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 1bzl_1_A DATA FIRST_RESID 2 DATA SEQUENCE MSKIFDLVVI GAGSGGLEAA WNAATLYKKR VAVIDVQMVH GPPFFSALGG DATA SEQUENCE TcVNVGcVPK KLMVTGAQYM EHLRESAGFG WEFDRTTLRA EWKNLIAVKD DATA SEQUENCE EAVLNINKSY DEMFRDTEGL EFFLGWGSLE SKNVVNVRES ADPASAVKER DATA SEQUENCE LETEHILLAS GSWPHMPNIP GIEHCISSNE AFYLPEPPRR VLTVGGGFIS DATA SEQUENCE VEFAGIFNAY KPKDGQVTLC YRGEMILRGF DHTLREELTK QLTANGIQIL DATA SEQUENCE TKENPAKVEL NADGSKSVTF ESGKKMDFDL VMMAIGRSPR TKDLQLQNAG DATA SEQUENCE VMIKNGGVQV DEYSRTNVSN IYAIGDVTNR VMLTPVAINE AAALVDTVFG DATA SEQUENCE TTPRKTDHTR VASAVFSIPP IGTCGLIEEV ASKRYEVVAV YLSSFTPLMH DATA SEQUENCE KVSGSKYKTF VAKIITNHSD GTVLGVHLLG DNAPEIIQGI GICLKLNAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPSYYYVKG EKMEKP 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 2 M HA 0.000 nan 4.480 nan 0.000 0.227 2 M C 0.000 176.300 176.300 0.000 0.000 1.140 2 M CA 0.000 55.305 55.300 0.008 0.000 0.988 2 M CB 0.000 32.610 32.600 0.017 0.000 1.302 3 S N 1.317 117.016 115.700 -0.002 0.000 2.549 3 S HA 0.414 4.887 4.470 0.006 0.000 0.283 3 S C -0.852 173.746 174.600 -0.003 0.000 1.320 3 S CA 0.103 58.299 58.200 -0.007 0.000 1.058 3 S CB 0.133 63.328 63.200 -0.007 0.000 0.882 3 S HN 0.451 nan 8.310 nan 0.000 0.498 4 K N 0.591 120.987 120.400 -0.007 0.000 2.245 4 K HA -0.087 4.237 4.320 0.006 0.000 1.033 4 K C 0.783 177.375 176.600 -0.013 0.000 1.020 4 K CA 0.202 56.492 56.287 0.004 0.000 0.952 4 K CB -1.119 31.394 32.500 0.021 0.000 3.437 4 K HN 0.642 nan 8.250 nan 0.000 0.110 5 I N -1.375 119.163 120.570 -0.054 0.000 2.145 5 I HA -0.173 4.000 4.170 0.006 0.000 0.244 5 I C 0.679 176.610 176.117 -0.310 0.000 1.075 5 I CA 1.372 62.550 61.300 -0.205 0.000 1.332 5 I CB -0.201 37.630 38.000 -0.281 0.000 1.033 5 I HN 0.200 nan 8.210 nan 0.000 0.410 6 F N 1.507 121.475 119.950 0.029 0.000 2.432 6 F HA 0.310 4.839 4.527 0.003 0.000 0.329 6 F C 1.303 177.151 175.800 0.081 0.000 1.076 6 F CA -0.571 57.460 58.000 0.052 0.000 1.018 6 F CB 0.821 39.849 39.000 0.046 0.000 1.201 6 F HN -0.108 nan 8.300 nan 0.000 0.489 7 D N 0.760 121.346 120.400 0.309 0.000 2.213 7 D HA 0.048 4.692 4.640 0.006 0.000 0.205 7 D C -0.149 176.406 176.300 0.425 0.000 0.961 7 D CA 1.183 55.356 54.000 0.289 0.000 0.853 7 D CB 0.593 41.459 40.800 0.110 0.000 0.967 7 D HN 0.142 nan 8.370 nan 0.000 0.496 8 L N 0.358 121.786 121.223 0.341 0.000 2.472 8 L HA 0.353 4.696 4.340 0.006 0.000 0.260 8 L C -1.663 175.313 176.870 0.176 0.000 0.963 8 L CA -0.706 54.333 54.840 0.332 0.000 0.829 8 L CB 2.558 44.816 42.059 0.332 0.000 1.348 8 L HN -0.360 nan 8.230 nan 0.000 0.408 9 V N 5.131 125.119 119.914 0.123 0.000 2.443 9 V HA 0.517 4.640 4.120 0.006 0.000 0.293 9 V C -0.688 175.426 176.094 0.034 0.000 1.021 9 V CA -0.645 61.643 62.300 -0.021 0.000 0.848 9 V CB 1.908 33.679 31.823 -0.087 0.000 0.998 9 V HN 0.511 nan 8.190 nan 0.000 0.424 10 V N 6.659 126.590 119.914 0.029 0.000 2.370 10 V HA 0.454 4.578 4.120 0.006 0.000 0.279 10 V C 0.078 176.179 176.094 0.013 0.000 1.029 10 V CA -0.358 61.980 62.300 0.063 0.000 0.870 10 V CB 1.596 33.487 31.823 0.114 0.000 0.984 10 V HN 0.668 nan 8.190 nan 0.000 0.451 11 I N 4.992 125.568 120.570 0.009 0.000 2.291 11 I HA 0.645 4.818 4.170 0.006 0.000 0.290 11 I C 0.756 176.869 176.117 -0.007 0.000 1.050 11 I CA 0.143 61.427 61.300 -0.026 0.000 1.245 11 I CB 0.929 38.914 38.000 -0.025 0.000 1.405 11 I HN 0.884 nan 8.210 nan 0.000 0.478 12 G N 4.641 113.428 108.800 -0.020 0.000 3.438 12 G HA2 0.120 4.084 3.960 0.006 0.000 0.684 12 G HA3 0.120 4.084 3.960 0.006 0.000 0.684 12 G C -0.454 174.476 174.900 0.050 0.000 1.192 12 G CA -0.425 44.676 45.100 0.002 0.000 1.013 12 G HN 0.856 nan 8.290 nan 0.000 0.530 13 A N 1.741 124.600 122.820 0.064 0.000 3.293 13 A HA 0.801 5.124 4.320 0.006 0.000 0.282 13 A C 1.214 178.801 177.584 0.005 0.000 1.394 13 A CA 1.003 53.094 52.037 0.090 0.000 1.118 13 A CB -0.170 18.940 19.000 0.183 0.000 1.133 13 A HN 2.008 nan 8.150 nan 0.000 0.627 14 G N -0.741 108.069 108.800 0.017 0.000 2.828 14 G HA2 0.419 4.382 3.960 0.006 0.000 0.244 14 G HA3 0.419 4.382 3.960 0.006 0.000 0.244 14 G C 1.029 175.926 174.900 -0.006 0.000 1.365 14 G CA 0.424 45.525 45.100 0.001 0.000 1.041 14 G HN 0.273 nan 8.290 nan 0.000 0.560 15 S N -0.278 115.434 115.700 0.021 0.000 2.368 15 S HA -0.180 4.293 4.470 0.006 0.000 0.226 15 S C 2.408 177.039 174.600 0.051 0.000 1.044 15 S CA 1.971 60.193 58.200 0.036 0.000 1.062 15 S CB -0.703 62.531 63.200 0.057 0.000 0.931 15 S HN 0.822 nan 8.310 nan 0.000 0.440 16 G N 0.731 109.571 108.800 0.066 0.000 2.408 16 G HA2 0.130 4.094 3.960 0.006 0.000 0.215 16 G HA3 0.130 4.094 3.960 0.006 0.000 0.215 16 G C 1.423 176.377 174.900 0.091 0.000 1.156 16 G CA 0.736 45.884 45.100 0.080 0.000 0.793 16 G HN 0.569 nan 8.290 nan 0.000 0.535 17 G N 1.141 109.992 108.800 0.085 0.000 2.421 17 G HA2 -0.172 3.792 3.960 0.006 0.000 0.216 17 G HA3 -0.172 3.792 3.960 0.006 0.000 0.216 17 G C 1.789 176.764 174.900 0.126 0.000 1.171 17 G CA 0.748 45.911 45.100 0.104 0.000 0.775 17 G HN 0.397 nan 8.290 nan 0.000 0.543 18 L N -0.021 121.256 121.223 0.090 0.000 2.093 18 L HA -0.026 4.318 4.340 0.006 0.000 0.208 18 L C 2.782 179.740 176.870 0.147 0.000 1.085 18 L CA 1.353 56.250 54.840 0.094 0.000 0.755 18 L CB -0.298 41.725 42.059 -0.059 0.000 0.904 18 L HN 0.251 nan 8.230 nan 0.000 0.435 19 E N 0.532 120.808 120.200 0.126 0.000 2.051 19 E HA -0.191 4.163 4.350 0.006 0.000 0.192 19 E C 2.135 178.858 176.600 0.204 0.000 0.991 19 E CA 1.524 58.021 56.400 0.163 0.000 0.799 19 E CB -0.101 29.669 29.700 0.116 0.000 0.748 19 E HN 0.355 nan 8.360 nan 0.000 0.449 20 A N 1.002 123.922 122.820 0.166 0.000 1.851 20 A HA -0.117 4.207 4.320 0.006 0.000 0.216 20 A C 2.499 180.193 177.584 0.183 0.000 1.195 20 A CA 2.521 54.658 52.037 0.167 0.000 0.622 20 A CB -1.347 17.743 19.000 0.149 0.000 0.831 20 A HN 0.400 nan 8.150 nan 0.000 0.444 21 A N -1.268 121.665 122.820 0.188 0.000 1.892 21 A HA -0.237 4.086 4.320 0.006 0.000 0.218 21 A C 2.166 179.845 177.584 0.157 0.000 1.188 21 A CA 1.631 53.776 52.037 0.180 0.000 0.631 21 A CB -1.081 18.051 19.000 0.221 0.000 0.822 21 A HN 0.885 nan 8.150 nan 0.000 0.447 22 W N 1.062 122.366 121.300 0.006 0.000 2.354 22 W HA -0.225 4.436 4.660 0.002 0.000 0.315 22 W C 1.663 178.177 176.519 -0.008 0.000 1.206 22 W CA 2.093 59.420 57.345 -0.030 0.000 1.290 22 W CB -0.485 28.956 29.460 -0.031 0.000 1.152 22 W HN 0.415 nan 8.180 nan 0.000 0.489 23 N N 0.901 119.639 118.700 0.064 0.000 2.104 23 N HA -0.162 4.581 4.740 0.006 0.000 0.190 23 N C 1.924 177.390 175.510 -0.075 0.000 1.024 23 N CA 2.601 55.624 53.050 -0.044 0.000 0.853 23 N CB -1.141 37.420 38.487 0.123 0.000 1.008 23 N HN 0.193 nan 8.380 nan 0.000 0.424 24 A N 0.406 123.246 122.820 0.032 0.000 1.930 24 A HA 0.081 4.404 4.320 0.006 0.000 0.217 24 A C 2.266 179.770 177.584 -0.134 0.000 1.175 24 A CA 1.846 53.890 52.037 0.011 0.000 0.627 24 A CB -0.838 18.136 19.000 -0.042 0.000 0.815 24 A HN 0.323 nan 8.150 nan 0.000 0.443 25 A N -1.267 121.443 122.820 -0.183 0.000 1.872 25 A HA 0.017 4.340 4.320 0.006 0.000 0.214 25 A C 2.317 179.708 177.584 -0.321 0.000 1.187 25 A CA 2.130 54.038 52.037 -0.216 0.000 0.614 25 A CB -1.038 17.845 19.000 -0.195 0.000 0.826 25 A HN 0.408 nan 8.150 nan 0.000 0.442 26 T N 0.214 114.450 114.554 -0.531 0.000 2.643 26 T HA -0.032 4.321 4.350 0.006 0.000 0.256 26 T C 1.753 176.207 174.700 -0.409 0.000 1.061 26 T CA 1.539 63.277 62.100 -0.605 0.000 1.163 26 T CB -0.371 67.792 68.868 -1.174 0.000 0.865 26 T HN 0.180 nan 8.240 nan 0.000 0.407 27 L N -0.339 120.627 121.223 -0.430 0.000 2.141 27 L HA 0.043 4.387 4.340 0.006 0.000 0.209 27 L C 1.559 178.063 176.870 -0.610 0.000 1.094 27 L CA 1.614 56.143 54.840 -0.519 0.000 0.763 27 L CB -0.634 41.036 42.059 -0.649 0.000 0.908 27 L HN 0.345 nan 8.230 nan 0.000 0.437 28 Y N -1.327 118.884 120.300 -0.148 0.000 2.500 28 Y HA 0.213 4.767 4.550 0.006 0.000 0.246 28 Y C 0.487 176.290 175.900 -0.161 0.000 1.146 28 Y CA -1.104 56.918 58.100 -0.130 0.000 1.230 28 Y CB 0.309 38.694 38.460 -0.125 0.000 1.214 28 Y HN -0.095 nan 8.280 nan 0.000 0.526 29 K N 0.640 120.992 120.400 -0.080 0.000 3.162 29 K HA -0.170 4.154 4.320 0.006 0.000 0.268 29 K C -0.908 175.634 176.600 -0.098 0.000 1.062 29 K CA 0.466 56.697 56.287 -0.092 0.000 0.769 29 K CB -1.516 30.947 32.500 -0.061 0.000 1.274 29 K HN 0.254 nan 8.250 nan 0.000 0.478 30 K N 0.867 121.176 120.400 -0.150 0.000 2.156 30 K HA 0.321 4.644 4.320 0.006 0.000 0.254 30 K C 0.397 176.952 176.600 -0.074 0.000 0.950 30 K CA -0.806 55.368 56.287 -0.188 0.000 0.849 30 K CB 1.761 33.974 32.500 -0.479 0.000 1.100 30 K HN 0.169 nan 8.250 nan 0.000 0.434 31 R N 1.931 122.437 120.500 0.011 0.000 2.242 31 R HA 0.237 4.581 4.340 0.006 0.000 0.334 31 R C -0.828 175.659 176.300 0.311 0.000 1.071 31 R CA -0.255 55.936 56.100 0.152 0.000 0.922 31 R CB 0.277 30.643 30.300 0.110 0.000 1.023 31 R HN 0.240 nan 8.270 nan 0.000 0.458 32 V N 3.353 123.438 119.914 0.286 0.000 2.628 32 V HA 0.634 4.758 4.120 0.006 0.000 0.306 32 V C -0.228 175.975 176.094 0.182 0.000 1.045 32 V CA -0.932 61.505 62.300 0.228 0.000 0.905 32 V CB 1.727 33.638 31.823 0.147 0.000 0.997 32 V HN 0.886 nan 8.190 nan 0.000 0.436 33 A N 3.978 126.725 122.820 -0.121 0.000 2.318 33 A HA 0.878 5.202 4.320 0.006 0.000 0.324 33 A C -0.895 176.678 177.584 -0.019 0.000 1.170 33 A CA -0.527 51.367 52.037 -0.238 0.000 0.810 33 A CB 1.463 19.783 19.000 -1.133 0.000 1.198 33 A HN 0.682 nan 8.150 nan 0.000 0.484 34 V N 3.555 123.555 119.914 0.143 0.000 2.604 34 V HA 0.530 4.653 4.120 0.006 0.000 0.305 34 V C -0.393 175.625 176.094 -0.127 0.000 1.043 34 V CA -0.264 62.106 62.300 0.116 0.000 0.888 34 V CB 1.547 33.605 31.823 0.390 0.000 0.995 34 V HN 0.785 nan 8.190 nan 0.000 0.429 35 I N 3.313 123.772 120.570 -0.184 0.000 2.646 35 I HA 0.680 4.853 4.170 0.006 0.000 0.299 35 I C -0.778 175.182 176.117 -0.261 0.000 1.036 35 I CA -0.325 60.749 61.300 -0.376 0.000 1.074 35 I CB 2.234 40.082 38.000 -0.253 0.000 1.258 35 I HN 0.571 nan 8.210 nan 0.000 0.430 36 D N 1.651 121.858 120.400 -0.322 0.000 2.648 36 D HA 0.186 4.829 4.640 0.006 0.000 0.244 36 D C 0.299 176.462 176.300 -0.227 0.000 1.244 36 D CA -0.362 53.555 54.000 -0.138 0.000 0.772 36 D CB 2.701 43.597 40.800 0.159 0.000 1.379 36 D HN 0.343 nan 8.370 nan 0.000 0.428 37 V N -0.497 119.193 119.914 -0.373 0.000 2.591 37 V HA 0.184 4.307 4.120 0.006 0.000 0.249 37 V C 0.611 176.690 176.094 -0.025 0.000 1.053 37 V CA 1.109 63.123 62.300 -0.477 0.000 1.068 37 V CB -0.188 30.965 31.823 -1.115 0.000 0.689 37 V HN 0.396 nan 8.190 nan 0.000 0.462 38 Q N -1.373 118.472 119.800 0.075 0.000 2.484 38 Q HA 0.537 4.880 4.340 0.006 0.000 0.285 38 Q C 0.283 176.341 176.000 0.098 0.000 1.097 38 Q CA -0.933 54.946 55.803 0.126 0.000 0.802 38 Q CB 2.128 30.944 28.738 0.130 0.000 1.444 38 Q HN 0.071 nan 8.270 nan 0.000 0.429 39 M N 0.100 119.731 119.600 0.051 0.000 2.357 39 M HA 0.099 4.583 4.480 0.006 0.000 0.266 39 M C 0.679 176.971 176.300 -0.013 0.000 1.095 39 M CA 0.881 56.166 55.300 -0.025 0.000 1.156 39 M CB 0.315 32.898 32.600 -0.029 0.000 1.365 39 M HN 0.526 nan 8.290 nan 0.000 0.447 40 V N -1.564 118.355 119.914 0.009 0.000 3.040 40 V HA 0.470 4.593 4.120 0.006 0.000 0.312 40 V C -0.376 175.739 176.094 0.036 0.000 1.115 40 V CA -1.366 60.957 62.300 0.038 0.000 0.998 40 V CB 1.005 32.817 31.823 -0.019 0.000 1.042 40 V HN 0.603 nan 8.190 nan 0.000 0.433 41 H N 0.918 120.027 119.070 0.064 0.000 2.822 41 H HA 0.701 5.260 4.556 0.004 0.000 0.373 41 H C 0.404 175.776 175.328 0.072 0.000 1.223 41 H CA 0.541 56.660 56.048 0.118 0.000 1.436 41 H CB 0.376 30.239 29.762 0.169 0.000 1.439 41 H HN 2.041 nan 8.280 nan 0.000 0.618 42 G N 0.402 109.233 108.800 0.051 0.000 2.479 42 G HA2 -0.055 3.909 3.960 0.006 0.000 0.686 42 G HA3 -0.055 3.909 3.960 0.006 0.000 0.686 42 G C -3.105 171.389 174.900 -0.678 0.000 1.295 42 G CA -0.840 43.981 45.100 -0.465 0.000 0.922 42 G HN 0.734 nan 8.290 nan 0.000 0.582 43 P HA 0.217 nan 4.420 nan 0.000 0.269 43 P C -1.390 175.503 177.300 -0.678 0.000 1.215 43 P CA -0.717 61.745 63.100 -1.063 0.000 0.780 43 P CB 0.610 31.897 31.700 -0.689 0.000 0.898 44 P HA 0.052 nan 4.420 nan 0.000 0.235 44 P C 0.436 177.415 177.300 -0.535 0.000 1.177 44 P CA 1.103 63.769 63.100 -0.724 0.000 0.785 44 P CB 0.165 31.465 31.700 -0.667 0.000 0.885 45 F N -1.867 117.985 119.950 -0.164 0.000 2.749 45 F HA 0.258 4.787 4.527 0.004 0.000 0.300 45 F C 1.376 177.391 175.800 0.359 0.000 1.103 45 F CA -0.790 57.298 58.000 0.147 0.000 1.342 45 F CB -0.869 38.203 39.000 0.119 0.000 1.098 45 F HN -0.276 nan 8.300 nan 0.000 0.586 46 F N -1.224 118.930 119.950 0.341 0.000 2.568 46 F HA -0.399 4.133 4.527 0.007 0.000 0.685 46 F C 1.402 177.386 175.800 0.307 0.000 0.487 46 F CA 0.960 59.141 58.000 0.303 0.000 0.705 46 F CB -1.886 37.326 39.000 0.353 0.000 1.601 46 F HN 0.003 nan 8.300 nan 0.000 0.264 47 S N 1.511 117.536 115.700 0.540 0.000 2.632 47 S HA 0.858 5.331 4.470 0.006 0.000 0.267 47 S C 0.023 174.768 174.600 0.242 0.000 1.276 47 S CA -0.155 58.255 58.200 0.351 0.000 0.998 47 S CB 2.073 65.473 63.200 0.334 0.000 0.953 47 S HN 1.389 nan 8.310 nan 0.000 0.547 48 A N 0.285 123.207 122.820 0.170 0.000 3.201 48 A HA 0.619 4.942 4.320 0.006 0.000 0.303 48 A C -1.006 176.619 177.584 0.068 0.000 1.173 48 A CA -0.877 51.227 52.037 0.113 0.000 0.621 48 A CB -0.327 18.744 19.000 0.119 0.000 1.468 48 A HN 1.016 nan 8.150 nan 0.000 0.632 49 L N 1.115 122.351 121.223 0.021 0.000 2.628 49 L HA 0.409 4.752 4.340 0.006 0.000 0.274 49 L C 1.238 178.079 176.870 -0.048 0.000 1.209 49 L CA 2.655 57.455 54.840 -0.068 0.000 0.930 49 L CB -0.220 41.706 42.059 -0.221 0.000 1.183 49 L HN 1.953 nan 8.230 nan 0.000 0.492 50 G N 1.982 110.674 108.800 -0.180 0.000 2.352 50 G HA2 0.193 4.156 3.960 0.006 0.000 0.204 50 G HA3 0.193 4.156 3.960 0.006 0.000 0.204 50 G C 0.948 175.802 174.900 -0.076 0.000 1.004 50 G CA 0.068 45.030 45.100 -0.230 0.000 0.648 50 G HN 1.953 nan 8.290 nan 0.000 0.491 51 G N -1.323 107.478 108.800 0.002 0.000 2.698 51 G HA2 0.150 4.113 3.960 0.006 0.000 0.225 51 G HA3 0.150 4.113 3.960 0.006 0.000 0.225 51 G C 0.749 175.705 174.900 0.094 0.000 1.345 51 G CA 0.683 45.816 45.100 0.055 0.000 0.871 51 G HN 1.226 nan 8.290 nan 0.000 0.540 52 T N -0.493 114.134 114.554 0.121 0.000 2.708 52 T HA -0.197 4.157 4.350 0.006 0.000 0.266 52 T C 2.513 177.263 174.700 0.083 0.000 1.037 52 T CA 2.540 64.721 62.100 0.135 0.000 1.146 52 T CB -0.645 68.325 68.868 0.169 0.000 0.865 52 T HN 1.138 nan 8.240 nan 0.000 0.435 53 c N 1.230 119.877 118.600 0.078 0.000 2.398 53 c HA -0.096 4.477 4.570 0.006 0.000 0.276 53 c C 2.766 176.858 174.090 0.003 0.000 1.222 53 c CA 0.836 57.196 56.329 0.053 0.000 1.746 53 c CB -1.256 41.290 42.510 0.061 0.000 2.039 53 c HN 0.378 nan 8.230 nan 0.000 0.470 54 V N 1.723 121.649 119.914 0.020 0.000 2.270 54 V HA -0.160 3.963 4.120 0.006 0.000 0.245 54 V C 2.380 178.435 176.094 -0.065 0.000 1.043 54 V CA 2.415 64.716 62.300 0.002 0.000 1.014 54 V CB -0.720 31.158 31.823 0.092 0.000 0.645 54 V HN 0.577 nan 8.190 nan 0.000 0.447 55 N N 0.544 119.236 118.700 -0.015 0.000 2.207 55 N HA -0.056 4.687 4.740 0.006 0.000 0.182 55 N C 0.958 176.393 175.510 -0.126 0.000 1.020 55 N CA 1.947 54.994 53.050 -0.004 0.000 0.858 55 N CB 0.320 38.900 38.487 0.156 0.000 0.991 55 N HN 0.541 nan 8.380 nan 0.000 0.427 56 V N -3.106 116.724 119.914 -0.141 0.000 2.793 56 V HA 0.704 4.828 4.120 0.006 0.000 0.361 56 V C 0.246 176.229 176.094 -0.185 0.000 1.298 56 V CA -0.440 61.640 62.300 -0.366 0.000 1.343 56 V CB 0.615 32.487 31.823 0.081 0.000 1.410 56 V HN 0.181 nan 8.190 nan 0.000 0.656 57 G N -0.247 108.434 108.800 -0.199 0.000 3.198 57 G HA2 0.266 4.230 3.960 0.006 0.000 0.166 57 G HA3 0.266 4.230 3.960 0.006 0.000 0.166 57 G C 0.874 175.783 174.900 0.016 0.000 1.134 57 G CA 0.607 45.732 45.100 0.043 0.000 0.941 57 G HN 0.318 nan 8.290 nan 0.000 0.639 58 c N 0.153 118.778 118.600 0.041 0.000 2.363 58 c HA -0.083 4.490 4.570 0.006 0.000 0.274 58 c C 2.837 176.868 174.090 -0.098 0.000 1.183 58 c CA 1.082 57.407 56.329 -0.005 0.000 1.771 58 c CB -1.599 40.917 42.510 0.011 0.000 2.059 58 c HN 0.291 nan 8.230 nan 0.000 0.455 59 V N 3.176 123.025 119.914 -0.108 0.000 2.214 59 V HA -0.169 3.955 4.120 0.006 0.000 0.245 59 V C 0.423 176.406 176.094 -0.185 0.000 1.047 59 V CA 2.845 65.059 62.300 -0.144 0.000 0.998 59 V CB -2.104 29.645 31.823 -0.123 0.000 0.633 59 V HN 0.394 nan 8.190 nan 0.000 0.446 60 P HA -0.208 nan 4.420 nan 0.000 0.218 60 P C 1.387 178.621 177.300 -0.111 0.000 1.148 60 P CA 1.983 64.926 63.100 -0.262 0.000 0.822 60 P CB -0.076 31.299 31.700 -0.543 0.000 0.784 61 K N 0.612 120.990 120.400 -0.037 0.000 2.155 61 K HA -0.114 4.210 4.320 0.006 0.000 0.203 61 K C 2.169 178.657 176.600 -0.187 0.000 1.052 61 K CA 1.412 57.673 56.287 -0.043 0.000 0.948 61 K CB -0.683 31.821 32.500 0.007 0.000 0.728 61 K HN -0.123 nan 8.250 nan 0.000 0.448 62 K N 1.145 121.403 120.400 -0.237 0.000 2.097 62 K HA 0.069 4.393 4.320 0.006 0.000 0.205 62 K C 1.829 178.293 176.600 -0.226 0.000 1.050 62 K CA 1.277 57.357 56.287 -0.345 0.000 0.938 62 K CB -0.300 31.949 32.500 -0.418 0.000 0.718 62 K HN 0.287 nan 8.250 nan 0.000 0.442 63 L N -0.164 120.955 121.223 -0.173 0.000 2.056 63 L HA -0.118 4.225 4.340 0.006 0.000 0.207 63 L C 2.458 179.268 176.870 -0.100 0.000 1.078 63 L CA 1.342 56.108 54.840 -0.123 0.000 0.749 63 L CB -0.350 41.633 42.059 -0.126 0.000 0.901 63 L HN 0.239 nan 8.230 nan 0.000 0.433 64 M N -1.196 118.323 119.600 -0.135 0.000 2.229 64 M HA -0.153 4.330 4.480 0.006 0.000 0.264 64 M C 2.227 178.484 176.300 -0.073 0.000 1.063 64 M CA 1.132 56.349 55.300 -0.139 0.000 1.114 64 M CB -0.244 32.229 32.600 -0.213 0.000 1.387 64 M HN 0.047 nan 8.290 nan 0.000 0.420 65 V N -0.120 119.721 119.914 -0.121 0.000 2.453 65 V HA -0.204 3.920 4.120 0.006 0.000 0.247 65 V C 2.268 178.331 176.094 -0.052 0.000 1.048 65 V CA 2.042 64.290 62.300 -0.087 0.000 1.049 65 V CB -0.812 30.943 31.823 -0.112 0.000 0.672 65 V HN 0.480 nan 8.190 nan 0.000 0.457 66 T N 0.280 114.794 114.554 -0.067 0.000 2.788 66 T HA -0.122 4.231 4.350 0.006 0.000 0.268 66 T C 1.888 176.590 174.700 0.003 0.000 1.044 66 T CA 1.530 63.586 62.100 -0.073 0.000 1.139 66 T CB -0.550 68.291 68.868 -0.044 0.000 0.867 66 T HN 0.619 nan 8.240 nan 0.000 0.454 67 G N 1.087 109.986 108.800 0.165 0.000 2.404 67 G HA2 -0.027 3.937 3.960 0.006 0.000 0.215 67 G HA3 -0.027 3.937 3.960 0.006 0.000 0.215 67 G C 1.851 176.949 174.900 0.329 0.000 1.174 67 G CA 0.828 46.161 45.100 0.389 0.000 0.780 67 G HN 0.568 nan 8.290 nan 0.000 0.537 68 A N 0.313 123.286 122.820 0.254 0.000 1.940 68 A HA -0.132 4.191 4.320 0.006 0.000 0.219 68 A C 2.302 179.877 177.584 -0.015 0.000 1.176 68 A CA 2.302 54.417 52.037 0.129 0.000 0.631 68 A CB -0.465 18.613 19.000 0.130 0.000 0.814 68 A HN 0.418 nan 8.150 nan 0.000 0.446 69 Q N -1.116 118.623 119.800 -0.102 0.000 2.234 69 Q HA -0.180 4.164 4.340 0.006 0.000 0.206 69 Q C 1.381 177.132 176.000 -0.414 0.000 0.980 69 Q CA 1.784 57.410 55.803 -0.296 0.000 0.869 69 Q CB -0.699 27.813 28.738 -0.376 0.000 0.912 69 Q HN 0.735 nan 8.270 nan 0.000 0.436 70 Y N -0.628 119.620 120.300 -0.087 0.000 2.497 70 Y HA -0.103 4.450 4.550 0.005 0.000 0.292 70 Y C 2.093 177.976 175.900 -0.028 0.000 1.137 70 Y CA 1.258 59.360 58.100 0.003 0.000 1.285 70 Y CB -0.341 38.149 38.460 0.050 0.000 0.991 70 Y HN 0.249 nan 8.280 nan 0.000 0.556 71 M N -0.205 119.421 119.600 0.044 0.000 2.159 71 M HA -0.204 4.279 4.480 0.006 0.000 0.263 71 M C 1.788 178.114 176.300 0.044 0.000 1.063 71 M CA 1.682 57.002 55.300 0.033 0.000 1.110 71 M CB 0.111 32.701 32.600 -0.017 0.000 1.374 71 M HN 0.093 nan 8.290 nan 0.000 0.411 72 E N -0.055 120.121 120.200 -0.041 0.000 2.031 72 E HA -0.218 4.135 4.350 0.006 0.000 0.193 72 E C 1.942 178.574 176.600 0.053 0.000 0.994 72 E CA 1.410 57.790 56.400 -0.033 0.000 0.800 72 E CB -0.973 28.636 29.700 -0.152 0.000 0.752 72 E HN 0.642 nan 8.360 nan 0.000 0.447 73 H N 0.905 120.012 119.070 0.061 0.000 2.319 73 H HA -0.078 4.481 4.556 0.005 0.000 0.297 73 H C 2.462 177.848 175.328 0.097 0.000 1.097 73 H CA 1.050 57.132 56.048 0.056 0.000 1.285 73 H CB -0.619 29.175 29.762 0.054 0.000 1.368 73 H HN 0.105 nan 8.280 nan 0.000 0.495 74 L N -0.031 121.350 121.223 0.264 0.000 2.083 74 L HA -0.149 4.194 4.340 0.006 0.000 0.209 74 L C 2.847 179.896 176.870 0.299 0.000 1.083 74 L CA 1.148 56.146 54.840 0.263 0.000 0.752 74 L CB -0.284 41.919 42.059 0.241 0.000 0.899 74 L HN 0.151 nan 8.230 nan 0.000 0.433 75 R N 0.375 121.008 120.500 0.222 0.000 2.075 75 R HA -0.119 4.224 4.340 0.006 0.000 0.226 75 R C 2.060 178.483 176.300 0.205 0.000 1.114 75 R CA 1.179 57.391 56.100 0.187 0.000 0.972 75 R CB 0.059 30.445 30.300 0.143 0.000 0.869 75 R HN 0.384 nan 8.270 nan 0.000 0.437 76 E N 0.134 120.471 120.200 0.227 0.000 2.208 76 E HA -0.115 4.238 4.350 0.006 0.000 0.193 76 E C 1.828 178.652 176.600 0.374 0.000 0.988 76 E CA 1.189 57.757 56.400 0.281 0.000 0.828 76 E CB 0.103 29.978 29.700 0.291 0.000 0.763 76 E HN 0.402 nan 8.360 nan 0.000 0.478 77 S N 1.180 117.076 115.700 0.327 0.000 2.420 77 S HA -0.194 4.279 4.470 0.006 0.000 0.237 77 S C 2.219 177.142 174.600 0.538 0.000 1.023 77 S CA 0.918 59.353 58.200 0.391 0.000 0.991 77 S CB -0.267 63.068 63.200 0.224 0.000 0.792 77 S HN 0.295 nan 8.310 nan 0.000 0.488 78 A N 1.889 124.936 122.820 0.378 0.000 1.978 78 A HA 0.179 4.503 4.320 0.006 0.000 0.220 78 A C 2.369 180.072 177.584 0.198 0.000 1.170 78 A CA 1.480 53.675 52.037 0.262 0.000 0.636 78 A CB -1.676 17.414 19.000 0.149 0.000 0.810 78 A HN 0.690 nan 8.150 nan 0.000 0.448 79 G N -2.045 106.869 108.800 0.189 0.000 2.509 79 G HA2 -0.000 3.963 3.960 0.006 0.000 0.218 79 G HA3 -0.000 3.963 3.960 0.006 0.000 0.218 79 G C 0.773 175.516 174.900 -0.260 0.000 1.124 79 G CA 0.691 45.755 45.100 -0.060 0.000 0.776 79 G HN 0.467 nan 8.290 nan 0.000 0.547 80 F N 0.003 120.049 119.950 0.160 0.000 2.668 80 F HA 0.410 4.941 4.527 0.006 0.000 0.301 80 F C 1.672 177.513 175.800 0.067 0.000 1.106 80 F CA -0.163 57.928 58.000 0.153 0.000 1.289 80 F CB 0.705 39.857 39.000 0.252 0.000 1.006 80 F HN 0.156 nan 8.300 nan 0.000 0.535 81 G N -0.798 108.086 108.800 0.139 0.000 2.141 81 G HA2 -0.303 3.661 3.960 0.006 0.000 0.242 81 G HA3 -0.303 3.661 3.960 0.006 0.000 0.242 81 G C -0.274 174.561 174.900 -0.109 0.000 0.982 81 G CA -0.647 44.434 45.100 -0.033 0.000 0.662 81 G HN 0.289 nan 8.290 nan 0.000 0.527 82 W N 1.306 122.700 121.300 0.157 0.000 2.338 82 W HA 0.652 5.316 4.660 0.006 0.000 0.307 82 W C 0.611 177.241 176.519 0.185 0.000 1.167 82 W CA -0.512 56.937 57.345 0.173 0.000 1.208 82 W CB 0.759 30.339 29.460 0.200 0.000 1.228 82 W HN 0.142 nan 8.180 nan 0.000 0.499 83 E N 3.258 123.670 120.200 0.353 0.000 2.227 83 E HA 0.682 5.035 4.350 0.006 0.000 0.268 83 E C -0.942 175.900 176.600 0.403 0.000 0.907 83 E CA -1.040 55.505 56.400 0.242 0.000 0.786 83 E CB 2.146 31.909 29.700 0.105 0.000 1.191 83 E HN 0.309 nan 8.360 nan 0.000 0.411 84 F N -1.346 118.673 119.950 0.115 0.000 2.799 84 F HA 0.253 4.784 4.527 0.006 0.000 0.316 84 F C -1.390 174.451 175.800 0.069 0.000 1.155 84 F CA -1.377 56.678 58.000 0.092 0.000 0.916 84 F CB 0.692 39.752 39.000 0.100 0.000 1.294 84 F HN 0.196 nan 8.300 nan 0.000 0.447 85 D N 1.652 122.165 120.400 0.188 0.000 2.455 85 D HA 0.241 4.884 4.640 0.006 0.000 0.234 85 D C 1.045 177.359 176.300 0.023 0.000 1.224 85 D CA 0.128 54.158 54.000 0.050 0.000 0.999 85 D CB 0.481 41.338 40.800 0.095 0.000 1.072 85 D HN 0.602 nan 8.370 nan 0.000 0.514 86 R N 1.006 121.345 120.500 -0.270 0.000 2.316 86 R HA -0.113 4.230 4.340 0.006 0.000 0.232 86 R C 1.637 177.940 176.300 0.004 0.000 1.137 86 R CA 1.514 57.482 56.100 -0.220 0.000 1.012 86 R CB -0.225 29.867 30.300 -0.346 0.000 0.859 86 R HN 0.481 nan 8.270 nan 0.000 0.474 87 T N -2.677 111.885 114.554 0.013 0.000 3.085 87 T HA -0.053 4.301 4.350 0.006 0.000 0.263 87 T C 1.675 176.417 174.700 0.069 0.000 1.127 87 T CA 1.198 63.320 62.100 0.036 0.000 1.103 87 T CB -0.015 68.866 68.868 0.022 0.000 0.921 87 T HN 0.265 nan 8.240 nan 0.000 0.510 88 T N -0.691 113.928 114.554 0.108 0.000 3.086 88 T HA 0.371 4.724 4.350 0.006 0.000 0.250 88 T C 0.409 175.186 174.700 0.128 0.000 1.074 88 T CA -0.651 61.516 62.100 0.111 0.000 0.988 88 T CB -0.328 68.610 68.868 0.116 0.000 0.988 88 T HN 0.240 nan 8.240 nan 0.000 0.530 89 L N 3.510 124.833 121.223 0.168 0.000 2.410 89 L HA 0.518 4.861 4.340 0.006 0.000 0.273 89 L C 0.038 176.970 176.870 0.102 0.000 1.152 89 L CA -0.008 54.932 54.840 0.167 0.000 0.855 89 L CB 0.090 42.295 42.059 0.245 0.000 1.129 89 L HN 0.582 nan 8.230 nan 0.000 0.463 90 R N 3.843 124.390 120.500 0.079 0.000 2.634 90 R HA 0.823 5.167 4.340 0.006 0.000 0.263 90 R C -1.871 174.469 176.300 0.067 0.000 1.060 90 R CA -0.473 55.669 56.100 0.071 0.000 0.898 90 R CB 0.814 31.160 30.300 0.076 0.000 1.253 90 R HN 0.665 nan 8.270 nan 0.000 0.461 91 A N 1.570 124.438 122.820 0.080 0.000 2.258 91 A HA 0.476 4.799 4.320 0.006 0.000 0.316 91 A C -0.798 176.962 177.584 0.293 0.000 1.279 91 A CA -0.566 51.545 52.037 0.124 0.000 0.876 91 A CB 1.107 20.058 19.000 -0.081 0.000 1.170 91 A HN 0.710 nan 8.150 nan 0.000 0.520 92 E N 3.167 123.540 120.200 0.288 0.000 1.936 92 E HA 0.071 4.424 4.350 0.006 0.000 0.267 92 E C 0.818 177.616 176.600 0.331 0.000 1.076 92 E CA -0.607 55.956 56.400 0.271 0.000 0.870 92 E CB -0.032 29.762 29.700 0.156 0.000 1.093 92 E HN 0.775 nan 8.360 nan 0.000 0.411 93 W N 4.706 126.116 121.300 0.183 0.000 2.318 93 W HA -0.276 4.388 4.660 0.007 0.000 0.313 93 W C 1.075 177.584 176.519 -0.018 0.000 1.221 93 W CA 1.759 59.117 57.345 0.020 0.000 1.266 93 W CB 0.055 29.550 29.460 0.058 0.000 1.150 93 W HN 0.457 nan 8.180 nan 0.000 0.496 94 K N 1.220 121.719 120.400 0.166 0.000 2.283 94 K HA -0.196 4.128 4.320 0.006 0.000 0.202 94 K C 1.806 178.374 176.600 -0.053 0.000 1.048 94 K CA 1.620 57.925 56.287 0.031 0.000 0.948 94 K CB -0.959 31.618 32.500 0.128 0.000 0.742 94 K HN 0.099 nan 8.250 nan 0.000 0.458 95 N N 0.390 119.077 118.700 -0.021 0.000 2.171 95 N HA -0.136 4.607 4.740 0.006 0.000 0.184 95 N C 1.678 177.120 175.510 -0.113 0.000 1.021 95 N CA 1.080 54.109 53.050 -0.036 0.000 0.854 95 N CB -0.164 38.329 38.487 0.010 0.000 0.994 95 N HN 0.215 nan 8.380 nan 0.000 0.426 96 L N 1.513 122.622 121.223 -0.190 0.000 1.990 96 L HA -0.133 4.211 4.340 0.006 0.000 0.213 96 L C 2.152 178.805 176.870 -0.363 0.000 1.072 96 L CA 1.530 56.189 54.840 -0.302 0.000 0.755 96 L CB -0.787 40.941 42.059 -0.551 0.000 0.889 96 L HN 0.107 nan 8.230 nan 0.000 0.432 97 I N 0.159 120.429 120.570 -0.501 0.000 2.264 97 I HA -0.271 3.902 4.170 0.006 0.000 0.248 97 I C 2.693 178.695 176.117 -0.192 0.000 1.111 97 I CA 1.496 62.556 61.300 -0.400 0.000 1.382 97 I CB -2.101 35.646 38.000 -0.421 0.000 1.060 97 I HN 0.422 nan 8.210 nan 0.000 0.418 98 A N 1.121 123.859 122.820 -0.137 0.000 1.873 98 A HA -0.152 4.172 4.320 0.006 0.000 0.215 98 A C 2.447 179.990 177.584 -0.067 0.000 1.186 98 A CA 2.330 54.330 52.037 -0.062 0.000 0.616 98 A CB -1.099 17.879 19.000 -0.037 0.000 0.823 98 A HN 0.341 nan 8.150 nan 0.000 0.442 99 V N -1.731 118.128 119.914 -0.091 0.000 2.515 99 V HA -0.194 3.929 4.120 0.006 0.000 0.250 99 V C 2.189 178.219 176.094 -0.106 0.000 1.058 99 V CA 2.430 64.679 62.300 -0.084 0.000 1.064 99 V CB -0.799 30.977 31.823 -0.079 0.000 0.675 99 V HN 0.483 nan 8.190 nan 0.000 0.461 100 K N 0.736 121.049 120.400 -0.146 0.000 2.026 100 K HA -0.233 4.091 4.320 0.006 0.000 0.208 100 K C 1.860 178.351 176.600 -0.182 0.000 1.048 100 K CA 2.262 58.441 56.287 -0.180 0.000 0.929 100 K CB -0.649 31.715 32.500 -0.226 0.000 0.713 100 K HN 0.543 nan 8.250 nan 0.000 0.439 101 D N 1.033 121.364 120.400 -0.115 0.000 2.144 101 D HA -0.134 4.510 4.640 0.006 0.000 0.199 101 D C 1.858 178.158 176.300 0.001 0.000 0.984 101 D CA 1.186 55.178 54.000 -0.012 0.000 0.834 101 D CB -0.033 40.859 40.800 0.154 0.000 0.955 101 D HN 0.410 nan 8.370 nan 0.000 0.465 102 E N 0.240 120.428 120.200 -0.018 0.000 2.107 102 E HA -0.038 4.316 4.350 0.006 0.000 0.191 102 E C 2.075 178.644 176.600 -0.052 0.000 0.982 102 E CA 0.895 57.288 56.400 -0.013 0.000 0.809 102 E CB -0.012 29.676 29.700 -0.020 0.000 0.756 102 E HN 0.201 nan 8.360 nan 0.000 0.459 103 A N 0.654 123.418 122.820 -0.093 0.000 1.877 103 A HA -0.154 4.169 4.320 0.006 0.000 0.216 103 A C 2.456 179.960 177.584 -0.134 0.000 1.186 103 A CA 1.252 53.223 52.037 -0.110 0.000 0.620 103 A CB -0.665 18.260 19.000 -0.124 0.000 0.822 103 A HN 0.131 nan 8.150 nan 0.000 0.443 104 V N -0.215 119.573 119.914 -0.210 0.000 2.358 104 V HA -0.206 3.917 4.120 0.006 0.000 0.246 104 V C 2.480 178.495 176.094 -0.132 0.000 1.047 104 V CA 1.815 63.956 62.300 -0.264 0.000 1.035 104 V CB -0.809 30.663 31.823 -0.587 0.000 0.658 104 V HN 0.585 nan 8.190 nan 0.000 0.452 105 L N 1.087 122.284 121.223 -0.043 0.000 2.042 105 L HA -0.206 4.137 4.340 0.006 0.000 0.210 105 L C 1.984 178.874 176.870 0.032 0.000 1.076 105 L CA 2.157 57.065 54.840 0.113 0.000 0.749 105 L CB -1.166 40.988 42.059 0.159 0.000 0.893 105 L HN 0.415 nan 8.230 nan 0.000 0.432 106 N N -0.696 117.993 118.700 -0.018 0.000 2.166 106 N HA -0.166 4.577 4.740 0.006 0.000 0.186 106 N C 1.862 177.327 175.510 -0.075 0.000 1.019 106 N CA 1.530 54.552 53.050 -0.046 0.000 0.856 106 N CB -0.192 38.258 38.487 -0.062 0.000 0.993 106 N HN 0.406 nan 8.380 nan 0.000 0.426 107 I N 0.949 121.470 120.570 -0.082 0.000 2.353 107 I HA -0.197 3.976 4.170 0.006 0.000 0.248 107 I C 1.528 177.619 176.117 -0.043 0.000 1.119 107 I CA 1.053 62.276 61.300 -0.129 0.000 1.417 107 I CB -0.331 37.616 38.000 -0.088 0.000 1.078 107 I HN 0.170 nan 8.210 nan 0.000 0.421 108 N N 1.015 119.750 118.700 0.059 0.000 2.104 108 N HA -0.199 4.544 4.740 0.006 0.000 0.190 108 N C 1.772 177.321 175.510 0.065 0.000 1.024 108 N CA 1.202 54.326 53.050 0.123 0.000 0.853 108 N CB -0.056 38.505 38.487 0.123 0.000 1.008 108 N HN 0.309 nan 8.380 nan 0.000 0.424 109 K N 0.386 120.793 120.400 0.013 0.000 2.057 109 K HA -0.090 4.234 4.320 0.006 0.000 0.207 109 K C 2.268 178.851 176.600 -0.029 0.000 1.049 109 K CA 1.044 57.326 56.287 -0.009 0.000 0.931 109 K CB -0.275 32.214 32.500 -0.018 0.000 0.714 109 K HN 0.040 nan 8.250 nan 0.000 0.440 110 S N 0.228 115.870 115.700 -0.097 0.000 2.374 110 S HA -0.199 4.274 4.470 0.006 0.000 0.227 110 S C 1.887 176.399 174.600 -0.147 0.000 1.037 110 S CA 1.333 59.424 58.200 -0.181 0.000 1.024 110 S CB -0.269 62.735 63.200 -0.327 0.000 0.861 110 S HN 0.290 nan 8.310 nan 0.000 0.456 111 Y N 1.403 121.688 120.300 -0.025 0.000 2.373 111 Y HA 0.047 4.600 4.550 0.004 0.000 0.293 111 Y C 2.342 178.309 175.900 0.112 0.000 1.129 111 Y CA 0.915 59.029 58.100 0.024 0.000 1.226 111 Y CB -0.736 37.746 38.460 0.037 0.000 1.000 111 Y HN 0.390 nan 8.280 nan 0.000 0.549 112 D N 0.313 120.812 120.400 0.165 0.000 2.097 112 D HA -0.194 4.449 4.640 0.006 0.000 0.197 112 D C 1.945 178.328 176.300 0.137 0.000 0.984 112 D CA 1.628 55.680 54.000 0.088 0.000 0.826 112 D CB -0.146 40.642 40.800 -0.019 0.000 0.973 112 D HN 0.572 nan 8.370 nan 0.000 0.460 113 E N -0.008 120.238 120.200 0.077 0.000 2.204 113 E HA -0.223 4.131 4.350 0.006 0.000 0.195 113 E C 2.311 178.962 176.600 0.084 0.000 0.990 113 E CA 0.689 57.126 56.400 0.062 0.000 0.821 113 E CB -0.567 29.142 29.700 0.015 0.000 0.750 113 E HN 0.389 nan 8.360 nan 0.000 0.477 114 M N 0.287 119.938 119.600 0.085 0.000 2.080 114 M HA -0.164 4.319 4.480 0.006 0.000 0.260 114 M C 1.508 177.831 176.300 0.038 0.000 1.068 114 M CA 1.712 57.032 55.300 0.033 0.000 1.109 114 M CB -0.099 32.485 32.600 -0.026 0.000 1.342 114 M HN 0.133 nan 8.290 nan 0.000 0.405 115 F N -0.055 119.956 119.950 0.103 0.000 2.113 115 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 115 F C 2.692 178.544 175.800 0.086 0.000 1.103 115 F CA 1.656 59.724 58.000 0.112 0.000 1.248 115 F CB -0.667 38.384 39.000 0.086 0.000 0.999 115 F HN 0.142 nan 8.300 nan 0.000 0.475 116 R N 0.348 120.993 120.500 0.241 0.000 2.127 116 R HA -0.172 4.171 4.340 0.006 0.000 0.238 116 R C 0.676 177.038 176.300 0.103 0.000 1.134 116 R CA 1.794 57.978 56.100 0.141 0.000 0.975 116 R CB -0.285 30.073 30.300 0.097 0.000 0.865 116 R HN 0.212 nan 8.270 nan 0.000 0.447 117 D N -0.803 119.655 120.400 0.098 0.000 2.369 117 D HA 0.062 4.706 4.640 0.006 0.000 0.211 117 D C -0.388 175.960 176.300 0.080 0.000 1.077 117 D CA 0.447 54.493 54.000 0.077 0.000 0.842 117 D CB 0.997 41.837 40.800 0.066 0.000 0.947 117 D HN 0.021 nan 8.370 nan 0.000 0.509 118 T N 0.999 115.606 114.554 0.088 0.000 2.786 118 T HA 0.165 4.519 4.350 0.006 0.000 0.283 118 T C -0.042 174.686 174.700 0.046 0.000 0.992 118 T CA -0.661 61.473 62.100 0.056 0.000 0.954 118 T CB 2.553 71.454 68.868 0.055 0.000 0.934 118 T HN -0.207 nan 8.240 nan 0.000 0.440 119 E N 1.471 121.680 120.200 0.015 0.000 2.316 119 E HA 0.399 4.752 4.350 0.006 0.000 0.275 119 E C 1.232 177.842 176.600 0.016 0.000 1.029 119 E CA 0.799 57.213 56.400 0.023 0.000 0.871 119 E CB 0.962 30.664 29.700 0.003 0.000 1.022 119 E HN 1.020 nan 8.360 nan 0.000 0.418 120 G N 3.290 112.128 108.800 0.063 0.000 2.175 120 G HA2 -0.268 3.696 3.960 0.006 0.000 0.244 120 G HA3 -0.268 3.696 3.960 0.006 0.000 0.244 120 G C -0.189 174.799 174.900 0.148 0.000 0.982 120 G CA 0.283 45.434 45.100 0.085 0.000 0.641 120 G HN 0.411 nan 8.290 nan 0.000 0.527 121 L N 1.504 122.819 121.223 0.153 0.000 2.319 121 L HA 0.776 5.119 4.340 0.006 0.000 0.281 121 L C -0.310 176.796 176.870 0.394 0.000 1.005 121 L CA -0.888 54.085 54.840 0.222 0.000 0.828 121 L CB 1.291 43.382 42.059 0.054 0.000 1.227 121 L HN 0.253 nan 8.230 nan 0.000 0.415 122 E N 3.808 124.285 120.200 0.461 0.000 2.266 122 E HA 0.366 4.720 4.350 0.006 0.000 0.268 122 E C -1.701 175.019 176.600 0.199 0.000 0.879 122 E CA -0.669 55.932 56.400 0.335 0.000 0.762 122 E CB 2.637 32.489 29.700 0.253 0.000 1.199 122 E HN 0.411 nan 8.360 nan 0.000 0.422 123 F N 2.409 122.154 119.950 -0.341 0.000 2.450 123 F HA 0.561 5.092 4.527 0.006 0.000 0.332 123 F C -1.419 173.985 175.800 -0.659 0.000 1.093 123 F CA -0.738 56.911 58.000 -0.583 0.000 1.003 123 F CB 0.667 39.035 39.000 -1.052 0.000 1.151 123 F HN 0.327 nan 8.300 nan 0.000 0.474 124 F N 6.482 125.770 119.950 -1.104 0.000 2.507 124 F HA 0.432 4.968 4.527 0.015 0.000 0.328 124 F C -0.946 174.283 175.800 -0.951 0.000 1.136 124 F CA -0.927 56.640 58.000 -0.721 0.000 0.930 124 F CB 1.622 40.364 39.000 -0.429 0.000 1.166 124 F HN 0.266 nan 8.300 nan 0.000 0.436 125 L N 3.610 124.618 121.223 -0.358 0.000 2.281 125 L HA 0.846 5.189 4.340 0.006 0.000 0.285 125 L C 0.133 176.943 176.870 -0.099 0.000 1.074 125 L CA 0.571 55.302 54.840 -0.182 0.000 0.817 125 L CB 0.217 42.311 42.059 0.058 0.000 1.168 125 L HN 0.776 nan 8.230 nan 0.000 0.434 126 G N 3.076 111.780 108.800 -0.161 0.000 2.356 126 G HA2 0.052 4.016 3.960 0.006 0.000 0.288 126 G HA3 0.052 4.016 3.960 0.006 0.000 0.288 126 G C -2.229 172.522 174.900 -0.248 0.000 1.302 126 G CA -0.921 44.127 45.100 -0.086 0.000 0.887 126 G HN 0.420 nan 8.290 nan 0.000 0.521 127 W N 0.958 122.183 121.300 -0.126 0.000 2.314 127 W HA 0.598 5.262 4.660 0.007 0.000 0.310 127 W C 0.712 177.154 176.519 -0.128 0.000 1.075 127 W CA 0.273 57.527 57.345 -0.152 0.000 1.253 127 W CB 1.757 31.112 29.460 -0.174 0.000 1.238 127 W HN 0.839 nan 8.180 nan 0.000 0.440 128 G N 1.979 110.788 108.800 0.015 0.000 2.400 128 G HA2 0.606 4.570 3.960 0.006 0.000 0.301 128 G HA3 0.606 4.570 3.960 0.006 0.000 0.301 128 G C -0.641 174.265 174.900 0.010 0.000 1.154 128 G CA -0.510 44.576 45.100 -0.022 0.000 0.852 128 G HN 0.454 nan 8.290 nan 0.000 0.511 129 S N 0.306 115.999 115.700 -0.010 0.000 2.547 129 S HA 0.550 5.023 4.470 0.006 0.000 0.270 129 S C -1.231 173.353 174.600 -0.026 0.000 1.150 129 S CA -0.905 57.289 58.200 -0.010 0.000 0.850 129 S CB 1.422 64.620 63.200 -0.003 0.000 1.118 129 S HN 0.402 nan 8.310 nan 0.000 0.461 130 L N 2.245 123.454 121.223 -0.025 0.000 2.331 130 L HA 0.491 4.835 4.340 0.006 0.000 0.278 130 L C 1.672 178.524 176.870 -0.029 0.000 1.106 130 L CA 0.326 55.148 54.840 -0.030 0.000 0.824 130 L CB 0.474 42.516 42.059 -0.029 0.000 1.142 130 L HN 1.047 nan 8.230 nan 0.000 0.443 131 E N 1.143 121.325 120.200 -0.030 0.000 2.166 131 E HA 0.044 4.397 4.350 0.006 0.000 0.192 131 E C 0.036 176.620 176.600 -0.026 0.000 0.967 131 E CA 0.690 57.074 56.400 -0.027 0.000 0.840 131 E CB 0.555 30.239 29.700 -0.026 0.000 0.795 131 E HN 0.766 nan 8.360 nan 0.000 0.470 132 S N -1.254 114.429 115.700 -0.029 0.000 2.661 132 S HA 0.153 4.627 4.470 0.006 0.000 0.268 132 S C 0.092 174.671 174.600 -0.036 0.000 1.162 132 S CA -0.698 57.484 58.200 -0.030 0.000 0.817 132 S CB 0.834 64.018 63.200 -0.027 0.000 1.141 132 S HN 0.184 nan 8.310 nan 0.000 0.477 133 K N 0.341 120.716 120.400 -0.041 0.000 2.574 133 K HA 0.003 4.327 4.320 0.006 0.000 0.193 133 K C 0.442 177.009 176.600 -0.055 0.000 1.035 133 K CA 1.405 57.660 56.287 -0.054 0.000 0.982 133 K CB -0.723 31.739 32.500 -0.062 0.000 0.795 133 K HN 0.604 nan 8.250 nan 0.000 0.491 134 N N -0.207 118.468 118.700 -0.042 0.000 2.232 134 N HA 0.065 4.809 4.740 0.006 0.000 0.240 134 N C -1.113 174.385 175.510 -0.019 0.000 1.307 134 N CA -0.443 52.586 53.050 -0.035 0.000 0.859 134 N CB 0.879 39.342 38.487 -0.039 0.000 1.260 134 N HN -0.010 nan 8.380 nan 0.000 0.501 135 V N 0.774 120.673 119.914 -0.024 0.000 2.612 135 V HA 0.484 4.607 4.120 0.006 0.000 0.301 135 V C -0.831 175.241 176.094 -0.036 0.000 1.059 135 V CA -0.824 61.462 62.300 -0.023 0.000 0.886 135 V CB 2.209 34.019 31.823 -0.022 0.000 1.007 135 V HN -0.050 nan 8.190 nan 0.000 0.426 136 V N 4.790 124.673 119.914 -0.052 0.000 2.417 136 V HA 0.458 4.581 4.120 0.006 0.000 0.291 136 V C 0.000 176.041 176.094 -0.089 0.000 1.024 136 V CA -0.687 61.569 62.300 -0.073 0.000 0.861 136 V CB 1.871 33.634 31.823 -0.099 0.000 0.985 136 V HN 0.940 nan 8.190 nan 0.000 0.436 137 N N 2.380 121.039 118.700 -0.069 0.000 2.492 137 N HA 0.685 5.428 4.740 0.006 0.000 0.289 137 N C -1.199 174.269 175.510 -0.070 0.000 1.133 137 N CA -0.632 52.379 53.050 -0.064 0.000 0.961 137 N CB 2.220 40.685 38.487 -0.037 0.000 1.186 137 N HN 0.418 nan 8.380 nan 0.000 0.493 138 V N 1.893 121.767 119.914 -0.067 0.000 2.407 138 V HA 0.424 4.547 4.120 0.006 0.000 0.291 138 V C -0.081 176.018 176.094 0.009 0.000 1.018 138 V CA -0.564 61.707 62.300 -0.048 0.000 0.842 138 V CB 1.006 32.775 31.823 -0.090 0.000 0.996 138 V HN 0.648 nan 8.190 nan 0.000 0.426 139 R N 2.352 122.886 120.500 0.057 0.000 2.856 139 R HA 0.507 4.851 4.340 0.006 0.000 0.258 139 R C 0.575 176.958 176.300 0.137 0.000 1.066 139 R CA -0.875 55.268 56.100 0.070 0.000 1.045 139 R CB 1.665 31.989 30.300 0.039 0.000 1.178 139 R HN 0.553 nan 8.270 nan 0.000 0.499 140 E N 0.471 120.731 120.200 0.101 0.000 2.150 140 E HA -0.074 4.279 4.350 0.006 0.000 0.193 140 E C 0.474 177.181 176.600 0.178 0.000 0.985 140 E CA 1.188 57.669 56.400 0.134 0.000 0.814 140 E CB 0.213 29.958 29.700 0.075 0.000 0.752 140 E HN 0.581 nan 8.360 nan 0.000 0.466 141 S N -2.240 113.454 115.700 -0.010 0.000 2.705 141 S HA 0.602 5.076 4.470 0.006 0.000 0.280 141 S C 0.742 174.805 174.600 -0.895 0.000 1.174 141 S CA -0.239 57.699 58.200 -0.436 0.000 0.823 141 S CB 1.429 64.460 63.200 -0.282 0.000 1.162 141 S HN -0.043 nan 8.310 nan 0.000 0.487 142 A N 0.257 122.131 122.820 -1.578 0.000 2.019 142 A HA 0.111 4.434 4.320 0.006 0.000 0.219 142 A C 0.791 178.054 177.584 -0.535 0.000 1.164 142 A CA 1.530 52.823 52.037 -1.240 0.000 0.644 142 A CB -1.290 16.822 19.000 -1.479 0.000 0.805 142 A HN 0.891 nan 8.150 nan 0.000 0.449 143 D N 0.098 120.251 120.400 -0.412 0.000 2.434 143 D HA 0.115 4.759 4.640 0.006 0.000 0.252 143 D C -1.220 174.981 176.300 -0.164 0.000 1.185 143 D CA -1.503 52.358 54.000 -0.232 0.000 0.886 143 D CB 0.880 41.576 40.800 -0.175 0.000 1.148 143 D HN 0.122 nan 8.370 nan 0.000 0.483 144 P HA -0.082 nan 4.420 nan 0.000 0.231 144 P C 0.214 177.477 177.300 -0.062 0.000 1.158 144 P CA 0.513 63.564 63.100 -0.080 0.000 0.763 144 P CB 0.215 31.875 31.700 -0.066 0.000 0.805 145 A N -0.939 121.842 122.820 -0.065 0.000 2.460 145 A HA 0.280 4.603 4.320 0.006 0.000 0.258 145 A C 1.091 178.647 177.584 -0.047 0.000 1.300 145 A CA -0.128 51.880 52.037 -0.048 0.000 0.913 145 A CB -0.427 18.546 19.000 -0.045 0.000 1.031 145 A HN 0.146 nan 8.150 nan 0.000 0.512 146 S N 0.093 115.758 115.700 -0.057 0.000 2.632 146 S HA 0.587 5.060 4.470 0.006 0.000 0.267 146 S C 0.657 175.243 174.600 -0.024 0.000 1.276 146 S CA 0.051 58.222 58.200 -0.049 0.000 0.998 146 S CB 0.680 63.836 63.200 -0.075 0.000 0.953 146 S HN 0.901 nan 8.310 nan 0.000 0.547 147 A N 2.309 125.122 122.820 -0.010 0.000 2.477 147 A HA 0.400 4.723 4.320 0.006 0.000 0.246 147 A C -0.209 177.380 177.584 0.009 0.000 1.078 147 A CA -0.345 51.693 52.037 0.001 0.000 0.770 147 A CB -0.068 18.937 19.000 0.009 0.000 1.011 147 A HN 0.684 nan 8.150 nan 0.000 0.494 148 V N 4.571 124.488 119.914 0.006 0.000 2.427 148 V HA 0.058 4.181 4.120 0.006 0.000 0.268 148 V C 1.035 177.140 176.094 0.019 0.000 1.046 148 V CA 0.183 62.488 62.300 0.008 0.000 0.970 148 V CB 0.723 32.545 31.823 -0.002 0.000 1.001 148 V HN 1.065 nan 8.190 nan 0.000 0.476 149 K N 2.903 123.320 120.400 0.028 0.000 2.128 149 K HA 0.179 4.502 4.320 0.006 0.000 0.202 149 K C 0.347 176.974 176.600 0.045 0.000 1.050 149 K CA 0.616 56.929 56.287 0.043 0.000 0.966 149 K CB 0.339 32.874 32.500 0.059 0.000 0.759 149 K HN 0.584 nan 8.250 nan 0.000 0.454 150 E N 0.293 120.503 120.200 0.018 0.000 2.408 150 E HA 0.287 4.640 4.350 0.006 0.000 0.275 150 E C -1.410 175.157 176.600 -0.055 0.000 0.935 150 E CA -0.653 55.743 56.400 -0.006 0.000 0.775 150 E CB 2.590 32.273 29.700 -0.029 0.000 1.277 150 E HN -0.043 nan 8.360 nan 0.000 0.455 151 R N 2.229 122.697 120.500 -0.053 0.000 2.507 151 R HA 0.311 4.654 4.340 0.006 0.000 0.298 151 R C -1.262 175.006 176.300 -0.054 0.000 1.087 151 R CA -0.540 55.528 56.100 -0.054 0.000 0.917 151 R CB 0.457 30.744 30.300 -0.022 0.000 1.173 151 R HN 0.190 nan 8.270 nan 0.000 0.472 152 L N 3.773 124.939 121.223 -0.095 0.000 2.272 152 L HA 0.436 4.779 4.340 0.006 0.000 0.289 152 L C 0.242 177.130 176.870 0.030 0.000 1.032 152 L CA -0.240 54.581 54.840 -0.031 0.000 0.810 152 L CB 1.194 43.134 42.059 -0.198 0.000 1.205 152 L HN 0.635 nan 8.230 nan 0.000 0.422 153 E N 1.650 121.901 120.200 0.085 0.000 2.283 153 E HA 0.503 4.856 4.350 0.006 0.000 0.278 153 E C -0.250 176.421 176.600 0.118 0.000 1.027 153 E CA -0.149 56.288 56.400 0.062 0.000 0.843 153 E CB 1.937 31.657 29.700 0.034 0.000 1.062 153 E HN 0.546 nan 8.360 nan 0.000 0.401 154 T N 0.775 115.378 114.554 0.081 0.000 2.821 154 T HA 0.109 4.463 4.350 0.006 0.000 0.306 154 T C 0.167 174.899 174.700 0.055 0.000 1.313 154 T CA -0.567 61.606 62.100 0.123 0.000 1.012 154 T CB 1.794 70.748 68.868 0.144 0.000 1.298 154 T HN 0.581 nan 8.240 nan 0.000 0.502 155 E N -0.068 120.175 120.200 0.072 0.000 2.216 155 E HA 0.120 4.473 4.350 0.006 0.000 0.192 155 E C -0.415 176.000 176.600 -0.310 0.000 0.973 155 E CA 0.405 56.753 56.400 -0.086 0.000 0.851 155 E CB 0.275 29.969 29.700 -0.010 0.000 0.804 155 E HN 0.670 nan 8.360 nan 0.000 0.477 156 H N -1.082 118.099 119.070 0.184 0.000 2.806 156 H HA 0.456 5.015 4.556 0.005 0.000 0.367 156 H C -1.059 174.373 175.328 0.173 0.000 1.136 156 H CA -0.594 55.580 56.048 0.210 0.000 1.178 156 H CB 1.894 31.887 29.762 0.386 0.000 1.718 156 H HN -0.059 nan 8.280 nan 0.000 0.540 157 I N 2.748 123.438 120.570 0.199 0.000 2.509 157 I HA 0.269 4.443 4.170 0.006 0.000 0.293 157 I C -1.243 174.981 176.117 0.177 0.000 1.020 157 I CA -0.946 60.429 61.300 0.125 0.000 1.088 157 I CB 2.102 40.108 38.000 0.011 0.000 1.267 157 I HN 0.234 nan 8.210 nan 0.000 0.430 158 L N 7.375 128.708 121.223 0.182 0.000 2.376 158 L HA 0.538 4.882 4.340 0.006 0.000 0.275 158 L C -1.290 175.650 176.870 0.117 0.000 0.987 158 L CA -0.227 54.736 54.840 0.205 0.000 0.828 158 L CB 1.526 43.722 42.059 0.229 0.000 1.249 158 L HN 0.417 nan 8.230 nan 0.000 0.409 159 L N 6.007 127.290 121.223 0.100 0.000 2.261 159 L HA 0.712 5.056 4.340 0.006 0.000 0.289 159 L C 0.435 177.352 176.870 0.078 0.000 1.059 159 L CA -0.191 54.689 54.840 0.067 0.000 0.816 159 L CB 1.225 43.315 42.059 0.050 0.000 1.191 159 L HN 0.848 nan 8.230 nan 0.000 0.431 160 A N 1.236 124.096 122.820 0.067 0.000 3.045 160 A HA 0.248 4.571 4.320 0.006 0.000 0.244 160 A C 0.966 178.586 177.584 0.059 0.000 0.917 160 A CA -0.245 51.836 52.037 0.073 0.000 1.075 160 A CB 0.153 19.202 19.000 0.082 0.000 1.202 160 A HN 0.671 nan 8.150 nan 0.000 0.486 161 S N -0.669 115.062 115.700 0.051 0.000 2.607 161 S HA 0.388 4.861 4.470 0.006 0.000 0.224 161 S C 1.391 176.037 174.600 0.076 0.000 0.969 161 S CA 0.757 58.981 58.200 0.041 0.000 0.927 161 S CB -0.535 62.681 63.200 0.027 0.000 0.772 161 S HN 2.190 nan 8.310 nan 0.000 0.533 162 G N 1.615 110.472 108.800 0.096 0.000 2.575 162 G HA2 -0.209 3.755 3.960 0.006 0.000 0.267 162 G HA3 -0.209 3.755 3.960 0.006 0.000 0.267 162 G C -0.040 174.954 174.900 0.158 0.000 1.264 162 G CA 0.082 45.260 45.100 0.129 0.000 0.935 162 G HN 1.516 nan 8.290 nan 0.000 0.568 163 S N -1.523 114.302 115.700 0.209 0.000 2.806 163 S HA 0.837 5.310 4.470 0.006 0.000 0.315 163 S C -0.681 174.169 174.600 0.418 0.000 1.127 163 S CA 0.068 58.420 58.200 0.252 0.000 0.918 163 S CB 2.631 65.951 63.200 0.200 0.000 1.240 163 S HN 1.612 nan 8.310 nan 0.000 0.552 164 W N 1.172 122.538 121.300 0.110 0.000 3.296 164 W HA 0.390 5.053 4.660 0.005 0.000 0.314 164 W C -3.144 173.441 176.519 0.110 0.000 1.238 164 W CA -2.280 55.135 57.345 0.117 0.000 1.193 164 W CB 1.955 31.491 29.460 0.127 0.000 1.383 164 W HN 0.547 nan 8.180 nan 0.000 0.545 165 P HA -0.047 nan 4.420 nan 0.000 0.269 165 P C -1.018 176.308 177.300 0.042 0.000 1.209 165 P CA 0.512 63.522 63.100 -0.151 0.000 0.776 165 P CB 0.826 32.319 31.700 -0.346 0.000 0.876 166 H N 3.698 122.765 119.070 -0.006 0.000 2.640 166 H HA 0.317 4.877 4.556 0.006 0.000 0.297 166 H C -0.289 175.046 175.328 0.010 0.000 1.073 166 H CA -0.412 55.660 56.048 0.040 0.000 1.305 166 H CB 0.168 29.960 29.762 0.049 0.000 1.404 166 H HN 0.156 nan 8.280 nan 0.000 0.459 167 M N 7.726 127.100 119.600 -0.376 0.000 2.144 167 M HA 0.253 4.736 4.480 0.006 0.000 0.356 167 M C -2.359 173.637 176.300 -0.506 0.000 1.217 167 M CA -2.326 52.778 55.300 -0.327 0.000 1.087 167 M CB 1.076 33.586 32.600 -0.149 0.000 1.609 167 M HN 0.593 nan 8.290 nan 0.000 0.467 168 P HA 0.134 nan 4.420 nan 0.000 0.278 168 P C -0.605 176.622 177.300 -0.123 0.000 1.238 168 P CA -0.376 62.588 63.100 -0.226 0.000 0.794 168 P CB 0.616 32.261 31.700 -0.093 0.000 0.955 169 N N 2.975 121.638 118.700 -0.061 0.000 2.555 169 N HA 0.224 4.967 4.740 0.006 0.000 0.244 169 N C -0.275 175.219 175.510 -0.027 0.000 1.114 169 N CA -0.371 52.657 53.050 -0.037 0.000 0.963 169 N CB -0.936 37.546 38.487 -0.009 0.000 1.276 169 N HN 0.376 nan 8.380 nan 0.000 0.510 170 I N -0.691 119.855 120.570 -0.040 0.000 2.934 170 I HA 0.718 4.891 4.170 0.006 0.000 0.306 170 I C -2.605 173.488 176.117 -0.040 0.000 1.110 170 I CA -2.846 58.434 61.300 -0.033 0.000 1.019 170 I CB 2.157 40.135 38.000 -0.037 0.000 1.227 170 I HN 0.081 nan 8.210 nan 0.000 0.434 171 P HA 0.233 nan 4.420 nan 0.000 0.267 171 P C 0.616 177.898 177.300 -0.030 0.000 1.205 171 P CA 0.869 63.952 63.100 -0.028 0.000 0.765 171 P CB 0.815 32.507 31.700 -0.013 0.000 0.828 172 G N 3.003 111.768 108.800 -0.059 0.000 2.157 172 G HA2 -0.328 3.636 3.960 0.006 0.000 0.248 172 G HA3 -0.328 3.636 3.960 0.006 0.000 0.248 172 G C 0.875 175.683 174.900 -0.152 0.000 0.979 172 G CA 0.153 45.207 45.100 -0.077 0.000 0.650 172 G HN 0.544 nan 8.290 nan 0.000 0.529 173 I N 1.987 122.479 120.570 -0.129 0.000 2.399 173 I HA -0.110 4.064 4.170 0.006 0.000 0.254 173 I C 2.478 178.508 176.117 -0.145 0.000 1.146 173 I CA 2.314 63.546 61.300 -0.114 0.000 1.412 173 I CB -0.077 37.865 38.000 -0.096 0.000 1.076 173 I HN 0.506 nan 8.210 nan 0.000 0.432 174 E N -0.766 119.286 120.200 -0.248 0.000 2.516 174 E HA -0.219 4.135 4.350 0.006 0.000 0.199 174 E C 0.865 177.329 176.600 -0.227 0.000 1.069 174 E CA 0.986 57.245 56.400 -0.234 0.000 0.876 174 E CB -0.762 28.792 29.700 -0.243 0.000 0.843 174 E HN 0.600 nan 8.360 nan 0.000 0.530 175 H N -0.385 118.670 119.070 -0.025 0.000 2.586 175 H HA 0.244 4.803 4.556 0.006 0.000 0.273 175 H C 0.309 175.612 175.328 -0.041 0.000 0.997 175 H CA -0.359 55.673 56.048 -0.026 0.000 1.177 175 H CB 0.062 29.808 29.762 -0.027 0.000 1.471 175 H HN 0.145 nan 8.280 nan 0.000 0.538 176 C N 1.595 120.909 119.300 0.023 0.000 2.401 176 C HA 0.632 5.096 4.460 0.006 0.000 0.356 176 C C 1.110 176.070 174.990 -0.051 0.000 1.192 176 C CA -0.852 58.148 59.018 -0.030 0.000 2.028 176 C CB 1.340 29.044 27.740 -0.061 0.000 2.344 176 C HN 0.422 nan 8.230 nan 0.000 0.525 177 I N -0.010 120.509 120.570 -0.086 0.000 3.170 177 I HA 0.873 5.047 4.170 0.006 0.000 0.312 177 I C -0.058 175.957 176.117 -0.171 0.000 1.085 177 I CA -0.230 61.005 61.300 -0.109 0.000 0.999 177 I CB 1.987 39.927 38.000 -0.100 0.000 1.233 177 I HN 0.696 nan 8.210 nan 0.000 0.467 178 S N 0.102 115.663 115.700 -0.232 0.000 2.798 178 S HA 0.365 4.839 4.470 0.006 0.000 0.312 178 S C 0.873 175.241 174.600 -0.386 0.000 1.122 178 S CA 0.016 58.038 58.200 -0.297 0.000 0.949 178 S CB 1.172 64.166 63.200 -0.342 0.000 1.235 178 S HN 0.893 nan 8.310 nan 0.000 0.552 179 S N 0.590 116.036 115.700 -0.424 0.000 2.440 179 S HA -0.195 4.279 4.470 0.006 0.000 0.238 179 S C 1.270 175.623 174.600 -0.413 0.000 1.010 179 S CA 1.446 59.300 58.200 -0.577 0.000 0.972 179 S CB -1.251 61.737 63.200 -0.353 0.000 0.774 179 S HN 0.756 nan 8.310 nan 0.000 0.501 180 N N 1.726 120.211 118.700 -0.359 0.000 2.043 180 N HA -0.124 4.619 4.740 0.006 0.000 0.193 180 N C 1.671 176.993 175.510 -0.314 0.000 1.037 180 N CA 1.665 54.457 53.050 -0.429 0.000 0.851 180 N CB -0.206 37.627 38.487 -1.090 0.000 1.027 180 N HN 0.455 nan 8.380 nan 0.000 0.422 181 E N 0.499 120.503 120.200 -0.327 0.000 2.208 181 E HA 0.034 4.388 4.350 0.006 0.000 0.193 181 E C 1.826 178.497 176.600 0.117 0.000 0.988 181 E CA 0.568 56.978 56.400 0.018 0.000 0.828 181 E CB -0.123 29.581 29.700 0.006 0.000 0.763 181 E HN 0.352 nan 8.360 nan 0.000 0.478 182 A N 0.181 122.929 122.820 -0.120 0.000 2.024 182 A HA -0.165 4.158 4.320 0.006 0.000 0.220 182 A C 1.507 179.100 177.584 0.014 0.000 1.164 182 A CA 1.023 52.980 52.037 -0.132 0.000 0.643 182 A CB -0.696 17.912 19.000 -0.654 0.000 0.806 182 A HN 0.236 nan 8.150 nan 0.000 0.451 183 F N -2.366 117.641 119.950 0.095 0.000 2.661 183 F HA 0.037 4.568 4.527 0.007 0.000 0.298 183 F C 0.839 176.419 175.800 -0.368 0.000 1.137 183 F CA 0.697 58.621 58.000 -0.126 0.000 1.454 183 F CB -0.228 38.599 39.000 -0.289 0.000 1.103 183 F HN 0.317 nan 8.300 nan 0.000 0.577 184 Y N -0.653 119.871 120.300 0.373 0.000 2.706 184 Y HA 0.335 4.888 4.550 0.005 0.000 0.255 184 Y C 0.287 176.372 175.900 0.310 0.000 1.163 184 Y CA -0.833 57.454 58.100 0.312 0.000 1.174 184 Y CB -0.202 38.446 38.460 0.315 0.000 1.200 184 Y HN -0.240 nan 8.280 nan 0.000 0.544 185 L N 2.406 123.920 121.223 0.485 0.000 2.456 185 L HA 0.093 4.437 4.340 0.006 0.000 0.272 185 L C -1.419 175.795 176.870 0.574 0.000 1.189 185 L CA -1.241 53.876 54.840 0.461 0.000 0.846 185 L CB 0.834 43.135 42.059 0.403 0.000 1.111 185 L HN 0.014 nan 8.230 nan 0.000 0.475 186 P HA 0.018 nan 4.420 nan 0.000 0.224 186 P C -0.475 177.031 177.300 0.342 0.000 1.157 186 P CA 0.934 64.226 63.100 0.320 0.000 0.799 186 P CB 0.481 32.293 31.700 0.186 0.000 0.809 187 E N -1.044 119.233 120.200 0.129 0.000 2.390 187 E HA 0.321 4.674 4.350 0.006 0.000 0.277 187 E C -2.804 173.429 176.600 -0.612 0.000 0.939 187 E CA -2.388 53.933 56.400 -0.132 0.000 0.769 187 E CB 2.405 32.073 29.700 -0.054 0.000 1.251 187 E HN -0.065 nan 8.360 nan 0.000 0.450 188 P HA 0.297 nan 4.420 nan 0.000 0.284 188 P C -2.691 174.348 177.300 -0.435 0.000 1.253 188 P CA -1.764 60.801 63.100 -0.893 0.000 0.800 188 P CB 0.440 31.738 31.700 -0.670 0.000 0.961 189 P HA 0.194 nan 4.420 nan 0.000 0.276 189 P C 1.041 178.216 177.300 -0.208 0.000 1.230 189 P CA -0.328 62.587 63.100 -0.309 0.000 0.776 189 P CB 0.624 32.073 31.700 -0.418 0.000 0.888 190 R N 3.082 123.509 120.500 -0.123 0.000 2.075 190 R HA 0.079 4.423 4.340 0.006 0.000 0.226 190 R C 0.200 176.473 176.300 -0.046 0.000 1.114 190 R CA 0.700 56.758 56.100 -0.069 0.000 0.972 190 R CB -0.025 30.250 30.300 -0.042 0.000 0.869 190 R HN 0.316 nan 8.270 nan 0.000 0.437 191 R N 1.271 121.752 120.500 -0.031 0.000 2.360 191 R HA 0.438 4.782 4.340 0.006 0.000 0.318 191 R C -1.540 174.794 176.300 0.055 0.000 0.950 191 R CA -0.498 55.638 56.100 0.060 0.000 0.837 191 R CB 2.510 32.858 30.300 0.079 0.000 1.165 191 R HN 0.042 nan 8.270 nan 0.000 0.458 192 V N 4.934 124.847 119.914 -0.002 0.000 2.876 192 V HA 0.593 4.717 4.120 0.006 0.000 0.312 192 V C -1.720 174.207 176.094 -0.279 0.000 1.085 192 V CA -1.015 61.161 62.300 -0.207 0.000 0.945 192 V CB 2.164 33.680 31.823 -0.512 0.000 1.017 192 V HN 0.598 nan 8.190 nan 0.000 0.428 193 L N 5.779 126.694 121.223 -0.513 0.000 2.376 193 L HA 0.794 5.138 4.340 0.006 0.000 0.275 193 L C -0.058 176.613 176.870 -0.332 0.000 0.987 193 L CA 0.203 54.647 54.840 -0.660 0.000 0.828 193 L CB 2.123 43.355 42.059 -1.378 0.000 1.249 193 L HN 0.882 nan 8.230 nan 0.000 0.409 194 T N 2.156 116.610 114.554 -0.167 0.000 2.770 194 T HA 0.549 4.902 4.350 0.006 0.000 0.297 194 T C -0.208 174.458 174.700 -0.056 0.000 0.997 194 T CA -0.666 61.390 62.100 -0.073 0.000 0.949 194 T CB 0.803 69.691 68.868 0.033 0.000 0.941 194 T HN 0.316 nan 8.240 nan 0.000 0.457 195 V N 3.873 123.750 119.914 -0.061 0.000 2.372 195 V HA 0.724 4.847 4.120 0.006 0.000 0.261 195 V C 0.983 177.089 176.094 0.019 0.000 1.055 195 V CA 0.419 62.717 62.300 -0.004 0.000 0.930 195 V CB -0.143 31.666 31.823 -0.023 0.000 1.031 195 V HN 1.414 nan 8.190 nan 0.000 0.479 196 G N 3.541 112.382 108.800 0.067 0.000 2.312 196 G HA2 0.372 4.336 3.960 0.006 0.000 0.347 196 G HA3 0.372 4.336 3.960 0.006 0.000 0.347 196 G C 0.102 174.961 174.900 -0.069 0.000 1.564 196 G CA -0.298 44.828 45.100 0.042 0.000 0.981 196 G HN 0.881 nan 8.290 nan 0.000 0.678 197 G N -0.541 108.056 108.800 -0.337 0.000 3.159 197 G HA2 0.594 4.557 3.960 0.006 0.000 0.232 197 G HA3 0.594 4.557 3.960 0.006 0.000 0.232 197 G C 0.928 175.611 174.900 -0.361 0.000 1.116 197 G CA 1.151 45.899 45.100 -0.586 0.000 0.767 197 G HN 1.291 nan 8.290 nan 0.000 0.547 198 G N 0.172 108.845 108.800 -0.210 0.000 2.621 198 G HA2 0.348 4.312 3.960 0.006 0.000 0.271 198 G HA3 0.348 4.312 3.960 0.006 0.000 0.271 198 G C 0.867 175.737 174.900 -0.050 0.000 1.236 198 G CA -0.178 44.879 45.100 -0.072 0.000 0.958 198 G HN 0.273 nan 8.290 nan 0.000 0.512 199 F N -0.877 119.059 119.950 -0.023 0.000 2.171 199 F HA 0.009 4.539 4.527 0.005 0.000 0.300 199 F C 2.169 177.981 175.800 0.020 0.000 1.090 199 F CA 0.974 58.952 58.000 -0.037 0.000 1.293 199 F CB -0.460 38.539 39.000 -0.001 0.000 1.013 199 F HN 0.207 nan 8.300 nan 0.000 0.486 200 I N 0.282 120.351 120.570 -0.835 0.000 2.179 200 I HA -0.297 3.876 4.170 0.006 0.000 0.242 200 I C 2.891 178.969 176.117 -0.066 0.000 1.088 200 I CA 1.671 62.699 61.300 -0.454 0.000 1.357 200 I CB -0.722 36.959 38.000 -0.531 0.000 1.051 200 I HN 0.399 nan 8.210 nan 0.000 0.409 201 S N 0.329 115.967 115.700 -0.102 0.000 2.356 201 S HA -0.153 4.320 4.470 0.006 0.000 0.223 201 S C 2.099 176.713 174.600 0.022 0.000 1.032 201 S CA 1.525 59.713 58.200 -0.021 0.000 1.005 201 S CB -0.254 62.912 63.200 -0.058 0.000 0.867 201 S HN 0.227 nan 8.310 nan 0.000 0.449 202 V N 1.662 121.565 119.914 -0.017 0.000 2.343 202 V HA -0.150 3.974 4.120 0.006 0.000 0.247 202 V C 2.438 178.534 176.094 0.005 0.000 1.051 202 V CA 2.148 64.441 62.300 -0.011 0.000 1.036 202 V CB -0.743 31.051 31.823 -0.048 0.000 0.654 202 V HN 0.536 nan 8.190 nan 0.000 0.451 203 E N -0.722 119.484 120.200 0.009 0.000 2.047 203 E HA -0.173 4.181 4.350 0.006 0.000 0.191 203 E C 2.078 178.584 176.600 -0.158 0.000 0.987 203 E CA 1.308 57.682 56.400 -0.044 0.000 0.799 203 E CB -0.198 29.492 29.700 -0.017 0.000 0.752 203 E HN 0.566 nan 8.360 nan 0.000 0.449 204 F N 0.912 120.764 119.950 -0.163 0.000 2.234 204 F HA -0.118 4.412 4.527 0.005 0.000 0.299 204 F C 2.313 177.956 175.800 -0.262 0.000 1.087 204 F CA 0.978 58.770 58.000 -0.347 0.000 1.340 204 F CB -0.293 38.469 39.000 -0.396 0.000 1.031 204 F HN 0.007 nan 8.300 nan 0.000 0.500 205 A N 0.028 122.925 122.820 0.129 0.000 1.933 205 A HA -0.100 4.224 4.320 0.006 0.000 0.218 205 A C 2.563 180.221 177.584 0.123 0.000 1.175 205 A CA 1.793 53.940 52.037 0.183 0.000 0.628 205 A CB -1.551 17.517 19.000 0.114 0.000 0.814 205 A HN 0.400 nan 8.150 nan 0.000 0.444 206 G N -0.154 108.669 108.800 0.038 0.000 2.408 206 G HA2 -0.135 3.828 3.960 0.006 0.000 0.217 206 G HA3 -0.135 3.828 3.960 0.006 0.000 0.217 206 G C 1.527 176.457 174.900 0.050 0.000 1.150 206 G CA 1.014 46.134 45.100 0.032 0.000 0.776 206 G HN 0.471 nan 8.290 nan 0.000 0.542 207 I N -0.027 120.521 120.570 -0.037 0.000 2.142 207 I HA -0.134 4.040 4.170 0.006 0.000 0.240 207 I C 2.426 178.684 176.117 0.235 0.000 1.078 207 I CA 0.947 62.260 61.300 0.021 0.000 1.343 207 I CB -0.283 37.556 38.000 -0.269 0.000 1.046 207 I HN 0.041 nan 8.210 nan 0.000 0.405 208 F N 0.774 120.860 119.950 0.227 0.000 2.202 208 F HA -0.227 4.303 4.527 0.006 0.000 0.301 208 F C 2.335 178.210 175.800 0.125 0.000 1.082 208 F CA 1.312 59.403 58.000 0.152 0.000 1.313 208 F CB -1.321 37.723 39.000 0.073 0.000 1.024 208 F HN 0.228 nan 8.300 nan 0.000 0.495 209 N N 0.146 119.014 118.700 0.280 0.000 2.244 209 N HA -0.133 4.611 4.740 0.006 0.000 0.183 209 N C 1.824 177.410 175.510 0.126 0.000 1.016 209 N CA 0.948 54.097 53.050 0.165 0.000 0.866 209 N CB 0.009 38.562 38.487 0.110 0.000 0.980 209 N HN 0.266 nan 8.380 nan 0.000 0.430 210 A N -0.716 122.189 122.820 0.142 0.000 2.081 210 A HA 0.027 4.350 4.320 0.006 0.000 0.214 210 A C 0.722 178.247 177.584 -0.098 0.000 1.158 210 A CA 0.478 52.514 52.037 -0.000 0.000 0.724 210 A CB -0.194 18.770 19.000 -0.061 0.000 0.826 210 A HN 0.400 nan 8.150 nan 0.000 0.463 211 Y N 0.766 121.184 120.300 0.195 0.000 2.555 211 Y HA 0.154 4.708 4.550 0.006 0.000 0.259 211 Y C 0.863 176.830 175.900 0.112 0.000 1.179 211 Y CA -0.665 57.564 58.100 0.215 0.000 1.230 211 Y CB 0.514 39.231 38.460 0.428 0.000 1.146 211 Y HN 0.157 nan 8.280 nan 0.000 0.526 212 K N 2.365 122.868 120.400 0.172 0.000 2.326 212 K HA 0.204 4.528 4.320 0.006 0.000 0.275 212 K C -2.800 173.833 176.600 0.055 0.000 1.018 212 K CA -1.504 54.831 56.287 0.080 0.000 0.962 212 K CB 0.367 32.901 32.500 0.057 0.000 0.953 212 K HN 0.022 nan 8.250 nan 0.000 0.475 213 P HA 0.001 nan 4.420 nan 0.000 0.273 213 P C 0.113 177.425 177.300 0.021 0.000 1.250 213 P CA -0.351 62.765 63.100 0.026 0.000 0.793 213 P CB 0.469 32.172 31.700 0.006 0.000 1.011 214 K N 0.739 121.153 120.400 0.023 0.000 2.163 214 K HA -0.251 4.072 4.320 0.006 0.000 0.222 214 K C 0.611 177.219 176.600 0.012 0.000 0.990 214 K CA 2.459 58.757 56.287 0.019 0.000 0.959 214 K CB -1.970 30.540 32.500 0.016 0.000 0.882 214 K HN 0.399 nan 8.250 nan 0.000 0.472 215 D N 0.777 121.180 120.400 0.005 0.000 2.615 215 D HA 0.219 4.863 4.640 0.006 0.000 0.236 215 D C 0.418 176.719 176.300 0.001 0.000 1.233 215 D CA 0.346 54.347 54.000 0.001 0.000 0.829 215 D CB 0.087 40.884 40.800 -0.005 0.000 1.024 215 D HN 0.453 nan 8.370 nan 0.000 0.490 216 G N 0.586 109.390 108.800 0.006 0.000 2.569 216 G HA2 0.298 4.262 3.960 0.006 0.000 0.249 216 G HA3 0.298 4.262 3.960 0.006 0.000 0.249 216 G C -0.203 174.709 174.900 0.020 0.000 1.216 216 G CA 0.012 45.116 45.100 0.008 0.000 0.845 216 G HN 0.039 nan 8.290 nan 0.000 0.568 217 Q N -0.466 119.352 119.800 0.029 0.000 2.295 217 Q HA 0.470 4.814 4.340 0.006 0.000 0.268 217 Q C -1.407 174.633 176.000 0.067 0.000 1.010 217 Q CA -0.527 55.305 55.803 0.048 0.000 0.856 217 Q CB 2.279 31.048 28.738 0.051 0.000 1.349 217 Q HN 0.443 nan 8.270 nan 0.000 0.412 218 V N 3.425 123.382 119.914 0.071 0.000 2.398 218 V HA 0.682 4.806 4.120 0.006 0.000 0.286 218 V C -0.562 175.578 176.094 0.076 0.000 1.026 218 V CA -0.345 62.000 62.300 0.075 0.000 0.868 218 V CB 1.843 33.733 31.823 0.112 0.000 0.982 218 V HN 0.876 nan 8.190 nan 0.000 0.443 219 T N 6.629 121.220 114.554 0.061 0.000 2.824 219 T HA 0.500 4.854 4.350 0.006 0.000 0.282 219 T C -0.884 173.811 174.700 -0.009 0.000 0.993 219 T CA -0.382 61.754 62.100 0.061 0.000 0.967 219 T CB 1.457 70.433 68.868 0.180 0.000 0.960 219 T HN 0.366 nan 8.240 nan 0.000 0.441 220 L N 4.690 125.923 121.223 0.018 0.000 2.322 220 L HA 0.796 5.140 4.340 0.006 0.000 0.281 220 L C -0.424 176.469 176.870 0.039 0.000 1.014 220 L CA -0.720 54.131 54.840 0.018 0.000 0.815 220 L CB 0.487 42.564 42.059 0.029 0.000 1.247 220 L HN 1.005 nan 8.230 nan 0.000 0.421 221 C N 3.734 123.071 119.300 0.062 0.000 2.634 221 C HA 0.777 5.241 4.460 0.006 0.000 0.313 221 C C -0.992 174.115 174.990 0.195 0.000 1.198 221 C CA -0.931 58.152 59.018 0.108 0.000 1.605 221 C CB 1.154 28.985 27.740 0.152 0.000 2.196 221 C HN 0.842 nan 8.230 nan 0.000 0.486 222 Y N 1.845 122.160 120.300 0.025 0.000 2.470 222 Y HA 0.511 5.065 4.550 0.006 0.000 0.341 222 Y C 1.062 176.983 175.900 0.035 0.000 1.021 222 Y CA -1.133 56.986 58.100 0.032 0.000 1.025 222 Y CB 1.456 39.931 38.460 0.024 0.000 1.266 222 Y HN 0.963 nan 8.280 nan 0.000 0.448 223 R N 2.708 122.995 120.500 -0.354 0.000 2.083 223 R HA -0.007 4.336 4.340 0.006 0.000 0.237 223 R C 0.986 176.925 176.300 -0.601 0.000 1.137 223 R CA 1.615 57.487 56.100 -0.380 0.000 0.951 223 R CB -0.540 29.634 30.300 -0.210 0.000 0.851 223 R HN 0.928 nan 8.270 nan 0.000 0.434 224 G N -0.687 107.330 108.800 -1.305 0.000 2.489 224 G HA2 -0.042 3.922 3.960 0.006 0.000 0.271 224 G HA3 -0.042 3.922 3.960 0.006 0.000 0.271 224 G C 0.128 174.803 174.900 -0.375 0.000 1.427 224 G CA -0.332 44.321 45.100 -0.746 0.000 1.057 224 G HN 0.306 nan 8.290 nan 0.000 0.532 225 E N -1.358 118.781 120.200 -0.102 0.000 2.076 225 E HA 0.067 4.421 4.350 0.006 0.000 0.190 225 E C 0.728 177.388 176.600 0.100 0.000 0.979 225 E CA 0.660 57.064 56.400 0.006 0.000 0.807 225 E CB 0.167 29.883 29.700 0.028 0.000 0.761 225 E HN 0.317 nan 8.360 nan 0.000 0.454 226 M N 0.422 120.156 119.600 0.224 0.000 2.520 226 M HA 0.289 4.772 4.480 0.006 0.000 0.283 226 M C -1.067 175.409 176.300 0.294 0.000 1.237 226 M CA -0.686 54.747 55.300 0.222 0.000 0.885 226 M CB 2.201 34.884 32.600 0.139 0.000 1.727 226 M HN -0.084 nan 8.290 nan 0.000 0.468 227 I N 0.294 120.942 120.570 0.129 0.000 3.060 227 I HA 0.240 4.413 4.170 0.006 0.000 0.285 227 I C -0.128 175.947 176.117 -0.071 0.000 1.190 227 I CA -0.683 60.577 61.300 -0.066 0.000 1.363 227 I CB 0.285 38.239 38.000 -0.076 0.000 1.396 227 I HN 0.857 nan 8.210 nan 0.000 0.607 228 L N 1.215 122.348 121.223 -0.150 0.000 3.713 228 L HA -0.189 4.154 4.340 0.006 0.000 0.499 228 L C 0.619 177.596 176.870 0.177 0.000 1.281 228 L CA 0.366 55.188 54.840 -0.031 0.000 0.796 228 L CB -1.231 40.709 42.059 -0.199 0.000 1.535 228 L HN 0.835 nan 8.230 nan 0.000 0.851 229 R N 1.180 121.746 120.500 0.109 0.000 2.522 229 R HA 0.304 4.648 4.340 0.006 0.000 0.284 229 R C 1.332 177.753 176.300 0.202 0.000 1.032 229 R CA 1.222 57.420 56.100 0.164 0.000 1.049 229 R CB 0.498 30.893 30.300 0.159 0.000 0.956 229 R HN 0.548 nan 8.270 nan 0.000 0.422 230 G N 3.099 111.979 108.800 0.133 0.000 2.232 230 G HA2 -0.249 3.714 3.960 0.006 0.000 0.226 230 G HA3 -0.249 3.714 3.960 0.006 0.000 0.226 230 G C -0.273 174.544 174.900 -0.137 0.000 0.996 230 G CA -0.162 44.937 45.100 -0.003 0.000 0.626 230 G HN 0.508 nan 8.290 nan 0.000 0.509 231 F N 1.306 121.257 119.950 0.001 0.000 2.408 231 F HA 0.576 5.106 4.527 0.005 0.000 0.325 231 F C 0.772 176.540 175.800 -0.053 0.000 1.082 231 F CA -0.456 57.528 58.000 -0.027 0.000 1.032 231 F CB 0.825 39.813 39.000 -0.020 0.000 1.259 231 F HN 0.064 nan 8.300 nan 0.000 0.503 232 D N 0.179 120.602 120.400 0.037 0.000 2.531 232 D HA -0.067 4.577 4.640 0.006 0.000 0.239 232 D C 1.242 177.573 176.300 0.051 0.000 1.144 232 D CA 0.528 54.489 54.000 -0.064 0.000 0.869 232 D CB 0.415 41.066 40.800 -0.250 0.000 1.160 232 D HN 0.652 nan 8.370 nan 0.000 0.484 233 H N 0.783 119.863 119.070 0.017 0.000 2.422 233 H HA -0.137 4.423 4.556 0.006 0.000 0.298 233 H C 1.446 176.799 175.328 0.041 0.000 1.098 233 H CA 1.598 57.671 56.048 0.042 0.000 1.315 233 H CB -0.251 29.541 29.762 0.050 0.000 1.382 233 H HN 0.350 nan 8.280 nan 0.000 0.523 234 T N 1.130 115.378 114.554 -0.510 0.000 2.777 234 T HA -0.065 4.289 4.350 0.006 0.000 0.266 234 T C 1.812 176.434 174.700 -0.129 0.000 1.040 234 T CA 1.175 63.084 62.100 -0.319 0.000 1.141 234 T CB -0.167 68.524 68.868 -0.294 0.000 0.868 234 T HN 0.110 nan 8.240 nan 0.000 0.444 235 L N 1.027 122.194 121.223 -0.093 0.000 2.093 235 L HA 0.048 4.392 4.340 0.006 0.000 0.208 235 L C 2.524 179.361 176.870 -0.055 0.000 1.085 235 L CA 1.492 56.292 54.840 -0.067 0.000 0.755 235 L CB -0.753 41.285 42.059 -0.034 0.000 0.904 235 L HN 0.156 nan 8.230 nan 0.000 0.435 236 R N -0.460 120.031 120.500 -0.016 0.000 2.081 236 R HA -0.145 4.198 4.340 0.006 0.000 0.235 236 R C 2.144 178.441 176.300 -0.004 0.000 1.131 236 R CA 1.370 57.469 56.100 -0.001 0.000 0.960 236 R CB -0.325 30.011 30.300 0.060 0.000 0.856 236 R HN 0.489 nan 8.270 nan 0.000 0.436 237 E N 0.321 120.522 120.200 0.001 0.000 2.047 237 E HA -0.154 4.199 4.350 0.006 0.000 0.191 237 E C 1.991 178.581 176.600 -0.016 0.000 0.987 237 E CA 0.684 57.086 56.400 0.003 0.000 0.799 237 E CB 0.056 29.764 29.700 0.012 0.000 0.752 237 E HN 0.222 nan 8.360 nan 0.000 0.449 238 E N 0.826 121.005 120.200 -0.035 0.000 2.077 238 E HA -0.168 4.185 4.350 0.006 0.000 0.193 238 E C 2.146 178.719 176.600 -0.044 0.000 0.989 238 E CA 0.597 56.973 56.400 -0.041 0.000 0.800 238 E CB -0.217 29.446 29.700 -0.062 0.000 0.746 238 E HN 0.127 nan 8.360 nan 0.000 0.452 239 L N 1.063 122.250 121.223 -0.061 0.000 2.083 239 L HA -0.118 4.226 4.340 0.006 0.000 0.209 239 L C 2.147 178.989 176.870 -0.047 0.000 1.083 239 L CA 1.753 56.553 54.840 -0.065 0.000 0.752 239 L CB -0.860 41.141 42.059 -0.097 0.000 0.899 239 L HN 0.042 nan 8.230 nan 0.000 0.433 240 T N -0.358 114.175 114.554 -0.036 0.000 2.720 240 T HA -0.212 4.141 4.350 0.006 0.000 0.268 240 T C 1.858 176.538 174.700 -0.033 0.000 1.037 240 T CA 1.809 63.894 62.100 -0.026 0.000 1.144 240 T CB -0.145 68.718 68.868 -0.008 0.000 0.864 240 T HN 0.377 nan 8.240 nan 0.000 0.444 241 K N 0.994 121.375 120.400 -0.032 0.000 2.026 241 K HA -0.107 4.216 4.320 0.006 0.000 0.208 241 K C 2.638 179.195 176.600 -0.072 0.000 1.048 241 K CA 1.326 57.587 56.287 -0.043 0.000 0.929 241 K CB -0.188 32.299 32.500 -0.022 0.000 0.713 241 K HN 0.439 nan 8.250 nan 0.000 0.439 242 Q N 0.629 120.410 119.800 -0.033 0.000 2.167 242 Q HA -0.087 4.257 4.340 0.006 0.000 0.202 242 Q C 2.205 178.168 176.000 -0.061 0.000 0.970 242 Q CA 0.991 56.793 55.803 -0.002 0.000 0.855 242 Q CB -0.075 28.720 28.738 0.095 0.000 0.911 242 Q HN 0.311 nan 8.270 nan 0.000 0.438 243 L N -0.097 121.095 121.223 -0.051 0.000 2.072 243 L HA -0.137 4.206 4.340 0.006 0.000 0.205 243 L C 2.350 179.176 176.870 -0.074 0.000 1.079 243 L CA 1.175 55.987 54.840 -0.045 0.000 0.752 243 L CB -0.520 41.521 42.059 -0.029 0.000 0.906 243 L HN 0.221 nan 8.230 nan 0.000 0.436 244 T N 0.008 114.510 114.554 -0.086 0.000 2.788 244 T HA -0.157 4.197 4.350 0.006 0.000 0.268 244 T C 1.935 176.542 174.700 -0.155 0.000 1.044 244 T CA 1.241 63.286 62.100 -0.092 0.000 1.139 244 T CB -0.236 68.586 68.868 -0.075 0.000 0.867 244 T HN 0.426 nan 8.240 nan 0.000 0.454 245 A N 1.592 124.251 122.820 -0.267 0.000 2.070 245 A HA -0.033 4.291 4.320 0.006 0.000 0.220 245 A C 1.958 179.278 177.584 -0.440 0.000 1.159 245 A CA 1.182 52.934 52.037 -0.475 0.000 0.656 245 A CB -0.455 17.987 19.000 -0.930 0.000 0.800 245 A HN 0.397 nan 8.150 nan 0.000 0.453 246 N N -0.988 117.555 118.700 -0.263 0.000 2.279 246 N HA 0.267 5.011 4.740 0.006 0.000 0.226 246 N C 0.810 176.290 175.510 -0.050 0.000 1.126 246 N CA 0.842 53.826 53.050 -0.110 0.000 0.846 246 N CB 0.099 38.578 38.487 -0.013 0.000 1.050 246 N HN 0.490 nan 8.380 nan 0.000 0.502 247 G N 0.125 108.886 108.800 -0.065 0.000 2.157 247 G HA2 -0.239 3.724 3.960 0.006 0.000 0.248 247 G HA3 -0.239 3.724 3.960 0.006 0.000 0.248 247 G C -0.043 174.853 174.900 -0.005 0.000 0.979 247 G CA -0.046 45.038 45.100 -0.027 0.000 0.650 247 G HN 0.314 nan 8.290 nan 0.000 0.529 248 I N 1.192 121.756 120.570 -0.010 0.000 2.331 248 I HA 0.271 4.444 4.170 0.006 0.000 0.292 248 I C 0.734 176.855 176.117 0.006 0.000 0.998 248 I CA -0.445 60.862 61.300 0.012 0.000 1.267 248 I CB 1.583 39.594 38.000 0.017 0.000 1.386 248 I HN 0.187 nan 8.210 nan 0.000 0.476 249 Q N 7.171 126.985 119.800 0.023 0.000 2.294 249 Q HA 0.433 4.777 4.340 0.006 0.000 0.257 249 Q C -1.077 174.935 176.000 0.021 0.000 0.955 249 Q CA -0.352 55.463 55.803 0.020 0.000 0.936 249 Q CB 0.945 29.706 28.738 0.038 0.000 1.188 249 Q HN 0.590 nan 8.270 nan 0.000 0.420 250 I N 5.846 126.421 120.570 0.008 0.000 2.355 250 I HA 0.244 4.418 4.170 0.006 0.000 0.288 250 I C -0.669 175.448 176.117 0.002 0.000 0.999 250 I CA -0.622 60.685 61.300 0.013 0.000 1.163 250 I CB 1.209 39.216 38.000 0.013 0.000 1.316 250 I HN 0.507 nan 8.210 nan 0.000 0.454 251 L N 7.097 128.318 121.223 -0.002 0.000 2.283 251 L HA 0.390 4.733 4.340 0.006 0.000 0.281 251 L C 0.398 177.256 176.870 -0.019 0.000 1.033 251 L CA -0.404 54.407 54.840 -0.049 0.000 0.848 251 L CB 1.094 43.075 42.059 -0.129 0.000 1.226 251 L HN 0.623 nan 8.230 nan 0.000 0.429 252 T N -1.248 113.298 114.554 -0.013 0.000 2.936 252 T HA 0.412 4.766 4.350 0.006 0.000 0.282 252 T C 0.575 175.235 174.700 -0.067 0.000 1.003 252 T CA -0.791 61.309 62.100 0.000 0.000 1.005 252 T CB 1.671 70.569 68.868 0.051 0.000 1.097 252 T HN 0.461 nan 8.240 nan 0.000 0.532 253 K N -0.683 119.650 120.400 -0.111 0.000 3.274 253 K HA -0.120 4.203 4.320 0.006 0.000 0.300 253 K C -0.512 176.037 176.600 -0.085 0.000 1.230 253 K CA 0.906 57.130 56.287 -0.105 0.000 0.884 253 K CB -1.158 31.298 32.500 -0.074 0.000 1.242 253 K HN 0.787 nan 8.250 nan 0.000 0.467 254 E N 0.767 120.918 120.200 -0.082 0.000 2.199 254 E HA 0.422 4.775 4.350 0.006 0.000 0.269 254 E C -0.725 175.941 176.600 0.109 0.000 0.899 254 E CA -0.707 55.663 56.400 -0.050 0.000 0.772 254 E CB 1.770 31.300 29.700 -0.284 0.000 1.155 254 E HN 0.117 nan 8.360 nan 0.000 0.408 255 N N 2.579 121.428 118.700 0.249 0.000 2.500 255 N HA 0.283 5.026 4.740 0.006 0.000 0.291 255 N C -2.883 172.775 175.510 0.247 0.000 1.092 255 N CA -1.752 51.430 53.050 0.220 0.000 0.890 255 N CB 1.888 40.431 38.487 0.092 0.000 1.466 255 N HN 0.050 nan 8.380 nan 0.000 0.507 256 P HA 0.105 nan 4.420 nan 0.000 0.267 256 P C -0.369 176.894 177.300 -0.063 0.000 1.200 256 P CA -0.018 63.003 63.100 -0.131 0.000 0.772 256 P CB 1.299 32.880 31.700 -0.198 0.000 0.855 257 A N 3.778 126.541 122.820 -0.094 0.000 1.993 257 A HA 0.168 4.491 4.320 0.006 0.000 0.207 257 A C 0.694 178.246 177.584 -0.053 0.000 1.224 257 A CA 0.996 53.007 52.037 -0.043 0.000 0.749 257 A CB -0.057 18.931 19.000 -0.020 0.000 0.884 257 A HN 0.678 nan 8.150 nan 0.000 0.467 258 K N -1.910 118.440 120.400 -0.083 0.000 2.625 258 K HA 0.603 4.926 4.320 0.006 0.000 0.284 258 K C -1.889 174.671 176.600 -0.066 0.000 0.984 258 K CA -0.784 55.470 56.287 -0.056 0.000 0.865 258 K CB 1.550 34.033 32.500 -0.028 0.000 1.468 258 K HN -0.091 nan 8.250 nan 0.000 0.407 259 V N 1.525 121.432 119.914 -0.011 0.000 2.444 259 V HA 0.362 4.485 4.120 0.006 0.000 0.294 259 V C -0.869 175.291 176.094 0.109 0.000 1.022 259 V CA -0.608 61.711 62.300 0.031 0.000 0.850 259 V CB 1.366 33.229 31.823 0.066 0.000 0.992 259 V HN 0.770 nan 8.190 nan 0.000 0.426 260 E N 3.552 123.765 120.200 0.021 0.000 2.212 260 E HA 0.552 4.905 4.350 0.006 0.000 0.268 260 E C -1.232 175.263 176.600 -0.175 0.000 0.902 260 E CA -1.051 55.334 56.400 -0.025 0.000 0.779 260 E CB 2.887 32.570 29.700 -0.028 0.000 1.172 260 E HN 0.438 nan 8.360 nan 0.000 0.409 261 L N 3.103 124.125 121.223 -0.335 0.000 2.255 261 L HA 0.281 4.624 4.340 0.006 0.000 0.289 261 L C -0.765 175.991 176.870 -0.190 0.000 1.046 261 L CA -0.064 54.538 54.840 -0.397 0.000 0.816 261 L CB 0.165 41.824 42.059 -0.666 0.000 1.197 261 L HN 0.424 nan 8.230 nan 0.000 0.427 262 N N 3.396 122.014 118.700 -0.137 0.000 2.508 262 N HA 0.259 5.002 4.740 0.006 0.000 0.264 262 N C 1.268 176.731 175.510 -0.077 0.000 1.216 262 N CA 0.312 53.309 53.050 -0.089 0.000 0.943 262 N CB 1.030 39.472 38.487 -0.075 0.000 1.113 262 N HN 0.814 nan 8.380 nan 0.000 0.447 263 A N 1.558 124.345 122.820 -0.056 0.000 1.997 263 A HA -0.231 4.092 4.320 0.006 0.000 0.221 263 A C 1.341 178.901 177.584 -0.040 0.000 1.172 263 A CA 1.862 53.873 52.037 -0.043 0.000 0.645 263 A CB -0.477 18.503 19.000 -0.032 0.000 0.813 263 A HN 0.893 nan 8.150 nan 0.000 0.454 264 D N -1.734 118.640 120.400 -0.043 0.000 2.352 264 D HA 0.265 4.908 4.640 0.006 0.000 0.236 264 D C 1.079 177.354 176.300 -0.043 0.000 1.148 264 D CA 0.730 54.707 54.000 -0.038 0.000 0.844 264 D CB -0.789 39.989 40.800 -0.037 0.000 0.933 264 D HN 0.773 nan 8.370 nan 0.000 0.507 265 G N -0.029 108.740 108.800 -0.052 0.000 2.189 265 G HA2 -0.298 3.665 3.960 0.006 0.000 0.267 265 G HA3 -0.298 3.665 3.960 0.006 0.000 0.267 265 G C 0.377 175.238 174.900 -0.064 0.000 0.975 265 G CA 0.461 45.528 45.100 -0.056 0.000 0.644 265 G HN 0.472 nan 8.290 nan 0.000 0.537 266 S N -0.337 115.322 115.700 -0.067 0.000 2.652 266 S HA 0.676 5.149 4.470 0.006 0.000 0.270 266 S C 0.179 174.732 174.600 -0.079 0.000 1.243 266 S CA -0.241 57.922 58.200 -0.062 0.000 0.999 266 S CB 1.436 64.599 63.200 -0.062 0.000 0.973 266 S HN 0.386 nan 8.310 nan 0.000 0.544 267 K N 1.021 121.393 120.400 -0.047 0.000 2.221 267 K HA 0.537 4.861 4.320 0.006 0.000 0.258 267 K C -0.633 175.959 176.600 -0.014 0.000 0.944 267 K CA -0.261 55.998 56.287 -0.045 0.000 0.823 267 K CB 1.845 34.345 32.500 0.001 0.000 1.113 267 K HN 0.417 nan 8.250 nan 0.000 0.431 268 S N 1.805 117.482 115.700 -0.038 0.000 2.449 268 S HA 0.551 5.025 4.470 0.006 0.000 0.310 268 S C -0.977 173.606 174.600 -0.027 0.000 1.096 268 S CA -0.687 57.489 58.200 -0.041 0.000 1.095 268 S CB 0.554 63.720 63.200 -0.056 0.000 1.007 268 S HN 0.282 nan 8.310 nan 0.000 0.474 269 V N 5.004 124.904 119.914 -0.023 0.000 2.448 269 V HA 0.491 4.614 4.120 0.006 0.000 0.295 269 V C -0.067 175.875 176.094 -0.253 0.000 1.025 269 V CA -0.644 61.566 62.300 -0.149 0.000 0.859 269 V CB 1.856 33.568 31.823 -0.185 0.000 0.988 269 V HN 0.915 nan 8.190 nan 0.000 0.431 270 T N 5.570 119.965 114.554 -0.264 0.000 2.779 270 T HA 0.643 4.996 4.350 0.006 0.000 0.280 270 T C -0.471 174.077 174.700 -0.252 0.000 0.987 270 T CA -0.115 61.894 62.100 -0.153 0.000 0.966 270 T CB 0.570 69.405 68.868 -0.054 0.000 0.933 270 T HN 0.264 nan 8.240 nan 0.000 0.442 271 F N 1.239 121.212 119.950 0.038 0.000 2.378 271 F HA 0.321 4.851 4.527 0.006 0.000 0.325 271 F C 1.889 177.700 175.800 0.017 0.000 1.097 271 F CA -0.907 57.111 58.000 0.030 0.000 1.079 271 F CB 0.736 39.756 39.000 0.034 0.000 1.240 271 F HN 0.486 nan 8.300 nan 0.000 0.519 272 E N 0.177 120.494 120.200 0.194 0.000 2.331 272 E HA -0.147 4.206 4.350 0.006 0.000 0.199 272 E C 2.049 178.708 176.600 0.097 0.000 1.008 272 E CA 1.383 57.846 56.400 0.106 0.000 0.843 272 E CB -0.356 29.389 29.700 0.076 0.000 0.761 272 E HN 0.627 nan 8.360 nan 0.000 0.507 273 S N -1.097 114.679 115.700 0.128 0.000 2.515 273 S HA 0.082 4.556 4.470 0.006 0.000 0.231 273 S C 1.680 176.325 174.600 0.075 0.000 0.987 273 S CA 0.872 59.117 58.200 0.075 0.000 0.936 273 S CB 0.257 63.483 63.200 0.043 0.000 0.766 273 S HN 0.317 nan 8.310 nan 0.000 0.528 274 G N 1.161 110.027 108.800 0.110 0.000 2.232 274 G HA2 -0.268 3.696 3.960 0.006 0.000 0.226 274 G HA3 -0.268 3.696 3.960 0.006 0.000 0.226 274 G C 0.021 174.989 174.900 0.113 0.000 0.996 274 G CA 0.069 45.220 45.100 0.086 0.000 0.626 274 G HN 0.718 nan 8.290 nan 0.000 0.509 275 K N 1.186 121.682 120.400 0.160 0.000 2.448 275 K HA 0.379 4.703 4.320 0.006 0.000 0.278 275 K C -0.149 176.647 176.600 0.327 0.000 1.009 275 K CA 0.216 56.615 56.287 0.186 0.000 0.995 275 K CB 0.334 32.895 32.500 0.100 0.000 0.917 275 K HN 0.284 nan 8.250 nan 0.000 0.481 276 K N 5.256 125.779 120.400 0.206 0.000 2.426 276 K HA 0.323 4.647 4.320 0.006 0.000 0.254 276 K C -1.137 175.534 176.600 0.118 0.000 0.936 276 K CA -0.572 55.808 56.287 0.155 0.000 0.801 276 K CB 1.134 33.666 32.500 0.052 0.000 1.139 276 K HN 0.598 nan 8.250 nan 0.000 0.424 277 M N 1.996 121.665 119.600 0.114 0.000 2.658 277 M HA 0.327 4.811 4.480 0.006 0.000 0.295 277 M C -1.430 174.661 176.300 -0.349 0.000 1.248 277 M CA -0.904 54.330 55.300 -0.111 0.000 0.843 277 M CB 2.330 34.890 32.600 -0.065 0.000 1.749 277 M HN 0.522 nan 8.290 nan 0.000 0.464 278 D N 0.595 120.644 120.400 -0.586 0.000 2.362 278 D HA 0.703 5.346 4.640 0.006 0.000 0.247 278 D C -1.588 174.240 176.300 -0.786 0.000 1.050 278 D CA 0.232 53.939 54.000 -0.488 0.000 0.839 278 D CB 1.378 42.024 40.800 -0.257 0.000 1.283 278 D HN 0.185 nan 8.370 nan 0.000 0.477 279 F N 0.130 120.055 119.950 -0.042 0.000 2.613 279 F HA 0.327 4.857 4.527 0.006 0.000 0.314 279 F C 1.150 176.901 175.800 -0.081 0.000 1.075 279 F CA -0.812 57.152 58.000 -0.059 0.000 0.945 279 F CB 1.636 40.601 39.000 -0.058 0.000 1.310 279 F HN 0.187 nan 8.300 nan 0.000 0.467 280 D N 0.331 120.788 120.400 0.095 0.000 2.240 280 D HA 0.052 4.695 4.640 0.006 0.000 0.206 280 D C -0.110 176.174 176.300 -0.027 0.000 0.963 280 D CA 1.159 55.158 54.000 -0.002 0.000 0.863 280 D CB 0.996 41.769 40.800 -0.046 0.000 0.973 280 D HN 0.029 nan 8.370 nan 0.000 0.501 281 L N 1.460 122.654 121.223 -0.049 0.000 2.431 281 L HA 0.373 4.716 4.340 0.006 0.000 0.266 281 L C -1.553 175.226 176.870 -0.152 0.000 0.978 281 L CA -0.571 54.195 54.840 -0.123 0.000 0.822 281 L CB 2.401 44.316 42.059 -0.240 0.000 1.310 281 L HN -0.346 nan 8.230 nan 0.000 0.409 282 V N 5.921 125.754 119.914 -0.134 0.000 2.444 282 V HA 0.488 4.611 4.120 0.006 0.000 0.294 282 V C -0.007 175.991 176.094 -0.159 0.000 1.022 282 V CA -0.412 61.784 62.300 -0.173 0.000 0.850 282 V CB 1.805 33.562 31.823 -0.111 0.000 0.992 282 V HN 0.829 nan 8.190 nan 0.000 0.426 283 M N 6.087 125.578 119.600 -0.181 0.000 2.243 283 M HA 0.582 5.066 4.480 0.006 0.000 0.324 283 M C -1.183 175.030 176.300 -0.146 0.000 1.031 283 M CA -0.542 54.659 55.300 -0.165 0.000 0.949 283 M CB 1.585 34.086 32.600 -0.165 0.000 1.615 283 M HN 0.471 nan 8.290 nan 0.000 0.430 284 M N 4.178 123.691 119.600 -0.144 0.000 2.108 284 M HA 0.392 4.876 4.480 0.006 0.000 0.354 284 M C -0.230 175.991 176.300 -0.131 0.000 1.229 284 M CA -0.033 55.196 55.300 -0.118 0.000 1.081 284 M CB 0.837 33.369 32.600 -0.114 0.000 1.606 284 M HN 0.823 nan 8.290 nan 0.000 0.467 285 A N 4.426 127.186 122.820 -0.099 0.000 3.176 285 A HA 0.384 4.707 4.320 0.006 0.000 0.265 285 A C 0.789 178.337 177.584 -0.061 0.000 0.936 285 A CA -0.427 51.543 52.037 -0.111 0.000 1.033 285 A CB -0.421 18.497 19.000 -0.137 0.000 1.158 285 A HN 0.945 nan 8.150 nan 0.000 0.485 286 I N -3.626 116.938 120.570 -0.010 0.000 3.578 286 I HA 0.556 4.730 4.170 0.006 0.000 0.295 286 I C 0.716 176.887 176.117 0.090 0.000 1.280 286 I CA 0.495 61.829 61.300 0.057 0.000 1.347 286 I CB 0.328 38.386 38.000 0.096 0.000 1.051 286 I HN 0.405 nan 8.210 nan 0.000 0.460 287 G N 0.996 109.837 108.800 0.069 0.000 2.350 287 G HA2 0.326 4.290 3.960 0.006 0.000 0.304 287 G HA3 0.326 4.290 3.960 0.006 0.000 0.304 287 G C -1.547 173.414 174.900 0.102 0.000 1.421 287 G CA -1.135 44.017 45.100 0.087 0.000 0.934 287 G HN 0.183 nan 8.290 nan 0.000 0.632 288 R N -0.177 120.381 120.500 0.097 0.000 2.621 288 R HA 0.730 5.073 4.340 0.006 0.000 0.292 288 R C -0.746 175.627 176.300 0.122 0.000 0.969 288 R CA -0.753 55.418 56.100 0.118 0.000 0.887 288 R CB 2.274 32.641 30.300 0.111 0.000 1.180 288 R HN 0.513 nan 8.270 nan 0.000 0.450 289 S N 2.927 118.724 115.700 0.161 0.000 2.501 289 S HA 0.453 4.927 4.470 0.006 0.000 0.301 289 S C -2.528 172.170 174.600 0.163 0.000 1.096 289 S CA -1.563 56.717 58.200 0.133 0.000 1.063 289 S CB 2.030 65.314 63.200 0.139 0.000 1.042 289 S HN 0.335 nan 8.310 nan 0.000 0.494 290 P HA 0.151 nan 4.420 nan 0.000 0.266 290 P C -0.691 176.678 177.300 0.115 0.000 1.195 290 P CA -0.065 63.102 63.100 0.112 0.000 0.768 290 P CB 0.332 32.078 31.700 0.076 0.000 0.838 291 R N 1.857 122.425 120.500 0.113 0.000 2.408 291 R HA 0.168 4.511 4.340 0.006 0.000 0.308 291 R C 0.990 177.319 176.300 0.049 0.000 1.210 291 R CA 0.080 56.226 56.100 0.077 0.000 1.115 291 R CB -0.172 30.161 30.300 0.055 0.000 1.127 291 R HN 0.550 nan 8.270 nan 0.000 0.523 292 T N -2.067 112.512 114.554 0.042 0.000 3.000 292 T HA -0.009 4.344 4.350 0.006 0.000 0.248 292 T C 1.691 176.400 174.700 0.015 0.000 1.034 292 T CA -0.243 61.874 62.100 0.028 0.000 1.060 292 T CB 0.212 69.097 68.868 0.029 0.000 0.983 292 T HN 0.341 nan 8.240 nan 0.000 0.482 293 K N 1.661 122.067 120.400 0.011 0.000 2.015 293 K HA -0.255 4.068 4.320 0.006 0.000 0.220 293 K C 1.373 177.964 176.600 -0.016 0.000 1.055 293 K CA 2.438 58.722 56.287 -0.005 0.000 0.951 293 K CB -0.485 32.008 32.500 -0.011 0.000 0.725 293 K HN 0.273 nan 8.250 nan 0.000 0.449 294 D N 0.371 120.763 120.400 -0.014 0.000 2.371 294 D HA -0.088 4.556 4.640 0.006 0.000 0.221 294 D C 1.726 178.033 176.300 0.012 0.000 0.986 294 D CA 0.553 54.548 54.000 -0.009 0.000 0.899 294 D CB 0.082 40.906 40.800 0.040 0.000 0.902 294 D HN 0.195 nan 8.370 nan 0.000 0.530 295 L N 0.334 121.563 121.223 0.010 0.000 2.240 295 L HA -0.030 4.313 4.340 0.006 0.000 0.211 295 L C 0.696 177.562 176.870 -0.006 0.000 1.106 295 L CA 0.585 55.429 54.840 0.006 0.000 0.793 295 L CB -0.427 41.636 42.059 0.007 0.000 0.927 295 L HN -0.105 nan 8.230 nan 0.000 0.446 296 Q N -0.616 119.177 119.800 -0.011 0.000 2.470 296 Q HA -0.214 4.129 4.340 0.006 0.000 0.294 296 Q C 1.202 177.192 176.000 -0.016 0.000 1.356 296 Q CA 0.443 56.236 55.803 -0.017 0.000 0.805 296 Q CB -2.103 26.622 28.738 -0.021 0.000 1.157 296 Q HN 0.443 nan 8.270 nan 0.000 0.431 297 L N 0.013 121.228 121.223 -0.013 0.000 2.187 297 L HA -0.237 4.106 4.340 0.006 0.000 0.213 297 L C 2.627 179.487 176.870 -0.017 0.000 1.100 297 L CA 1.988 56.819 54.840 -0.014 0.000 0.765 297 L CB -0.488 41.566 42.059 -0.008 0.000 0.904 297 L HN 0.471 nan 8.230 nan 0.000 0.437 298 Q N -0.034 119.757 119.800 -0.015 0.000 2.226 298 Q HA -0.201 4.142 4.340 0.006 0.000 0.204 298 Q C 1.221 177.210 176.000 -0.019 0.000 0.975 298 Q CA 1.446 57.240 55.803 -0.016 0.000 0.866 298 Q CB -0.765 27.965 28.738 -0.014 0.000 0.915 298 Q HN 0.466 nan 8.270 nan 0.000 0.440 299 N N 1.099 119.786 118.700 -0.021 0.000 2.573 299 N HA 0.006 4.750 4.740 0.006 0.000 0.187 299 N C 0.944 176.439 175.510 -0.026 0.000 1.107 299 N CA 1.246 54.283 53.050 -0.023 0.000 0.918 299 N CB 0.195 38.668 38.487 -0.023 0.000 0.966 299 N HN 0.519 nan 8.380 nan 0.000 0.448 300 A N -1.392 121.411 122.820 -0.028 0.000 2.427 300 A HA 0.525 4.848 4.320 0.006 0.000 0.225 300 A C 1.266 178.831 177.584 -0.032 0.000 1.257 300 A CA 0.450 52.466 52.037 -0.034 0.000 0.985 300 A CB 0.152 19.127 19.000 -0.042 0.000 1.136 300 A HN 0.140 nan 8.150 nan 0.000 0.538 301 G N -0.178 108.607 108.800 -0.026 0.000 2.160 301 G HA2 -0.165 3.798 3.960 0.006 0.000 0.244 301 G HA3 -0.165 3.798 3.960 0.006 0.000 0.244 301 G C 0.134 175.021 174.900 -0.022 0.000 1.022 301 G CA 0.157 45.244 45.100 -0.022 0.000 0.741 301 G HN 0.908 nan 8.290 nan 0.000 0.508 302 V N 1.301 121.200 119.914 -0.024 0.000 2.572 302 V HA 0.347 4.471 4.120 0.006 0.000 0.291 302 V C 1.199 177.286 176.094 -0.011 0.000 1.039 302 V CA 0.241 62.528 62.300 -0.022 0.000 1.055 302 V CB 1.472 33.281 31.823 -0.024 0.000 0.969 302 V HN 0.473 nan 8.190 nan 0.000 0.482 303 M N 6.108 125.704 119.600 -0.008 0.000 2.185 303 M HA 0.479 4.962 4.480 0.006 0.000 0.357 303 M C -0.360 175.942 176.300 0.003 0.000 1.260 303 M CA -0.243 55.056 55.300 -0.002 0.000 1.124 303 M CB 0.834 33.434 32.600 -0.001 0.000 1.600 303 M HN 0.642 nan 8.290 nan 0.000 0.467 304 I N 1.267 121.840 120.570 0.004 0.000 2.377 304 I HA 0.523 4.697 4.170 0.006 0.000 0.293 304 I C -0.353 175.768 176.117 0.007 0.000 0.987 304 I CA -0.885 60.419 61.300 0.008 0.000 1.185 304 I CB 1.495 39.501 38.000 0.010 0.000 1.341 304 I HN 0.545 nan 8.210 nan 0.000 0.455 305 K N 4.833 125.238 120.400 0.008 0.000 4.085 305 K HA 0.313 4.636 4.320 0.006 0.000 0.195 305 K C -0.081 176.523 176.600 0.005 0.000 1.134 305 K CA 0.056 56.346 56.287 0.005 0.000 1.809 305 K CB 0.025 32.528 32.500 0.004 0.000 2.561 305 K HN 0.726 nan 8.250 nan 0.000 0.604 306 N N 0.278 118.980 118.700 0.003 0.000 2.605 306 N HA 0.222 4.966 4.740 0.006 0.000 0.258 306 N C -0.037 175.476 175.510 0.004 0.000 1.156 306 N CA 0.348 53.400 53.050 0.002 0.000 1.008 306 N CB 0.450 38.936 38.487 -0.001 0.000 1.354 306 N HN 0.702 nan 8.380 nan 0.000 0.509 307 G N 1.290 110.094 108.800 0.007 0.000 3.329 307 G HA2 -0.287 3.676 3.960 0.006 0.000 0.220 307 G HA3 -0.287 3.676 3.960 0.006 0.000 0.220 307 G C 0.550 175.463 174.900 0.022 0.000 1.358 307 G CA -0.107 45.001 45.100 0.013 0.000 0.856 307 G HN 0.707 nan 8.290 nan 0.000 0.551 308 G N -0.377 108.436 108.800 0.022 0.000 2.522 308 G HA2 0.617 4.581 3.960 0.006 0.000 0.304 308 G HA3 0.617 4.581 3.960 0.006 0.000 0.304 308 G C 0.067 174.981 174.900 0.022 0.000 1.210 308 G CA 0.238 45.354 45.100 0.028 0.000 0.960 308 G HN 1.061 nan 8.290 nan 0.000 0.497 309 V N 0.967 120.897 119.914 0.027 0.000 2.572 309 V HA 0.136 4.259 4.120 0.006 0.000 0.291 309 V C 0.680 176.788 176.094 0.022 0.000 1.039 309 V CA -0.158 62.157 62.300 0.024 0.000 1.055 309 V CB 0.684 32.526 31.823 0.031 0.000 0.969 309 V HN 0.866 nan 8.190 nan 0.000 0.482 310 Q N 4.892 124.703 119.800 0.018 0.000 2.293 310 Q HA 0.647 4.991 4.340 0.006 0.000 0.251 310 Q C -0.687 175.330 176.000 0.029 0.000 0.930 310 Q CA -0.587 55.227 55.803 0.018 0.000 0.893 310 Q CB 1.678 30.424 28.738 0.013 0.000 1.215 310 Q HN 0.627 nan 8.270 nan 0.000 0.425 311 V N -1.031 118.903 119.914 0.033 0.000 3.114 311 V HA 0.538 4.661 4.120 0.006 0.000 0.308 311 V C -1.023 175.105 176.094 0.058 0.000 1.168 311 V CA -1.111 61.224 62.300 0.057 0.000 1.015 311 V CB 1.847 33.714 31.823 0.072 0.000 1.050 311 V HN 1.014 nan 8.190 nan 0.000 0.433 312 D N 0.266 120.721 120.400 0.091 0.000 2.511 312 D HA 0.298 4.941 4.640 0.006 0.000 0.276 312 D C 0.820 177.180 176.300 0.101 0.000 1.220 312 D CA -0.207 53.855 54.000 0.103 0.000 1.077 312 D CB 0.504 41.391 40.800 0.146 0.000 1.126 312 D HN 0.681 nan 8.370 nan 0.000 0.583 313 E N -1.387 118.866 120.200 0.088 0.000 2.219 313 E HA -0.220 4.134 4.350 0.006 0.000 0.198 313 E C 0.619 177.108 176.600 -0.185 0.000 0.998 313 E CA 1.167 57.532 56.400 -0.058 0.000 0.818 313 E CB -0.380 29.225 29.700 -0.157 0.000 0.741 313 E HN 0.457 nan 8.360 nan 0.000 0.477 314 Y N -0.126 120.205 120.300 0.052 0.000 2.532 314 Y HA 0.185 4.739 4.550 0.005 0.000 0.283 314 Y C 0.566 176.493 175.900 0.045 0.000 1.181 314 Y CA -0.166 57.956 58.100 0.036 0.000 1.256 314 Y CB 0.262 38.730 38.460 0.012 0.000 1.112 314 Y HN -0.175 nan 8.280 nan 0.000 0.521 315 S N 0.032 115.828 115.700 0.159 0.000 3.561 315 S HA -0.230 4.243 4.470 0.006 0.000 0.318 315 S C 0.216 174.950 174.600 0.224 0.000 1.181 315 S CA 0.483 58.775 58.200 0.153 0.000 0.916 315 S CB -1.281 61.993 63.200 0.124 0.000 0.966 315 S HN 0.520 nan 8.310 nan 0.000 0.550 316 R N 1.612 122.254 120.500 0.237 0.000 2.368 316 R HA 0.496 4.839 4.340 0.006 0.000 0.302 316 R C 1.067 177.451 176.300 0.139 0.000 1.002 316 R CA -0.014 56.251 56.100 0.274 0.000 0.929 316 R CB 0.831 31.281 30.300 0.250 0.000 1.073 316 R HN 0.459 nan 8.270 nan 0.000 0.464 317 T N -1.409 113.187 114.554 0.070 0.000 2.793 317 T HA 0.001 4.355 4.350 0.006 0.000 0.299 317 T C 1.255 175.960 174.700 0.008 0.000 1.038 317 T CA -0.624 61.489 62.100 0.022 0.000 0.948 317 T CB 0.432 69.287 68.868 -0.021 0.000 1.231 317 T HN 0.713 nan 8.240 nan 0.000 0.538 318 N N -0.522 118.175 118.700 -0.004 0.000 2.461 318 N HA 0.001 4.744 4.740 0.006 0.000 0.188 318 N C -0.185 175.311 175.510 -0.024 0.000 1.134 318 N CA -0.032 53.014 53.050 -0.006 0.000 0.878 318 N CB -0.118 38.366 38.487 -0.004 0.000 0.972 318 N HN 0.352 nan 8.380 nan 0.000 0.456 319 V N 2.010 121.896 119.914 -0.048 0.000 2.417 319 V HA 0.194 4.317 4.120 0.006 0.000 0.291 319 V C 0.335 176.365 176.094 -0.106 0.000 1.024 319 V CA -1.048 61.210 62.300 -0.069 0.000 0.861 319 V CB 1.472 33.250 31.823 -0.075 0.000 0.985 319 V HN 0.359 nan 8.190 nan 0.000 0.436 320 S N 4.690 120.339 115.700 -0.085 0.000 2.560 320 S HA 0.128 4.601 4.470 0.006 0.000 0.284 320 S C 0.756 175.257 174.600 -0.165 0.000 1.327 320 S CA 0.032 58.177 58.200 -0.091 0.000 1.055 320 S CB 0.113 63.283 63.200 -0.049 0.000 0.868 320 S HN 0.897 nan 8.310 nan 0.000 0.506 321 N N -0.267 118.306 118.700 -0.212 0.000 2.878 321 N HA -0.145 4.599 4.740 0.006 0.000 0.247 321 N C -0.885 174.227 175.510 -0.663 0.000 1.021 321 N CA 1.397 54.274 53.050 -0.288 0.000 0.873 321 N CB -1.700 36.669 38.487 -0.198 0.000 1.128 321 N HN 0.807 nan 8.380 nan 0.000 0.571 322 I N 0.774 120.859 120.570 -0.808 0.000 2.436 322 I HA 0.373 4.546 4.170 0.006 0.000 0.289 322 I C -0.545 175.106 176.117 -0.777 0.000 1.010 322 I CA -0.784 60.128 61.300 -0.646 0.000 1.098 322 I CB 1.118 38.958 38.000 -0.266 0.000 1.266 322 I HN -0.129 nan 8.210 nan 0.000 0.434 323 Y N 4.063 124.391 120.300 0.047 0.000 2.602 323 Y HA 0.863 5.416 4.550 0.005 0.000 0.342 323 Y C 0.004 175.932 175.900 0.047 0.000 1.029 323 Y CA -1.224 56.903 58.100 0.044 0.000 1.080 323 Y CB 1.832 40.316 38.460 0.041 0.000 1.284 323 Y HN 0.547 nan 8.280 nan 0.000 0.485 324 A N 1.490 124.437 122.820 0.211 0.000 2.520 324 A HA 0.875 5.198 4.320 0.006 0.000 0.298 324 A C -1.493 176.167 177.584 0.128 0.000 1.051 324 A CA -0.590 51.529 52.037 0.136 0.000 0.690 324 A CB 1.062 20.116 19.000 0.089 0.000 1.281 324 A HN 0.770 nan 8.150 nan 0.000 0.402 325 I N -1.298 119.339 120.570 0.113 0.000 3.279 325 I HA 0.993 5.166 4.170 0.006 0.000 0.315 325 I C 0.622 176.797 176.117 0.096 0.000 1.187 325 I CA -0.019 61.344 61.300 0.105 0.000 0.953 325 I CB 1.237 39.300 38.000 0.106 0.000 1.279 325 I HN 2.193 nan 8.210 nan 0.000 0.465 326 G N 1.470 110.330 108.800 0.100 0.000 2.598 326 G HA2 -0.235 3.728 3.960 0.006 0.000 0.244 326 G HA3 -0.235 3.728 3.960 0.006 0.000 0.244 326 G C 0.145 175.100 174.900 0.092 0.000 1.302 326 G CA 0.586 45.745 45.100 0.098 0.000 0.903 326 G HN 0.876 nan 8.290 nan 0.000 0.575 327 D N -0.632 119.827 120.400 0.099 0.000 2.265 327 D HA -0.034 4.609 4.640 0.006 0.000 0.208 327 D C 2.388 178.742 176.300 0.090 0.000 0.977 327 D CA 1.226 55.286 54.000 0.101 0.000 0.871 327 D CB -0.185 40.689 40.800 0.124 0.000 0.925 327 D HN 0.457 nan 8.370 nan 0.000 0.485 328 V N 0.961 120.925 119.914 0.085 0.000 2.970 328 V HA -0.146 3.978 4.120 0.006 0.000 0.260 328 V C 2.114 178.242 176.094 0.057 0.000 1.100 328 V CA 2.081 64.425 62.300 0.073 0.000 1.122 328 V CB -0.532 31.332 31.823 0.070 0.000 0.721 328 V HN 0.370 nan 8.190 nan 0.000 0.483 329 T N -3.136 111.449 114.554 0.052 0.000 3.067 329 T HA 0.001 4.354 4.350 0.006 0.000 0.257 329 T C 1.201 175.910 174.700 0.016 0.000 1.105 329 T CA 0.629 62.749 62.100 0.033 0.000 1.104 329 T CB -0.364 68.522 68.868 0.030 0.000 0.925 329 T HN 0.437 nan 8.240 nan 0.000 0.498 330 N N 1.026 119.742 118.700 0.027 0.000 2.754 330 N HA -0.163 4.580 4.740 0.006 0.000 0.248 330 N C 0.406 175.912 175.510 -0.005 0.000 1.093 330 N CA 0.595 53.659 53.050 0.023 0.000 0.699 330 N CB -1.017 37.482 38.487 0.021 0.000 1.016 330 N HN 0.659 nan 8.380 nan 0.000 0.552 331 R N -1.094 119.390 120.500 -0.027 0.000 1.852 331 R HA 0.398 4.742 4.340 0.006 0.000 0.161 331 R C 0.245 176.526 176.300 -0.032 0.000 1.756 331 R CA 0.774 56.819 56.100 -0.092 0.000 1.480 331 R CB 0.096 30.250 30.300 -0.243 0.000 0.995 331 R HN 0.012 nan 8.270 nan 0.000 0.490 332 V N 2.611 122.530 119.914 0.010 0.000 2.313 332 V HA 0.254 4.377 4.120 0.006 0.000 0.278 332 V C -0.232 175.914 176.094 0.086 0.000 1.017 332 V CA -0.230 62.108 62.300 0.064 0.000 0.823 332 V CB 1.380 33.273 31.823 0.116 0.000 1.010 332 V HN 0.393 nan 8.190 nan 0.000 0.443 333 M N 6.989 126.643 119.600 0.090 0.000 3.254 333 M HA 0.379 4.863 4.480 0.006 0.000 0.257 333 M C -0.929 175.441 176.300 0.117 0.000 1.490 333 M CA 0.715 56.084 55.300 0.115 0.000 1.620 333 M CB -0.579 32.107 32.600 0.142 0.000 1.157 333 M HN 0.446 nan 8.290 nan 0.000 0.541 334 L N -0.170 121.112 121.223 0.099 0.000 2.466 334 L HA 0.367 4.711 4.340 0.006 0.000 0.258 334 L C 1.037 177.956 176.870 0.082 0.000 0.973 334 L CA -0.600 54.289 54.840 0.081 0.000 0.826 334 L CB 2.333 44.420 42.059 0.047 0.000 1.372 334 L HN 0.279 nan 8.230 nan 0.000 0.409 335 T N 0.802 115.403 114.554 0.078 0.000 2.652 335 T HA -0.080 4.273 4.350 0.006 0.000 0.267 335 T C -1.139 173.596 174.700 0.058 0.000 1.039 335 T CA 1.823 63.965 62.100 0.071 0.000 1.153 335 T CB -0.575 68.334 68.868 0.068 0.000 0.863 335 T HN 0.475 nan 8.240 nan 0.000 0.428 336 P HA -0.018 nan 4.420 nan 0.000 0.218 336 P C 1.507 178.825 177.300 0.030 0.000 1.148 336 P CA 0.571 63.691 63.100 0.034 0.000 0.822 336 P CB -0.144 31.572 31.700 0.025 0.000 0.784 337 V N 0.006 119.945 119.914 0.041 0.000 2.379 337 V HA -0.198 3.925 4.120 0.006 0.000 0.245 337 V C 2.447 178.580 176.094 0.065 0.000 1.044 337 V CA 2.092 64.419 62.300 0.044 0.000 1.036 337 V CB -1.657 30.219 31.823 0.088 0.000 0.664 337 V HN 0.093 nan 8.190 nan 0.000 0.453 338 A N -0.071 122.796 122.820 0.079 0.000 1.940 338 A HA -0.191 4.132 4.320 0.006 0.000 0.219 338 A C 2.178 179.805 177.584 0.073 0.000 1.176 338 A CA 1.936 54.024 52.037 0.085 0.000 0.631 338 A CB -0.547 18.504 19.000 0.086 0.000 0.814 338 A HN 0.516 nan 8.150 nan 0.000 0.446 339 I N -0.334 120.273 120.570 0.061 0.000 2.252 339 I HA -0.236 3.938 4.170 0.006 0.000 0.245 339 I C 2.518 178.665 176.117 0.049 0.000 1.102 339 I CA 1.363 62.698 61.300 0.057 0.000 1.385 339 I CB -0.396 37.633 38.000 0.049 0.000 1.064 339 I HN 0.499 nan 8.210 nan 0.000 0.414 340 N N 0.945 119.663 118.700 0.029 0.000 2.120 340 N HA -0.208 4.536 4.740 0.006 0.000 0.188 340 N C 1.721 177.236 175.510 0.008 0.000 1.024 340 N CA 1.385 54.438 53.050 0.005 0.000 0.852 340 N CB 0.115 38.581 38.487 -0.035 0.000 1.003 340 N HN 0.424 nan 8.380 nan 0.000 0.424 341 E N 0.441 120.657 120.200 0.026 0.000 2.072 341 E HA -0.118 4.236 4.350 0.006 0.000 0.191 341 E C 2.069 178.701 176.600 0.053 0.000 0.985 341 E CA 1.031 57.458 56.400 0.045 0.000 0.801 341 E CB -0.122 29.635 29.700 0.094 0.000 0.750 341 E HN 0.412 nan 8.360 nan 0.000 0.452 342 A N 1.579 124.440 122.820 0.067 0.000 1.883 342 A HA -0.163 4.160 4.320 0.006 0.000 0.217 342 A C 2.409 180.041 177.584 0.080 0.000 1.186 342 A CA 1.866 53.950 52.037 0.079 0.000 0.624 342 A CB -0.756 18.300 19.000 0.095 0.000 0.822 342 A HN 0.301 nan 8.150 nan 0.000 0.444 343 A N -0.357 122.511 122.820 0.081 0.000 1.930 343 A HA 0.193 4.517 4.320 0.006 0.000 0.217 343 A C 2.495 180.126 177.584 0.078 0.000 1.175 343 A CA 2.060 54.153 52.037 0.093 0.000 0.627 343 A CB -0.960 18.090 19.000 0.082 0.000 0.815 343 A HN 1.040 nan 8.150 nan 0.000 0.443 344 A N -0.263 122.585 122.820 0.047 0.000 1.873 344 A HA -0.024 4.299 4.320 0.006 0.000 0.215 344 A C 2.153 179.751 177.584 0.024 0.000 1.186 344 A CA 1.490 53.548 52.037 0.034 0.000 0.616 344 A CB -0.585 18.418 19.000 0.005 0.000 0.823 344 A HN 0.526 nan 8.150 nan 0.000 0.442 345 L N 0.324 121.548 121.223 0.002 0.000 2.012 345 L HA -0.120 4.223 4.340 0.006 0.000 0.210 345 L C 2.362 179.144 176.870 -0.147 0.000 1.073 345 L CA 2.147 56.940 54.840 -0.078 0.000 0.748 345 L CB -0.882 41.132 42.059 -0.076 0.000 0.891 345 L HN 0.247 nan 8.230 nan 0.000 0.431 346 V N 0.507 120.405 119.914 -0.027 0.000 2.490 346 V HA -0.261 3.863 4.120 0.006 0.000 0.250 346 V C 2.319 178.418 176.094 0.009 0.000 1.061 346 V CA 1.858 64.184 62.300 0.043 0.000 1.064 346 V CB -0.585 31.370 31.823 0.221 0.000 0.670 346 V HN 0.442 nan 8.190 nan 0.000 0.461 347 D N -0.246 120.194 120.400 0.067 0.000 2.117 347 D HA -0.114 4.529 4.640 0.006 0.000 0.198 347 D C 2.292 178.549 176.300 -0.072 0.000 0.982 347 D CA 1.744 55.788 54.000 0.074 0.000 0.828 347 D CB -0.381 40.495 40.800 0.126 0.000 0.967 347 D HN 0.371 nan 8.370 nan 0.000 0.464 348 T N 0.447 114.950 114.554 -0.085 0.000 2.833 348 T HA -0.068 4.286 4.350 0.006 0.000 0.269 348 T C 2.148 176.688 174.700 -0.267 0.000 1.054 348 T CA 0.637 62.667 62.100 -0.117 0.000 1.135 348 T CB -0.016 68.832 68.868 -0.035 0.000 0.869 348 T HN -0.020 nan 8.240 nan 0.000 0.466 349 V N -0.131 119.510 119.914 -0.455 0.000 2.374 349 V HA 0.107 4.231 4.120 0.006 0.000 0.241 349 V C 1.551 177.137 176.094 -0.847 0.000 1.034 349 V CA 1.214 63.057 62.300 -0.761 0.000 1.037 349 V CB -0.370 30.735 31.823 -1.197 0.000 0.682 349 V HN 0.382 nan 8.190 nan 0.000 0.463 350 F N 0.456 120.095 119.950 -0.518 0.000 2.695 350 F HA 0.531 5.062 4.527 0.007 0.000 0.303 350 F C 1.218 176.454 175.800 -0.939 0.000 1.091 350 F CA -0.028 57.552 58.000 -0.699 0.000 1.300 350 F CB -0.351 38.169 39.000 -0.799 0.000 1.071 350 F HN 0.157 nan 8.300 nan 0.000 0.578 351 G N -0.419 108.058 108.800 -0.538 0.000 2.887 351 G HA2 0.408 4.371 3.960 0.006 0.000 0.277 351 G HA3 0.408 4.371 3.960 0.006 0.000 0.277 351 G C 0.772 175.623 174.900 -0.083 0.000 1.346 351 G CA 0.188 45.144 45.100 -0.241 0.000 1.058 351 G HN 0.095 nan 8.290 nan 0.000 0.535 352 T N -2.355 112.207 114.554 0.014 0.000 2.939 352 T HA 0.100 4.454 4.350 0.006 0.000 0.254 352 T C 1.301 176.002 174.700 0.003 0.000 1.041 352 T CA 1.301 63.407 62.100 0.010 0.000 1.142 352 T CB -0.459 68.433 68.868 0.041 0.000 0.874 352 T HN 0.768 nan 8.240 nan 0.000 0.452 353 T N 1.273 115.842 114.554 0.024 0.000 2.795 353 T HA 0.628 4.981 4.350 0.006 0.000 0.282 353 T C -3.086 171.630 174.700 0.027 0.000 0.980 353 T CA -2.121 59.993 62.100 0.024 0.000 1.012 353 T CB 1.478 70.371 68.868 0.040 0.000 0.936 353 T HN -0.054 nan 8.240 nan 0.000 0.457 354 P HA 0.444 nan 4.420 nan 0.000 0.272 354 P C -0.442 176.954 177.300 0.160 0.000 1.230 354 P CA -0.647 62.492 63.100 0.065 0.000 0.788 354 P CB 0.521 32.217 31.700 -0.007 0.000 0.949 355 R N 1.023 121.659 120.500 0.227 0.000 2.629 355 R HA 0.468 4.811 4.340 0.006 0.000 0.266 355 R C -1.481 174.849 176.300 0.050 0.000 1.051 355 R CA -0.789 55.389 56.100 0.130 0.000 0.895 355 R CB 1.394 31.736 30.300 0.070 0.000 1.246 355 R HN 0.521 nan 8.270 nan 0.000 0.459 356 K N 0.962 121.304 120.400 -0.097 0.000 2.512 356 K HA 0.434 4.757 4.320 0.006 0.000 0.263 356 K C -1.324 175.179 176.600 -0.163 0.000 0.966 356 K CA -0.940 55.210 56.287 -0.229 0.000 0.851 356 K CB 2.175 34.327 32.500 -0.580 0.000 1.395 356 K HN 0.321 nan 8.250 nan 0.000 0.440 357 T N 1.644 116.092 114.554 -0.176 0.000 2.749 357 T HA 0.041 4.394 4.350 0.006 0.000 0.295 357 T C -0.805 173.674 174.700 -0.368 0.000 0.936 357 T CA -0.005 61.932 62.100 -0.271 0.000 1.060 357 T CB 0.603 69.270 68.868 -0.334 0.000 0.904 357 T HN 0.542 nan 8.240 nan 0.000 0.500 358 D N 1.529 121.769 120.400 -0.266 0.000 2.343 358 D HA 0.077 4.721 4.640 0.006 0.000 0.255 358 D C 0.493 176.636 176.300 -0.263 0.000 1.187 358 D CA -0.151 53.742 54.000 -0.177 0.000 0.875 358 D CB 0.613 41.358 40.800 -0.091 0.000 1.136 358 D HN 0.552 nan 8.370 nan 0.000 0.469 359 H N 1.059 120.114 119.070 -0.025 0.000 2.526 359 H HA 0.162 4.722 4.556 0.006 0.000 0.274 359 H C 0.500 175.821 175.328 -0.012 0.000 0.999 359 H CA 0.262 56.301 56.048 -0.016 0.000 1.157 359 H CB 0.269 30.022 29.762 -0.015 0.000 1.407 359 H HN 0.353 nan 8.280 nan 0.000 0.568 360 T N -1.913 112.673 114.554 0.054 0.000 2.927 360 T HA 0.341 4.694 4.350 0.006 0.000 0.281 360 T C 0.528 175.237 174.700 0.014 0.000 0.998 360 T CA -1.064 61.060 62.100 0.039 0.000 1.019 360 T CB 1.519 70.409 68.868 0.037 0.000 1.061 360 T HN 0.242 nan 8.240 nan 0.000 0.518 361 R N -0.778 119.730 120.500 0.014 0.000 3.416 361 R HA -0.092 4.252 4.340 0.006 0.000 0.263 361 R C -0.460 175.836 176.300 -0.006 0.000 1.053 361 R CA 0.471 56.572 56.100 0.002 0.000 0.705 361 R CB -2.589 27.712 30.300 0.002 0.000 1.124 361 R HN 0.548 nan 8.270 nan 0.000 0.444 362 V N 0.835 120.746 119.914 -0.004 0.000 2.408 362 V HA 0.504 4.627 4.120 0.006 0.000 0.267 362 V C 1.086 177.171 176.094 -0.014 0.000 1.047 362 V CA -0.058 62.237 62.300 -0.008 0.000 0.937 362 V CB 1.319 33.144 31.823 0.004 0.000 0.999 362 V HN 0.427 nan 8.190 nan 0.000 0.472 363 A N 5.138 127.949 122.820 -0.014 0.000 2.354 363 A HA 0.794 5.117 4.320 0.006 0.000 0.269 363 A C 0.417 177.991 177.584 -0.017 0.000 1.109 363 A CA 0.049 52.075 52.037 -0.017 0.000 0.800 363 A CB 0.586 19.577 19.000 -0.015 0.000 1.045 363 A HN 1.104 nan 8.150 nan 0.000 0.489 364 S N -0.015 115.671 115.700 -0.023 0.000 2.671 364 S HA 0.918 5.392 4.470 0.006 0.000 0.277 364 S C -0.523 174.041 174.600 -0.060 0.000 1.165 364 S CA -0.153 58.025 58.200 -0.037 0.000 0.822 364 S CB 1.449 64.620 63.200 -0.047 0.000 1.150 364 S HN 2.280 nan 8.310 nan 0.000 0.479 365 A N -0.034 122.704 122.820 -0.137 0.000 2.566 365 A HA 0.838 5.161 4.320 0.006 0.000 0.292 365 A C -1.581 175.786 177.584 -0.361 0.000 1.112 365 A CA -0.826 51.035 52.037 -0.292 0.000 0.707 365 A CB 1.576 20.248 19.000 -0.547 0.000 1.302 365 A HN 1.271 nan 8.150 nan 0.000 0.409 366 V N 0.919 120.579 119.914 -0.424 0.000 2.409 366 V HA 0.338 4.461 4.120 0.006 0.000 0.290 366 V C -1.120 174.758 176.094 -0.360 0.000 1.017 366 V CA -0.052 62.071 62.300 -0.295 0.000 0.841 366 V CB 0.878 32.523 31.823 -0.296 0.000 1.003 366 V HN 0.712 nan 8.190 nan 0.000 0.426 367 F N 3.363 123.300 119.950 -0.021 0.000 2.705 367 F HA 0.226 4.757 4.527 0.007 0.000 0.355 367 F C 1.477 177.244 175.800 -0.053 0.000 1.172 367 F CA -0.201 57.776 58.000 -0.038 0.000 1.332 367 F CB -0.154 38.825 39.000 -0.035 0.000 1.621 367 F HN 0.544 nan 8.300 nan 0.000 0.605 368 S N -0.105 115.599 115.700 0.006 0.000 2.686 368 S HA 0.680 5.153 4.470 0.006 0.000 0.270 368 S C -0.235 174.355 174.600 -0.017 0.000 1.194 368 S CA -0.770 57.420 58.200 -0.017 0.000 0.990 368 S CB 1.627 64.786 63.200 -0.068 0.000 1.029 368 S HN 0.246 nan 8.310 nan 0.000 0.560 369 I N 1.773 122.331 120.570 -0.021 0.000 2.437 369 I HA 0.351 4.524 4.170 0.006 0.000 0.279 369 I C -2.632 173.475 176.117 -0.017 0.000 1.028 369 I CA -2.120 59.168 61.300 -0.020 0.000 1.142 369 I CB 1.610 39.601 38.000 -0.015 0.000 1.266 369 I HN 0.416 nan 8.210 nan 0.000 0.461 370 P HA 0.286 nan 4.420 nan 0.000 0.274 370 P C -2.532 174.715 177.300 -0.088 0.000 1.246 370 P CA -1.237 61.828 63.100 -0.058 0.000 0.795 370 P CB 0.134 31.786 31.700 -0.079 0.000 1.006 371 P HA 0.345 nan 4.420 nan 0.000 0.281 371 P C -0.753 176.423 177.300 -0.207 0.000 1.264 371 P CA -0.106 62.898 63.100 -0.160 0.000 0.824 371 P CB 1.183 32.786 31.700 -0.161 0.000 1.092 372 I N -0.278 120.143 120.570 -0.248 0.000 2.646 372 I HA 0.589 4.763 4.170 0.006 0.000 0.299 372 I C 0.490 176.495 176.117 -0.186 0.000 1.036 372 I CA -0.706 60.471 61.300 -0.206 0.000 1.074 372 I CB 2.314 40.190 38.000 -0.207 0.000 1.258 372 I HN 0.409 nan 8.210 nan 0.000 0.430 373 G N 1.890 110.632 108.800 -0.096 0.000 2.617 373 G HA2 0.619 4.583 3.960 0.006 0.000 0.306 373 G HA3 0.619 4.583 3.960 0.006 0.000 0.306 373 G C -1.298 173.618 174.900 0.027 0.000 1.360 373 G CA -0.360 44.706 45.100 -0.058 0.000 0.983 373 G HN 0.487 nan 8.290 nan 0.000 0.496 374 T N -0.616 113.963 114.554 0.043 0.000 2.932 374 T HA 0.552 4.905 4.350 0.006 0.000 0.318 374 T C -1.554 173.138 174.700 -0.014 0.000 1.265 374 T CA -0.443 61.696 62.100 0.064 0.000 1.036 374 T CB 1.443 70.456 68.868 0.241 0.000 1.209 374 T HN 1.105 nan 8.240 nan 0.000 0.484 375 C N 3.307 122.545 119.300 -0.104 0.000 2.782 375 C HA 0.917 5.380 4.460 0.006 0.000 0.328 375 C C 0.668 175.590 174.990 -0.114 0.000 1.145 375 C CA 1.190 60.160 59.018 -0.081 0.000 1.358 375 C CB 0.202 27.906 27.740 -0.059 0.000 1.841 375 C HN 1.771 nan 8.230 nan 0.000 0.477 376 G N 4.124 112.905 108.800 -0.032 0.000 2.660 376 G HA2 -0.064 3.900 3.960 0.006 0.000 0.215 376 G HA3 -0.064 3.900 3.960 0.006 0.000 0.215 376 G C -1.006 173.950 174.900 0.093 0.000 1.345 376 G CA -0.306 44.796 45.100 0.004 0.000 0.877 376 G HN 1.099 nan 8.290 nan 0.000 0.549 377 L N 0.618 121.908 121.223 0.112 0.000 2.418 377 L HA 0.599 4.942 4.340 0.006 0.000 0.265 377 L C 1.311 178.307 176.870 0.210 0.000 1.143 377 L CA -0.729 54.190 54.840 0.131 0.000 0.809 377 L CB 0.919 43.044 42.059 0.111 0.000 1.124 377 L HN 0.705 nan 8.230 nan 0.000 0.456 378 I N -1.442 119.168 120.570 0.067 0.000 2.428 378 I HA 0.204 4.377 4.170 0.006 0.000 0.296 378 I C 1.266 177.387 176.117 0.007 0.000 0.985 378 I CA -0.658 60.609 61.300 -0.055 0.000 1.260 378 I CB 1.313 39.229 38.000 -0.139 0.000 1.389 378 I HN 0.814 nan 8.210 nan 0.000 0.484 379 E N 3.247 123.466 120.200 0.033 0.000 2.187 379 E HA -0.304 4.049 4.350 0.006 0.000 0.199 379 E C 1.114 177.610 176.600 -0.174 0.000 1.004 379 E CA 2.073 58.472 56.400 -0.001 0.000 0.813 379 E CB -0.334 29.459 29.700 0.156 0.000 0.736 379 E HN 0.851 nan 8.360 nan 0.000 0.468 380 E N 0.764 120.886 120.200 -0.130 0.000 2.110 380 E HA -0.134 4.219 4.350 0.006 0.000 0.193 380 E C 2.137 178.664 176.600 -0.120 0.000 0.988 380 E CA 1.484 57.783 56.400 -0.168 0.000 0.804 380 E CB -0.003 29.638 29.700 -0.098 0.000 0.745 380 E HN 0.185 nan 8.360 nan 0.000 0.458 381 V N 0.441 120.319 119.914 -0.059 0.000 2.446 381 V HA -0.074 4.049 4.120 0.006 0.000 0.244 381 V C 2.147 178.253 176.094 0.020 0.000 1.039 381 V CA 1.368 63.655 62.300 -0.021 0.000 1.045 381 V CB -0.595 31.228 31.823 0.000 0.000 0.681 381 V HN 0.329 nan 8.190 nan 0.000 0.459 382 A N 1.218 124.075 122.820 0.063 0.000 1.908 382 A HA -0.230 4.093 4.320 0.006 0.000 0.218 382 A C 2.508 180.213 177.584 0.201 0.000 1.181 382 A CA 2.399 54.560 52.037 0.207 0.000 0.627 382 A CB -0.851 18.238 19.000 0.149 0.000 0.818 382 A HN 0.682 nan 8.150 nan 0.000 0.445 383 S N -0.679 115.020 115.700 -0.002 0.000 2.442 383 S HA -0.096 4.378 4.470 0.006 0.000 0.236 383 S C 1.508 176.106 174.600 -0.002 0.000 1.007 383 S CA 1.306 59.482 58.200 -0.040 0.000 0.965 383 S CB -0.127 62.842 63.200 -0.385 0.000 0.773 383 S HN 0.451 nan 8.310 nan 0.000 0.504 384 K N 0.973 121.358 120.400 -0.025 0.000 2.379 384 K HA 0.257 4.580 4.320 0.006 0.000 0.194 384 K C 1.740 178.310 176.600 -0.050 0.000 1.031 384 K CA 0.261 56.530 56.287 -0.030 0.000 1.037 384 K CB -0.020 32.456 32.500 -0.041 0.000 0.824 384 K HN 0.485 nan 8.250 nan 0.000 0.516 385 R N -0.841 119.618 120.500 -0.069 0.000 2.279 385 R HA 0.157 4.500 4.340 0.006 0.000 0.195 385 R C -0.050 175.966 176.300 -0.474 0.000 0.905 385 R CA 0.228 56.164 56.100 -0.273 0.000 1.044 385 R CB 0.501 30.580 30.300 -0.368 0.000 1.056 385 R HN 0.022 nan 8.270 nan 0.000 0.535 386 Y N -0.064 120.250 120.300 0.025 0.000 2.446 386 Y HA 0.183 4.736 4.550 0.006 0.000 0.345 386 Y C 1.129 177.066 175.900 0.062 0.000 0.984 386 Y CA -0.960 57.167 58.100 0.046 0.000 1.058 386 Y CB 1.875 40.372 38.460 0.061 0.000 1.220 386 Y HN -0.164 nan 8.280 nan 0.000 0.455 387 E N 1.024 121.346 120.200 0.204 0.000 2.107 387 E HA 0.016 4.369 4.350 0.006 0.000 0.191 387 E C -0.675 176.041 176.600 0.193 0.000 0.982 387 E CA 0.853 57.347 56.400 0.156 0.000 0.809 387 E CB 0.385 30.153 29.700 0.114 0.000 0.756 387 E HN 0.370 nan 8.360 nan 0.000 0.459 388 V N 1.866 121.919 119.914 0.230 0.000 2.409 388 V HA 0.333 4.457 4.120 0.006 0.000 0.290 388 V C -0.601 175.656 176.094 0.271 0.000 1.017 388 V CA -0.801 61.648 62.300 0.249 0.000 0.841 388 V CB 1.610 33.582 31.823 0.248 0.000 1.003 388 V HN -0.072 nan 8.190 nan 0.000 0.426 389 V N 3.517 123.594 119.914 0.272 0.000 2.628 389 V HA 0.906 5.029 4.120 0.006 0.000 0.306 389 V C 0.252 176.439 176.094 0.154 0.000 1.045 389 V CA -0.426 62.002 62.300 0.215 0.000 0.905 389 V CB 2.119 34.085 31.823 0.238 0.000 0.997 389 V HN 0.988 nan 8.190 nan 0.000 0.436 390 A N 3.852 126.687 122.820 0.025 0.000 2.350 390 A HA 0.881 5.205 4.320 0.006 0.000 0.324 390 A C -1.094 176.323 177.584 -0.280 0.000 1.118 390 A CA -0.557 51.303 52.037 -0.295 0.000 0.783 390 A CB 1.776 20.576 19.000 -0.334 0.000 1.236 390 A HN 0.666 nan 8.150 nan 0.000 0.457 391 V N 2.899 122.444 119.914 -0.616 0.000 2.407 391 V HA 0.325 4.448 4.120 0.006 0.000 0.291 391 V C -1.427 174.320 176.094 -0.577 0.000 1.018 391 V CA -0.367 61.627 62.300 -0.509 0.000 0.842 391 V CB 0.704 32.012 31.823 -0.858 0.000 0.996 391 V HN 0.744 nan 8.190 nan 0.000 0.426 392 Y N 5.450 125.590 120.300 -0.267 0.000 2.326 392 Y HA 0.710 5.263 4.550 0.006 0.000 0.337 392 Y C -0.099 175.749 175.900 -0.086 0.000 1.023 392 Y CA -0.774 57.227 58.100 -0.165 0.000 1.143 392 Y CB 1.536 39.940 38.460 -0.092 0.000 1.183 392 Y HN 0.543 nan 8.280 nan 0.000 0.485 393 L N 2.236 123.501 121.223 0.071 0.000 2.388 393 L HA 0.816 5.159 4.340 0.006 0.000 0.264 393 L C -0.822 176.132 176.870 0.139 0.000 0.998 393 L CA -0.389 54.512 54.840 0.101 0.000 0.817 393 L CB 2.417 44.520 42.059 0.074 0.000 1.338 393 L HN 0.489 nan 8.230 nan 0.000 0.414 394 S N 1.895 117.707 115.700 0.188 0.000 2.614 394 S HA 0.833 5.306 4.470 0.006 0.000 0.275 394 S C -1.547 173.245 174.600 0.321 0.000 1.161 394 S CA -0.404 57.944 58.200 0.246 0.000 0.969 394 S CB 1.122 64.483 63.200 0.269 0.000 1.059 394 S HN 0.724 nan 8.310 nan 0.000 0.482 395 S N 3.925 119.807 115.700 0.303 0.000 2.532 395 S HA 0.901 5.375 4.470 0.006 0.000 0.299 395 S C -1.124 173.678 174.600 0.338 0.000 1.105 395 S CA -0.669 57.674 58.200 0.237 0.000 1.018 395 S CB 0.889 64.162 63.200 0.122 0.000 1.021 395 S HN 0.691 nan 8.310 nan 0.000 0.483 396 F N -1.354 118.683 119.950 0.146 0.000 2.741 396 F HA 0.718 5.249 4.527 0.006 0.000 0.313 396 F C -0.833 175.045 175.800 0.130 0.000 1.153 396 F CA -1.019 57.048 58.000 0.112 0.000 0.931 396 F CB 0.600 39.650 39.000 0.083 0.000 1.335 396 F HN 0.277 nan 8.300 nan 0.000 0.460 397 T N 2.443 117.126 114.554 0.216 0.000 2.744 397 T HA 0.488 4.841 4.350 0.006 0.000 0.291 397 T C -2.734 172.117 174.700 0.252 0.000 0.957 397 T CA -1.164 61.011 62.100 0.125 0.000 1.002 397 T CB 1.108 70.051 68.868 0.125 0.000 0.919 397 T HN 0.298 nan 8.240 nan 0.000 0.468 398 P HA 0.074 nan 4.420 nan 0.000 0.268 398 P C 1.025 178.435 177.300 0.183 0.000 1.205 398 P CA -0.536 62.713 63.100 0.249 0.000 0.771 398 P CB 0.499 32.324 31.700 0.209 0.000 0.858 399 L N 4.925 126.234 121.223 0.143 0.000 1.991 399 L HA -0.252 4.092 4.340 0.006 0.000 0.221 399 L C 2.034 178.953 176.870 0.081 0.000 1.079 399 L CA 2.265 57.161 54.840 0.093 0.000 0.778 399 L CB -1.357 40.734 42.059 0.053 0.000 0.893 399 L HN 0.496 nan 8.230 nan 0.000 0.437 400 M N -2.801 116.824 119.600 0.042 0.000 2.279 400 M HA -0.181 4.302 4.480 0.006 0.000 0.264 400 M C 1.702 178.022 176.300 0.034 0.000 1.062 400 M CA 1.838 57.185 55.300 0.080 0.000 1.099 400 M CB -0.975 31.591 32.600 -0.056 0.000 1.394 400 M HN 0.233 nan 8.290 nan 0.000 0.426 401 H N 1.121 120.260 119.070 0.116 0.000 2.547 401 H HA 0.163 4.722 4.556 0.006 0.000 0.266 401 H C 1.362 176.703 175.328 0.022 0.000 0.988 401 H CA 0.740 56.819 56.048 0.052 0.000 1.147 401 H CB -0.098 29.657 29.762 -0.011 0.000 1.365 401 H HN 0.594 nan 8.280 nan 0.000 0.589 402 K N 0.407 120.883 120.400 0.127 0.000 2.116 402 K HA -0.040 4.283 4.320 0.006 0.000 0.203 402 K C 1.912 178.524 176.600 0.020 0.000 1.052 402 K CA 1.277 57.607 56.287 0.072 0.000 0.952 402 K CB 0.400 32.938 32.500 0.063 0.000 0.729 402 K HN 0.142 nan 8.250 nan 0.000 0.446 403 V N -1.818 118.081 119.914 -0.024 0.000 3.660 403 V HA 0.059 4.182 4.120 0.006 0.000 0.276 403 V C 1.825 177.792 176.094 -0.211 0.000 1.317 403 V CA 0.764 62.969 62.300 -0.158 0.000 1.097 403 V CB 0.437 32.076 31.823 -0.306 0.000 0.863 403 V HN 0.194 nan 8.190 nan 0.000 0.438 404 S N 0.507 116.202 115.700 -0.009 0.000 2.489 404 S HA 0.346 4.820 4.470 0.006 0.000 0.228 404 S C 1.862 176.534 174.600 0.120 0.000 0.995 404 S CA 1.327 59.614 58.200 0.145 0.000 0.934 404 S CB 0.205 63.647 63.200 0.402 0.000 0.771 404 S HN 1.698 nan 8.310 nan 0.000 0.522 405 G N 0.382 109.226 108.800 0.075 0.000 2.259 405 G HA2 -0.213 3.751 3.960 0.006 0.000 0.217 405 G HA3 -0.213 3.751 3.960 0.006 0.000 0.217 405 G C 0.389 175.305 174.900 0.026 0.000 1.001 405 G CA 0.037 45.171 45.100 0.057 0.000 0.627 405 G HN 0.660 nan 8.290 nan 0.000 0.501 406 S N 2.348 118.027 115.700 -0.035 0.000 4.120 406 S HA 0.304 4.778 4.470 0.006 0.000 0.196 406 S C 1.666 175.998 174.600 -0.447 0.000 1.447 406 S CA -0.159 57.795 58.200 -0.410 0.000 0.939 406 S CB 0.710 63.544 63.200 -0.610 0.000 1.496 406 S HN 0.358 nan 8.310 nan 0.000 0.460 407 K N 1.238 121.542 120.400 -0.161 0.000 2.160 407 K HA -0.177 4.147 4.320 0.006 0.000 0.206 407 K C 1.557 178.120 176.600 -0.060 0.000 1.047 407 K CA 1.476 57.735 56.287 -0.047 0.000 0.930 407 K CB -0.526 32.004 32.500 0.050 0.000 0.720 407 K HN 0.845 nan 8.250 nan 0.000 0.450 408 Y N 0.472 120.748 120.300 -0.040 0.000 2.571 408 Y HA 0.087 4.641 4.550 0.006 0.000 0.294 408 Y C 0.383 176.227 175.900 -0.094 0.000 1.141 408 Y CA 0.056 58.123 58.100 -0.055 0.000 1.308 408 Y CB -0.586 37.844 38.460 -0.051 0.000 1.002 408 Y HN -0.212 nan 8.280 nan 0.000 0.551 409 K N 2.516 122.649 120.400 -0.446 0.000 2.121 409 K HA 0.124 4.447 4.320 0.006 0.000 0.235 409 K C -0.378 176.113 176.600 -0.181 0.000 1.200 409 K CA 0.053 56.116 56.287 -0.374 0.000 1.115 409 K CB -0.232 31.800 32.500 -0.780 0.000 1.474 409 K HN 0.177 nan 8.250 nan 0.000 0.295 410 T N 2.197 116.692 114.554 -0.099 0.000 2.851 410 T HA 0.107 4.460 4.350 0.006 0.000 0.298 410 T C -0.392 174.223 174.700 -0.141 0.000 0.977 410 T CA -0.216 61.829 62.100 -0.092 0.000 1.126 410 T CB 0.223 69.062 68.868 -0.048 0.000 0.916 410 T HN 0.206 nan 8.240 nan 0.000 0.529 411 F N 4.376 124.060 119.950 -0.443 0.000 2.410 411 F HA 0.533 5.064 4.527 0.006 0.000 0.349 411 F C -0.552 174.999 175.800 -0.414 0.000 1.117 411 F CA -0.914 56.786 58.000 -0.501 0.000 1.104 411 F CB 0.739 39.227 39.000 -0.854 0.000 1.122 411 F HN 0.233 nan 8.300 nan 0.000 0.483 412 V N 5.921 125.642 119.914 -0.323 0.000 2.417 412 V HA 0.772 4.896 4.120 0.006 0.000 0.291 412 V C -0.236 175.864 176.094 0.010 0.000 1.024 412 V CA -0.719 61.538 62.300 -0.071 0.000 0.861 412 V CB 1.072 32.834 31.823 -0.102 0.000 0.985 412 V HN 0.957 nan 8.190 nan 0.000 0.436 413 A N 4.841 127.811 122.820 0.250 0.000 2.355 413 A HA 0.893 5.216 4.320 0.006 0.000 0.317 413 A C -0.569 177.139 177.584 0.206 0.000 1.094 413 A CA -0.737 51.478 52.037 0.297 0.000 0.764 413 A CB 1.423 20.695 19.000 0.453 0.000 1.230 413 A HN 0.767 nan 8.150 nan 0.000 0.448 414 K N 2.516 123.023 120.400 0.178 0.000 2.553 414 K HA 0.649 4.972 4.320 0.006 0.000 0.250 414 K C -1.847 174.839 176.600 0.143 0.000 0.953 414 K CA -0.342 56.044 56.287 0.166 0.000 0.800 414 K CB 1.338 33.943 32.500 0.175 0.000 1.243 414 K HN 0.691 nan 8.250 nan 0.000 0.435 415 I N 5.879 126.512 120.570 0.105 0.000 2.465 415 I HA 0.417 4.591 4.170 0.006 0.000 0.291 415 I C -0.404 175.751 176.117 0.064 0.000 1.014 415 I CA -1.277 60.019 61.300 -0.007 0.000 1.093 415 I CB 1.604 39.481 38.000 -0.204 0.000 1.267 415 I HN 0.561 nan 8.210 nan 0.000 0.431 416 I N 3.671 124.257 120.570 0.027 0.000 2.474 416 I HA 0.819 4.993 4.170 0.006 0.000 0.294 416 I C -0.107 175.998 176.117 -0.019 0.000 1.005 416 I CA 0.128 61.465 61.300 0.062 0.000 1.113 416 I CB 2.172 40.238 38.000 0.109 0.000 1.289 416 I HN 0.649 nan 8.210 nan 0.000 0.436 417 T N 1.306 115.873 114.554 0.022 0.000 2.865 417 T HA 0.455 4.809 4.350 0.006 0.000 0.294 417 T C -0.519 174.148 174.700 -0.056 0.000 1.119 417 T CA -0.863 61.208 62.100 -0.048 0.000 1.007 417 T CB 1.300 70.174 68.868 0.009 0.000 1.225 417 T HN 0.755 nan 8.240 nan 0.000 0.515 418 N N 0.237 118.846 118.700 -0.152 0.000 2.482 418 N HA 0.114 4.858 4.740 0.006 0.000 0.242 418 N C 0.728 176.266 175.510 0.046 0.000 1.100 418 N CA -0.102 52.840 53.050 -0.179 0.000 0.946 418 N CB 0.118 38.409 38.487 -0.327 0.000 1.227 418 N HN 0.840 nan 8.380 nan 0.000 0.508 419 H N 2.253 121.344 119.070 0.034 0.000 2.460 419 H HA -0.062 4.497 4.556 0.006 0.000 0.297 419 H C 1.251 176.625 175.328 0.077 0.000 1.103 419 H CA 1.949 58.057 56.048 0.099 0.000 1.292 419 H CB 0.329 30.197 29.762 0.176 0.000 1.376 419 H HN 0.515 nan 8.280 nan 0.000 0.531 420 S N -0.445 115.293 115.700 0.063 0.000 2.419 420 S HA -0.120 4.354 4.470 0.006 0.000 0.233 420 S C 1.119 175.699 174.600 -0.033 0.000 1.016 420 S CA 1.420 59.618 58.200 -0.004 0.000 0.974 420 S CB 0.006 63.239 63.200 0.056 0.000 0.786 420 S HN 0.846 nan 8.310 nan 0.000 0.492 421 D N -2.159 118.230 120.400 -0.019 0.000 2.516 421 D HA 0.236 4.880 4.640 0.006 0.000 0.241 421 D C 1.006 177.288 176.300 -0.030 0.000 1.246 421 D CA 0.664 54.650 54.000 -0.024 0.000 0.808 421 D CB -0.364 40.431 40.800 -0.008 0.000 1.147 421 D HN 0.317 nan 8.370 nan 0.000 0.527 422 G N 0.453 109.242 108.800 -0.019 0.000 2.179 422 G HA2 -0.280 3.684 3.960 0.006 0.000 0.260 422 G HA3 -0.280 3.684 3.960 0.006 0.000 0.260 422 G C 0.412 175.258 174.900 -0.089 0.000 0.977 422 G CA 0.385 45.471 45.100 -0.024 0.000 0.641 422 G HN 0.423 nan 8.290 nan 0.000 0.533 423 T N 1.377 115.878 114.554 -0.090 0.000 2.867 423 T HA 0.361 4.714 4.350 0.006 0.000 0.297 423 T C 0.896 175.497 174.700 -0.166 0.000 0.989 423 T CA 0.168 62.198 62.100 -0.115 0.000 1.159 423 T CB 1.662 70.475 68.868 -0.092 0.000 0.928 423 T HN 0.472 nan 8.240 nan 0.000 0.538 424 V N 6.170 125.964 119.914 -0.201 0.000 2.446 424 V HA 0.036 4.160 4.120 0.006 0.000 0.276 424 V C 0.887 176.883 176.094 -0.162 0.000 1.030 424 V CA -0.129 62.018 62.300 -0.255 0.000 1.033 424 V CB 0.692 32.269 31.823 -0.409 0.000 0.993 424 V HN 0.708 nan 8.190 nan 0.000 0.477 425 L N 4.342 125.475 121.223 -0.150 0.000 2.463 425 L HA 0.494 4.837 4.340 0.006 0.000 0.219 425 L C 1.072 177.915 176.870 -0.044 0.000 1.088 425 L CA 0.842 55.624 54.840 -0.096 0.000 0.849 425 L CB -0.490 41.490 42.059 -0.133 0.000 1.012 425 L HN 0.819 nan 8.230 nan 0.000 0.468 426 G N -1.496 107.260 108.800 -0.073 0.000 2.655 426 G HA2 0.540 4.503 3.960 0.006 0.000 0.296 426 G HA3 0.540 4.503 3.960 0.006 0.000 0.296 426 G C -2.068 172.659 174.900 -0.288 0.000 1.485 426 G CA -0.385 44.636 45.100 -0.132 0.000 0.869 426 G HN -0.290 nan 8.290 nan 0.000 0.540 427 V N 2.690 122.291 119.914 -0.523 0.000 2.577 427 V HA 0.622 4.745 4.120 0.006 0.000 0.303 427 V C -1.039 174.653 176.094 -0.671 0.000 1.042 427 V CA -0.886 61.184 62.300 -0.383 0.000 0.872 427 V CB 1.796 33.572 31.823 -0.079 0.000 0.998 427 V HN 0.814 nan 8.190 nan 0.000 0.423 428 H N 5.495 124.600 119.070 0.059 0.000 2.689 428 H HA 0.668 5.227 4.556 0.006 0.000 0.346 428 H C -1.148 174.193 175.328 0.022 0.000 1.037 428 H CA -0.482 55.593 56.048 0.045 0.000 1.234 428 H CB 2.281 32.072 29.762 0.048 0.000 1.572 428 H HN 0.435 nan 8.280 nan 0.000 0.524 429 L N 3.085 124.341 121.223 0.056 0.000 2.370 429 L HA 0.486 4.830 4.340 0.006 0.000 0.266 429 L C -0.869 175.852 176.870 -0.248 0.000 1.002 429 L CA -1.142 53.642 54.840 -0.095 0.000 0.818 429 L CB 2.620 44.661 42.059 -0.029 0.000 1.325 429 L HN 0.241 nan 8.230 nan 0.000 0.418 430 L N 1.751 122.655 121.223 -0.531 0.000 2.439 430 L HA 0.976 5.320 4.340 0.006 0.000 0.270 430 L C -0.338 176.012 176.870 -0.868 0.000 0.972 430 L CA 0.303 54.840 54.840 -0.505 0.000 0.836 430 L CB 1.606 43.467 42.059 -0.330 0.000 1.255 430 L HN 0.761 nan 8.230 nan 0.000 0.404 431 G N 2.706 111.180 108.800 -0.543 0.000 2.353 431 G HA2 0.101 4.064 3.960 0.006 0.000 0.308 431 G HA3 0.101 4.064 3.960 0.006 0.000 0.308 431 G C -1.803 173.100 174.900 0.006 0.000 1.418 431 G CA -1.001 43.906 45.100 -0.322 0.000 0.966 431 G HN 0.548 nan 8.290 nan 0.000 0.638 432 D N 0.318 120.821 120.400 0.171 0.000 2.533 432 D HA 0.136 4.780 4.640 0.006 0.000 0.236 432 D C 1.249 177.671 176.300 0.203 0.000 1.137 432 D CA 1.334 55.434 54.000 0.167 0.000 0.867 432 D CB 0.215 41.130 40.800 0.191 0.000 1.170 432 D HN 0.683 nan 8.370 nan 0.000 0.474 433 N N 0.352 119.127 118.700 0.125 0.000 2.878 433 N HA -0.282 4.461 4.740 0.006 0.000 0.247 433 N C 1.009 176.585 175.510 0.111 0.000 1.021 433 N CA 0.611 53.728 53.050 0.111 0.000 0.873 433 N CB -0.846 37.704 38.487 0.105 0.000 1.128 433 N HN 0.479 nan 8.380 nan 0.000 0.571 434 A N 0.468 123.345 122.820 0.095 0.000 1.948 434 A HA -0.113 4.211 4.320 0.006 0.000 0.220 434 A C -0.333 177.247 177.584 -0.006 0.000 1.177 434 A CA 1.993 54.062 52.037 0.054 0.000 0.636 434 A CB -1.053 17.900 19.000 -0.078 0.000 0.815 434 A HN 0.314 nan 8.150 nan 0.000 0.449 435 P HA -0.098 nan 4.420 nan 0.000 0.220 435 P C 1.202 178.508 177.300 0.010 0.000 1.148 435 P CA 1.008 64.054 63.100 -0.090 0.000 0.803 435 P CB 0.081 31.666 31.700 -0.191 0.000 0.782 436 E N -0.813 119.413 120.200 0.043 0.000 2.170 436 E HA 0.011 4.364 4.350 0.006 0.000 0.191 436 E C 2.031 178.651 176.600 0.034 0.000 0.981 436 E CA 0.733 57.160 56.400 0.046 0.000 0.830 436 E CB -0.471 29.260 29.700 0.051 0.000 0.775 436 E HN 0.342 nan 8.360 nan 0.000 0.470 437 I N 0.613 121.212 120.570 0.048 0.000 2.353 437 I HA -0.195 3.979 4.170 0.006 0.000 0.248 437 I C 2.333 178.466 176.117 0.027 0.000 1.119 437 I CA 0.468 61.797 61.300 0.047 0.000 1.417 437 I CB -0.103 37.958 38.000 0.103 0.000 1.078 437 I HN 0.005 nan 8.210 nan 0.000 0.421 438 I N 0.933 121.518 120.570 0.026 0.000 2.614 438 I HA -0.270 3.903 4.170 0.006 0.000 0.258 438 I C 2.401 178.516 176.117 -0.003 0.000 1.189 438 I CA 1.333 62.639 61.300 0.009 0.000 1.462 438 I CB -0.327 37.671 38.000 -0.003 0.000 1.092 438 I HN 0.210 nan 8.210 nan 0.000 0.442 439 Q N 0.536 120.335 119.800 -0.002 0.000 2.020 439 Q HA -0.109 4.235 4.340 0.006 0.000 0.202 439 Q C 2.275 178.264 176.000 -0.018 0.000 0.982 439 Q CA 2.218 58.018 55.803 -0.006 0.000 0.838 439 Q CB -1.053 27.685 28.738 0.001 0.000 0.899 439 Q HN 0.460 nan 8.270 nan 0.000 0.423 440 G N 0.697 109.480 108.800 -0.027 0.000 2.450 440 G HA2 -0.224 3.740 3.960 0.006 0.000 0.220 440 G HA3 -0.224 3.740 3.960 0.006 0.000 0.220 440 G C 1.369 176.227 174.900 -0.069 0.000 1.130 440 G CA 1.146 46.216 45.100 -0.050 0.000 0.760 440 G HN 0.597 nan 8.290 nan 0.000 0.557 441 I N -0.725 119.810 120.570 -0.058 0.000 2.761 441 I HA 0.294 4.467 4.170 0.006 0.000 0.261 441 I C 2.411 178.525 176.117 -0.005 0.000 1.198 441 I CA 1.046 62.313 61.300 -0.055 0.000 1.482 441 I CB -0.610 37.379 38.000 -0.018 0.000 1.100 441 I HN -0.041 nan 8.210 nan 0.000 0.445 442 G N 1.859 110.653 108.800 -0.010 0.000 2.442 442 G HA2 -0.180 3.784 3.960 0.006 0.000 0.219 442 G HA3 -0.180 3.784 3.960 0.006 0.000 0.219 442 G C 1.653 176.548 174.900 -0.008 0.000 1.141 442 G CA 1.399 46.495 45.100 -0.007 0.000 0.763 442 G HN 0.541 nan 8.290 nan 0.000 0.554 443 I N 0.295 120.854 120.570 -0.018 0.000 2.252 443 I HA -0.173 4.001 4.170 0.006 0.000 0.245 443 I C 2.802 178.910 176.117 -0.015 0.000 1.102 443 I CA 0.479 61.767 61.300 -0.020 0.000 1.385 443 I CB -0.411 37.571 38.000 -0.031 0.000 1.064 443 I HN 0.175 nan 8.210 nan 0.000 0.414 444 C N 0.642 119.931 119.300 -0.020 0.000 2.413 444 C HA -0.168 4.296 4.460 0.006 0.000 0.276 444 C C 2.696 177.719 174.990 0.055 0.000 1.236 444 C CA 0.597 59.618 59.018 0.006 0.000 1.735 444 C CB -0.995 26.731 27.740 -0.023 0.000 2.031 444 C HN 0.432 nan 8.230 nan 0.000 0.474 445 L N 0.681 121.939 121.223 0.059 0.000 2.201 445 L HA -0.067 4.276 4.340 0.006 0.000 0.212 445 L C 2.382 179.263 176.870 0.018 0.000 1.105 445 L CA 1.569 56.434 54.840 0.041 0.000 0.775 445 L CB -0.581 41.493 42.059 0.026 0.000 0.913 445 L HN 0.192 nan 8.230 nan 0.000 0.440 446 K N -0.354 120.052 120.400 0.009 0.000 2.211 446 K HA -0.009 4.315 4.320 0.006 0.000 0.203 446 K C 1.602 178.204 176.600 0.003 0.000 1.050 446 K CA 1.093 57.381 56.287 0.001 0.000 0.945 446 K CB -0.111 32.385 32.500 -0.006 0.000 0.732 446 K HN 0.243 nan 8.250 nan 0.000 0.451 447 L N 0.626 121.852 121.223 0.006 0.000 2.611 447 L HA 0.107 4.451 4.340 0.006 0.000 0.229 447 L C -0.264 176.612 176.870 0.009 0.000 1.137 447 L CA -0.162 54.680 54.840 0.004 0.000 0.901 447 L CB -0.284 41.774 42.059 -0.001 0.000 1.098 447 L HN 0.231 nan 8.230 nan 0.000 0.456 448 N N 0.518 119.226 118.700 0.012 0.000 2.740 448 N HA -0.164 4.580 4.740 0.006 0.000 0.248 448 N C 0.337 175.851 175.510 0.006 0.000 1.062 448 N CA 0.820 53.874 53.050 0.007 0.000 0.704 448 N CB -0.940 37.550 38.487 0.004 0.000 0.968 448 N HN 0.398 nan 8.380 nan 0.000 0.547 449 A N 0.346 123.187 122.820 0.036 0.000 2.466 449 A HA 0.278 4.601 4.320 0.006 0.000 0.238 449 A C 0.782 178.356 177.584 -0.016 0.000 1.074 449 A CA 0.413 52.488 52.037 0.064 0.000 0.774 449 A CB 0.645 19.783 19.000 0.230 0.000 1.015 449 A HN 0.275 nan 8.150 nan 0.000 0.498 450 K N 1.035 121.401 120.400 -0.055 0.000 2.221 450 K HA 0.372 4.696 4.320 0.006 0.000 0.243 450 K C 0.747 177.177 176.600 -0.284 0.000 0.968 450 K CA -0.868 55.324 56.287 -0.159 0.000 0.846 450 K CB 1.509 33.938 32.500 -0.118 0.000 1.141 450 K HN 0.503 nan 8.250 nan 0.000 0.434 451 I N 2.000 122.320 120.570 -0.417 0.000 2.248 451 I HA -0.330 3.844 4.170 0.006 0.000 0.248 451 I C 2.002 177.660 176.117 -0.765 0.000 1.107 451 I CA 1.932 62.861 61.300 -0.619 0.000 1.373 451 I CB -0.279 37.368 38.000 -0.588 0.000 1.055 451 I HN 0.766 nan 8.210 nan 0.000 0.418 452 S N -0.453 114.831 115.700 -0.692 0.000 2.382 452 S HA -0.206 4.268 4.470 0.006 0.000 0.228 452 S C 1.814 176.081 174.600 -0.556 0.000 1.027 452 S CA 1.356 58.999 58.200 -0.929 0.000 0.991 452 S CB -0.779 62.219 63.200 -0.336 0.000 0.823 452 S HN 0.502 nan 8.310 nan 0.000 0.469 453 D N 0.813 121.067 120.400 -0.242 0.000 2.178 453 D HA 0.006 4.649 4.640 0.006 0.000 0.201 453 D C 1.472 177.794 176.300 0.035 0.000 0.980 453 D CA 0.869 54.837 54.000 -0.053 0.000 0.842 453 D CB -0.302 40.520 40.800 0.036 0.000 0.948 453 D HN 0.381 nan 8.370 nan 0.000 0.472 454 F N 0.756 120.534 119.950 -0.286 0.000 2.098 454 F HA -0.140 4.391 4.527 0.006 0.000 0.294 454 F C 2.219 177.959 175.800 -0.100 0.000 1.107 454 F CA 0.627 58.520 58.000 -0.180 0.000 1.234 454 F CB -1.374 37.519 39.000 -0.178 0.000 1.002 454 F HN 0.069 nan 8.300 nan 0.000 0.472 455 Y N -1.358 119.021 120.300 0.132 0.000 2.632 455 Y HA 0.151 4.704 4.550 0.006 0.000 0.301 455 Y C 1.143 177.059 175.900 0.027 0.000 1.172 455 Y CA 0.024 58.156 58.100 0.053 0.000 1.328 455 Y CB -1.737 36.740 38.460 0.028 0.000 1.016 455 Y HN -0.014 nan 8.280 nan 0.000 0.529 456 N N 0.041 118.831 118.700 0.151 0.000 2.270 456 N HA 0.046 4.789 4.740 0.006 0.000 0.198 456 N C -0.390 175.151 175.510 0.051 0.000 1.117 456 N CA 0.341 53.464 53.050 0.121 0.000 0.845 456 N CB 0.231 38.758 38.487 0.066 0.000 0.980 456 N HN 0.232 nan 8.380 nan 0.000 0.486 457 T N 1.228 115.800 114.554 0.030 0.000 2.837 457 T HA 0.420 4.773 4.350 0.006 0.000 0.285 457 T C 0.796 175.495 174.700 -0.002 0.000 0.984 457 T CA -0.412 61.681 62.100 -0.011 0.000 1.049 457 T CB 1.570 70.401 68.868 -0.061 0.000 0.947 457 T HN -0.064 nan 8.240 nan 0.000 0.472 458 I N 2.461 123.024 120.570 -0.011 0.000 2.529 458 I HA 0.320 4.493 4.170 0.006 0.000 0.284 458 I C 1.348 177.453 176.117 -0.019 0.000 1.082 458 I CA -0.209 61.085 61.300 -0.011 0.000 1.406 458 I CB 0.648 38.641 38.000 -0.012 0.000 1.405 458 I HN 0.658 nan 8.210 nan 0.000 0.548 459 G N 5.087 113.876 108.800 -0.017 0.000 2.537 459 G HA2 0.441 4.404 3.960 0.006 0.000 0.273 459 G HA3 0.441 4.404 3.960 0.006 0.000 0.273 459 G C -0.523 174.379 174.900 0.002 0.000 1.189 459 G CA -0.429 44.661 45.100 -0.015 0.000 0.881 459 G HN 0.385 nan 8.290 nan 0.000 0.535 460 V N 1.513 121.430 119.914 0.005 0.000 2.364 460 V HA 0.224 4.347 4.120 0.006 0.000 0.272 460 V C -0.242 175.887 176.094 0.058 0.000 1.036 460 V CA -0.549 61.761 62.300 0.017 0.000 0.880 460 V CB 0.658 32.475 31.823 -0.011 0.000 0.991 460 V HN 0.791 nan 8.190 nan 0.000 0.460 461 H N 6.603 125.646 119.070 -0.045 0.000 2.459 461 H HA 0.732 5.291 4.556 0.006 0.000 0.332 461 H C -2.460 172.846 175.328 -0.037 0.000 1.094 461 H CA -1.789 54.231 56.048 -0.047 0.000 1.224 461 H CB 1.801 31.537 29.762 -0.044 0.000 1.449 461 H HN 0.536 nan 8.280 nan 0.000 0.484 462 P HA 0.398 nan 4.420 nan 0.000 0.305 462 P C -1.468 175.724 177.300 -0.179 0.000 1.378 462 P CA -0.716 62.100 63.100 -0.473 0.000 0.926 462 P CB 1.903 33.217 31.700 -0.644 0.000 1.051 463 T N -2.449 112.045 114.554 -0.100 0.000 2.821 463 T HA 0.332 4.686 4.350 0.006 0.000 0.306 463 T C 0.659 175.303 174.700 -0.094 0.000 1.313 463 T CA -0.541 61.512 62.100 -0.079 0.000 1.012 463 T CB 0.968 69.800 68.868 -0.059 0.000 1.298 463 T HN -0.018 nan 8.240 nan 0.000 0.502 464 S N 0.295 115.927 115.700 -0.113 0.000 2.387 464 S HA 0.053 4.526 4.470 0.006 0.000 0.226 464 S C 2.445 176.920 174.600 -0.209 0.000 1.026 464 S CA 1.015 59.081 58.200 -0.224 0.000 0.972 464 S CB -0.772 62.130 63.200 -0.496 0.000 0.814 464 S HN 0.937 nan 8.310 nan 0.000 0.477 465 A N 2.219 124.976 122.820 -0.105 0.000 1.978 465 A HA -0.198 4.126 4.320 0.006 0.000 0.220 465 A C 1.982 179.543 177.584 -0.039 0.000 1.170 465 A CA 1.671 53.685 52.037 -0.038 0.000 0.636 465 A CB -0.637 18.350 19.000 -0.022 0.000 0.810 465 A HN 0.771 nan 8.150 nan 0.000 0.448 466 E N -0.439 119.726 120.200 -0.060 0.000 2.265 466 E HA -0.198 4.155 4.350 0.006 0.000 0.196 466 E C 1.172 177.739 176.600 -0.056 0.000 0.996 466 E CA 1.021 57.392 56.400 -0.048 0.000 0.832 466 E CB -0.247 29.436 29.700 -0.028 0.000 0.756 466 E HN 0.504 nan 8.360 nan 0.000 0.491 467 E N 0.656 120.798 120.200 -0.098 0.000 2.204 467 E HA -0.125 4.229 4.350 0.006 0.000 0.195 467 E C 1.830 178.456 176.600 0.043 0.000 0.990 467 E CA 0.557 56.899 56.400 -0.097 0.000 0.821 467 E CB -0.028 29.553 29.700 -0.198 0.000 0.750 467 E HN 0.320 nan 8.360 nan 0.000 0.477 468 L N -0.402 120.875 121.223 0.090 0.000 2.291 468 L HA -0.101 4.243 4.340 0.006 0.000 0.214 468 L C 1.927 178.915 176.870 0.197 0.000 1.120 468 L CA 0.928 55.873 54.840 0.175 0.000 0.799 468 L CB -0.470 41.699 42.059 0.184 0.000 0.925 468 L HN 0.115 nan 8.230 nan 0.000 0.446 469 C N -1.810 117.554 119.300 0.106 0.000 2.754 469 C HA 0.206 4.670 4.460 0.006 0.000 0.276 469 C C 1.822 176.886 174.990 0.125 0.000 1.264 469 C CA -0.060 59.029 59.018 0.118 0.000 1.700 469 C CB -1.022 26.740 27.740 0.037 0.000 1.885 469 C HN 0.376 nan 8.230 nan 0.000 0.607 470 S N 0.243 115.997 115.700 0.090 0.000 2.650 470 S HA 0.319 4.793 4.470 0.006 0.000 0.240 470 S C 0.240 174.880 174.600 0.066 0.000 1.007 470 S CA -0.045 58.184 58.200 0.048 0.000 0.984 470 S CB -0.064 63.124 63.200 -0.019 0.000 0.910 470 S HN 0.547 nan 8.310 nan 0.000 0.509 471 M N 1.807 121.488 119.600 0.134 0.000 2.080 471 M HA 0.388 4.872 4.480 0.006 0.000 0.350 471 M C 0.810 177.245 176.300 0.224 0.000 1.143 471 M CA -0.161 55.237 55.300 0.164 0.000 1.064 471 M CB 1.029 33.732 32.600 0.172 0.000 1.429 471 M HN 0.056 nan 8.290 nan 0.000 0.418 472 R N 0.050 120.609 120.500 0.098 0.000 2.225 472 R HA 0.179 4.523 4.340 0.006 0.000 0.194 472 R C 0.005 176.421 176.300 0.193 0.000 0.957 472 R CA 0.587 56.627 56.100 -0.099 0.000 1.042 472 R CB 0.667 30.670 30.300 -0.495 0.000 1.004 472 R HN 0.458 nan 8.270 nan 0.000 0.509 473 T N 2.638 117.296 114.554 0.174 0.000 2.807 473 T HA 0.363 4.717 4.350 0.006 0.000 0.279 473 T C -2.587 171.972 174.700 -0.236 0.000 0.993 473 T CA -1.603 60.519 62.100 0.037 0.000 0.970 473 T CB 2.412 71.277 68.868 -0.006 0.000 0.950 473 T HN -0.155 nan 8.240 nan 0.000 0.441 474 P HA 0.264 nan 4.420 nan 0.000 0.272 474 P C 0.274 177.182 177.300 -0.653 0.000 1.230 474 P CA -0.244 62.151 63.100 -1.174 0.000 0.788 474 P CB 0.579 31.410 31.700 -1.448 0.000 0.949 475 S N 0.049 115.389 115.700 -0.599 0.000 2.456 475 S HA 0.124 4.598 4.470 0.006 0.000 0.224 475 S C 0.042 174.546 174.600 -0.160 0.000 1.035 475 S CA 0.631 58.668 58.200 -0.272 0.000 0.940 475 S CB -0.438 62.683 63.200 -0.131 0.000 0.799 475 S HN 0.671 nan 8.310 nan 0.000 0.508 476 Y N -1.791 118.235 120.300 -0.457 0.000 2.713 476 Y HA 0.711 5.264 4.550 0.006 0.000 0.335 476 Y C -1.696 173.848 175.900 -0.592 0.000 1.222 476 Y CA -2.150 55.731 58.100 -0.365 0.000 1.061 476 Y CB 0.430 38.754 38.460 -0.227 0.000 1.314 476 Y HN -0.087 nan 8.280 nan 0.000 0.453 477 Y N -0.637 119.614 120.300 -0.081 0.000 2.665 477 Y HA 0.693 5.246 4.550 0.006 0.000 0.336 477 Y C -1.502 174.298 175.900 -0.167 0.000 1.085 477 Y CA -1.984 56.024 58.100 -0.153 0.000 1.096 477 Y CB 1.495 39.849 38.460 -0.176 0.000 1.301 477 Y HN 0.597 nan 8.280 nan 0.000 0.493 478 Y N 0.224 120.670 120.300 0.243 0.000 2.363 478 Y HA 0.571 5.125 4.550 0.006 0.000 0.325 478 Y C -0.942 175.046 175.900 0.147 0.000 0.984 478 Y CA -1.099 57.108 58.100 0.178 0.000 1.248 478 Y CB 1.666 40.221 38.460 0.158 0.000 1.116 478 Y HN 0.245 nan 8.280 nan 0.000 0.470 479 V N 4.883 124.943 119.914 0.245 0.000 2.334 479 V HA 0.242 4.365 4.120 0.006 0.000 0.281 479 V C -0.025 176.160 176.094 0.150 0.000 1.016 479 V CA -1.432 60.967 62.300 0.164 0.000 0.832 479 V CB 1.135 33.011 31.823 0.089 0.000 0.999 479 V HN 0.756 nan 8.190 nan 0.000 0.439 480 K N 4.158 124.642 120.400 0.140 0.000 3.071 480 K HA -0.265 4.058 4.320 0.006 0.000 0.262 480 K C 1.204 177.871 176.600 0.111 0.000 0.977 480 K CA 0.621 56.970 56.287 0.104 0.000 0.721 480 K CB -1.460 31.084 32.500 0.073 0.000 1.293 480 K HN 1.479 nan 8.250 nan 0.000 0.475 481 G N -0.334 108.559 108.800 0.156 0.000 2.234 481 G HA2 -0.344 3.620 3.960 0.006 0.000 0.260 481 G HA3 -0.344 3.620 3.960 0.006 0.000 0.260 481 G C -0.101 174.946 174.900 0.245 0.000 0.987 481 G CA 0.801 45.995 45.100 0.156 0.000 0.625 481 G HN 0.528 nan 8.290 nan 0.000 0.532 482 E N 0.546 120.872 120.200 0.209 0.000 2.266 482 E HA 0.488 4.841 4.350 0.006 0.000 0.277 482 E C 0.181 176.869 176.600 0.146 0.000 1.018 482 E CA -0.654 55.840 56.400 0.157 0.000 0.840 482 E CB 1.369 31.119 29.700 0.083 0.000 1.082 482 E HN 0.285 nan 8.360 nan 0.000 0.395 483 K N 3.576 123.996 120.400 0.034 0.000 2.276 483 K HA 0.305 4.629 4.320 0.006 0.000 0.283 483 K C -0.740 175.810 176.600 -0.083 0.000 1.044 483 K CA 0.154 56.330 56.287 -0.186 0.000 0.944 483 K CB 0.548 32.864 32.500 -0.308 0.000 1.012 483 K HN 0.503 nan 8.250 nan 0.000 0.472 484 M N 2.450 122.027 119.600 -0.039 0.000 2.618 484 M HA 0.333 4.816 4.480 0.006 0.000 0.281 484 M C -1.155 175.215 176.300 0.117 0.000 1.267 484 M CA -0.742 54.568 55.300 0.016 0.000 0.845 484 M CB 2.741 35.340 32.600 -0.001 0.000 1.732 484 M HN 0.611 nan 8.290 nan 0.000 0.461 485 E N 0.376 120.624 120.200 0.080 0.000 2.445 485 E HA 0.501 4.854 4.350 0.006 0.000 0.273 485 E C -1.515 175.117 176.600 0.052 0.000 0.961 485 E CA -1.116 55.371 56.400 0.146 0.000 0.807 485 E CB 2.713 32.468 29.700 0.092 0.000 1.362 485 E HN 0.392 nan 8.360 nan 0.000 0.453 486 K N 2.264 122.715 120.400 0.086 0.000 2.183 486 K HA 0.368 4.692 4.320 0.006 0.000 0.274 486 K C -1.872 174.744 176.600 0.026 0.000 1.009 486 K CA -1.441 54.861 56.287 0.024 0.000 0.888 486 K CB 0.792 33.324 32.500 0.052 0.000 1.078 486 K HN 0.397 nan 8.250 nan 0.000 0.459 487 P HA 0.000 nan 4.420 nan 0.000 0.216 487 P CA 0.000 63.105 63.100 0.008 0.000 0.800 487 P CB 0.000 31.700 31.700 0.000 0.000 0.726