226 4.320 0.002 0.000 0.215 429 A C 2.166 179.803 177.584 0.088 0.000 1.170 429 A CA 0.891 52.979 52.037 0.085 0.000 0.656 429 A CB -0.256 18.891 19.000 0.245 0.000 0.821 429 A HN 0.406 nan 8.150 nan 0.000 0.449 430 E N -0.683 119.512 120.200 -0.009 0.000 2.112 430 E HA -0.071 4.280 4.350 0.002 0.000 0.190 430 E C 1.878 178.507 176.600 0.048 0.000 0.979 430 E CA 0.894 57.303 56.400 0.014 0.000 0.814 430 E CB -0.115 29.533 29.700 -0.087 0.000 0.762 430 E HN 0.490 nan 8.360 nan 0.000 0.460 431 L N 1.515 122.758 121.223 0.035 0.000 2.072 431 L HA -0.108 4.233 4.340 0.002 0.000 0.205 431 L C 2.167 179.086 176.870 0.083 0.000 1.079 431 L CA 1.788 56.662 54.840 0.057 0.000 0.752 431 L CB -0.221 41.880 42.059 0.069 0.000 0.906 431 L HN 0.030 nan 8.230 nan 0.000 0.436 432 E N -0.745 119.500 120.200 0.076 0.000 2.209 432 E HA -0.236 4.115 4.350 0.002 0.000 0.196 432 E C 1.853 178.602 176.600 0.248 0.000 0.993 432 E CA 1.557 58.029 56.400 0.121 0.000 0.819 432 E CB -0.037 29.687 29.700 0.039 0.000 0.745 432 E HN 0.615 nan 8.360 nan 0.000 0.477 433 M N -1.212 118.499 119.600 0.185 0.000 2.514 433 M HA 0.053 4.534 4.480 0.002 0.000 0.258 433 M C 1.889 178.284 176.300 0.159 0.000 1.159 433 M CA 0.390 55.799 55.300 0.182 0.000 1.116 433 M CB 0.598 33.287 32.600 0.147 0.000 1.333 433 M HN -0.055 nan 8.290 nan 0.000 0.487 434 T N 1.367 115.995 114.554 0.123 0.000 2.851 434 T HA 0.081 4.432 4.350 0.002 0.000 0.262 434 T C 1.792 176.519 174.700 0.045 0.000 1.043 434 T CA 0.841 62.989 62.100 0.081 0.000 1.140 434 T CB -0.078 68.830 68.868 0.066 0.000 0.872 434 T HN 0.289 nan 8.240 nan 0.000 0.446 435 L N 0.120 121.381 121.223 0.063 0.000 2.450 435 L HA 0.037 4.378 4.340 0.002 0.000 0.224 435 L C 1.950 178.815 176.870 -0.007 0.000 1.149 435 L CA 1.077 55.915 54.840 -0.003 0.000 0.816 435 L CB -0.352 41.758 42.059 0.086 0.000 0.932 435 L HN 0.277 nan 8.230 nan 0.000 0.449 436 F N -0.405 119.503 119.950 -0.070 0.000 2.656 436 F HA 0.075 4.603 4.527 0.001 0.000 0.291 436 F C 1.816 177.512 175.800 -0.173 0.000 1.122 436 F CA 0.527 58.416 58.000 -0.184 0.000 1.427 436 F CB 0.337 39.121 39.000 -0.359 0.000 1.125 436 F HN -0.138 nan 8.300 nan 0.000 0.583 437 L N -0.214 121.027 121.223 0.030 0.000 2.529 437 L HA -0.005 4.337 4.340 0.002 0.000 0.223 437 L C 1.944 178.781 176.870 -0.055 0.000 1.113 437 L CA -0.225 54.595 54.840 -0.033 0.000 0.861 437 L CB -0.218 41.810 42.059 -0.052 0.000 1.012 437 L HN 0.110 nan 8.230 nan 0.000 0.461 438 I N -0.015 120.487 120.570 -0.114 0.000 2.163 438 I HA -0.232 3.939 4.170 0.002 0.000 0.240 438 I C 1.224 177.300 176.117 -0.067 0.000 1.081 438 I CA 1.572 62.787 61.300 -0.140 0.000 1.353 438 I CB -0.919 36.905 38.000 -0.293 0.000 1.054 438 I HN 0.328 nan 8.210 nan 0.000 0.407 439 H N 0.234 119.261 119.070 -0.073 0.000 2.557 439 H HA 0.295 4.852 4.556 0.002 0.000 0.236 439 H C 0.791 176.028 175.328 -0.150 0.000 1.676 439 H CA -0.302 55.685 56.048 -0.102 0.000 1.197 439 H CB 0.793 30.494 29.762 -0.101 0.000 1.604 439 H HN 0.162 nan 8.280 nan 0.000 0.509 440 I N -0.641 119.946 120.570 0.029 0.000 4.578 440 I HA -0.124 4.047 4.170 0.002 0.000 0.296 440 I C 1.216 177.443 176.117 0.183 0.000 1.136 440 I CA 0.261 61.632 61.300 0.118 0.000 1.344 440 I CB 0.069 38.060 38.000 -0.014 0.000 1.712 440 I HN 0.292 nan 8.210 nan 0.000 0.460 441 L N 1.105 122.396 121.223 0.113 0.000 2.552 441 L HA 0.037 4.378 4.340 0.002 0.000 0.227 441 L C 2.058 178.986 176.870 0.098 0.000 1.146 441 L CA 1.116 56.030 54.840 0.123 0.000 0.858 441 L CB -0.167 41.955 42.059 0.105 0.000 0.969 441 L HN 0.222 nan 8.230 nan 0.000 0.451 442 E N -0.339 119.905 120.200 0.074 0.000 2.216 442 E HA -0.045 4.306 4.350 0.002 0.000 0.192 442 E C 1.238 177.828 176.600 -0.016 0.000 0.973 442 E CA 0.440 56.872 56.400 0.053 0.000 0.851 442 E CB 0.385 30.133 29.700 0.081 0.000 0.804 442 E HN 0.440 nan 8.360 nan 0.000 0.477 443 N N -1.334 117.290 118.700 -0.127 0.000 2.273 443 N HA 0.164 4.905 4.740 0.002 0.000 0.192 443 N C -0.725 174.396 175.510 -0.648 0.000 1.132 443 N CA 0.294 53.073 53.050 -0.452 0.000 0.887 443 N CB 0.683 38.693 38.487 -0.795 0.000 1.048 443 N HN -0.024 nan 8.380 nan 0.000 0.490 444 F N -0.344 119.655 119.950 0.083 0.000 2.691 444 F HA 0.546 5.074 4.527 0.001 0.000 0.334 444 F C 0.107 176.014 175.800 0.179 0.000 1.107 444 F CA -1.112 56.977 58.000 0.147 0.000 0.991 444 F CB 1.435 40.544 39.000 0.183 0.000 1.400 444 F HN -0.460 nan 8.300 nan 0.000 0.503 445 K N 1.066 121.734 120.400 0.446 0.000 2.422 445 K HA 0.668 4.989 4.320 0.002 0.000 0.251 445 K C -1.959 174.776 176.600 0.224 0.000 0.933 445 K CA -0.539 55.903 56.287 0.259 0.000 0.798 445 K CB 2.224 34.828 32.500 0.174 0.000 1.238 445 K HN 0.431 nan 8.250 nan 0.000 0.428 446 V N 4.024 123.992 119.914 0.091 0.000 2.407 446 V HA 0.429 4.550 4.120 0.002 0.000 0.291 446 V C -0.315 175.709 176.094 -0.117 0.000 1.018 446 V CA -0.679 61.561 62.300 -0.100 0.000 0.842 446 V CB 1.459 33.203 31.823 -0.133 0.000 0.996 446 V HN 0.752 nan 8.190 nan 0.000 0.426 447 E N 4.054 124.162 120.200 -0.154 0.000 2.404 447 E HA 0.751 5.102 4.350 0.002 0.000 0.264 447 E C -1.157 175.354 176.600 -0.149 0.000 0.946 447 E CA -1.067 55.259 56.400 -0.124 0.000 0.806 447 E CB 2.440 32.095 29.700 -0.076 0.000 1.334 447 E HN 0.491 nan 8.360 nan 0.000 0.429 448 M N 1.228 120.757 119.600 -0.118 0.000 2.326 448 M HA 0.206 4.687 4.480 0.002 0.000 0.306 448 M C 0.416 176.655 176.300 -0.100 0.000 1.054 448 M CA -0.380 54.864 55.300 -0.093 0.000 0.922 448 M CB 2.129 34.688 32.600 -0.068 0.000 1.632 448 M HN 0.479 nan 8.290 nan 0.000 0.436 449 Q N 0.996 120.721 119.800 -0.126 0.000 2.096 449 Q HA -0.165 4.176 4.340 0.002 0.000 0.208 449 Q C 0.326 176.097 176.000 -0.381 0.000 0.993 449 Q CA 1.499 57.147 55.803 -0.259 0.000 0.862 449 Q CB 0.105 28.659 28.738 -0.307 0.000 0.915 449 Q HN 0.515 nan 8.270 nan 0.000 0.416 450 H N -1.578 117.475 119.070 -0.028 0.000 2.713 450 H HA 0.363 4.920 4.556 0.001 0.000 0.340 450 H C -0.056 175.264 175.328 -0.013 0.000 1.271 450 H CA -0.922 55.116 56.048 -0.018 0.000 1.306 450 H CB 0.659 30.414 29.762 -0.013 0.000 1.839 450 H HN 0.004 nan 8.280 nan 0.000 0.627 451 I N 0.546 121.217 120.570 0.169 0.000 2.720 451 I HA 0.133 4.304 4.170 0.002 0.000 0.287 451 I C 1.344 177.522 176.117 0.102 0.000 1.090 451 I CA -0.134 61.216 61.300 0.084 0.000 1.384 451 I CB 0.624 38.664 38.000 0.068 0.000 1.420 451 I HN 0.468 nan 8.210 nan 0.000 0.575 452 G N 2.560 111.407 108.800 0.079 0.000 2.503 452 G HA2 0.308 4.269 3.960 0.002 0.000 0.257 452 G HA3 0.308 4.269 3.960 0.002 0.000 0.257 452 G C 0.077 175.119 174.900 0.238 0.000 1.214 452 G CA -0.181 45.039 45.100 0.200 0.000 0.839 452 G HN 0.943 nan 8.290 nan 0.000 0.559 453 D N -0.355 120.220 120.400 0.292 0.000 2.601 453 D HA -0.100 4.541 4.640 0.002 0.000 0.350 453 D C -0.173 176.252 176.300 0.209 0.000 1.386 453 D CA -0.197 53.929 54.000 0.210 0.000 0.929 453 D CB -0.288 40.591 40.800 0.132 0.000 1.456 453 D HN 0.249 nan 8.370 nan 0.000 0.430 454 V N 1.565 121.618 119.914 0.231 0.000 2.572 454 V HA 0.253 4.374 4.120 0.002 0.000 0.291 454 V C 0.211 176.455 176.094 0.250 0.000 1.039 454 V CA 0.524 62.910 62.300 0.144 0.000 1.055 454 V CB 1.184 32.962 31.823 -0.074 0.000 0.969 454 V HN 0.108 nan 8.190 nan 0.000 0.482 455 D N 1.572 122.139 120.400 0.278 0.000 2.449 455 D HA 0.550 5.191 4.640 0.002 0.000 0.250 455 D C -0.032 176.522 176.300 0.424 0.000 1.050 455 D CA -0.182 54.048 54.000 0.383 0.000 1.024 455 D CB 1.906 42.935 40.800 0.382 0.000 1.218 455 D HN 0.651 nan 8.370 nan 0.000 0.566 456 T N -0.006 114.833 114.554 0.474 0.000 2.925 456 T HA 0.680 5.031 4.350 0.002 0.000 0.285 456 T C -0.534 174.395 174.700 0.382 0.000 1.021 456 T CA -0.586 61.736 62.100 0.371 0.000 1.042 456 T CB 0.457 69.461 68.868 0.226 0.000 1.037 456 T HN 0.310 nan 8.240 nan 0.000 0.481 457 I N 2.754 123.471 120.570 0.246 0.000 3.174 457 I HA 0.672 4.843 4.170 0.002 0.000 0.313 457 I C -1.783 174.419 176.117 0.142 0.000 1.155 457 I CA -1.554 59.935 61.300 0.315 0.000 0.977 457 I CB 2.296 40.471 38.000 0.292 0.000 1.248 457 I HN 0.776 nan 8.210 nan 0.000 0.453 458 F N 5.160 125.163 119.950 0.088 0.000 2.444 458 F HA 0.529 5.057 4.527 0.001 0.000 0.342 458 F C -0.667 175.130 175.800 -0.005 0.000 1.121 458 F CA -0.418 57.562 58.000 -0.033 0.000 0.997 458 F CB 0.897 39.904 39.000 0.011 0.000 1.130 458 F HN 0.329 nan 8.300 nan 0.000 0.454 459 N N 8.819 126.964 118.700 -0.925 0.000 2.651 459 N HA 0.160 4.901 4.740 0.002 0.000 0.277 459 N C 0.189 175.167 175.510 -0.886 0.000 1.787 459 N CA -0.010 52.603 53.050 -0.729 0.000 0.818 459 N CB 1.198 39.510 38.487 -0.291 0.000 1.316 459 N HN 0.816 nan 8.380 nan 0.000 0.503 460 L N -0.580 119.737 121.223 -1.510 0.000 3.566 460 L HA -0.264 4.077 4.340 0.002 0.000 0.071 460 L C 0.035 176.455 176.870 -0.751 0.000 4.379 460 L CA 1.845 56.219 54.840 -0.777 0.000 0.580 460 L CB -1.145 40.682 42.059 -0.386 0.000 3.524 460 L HN 0.408 nan 8.230 nan 0.000 0.876 461 I N 0.387 120.514 120.570 -0.739 0.000 2.612 461 I HA 0.415 4.586 4.170 0.002 0.000 0.295 461 I C 0.625 176.545 176.117 -0.328 0.000 1.011 461 I CA -0.773 60.264 61.300 -0.439 0.000 1.326 461 I CB 0.890 38.669 38.000 -0.369 0.000 1.427 461 I HN 0.260 nan 8.210 nan 0.000 0.537 462 L N 4.147 125.280 121.223 -0.151 0.000 2.436 462 L HA 0.527 4.868 4.340 0.002 0.000 0.265 462 L C 0.270 177.182 176.870 0.069 0.000 1.168 462 L CA 0.020 54.797 54.840 -0.105 0.000 0.815 462 L CB 1.371 43.369 42.059 -0.101 0.000 1.109 462 L HN 0.930 nan 8.230 nan 0.000 0.462 463 T N -0.786 113.857 114.554 0.148 0.000 2.821 463 T HA 0.481 4.832 4.350 0.002 0.000 0.306 463 T C -2.950 171.964 174.700 0.357 0.000 1.313 463 T CA -1.680 60.600 62.100 0.301 0.000 1.012 463 T CB 1.823 70.839 68.868 0.247 0.000 1.298 463 T HN 0.229 nan 8.240 nan 0.000 0.502 464 P HA 0.267 nan 4.420 nan 0.000 0.274 464 P C -0.140 177.233 177.300 0.122 0.000 1.237 464 P CA -0.111 63.114 63.100 0.208 0.000 0.793 464 P CB 0.798 32.261 31.700 -0.395 0.000 0.977 465 D N 0.917 121.404 120.400 0.145 0.000 2.216 465 D HA -0.041 4.600 4.640 0.002 0.000 0.208 465 D C 0.100 176.450 176.300 0.083 0.000 0.960 465 D CA 1.361 55.447 54.000 0.144 0.000 0.861 465 D CB -0.355 40.558 40.800 0.189 0.000 0.985 465 D HN 0.357 nan 8.370 nan 0.000 0.493 466 K N 0.783 121.210 120.400 0.046 0.000 2.168 466 K HA 0.511 4.832 4.320 0.002 0.000 0.239 466 K C -2.464 174.106 176.600 -0.049 0.000 0.999 466 K CA -2.025 54.277 56.287 0.026 0.000 0.900 466 K CB 0.737 33.273 32.500 0.058 0.000 1.111 466 K HN -0.027 nan 8.250 nan 0.000 0.452 467 P HA 0.180 nan 4.420 nan 0.000 0.280 467 P C -0.729 176.453 177.300 -0.197 0.000 1.244 467 P CA -0.064 62.929 63.100 -0.177 0.000 0.784 467 P CB 0.521 32.117 31.700 -0.173 0.000 0.913 468 I N 3.051 123.413 120.570 -0.347 0.000 2.396 468 I HA 0.236 4.407 4.170 0.002 0.000 0.292 468 I C 0.177 176.067 176.117 -0.377 0.000 0.999 468 I CA -0.484 60.666 61.300 -0.250 0.000 1.310 468 I CB 0.299 38.114 38.000 -0.308 0.000 1.404 468 I HN 0.191 nan 8.210 nan 0.000 0.496 469 F N 6.692 126.581 119.950 -0.103 0.000 2.307 469 F HA 0.407 4.935 4.527 0.001 0.000 0.369 469 F C -0.092 175.609 175.800 -0.166 0.000 1.076 469 F CA -0.424 57.494 58.000 -0.135 0.000 1.149 469 F CB 0.624 39.557 39.000 -0.112 0.000 1.410 469 F HN 0.169 nan 8.300 nan 0.000 0.481 470 L N 3.592 124.728 121.223 -0.145 0.000 2.349 470 L HA 0.406 4.747 4.340 0.002 0.000 0.275 470 L C -0.214 176.455 176.870 -0.335 0.000 1.115 470 L CA -0.789 53.885 54.840 -0.276 0.000 0.820 470 L CB 1.196 43.006 42.059 -0.415 0.000 1.135 470 L HN 0.149 nan 8.230 nan 0.000 0.445 471 V N 4.211 123.930 119.914 -0.326 0.000 2.318 471 V HA 0.285 4.406 4.120 0.002 0.000 0.271 471 V C -0.095 175.845 176.094 -0.257 0.000 1.030 471 V CA -0.314 61.857 62.300 -0.216 0.000 0.844 471 V CB 0.763 32.512 31.823 -0.123 0.000 1.015 471 V HN 0.343 nan 8.190 nan 0.000 0.460 472 F N 4.240 124.205 119.950 0.025 0.000 2.375 472 F HA 0.645 5.173 4.527 0.002 0.000 0.333 472 F C 0.668 176.550 175.800 0.137 0.000 1.104 472 F CA -0.503 57.525 58.000 0.047 0.000 1.149 472 F CB 0.966 39.908 39.000 -0.098 0.000 1.190 472 F HN 0.288 nan 8.300 nan 0.000 0.533 473 R N 3.431 124.199 120.500 0.446 0.000 2.695 473 R HA 0.355 4.696 4.340 0.002 0.000 0.288 473 R C -3.044 173.489 176.300 0.388 0.000 1.344 473 R CA -1.759 54.548 56.100 0.345 0.000 1.005 473 R CB 1.380 31.808 30.300 0.213 0.000 1.233 473 R HN 0.287 nan 8.270 nan 0.000 0.442 474 P HA 0.098 nan 4.420 nan 0.000 0.269 474 P C -0.568 176.912 177.300 0.299 0.000 1.211 474 P CA 0.373 63.634 63.100 0.268 0.000 0.781 474 P CB 0.242 32.075 31.700 0.221 0.000 0.877 475 F N 0.000 119.950 119.950 0.001 0.000 2.286 475 F HA 0.000 4.528 4.527 0.002 0.000 0.279 475 F CA 0.000 58.002 58.000 0.003 0.000 1.383 475 F CB 0.000 39.015 39.000 0.024 0.000 1.145 475 F HN 0.000 nan 8.300 nan 0.000 0.574