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 2wpf_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKAFDLVVIG AGSGGLEAGW NAATLYGKRV AVVDVQTSHG PPFYAALGGT DATA SEQUENCE cVNVGcVPKK LMVTGAQYMD HLRESAGFGW EFDGSSVKAN WKKLIAAKNE DATA SEQUENCE AVLDINKSYE GMFNDTEGLD FFLGWGSLES KNVVVVRETA DPKSAVKERL DATA SEQUENCE QADHILLATG SWPQMPAIPG IEHCISSNEA FYLPEPPRRV LTVGGGFISV DATA SEQUENCE EFAGIFNAYK PPGGKVTLCY RNNLILRGFD ETIREEVTKQ LTANGIEIMT DATA SEQUENCE NENPAKVSLN TDGSKHVTFE SGKTLDVDVV MMAIGRIPRT NDLQLGNVGV DATA SEQUENCE KLTPKGGVQV DEFSRTNVPN IYAIGDITDR LMLTPVAINE GAALVDTVFG DATA SEQUENCE NKPRKTDHTR VASAVFSIPP IGTCGLIEEV AAKEFEKVAV YMSSFTPLMH DATA SEQUENCE NISGSKYKKF VAKIVTNHSD GTVLGVHLLG DGAPEIIQAV GVCLRLNAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPSYYYVKG EKMEKLP 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.602 174.600 0.003 0.000 1.055 2 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 2 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 3 K N -0.119 120.277 120.400 -0.006 0.000 2.707 3 K HA 0.506 4.826 4.320 -0.000 0.000 0.275 3 K C -1.678 174.870 176.600 -0.086 0.000 1.060 3 K CA -0.514 55.757 56.287 -0.026 0.000 0.969 3 K CB 1.164 33.741 32.500 0.127 0.000 1.379 3 K HN 0.732 nan 8.250 nan 0.000 0.409 4 A N 3.189 125.809 122.820 -0.334 0.000 2.318 4 A HA 0.889 5.209 4.320 -0.000 0.000 0.317 4 A C -1.337 175.965 177.584 -0.470 0.000 1.159 4 A CA -0.480 51.404 52.037 -0.254 0.000 0.799 4 A CB 0.315 19.221 19.000 -0.155 0.000 1.194 4 A HN 0.494 nan 8.150 nan 0.000 0.479 5 F N 0.355 120.328 119.950 0.038 0.000 2.603 5 F HA 0.365 4.891 4.527 -0.000 0.000 0.317 5 F C 0.846 176.703 175.800 0.095 0.000 1.066 5 F CA -0.637 57.404 58.000 0.068 0.000 0.941 5 F CB 2.004 41.056 39.000 0.086 0.000 1.291 5 F HN 0.617 nan 8.300 nan 0.000 0.472 6 D N 0.572 121.161 120.400 0.315 0.000 2.149 6 D HA -0.013 4.627 4.640 -0.000 0.000 0.201 6 D C -0.100 176.474 176.300 0.457 0.000 0.972 6 D CA 1.608 55.805 54.000 0.328 0.000 0.835 6 D CB 0.435 41.325 40.800 0.149 0.000 0.966 6 D HN 0.144 nan 8.370 nan 0.000 0.476 7 L N 0.505 121.944 121.223 0.361 0.000 2.470 7 L HA 0.291 4.630 4.340 -0.000 0.000 0.268 7 L C -1.448 175.541 176.870 0.198 0.000 0.964 7 L CA -0.603 54.444 54.840 0.345 0.000 0.839 7 L CB 2.350 44.603 42.059 0.323 0.000 1.276 7 L HN -0.361 nan 8.230 nan 0.000 0.403 8 V N 5.395 125.404 119.914 0.158 0.000 2.417 8 V HA 0.575 4.694 4.120 -0.000 0.000 0.291 8 V C -0.424 175.721 176.094 0.086 0.000 1.024 8 V CA -0.729 61.590 62.300 0.031 0.000 0.861 8 V CB 1.755 33.558 31.823 -0.034 0.000 0.985 8 V HN 0.492 nan 8.190 nan 0.000 0.436 9 V N 6.277 126.238 119.914 0.077 0.000 2.370 9 V HA 0.462 4.582 4.120 -0.000 0.000 0.283 9 V C -0.024 176.115 176.094 0.074 0.000 1.023 9 V CA -0.385 61.982 62.300 0.112 0.000 0.857 9 V CB 1.555 33.469 31.823 0.152 0.000 0.985 9 V HN 0.682 nan 8.190 nan 0.000 0.443 10 I N 4.705 125.314 120.570 0.065 0.000 2.291 10 I HA 0.679 4.848 4.170 -0.000 0.000 0.290 10 I C 0.754 176.901 176.117 0.051 0.000 1.050 10 I CA -0.017 61.300 61.300 0.030 0.000 1.245 10 I CB 1.027 39.037 38.000 0.016 0.000 1.405 10 I HN 0.880 nan 8.210 nan 0.000 0.478 11 G N 4.481 113.314 108.800 0.055 0.000 3.306 11 G HA2 0.109 4.069 3.960 -0.000 0.000 0.672 11 G HA3 0.109 4.069 3.960 -0.000 0.000 0.672 11 G C -0.223 174.763 174.900 0.143 0.000 1.212 11 G CA -0.422 44.726 45.100 0.080 0.000 1.150 11 G HN 0.863 nan 8.290 nan 0.000 0.509 12 A N 1.531 124.465 122.820 0.189 0.000 3.019 12 A HA 0.710 5.029 4.320 -0.000 0.000 0.262 12 A C 1.425 179.124 177.584 0.193 0.000 1.509 12 A CA 1.185 53.372 52.037 0.249 0.000 1.159 12 A CB -0.348 18.866 19.000 0.356 0.000 1.042 12 A HN 1.921 nan 8.150 nan 0.000 0.641 13 G N -1.053 107.840 108.800 0.155 0.000 2.583 13 G HA2 0.388 4.348 3.960 -0.000 0.000 0.280 13 G HA3 0.388 4.348 3.960 -0.000 0.000 0.280 13 G C 1.088 176.054 174.900 0.111 0.000 1.376 13 G CA 0.426 45.610 45.100 0.140 0.000 1.043 13 G HN 0.259 nan 8.290 nan 0.000 0.538 14 S N -0.264 115.499 115.700 0.104 0.000 2.380 14 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 14 S C 2.443 177.082 174.600 0.064 0.000 1.050 14 S CA 2.069 60.314 58.200 0.075 0.000 1.100 14 S CB -0.799 62.449 63.200 0.081 0.000 0.984 14 S HN 0.833 nan 8.310 nan 0.000 0.434 15 G N 0.667 109.518 108.800 0.084 0.000 2.394 15 G HA2 0.089 4.048 3.960 -0.000 0.000 0.215 15 G HA3 0.089 4.048 3.960 -0.000 0.000 0.215 15 G C 1.437 176.395 174.900 0.096 0.000 1.165 15 G CA 0.827 45.979 45.100 0.087 0.000 0.784 15 G HN 0.581 nan 8.290 nan 0.000 0.535 16 G N 0.919 109.785 108.800 0.110 0.000 2.421 16 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.216 16 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.216 16 G C 1.796 176.774 174.900 0.131 0.000 1.171 16 G CA 0.664 45.843 45.100 0.131 0.000 0.775 16 G HN 0.383 nan 8.290 nan 0.000 0.543 17 L N -0.000 121.279 121.223 0.093 0.000 2.017 17 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 17 L C 2.829 179.717 176.870 0.031 0.000 1.073 17 L CA 1.596 56.451 54.840 0.025 0.000 0.745 17 L CB -0.397 41.600 42.059 -0.104 0.000 0.894 17 L HN 0.274 nan 8.230 nan 0.000 0.432 18 E N 0.508 120.722 120.200 0.025 0.000 2.049 18 E HA -0.250 4.100 4.350 -0.000 0.000 0.198 18 E C 2.087 178.773 176.600 0.143 0.000 1.007 18 E CA 1.875 58.308 56.400 0.055 0.000 0.809 18 E CB -0.152 29.572 29.700 0.040 0.000 0.749 18 E HN 0.390 nan 8.360 nan 0.000 0.450 19 A N -0.091 122.811 122.820 0.136 0.000 1.902 19 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 19 A C 2.475 180.165 177.584 0.177 0.000 1.181 19 A CA 1.875 54.007 52.037 0.159 0.000 0.623 19 A CB -1.267 17.822 19.000 0.149 0.000 0.818 19 A HN 0.425 nan 8.150 nan 0.000 0.443 20 G N -1.733 107.170 108.800 0.172 0.000 2.394 20 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.215 20 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.215 20 G C 1.513 176.496 174.900 0.138 0.000 1.165 20 G CA 0.827 46.022 45.100 0.158 0.000 0.784 20 G HN 0.642 nan 8.290 nan 0.000 0.535 21 W N 1.849 123.114 121.300 -0.058 0.000 2.355 21 W HA -0.114 4.545 4.660 -0.000 0.000 0.309 21 W C 1.969 178.461 176.519 -0.045 0.000 1.206 21 W CA 1.430 58.715 57.345 -0.100 0.000 1.284 21 W CB -0.295 29.075 29.460 -0.149 0.000 1.145 21 W HN 0.164 nan 8.180 nan 0.000 0.502 22 N N 0.935 119.795 118.700 0.266 0.000 2.058 22 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 22 N C 2.014 177.611 175.510 0.145 0.000 1.037 22 N CA 2.530 55.689 53.050 0.182 0.000 0.848 22 N CB -1.298 37.343 38.487 0.256 0.000 1.021 22 N HN 0.146 nan 8.380 nan 0.000 0.422 23 A N 1.144 124.068 122.820 0.173 0.000 1.863 23 A HA -0.218 4.101 4.320 -0.000 0.000 0.218 23 A C 2.357 179.896 177.584 -0.075 0.000 1.233 23 A CA 2.968 55.032 52.037 0.045 0.000 0.655 23 A CB -1.442 17.520 19.000 -0.064 0.000 0.839 23 A HN 0.371 nan 8.150 nan 0.000 0.454 24 A N -1.091 121.652 122.820 -0.128 0.000 1.841 24 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 24 A C 2.535 179.951 177.584 -0.281 0.000 1.199 24 A CA 3.444 55.364 52.037 -0.196 0.000 0.621 24 A CB -1.621 17.248 19.000 -0.219 0.000 0.835 24 A HN 1.008 nan 8.150 nan 0.000 0.445 25 T N -1.830 112.447 114.554 -0.463 0.000 2.857 25 T HA 0.047 4.396 4.350 -0.000 0.000 0.266 25 T C 1.766 176.258 174.700 -0.347 0.000 1.048 25 T CA 1.461 63.255 62.100 -0.509 0.000 1.139 25 T CB -0.442 67.899 68.868 -0.877 0.000 0.874 25 T HN 0.285 nan 8.240 nan 0.000 0.455 26 L N -1.736 119.283 121.223 -0.341 0.000 2.249 26 L HA 0.268 4.608 4.340 -0.000 0.000 0.207 26 L C 1.919 178.398 176.870 -0.652 0.000 1.090 26 L CA 0.723 55.264 54.840 -0.498 0.000 0.802 26 L CB -0.287 41.386 42.059 -0.642 0.000 0.947 26 L HN 0.170 nan 8.230 nan 0.000 0.453 27 Y N -0.068 120.170 120.300 -0.104 0.000 2.467 27 Y HA 0.342 4.892 4.550 -0.000 0.000 0.250 27 Y C 1.774 177.597 175.900 -0.128 0.000 1.155 27 Y CA 0.025 58.068 58.100 -0.095 0.000 1.249 27 Y CB 0.242 38.649 38.460 -0.087 0.000 1.146 27 Y HN 0.192 nan 8.280 nan 0.000 0.524 28 G N 0.699 109.462 108.800 -0.063 0.000 2.187 28 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.261 28 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.261 28 G C 0.318 175.172 174.900 -0.076 0.000 1.000 28 G CA 0.077 45.133 45.100 -0.073 0.000 0.718 28 G HN 0.099 nan 8.290 nan 0.000 0.519 29 K N -0.267 120.053 120.400 -0.134 0.000 2.138 29 K HA 0.342 4.662 4.320 -0.000 0.000 0.251 29 K C 0.668 177.224 176.600 -0.074 0.000 1.015 29 K CA -0.634 55.541 56.287 -0.186 0.000 0.917 29 K CB 0.723 32.909 32.500 -0.523 0.000 1.021 29 K HN 0.278 nan 8.250 nan 0.000 0.485 30 R N 1.410 121.916 120.500 0.011 0.000 2.207 30 R HA 0.280 4.620 4.340 -0.000 0.000 0.334 30 R C -0.975 175.533 176.300 0.346 0.000 1.013 30 R CA -0.369 55.827 56.100 0.160 0.000 0.858 30 R CB 0.539 30.896 30.300 0.095 0.000 1.094 30 R HN 0.233 nan 8.270 nan 0.000 0.457 31 V N 2.843 122.965 119.914 0.345 0.000 2.604 31 V HA 0.658 4.778 4.120 -0.000 0.000 0.305 31 V C -0.366 175.756 176.094 0.047 0.000 1.043 31 V CA -0.935 61.492 62.300 0.212 0.000 0.888 31 V CB 1.781 33.674 31.823 0.117 0.000 0.995 31 V HN 0.863 nan 8.190 nan 0.000 0.429 32 A N 3.830 126.467 122.820 -0.306 0.000 2.355 32 A HA 0.918 5.237 4.320 -0.000 0.000 0.317 32 A C -1.066 176.491 177.584 -0.045 0.000 1.094 32 A CA -0.588 51.206 52.037 -0.405 0.000 0.764 32 A CB 1.802 20.072 19.000 -1.216 0.000 1.230 32 A HN 0.701 nan 8.150 nan 0.000 0.448 33 V N 2.563 122.538 119.914 0.102 0.000 2.588 33 V HA 0.517 4.637 4.120 -0.000 0.000 0.304 33 V C -0.504 175.596 176.094 0.011 0.000 1.042 33 V CA -0.533 61.860 62.300 0.154 0.000 0.877 33 V CB 1.743 33.825 31.823 0.431 0.000 0.996 33 V HN 0.699 nan 8.190 nan 0.000 0.425 34 V N 3.508 123.409 119.914 -0.022 0.000 2.459 34 V HA 0.656 4.776 4.120 -0.000 0.000 0.295 34 V C -0.567 175.466 176.094 -0.102 0.000 1.029 34 V CA -0.386 61.805 62.300 -0.182 0.000 0.874 34 V CB 1.822 33.558 31.823 -0.145 0.000 0.985 34 V HN 0.917 nan 8.190 nan 0.000 0.438 35 D N 1.508 121.805 120.400 -0.172 0.000 2.661 35 D HA 0.300 4.940 4.640 -0.000 0.000 0.228 35 D C 0.542 176.746 176.300 -0.160 0.000 1.210 35 D CA -0.355 53.628 54.000 -0.027 0.000 0.826 35 D CB 2.996 43.966 40.800 0.283 0.000 1.542 35 D HN 0.407 nan 8.370 nan 0.000 0.447 36 V N 0.045 119.742 119.914 -0.361 0.000 3.217 36 V HA 0.177 4.297 4.120 -0.000 0.000 0.264 36 V C 0.481 176.535 176.094 -0.066 0.000 1.135 36 V CA 1.061 63.024 62.300 -0.561 0.000 1.142 36 V CB -0.223 30.752 31.823 -1.414 0.000 0.754 36 V HN 0.485 nan 8.190 nan 0.000 0.484 37 Q N -0.555 119.290 119.800 0.075 0.000 2.426 37 Q HA 0.341 4.681 4.340 -0.000 0.000 0.278 37 Q C 0.402 176.482 176.000 0.135 0.000 1.007 37 Q CA 0.364 56.252 55.803 0.142 0.000 0.850 37 Q CB 2.207 31.047 28.738 0.169 0.000 1.427 37 Q HN 0.425 nan 8.270 nan 0.000 0.391 38 T N -1.631 112.972 114.554 0.082 0.000 3.037 38 T HA 0.238 4.588 4.350 -0.000 0.000 0.251 38 T C 0.625 175.313 174.700 -0.020 0.000 1.079 38 T CA 0.284 62.381 62.100 -0.005 0.000 1.067 38 T CB 0.432 69.287 68.868 -0.022 0.000 0.948 38 T HN 0.206 nan 8.240 nan 0.000 0.496 39 S N 0.961 116.655 115.700 -0.010 0.000 2.569 39 S HA 0.508 4.977 4.470 -0.000 0.000 0.280 39 S C -0.773 173.802 174.600 -0.042 0.000 1.111 39 S CA -0.977 57.205 58.200 -0.029 0.000 0.887 39 S CB 0.986 64.131 63.200 -0.091 0.000 1.095 39 S HN 0.728 nan 8.310 nan 0.000 0.476 40 H N 1.090 120.156 119.070 -0.007 0.000 2.771 40 H HA 0.670 5.226 4.556 -0.000 0.000 0.364 40 H C 0.660 175.962 175.328 -0.043 0.000 1.133 40 H CA 0.440 56.506 56.048 0.031 0.000 1.423 40 H CB 0.219 30.031 29.762 0.084 0.000 1.425 40 H HN 1.064 nan 8.280 nan 0.000 0.606 41 G N 0.851 109.618 108.800 -0.055 0.000 2.408 41 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.682 41 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.682 41 G C -3.067 171.356 174.900 -0.795 0.000 1.303 41 G CA -0.862 43.918 45.100 -0.534 0.000 0.966 41 G HN 0.759 nan 8.290 nan 0.000 0.560 42 P HA 0.149 nan 4.420 nan 0.000 0.266 42 P C -1.637 175.288 177.300 -0.626 0.000 1.186 42 P CA -0.448 62.058 63.100 -0.989 0.000 0.767 42 P CB 0.386 31.742 31.700 -0.573 0.000 0.820 43 P HA 0.077 nan 4.420 nan 0.000 0.234 43 P C 0.471 177.524 177.300 -0.413 0.000 1.175 43 P CA 1.071 63.803 63.100 -0.614 0.000 0.801 43 P CB 0.159 31.394 31.700 -0.776 0.000 0.891 44 F N -2.601 117.283 119.950 -0.110 0.000 2.678 44 F HA 0.251 4.778 4.527 -0.000 0.000 0.305 44 F C 1.215 177.229 175.800 0.357 0.000 1.090 44 F CA -0.993 57.124 58.000 0.196 0.000 1.272 44 F CB -0.680 38.423 39.000 0.172 0.000 1.060 44 F HN -0.265 nan 8.300 nan 0.000 0.576 45 Y N -0.876 119.621 120.300 0.329 0.000 2.730 45 Y HA -0.412 4.138 4.550 -0.000 0.000 0.479 45 Y C 1.707 177.779 175.900 0.287 0.000 1.088 45 Y CA 0.267 58.550 58.100 0.305 0.000 2.941 45 Y CB -1.980 36.699 38.460 0.365 0.000 1.051 45 Y HN 0.014 nan 8.280 nan 0.000 0.592 46 A N 2.059 125.186 122.820 0.513 0.000 2.520 46 A HA 0.561 4.881 4.320 -0.000 0.000 0.235 46 A C 0.595 178.322 177.584 0.238 0.000 1.065 46 A CA 0.911 53.149 52.037 0.335 0.000 0.764 46 A CB -0.044 19.163 19.000 0.345 0.000 1.002 46 A HN 1.459 nan 8.150 nan 0.000 0.502 47 A N 0.706 123.633 122.820 0.178 0.000 3.201 47 A HA 0.612 4.932 4.320 -0.000 0.000 0.303 47 A C -0.733 176.930 177.584 0.133 0.000 1.173 47 A CA -0.572 51.547 52.037 0.136 0.000 0.621 47 A CB -0.175 18.892 19.000 0.113 0.000 1.468 47 A HN 1.654 nan 8.150 nan 0.000 0.632 48 L N 1.118 122.399 121.223 0.097 0.000 2.584 48 L HA 0.433 4.773 4.340 -0.000 0.000 0.272 48 L C 1.271 178.260 176.870 0.198 0.000 1.195 48 L CA 2.558 57.458 54.840 0.099 0.000 0.920 48 L CB -0.085 41.930 42.059 -0.074 0.000 1.173 48 L HN 1.918 nan 8.230 nan 0.000 0.489 49 G N 2.029 111.015 108.800 0.309 0.000 2.238 49 G HA2 0.105 4.065 3.960 -0.000 0.000 0.217 49 G HA3 0.105 4.065 3.960 -0.000 0.000 0.217 49 G C 0.985 176.017 174.900 0.221 0.000 0.996 49 G CA 0.055 45.384 45.100 0.381 0.000 0.632 49 G HN 1.903 nan 8.290 nan 0.000 0.503 50 G N -1.343 107.563 108.800 0.176 0.000 2.681 50 G HA2 0.090 4.049 3.960 -0.000 0.000 0.220 50 G HA3 0.090 4.049 3.960 -0.000 0.000 0.220 50 G C 0.752 175.738 174.900 0.143 0.000 1.353 50 G CA 0.788 45.983 45.100 0.158 0.000 0.872 50 G HN 1.216 nan 8.290 nan 0.000 0.557 51 T N -0.469 114.176 114.554 0.152 0.000 2.812 51 T HA -0.123 4.227 4.350 -0.000 0.000 0.264 51 T C 2.467 177.219 174.700 0.088 0.000 1.042 51 T CA 2.361 64.549 62.100 0.146 0.000 1.140 51 T CB -0.538 68.439 68.868 0.182 0.000 0.870 51 T HN 0.995 nan 8.240 nan 0.000 0.445 52 c N 1.230 119.887 118.600 0.094 0.000 2.413 52 c HA -0.082 4.488 4.570 -0.000 0.000 0.277 52 c C 2.747 176.838 174.090 0.000 0.000 1.228 52 c CA 0.765 57.133 56.329 0.064 0.000 1.731 52 c CB -1.201 41.355 42.510 0.077 0.000 2.042 52 c HN 0.372 nan 8.230 nan 0.000 0.468 53 V N 1.824 121.743 119.914 0.010 0.000 2.343 53 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 53 V C 2.263 178.290 176.094 -0.112 0.000 1.051 53 V CA 2.421 64.687 62.300 -0.056 0.000 1.036 53 V CB -0.670 31.124 31.823 -0.049 0.000 0.654 53 V HN 0.607 nan 8.190 nan 0.000 0.451 54 N N -0.016 118.646 118.700 -0.065 0.000 2.436 54 N HA 0.032 4.771 4.740 -0.000 0.000 0.178 54 N C 0.864 176.221 175.510 -0.255 0.000 1.026 54 N CA 1.598 54.608 53.050 -0.065 0.000 0.880 54 N CB 1.083 39.635 38.487 0.108 0.000 1.061 54 N HN 0.527 nan 8.380 nan 0.000 0.434 55 V N -2.771 116.961 119.914 -0.304 0.000 3.028 55 V HA 0.708 4.828 4.120 -0.000 0.000 0.418 55 V C 0.170 176.077 176.094 -0.312 0.000 1.433 55 V CA -0.421 61.489 62.300 -0.650 0.000 1.543 55 V CB 0.567 32.352 31.823 -0.063 0.000 1.329 55 V HN 0.195 nan 8.190 nan 0.000 0.646 56 G N -0.194 108.464 108.800 -0.238 0.000 3.255 56 G HA2 0.262 4.222 3.960 -0.000 0.000 0.161 56 G HA3 0.262 4.222 3.960 -0.000 0.000 0.161 56 G C 0.784 175.742 174.900 0.097 0.000 1.173 56 G CA 0.648 45.802 45.100 0.090 0.000 1.106 56 G HN 0.298 nan 8.290 nan 0.000 0.650 57 c N 0.191 118.849 118.600 0.097 0.000 2.393 57 c HA -0.003 4.567 4.570 -0.000 0.000 0.276 57 c C 2.842 176.920 174.090 -0.020 0.000 1.215 57 c CA 1.112 57.486 56.329 0.075 0.000 1.743 57 c CB -1.509 41.039 42.510 0.063 0.000 2.044 57 c HN 0.294 nan 8.230 nan 0.000 0.464 58 V N 3.038 122.917 119.914 -0.058 0.000 2.223 58 V HA -0.150 3.970 4.120 -0.000 0.000 0.244 58 V C 0.327 176.344 176.094 -0.128 0.000 1.045 58 V CA 2.765 65.000 62.300 -0.108 0.000 1.000 58 V CB -2.038 29.714 31.823 -0.119 0.000 0.635 58 V HN 0.399 nan 8.190 nan 0.000 0.445 59 P HA -0.178 nan 4.420 nan 0.000 0.221 59 P C 1.358 178.684 177.300 0.044 0.000 1.150 59 P CA 1.714 64.740 63.100 -0.124 0.000 0.800 59 P CB -0.033 31.484 31.700 -0.305 0.000 0.787 60 K N 0.974 121.455 120.400 0.135 0.000 2.103 60 K HA -0.133 4.186 4.320 -0.000 0.000 0.204 60 K C 2.180 178.681 176.600 -0.165 0.000 1.052 60 K CA 1.497 57.799 56.287 0.024 0.000 0.945 60 K CB -0.790 31.733 32.500 0.038 0.000 0.722 60 K HN -0.138 nan 8.250 nan 0.000 0.443 61 K N 1.290 121.565 120.400 -0.209 0.000 2.057 61 K HA 0.029 4.349 4.320 -0.000 0.000 0.207 61 K C 1.890 178.334 176.600 -0.261 0.000 1.049 61 K CA 1.466 57.525 56.287 -0.381 0.000 0.931 61 K CB -0.454 31.764 32.500 -0.469 0.000 0.714 61 K HN 0.301 nan 8.250 nan 0.000 0.440 62 L N -0.078 121.035 121.223 -0.183 0.000 2.079 62 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 62 L C 2.529 179.327 176.870 -0.121 0.000 1.081 62 L CA 1.551 56.309 54.840 -0.137 0.000 0.752 62 L CB -0.356 41.626 42.059 -0.129 0.000 0.896 62 L HN 0.282 nan 8.230 nan 0.000 0.433 63 M N -1.422 118.083 119.600 -0.160 0.000 2.254 63 M HA -0.133 4.347 4.480 -0.000 0.000 0.265 63 M C 2.204 178.440 176.300 -0.107 0.000 1.066 63 M CA 1.001 56.190 55.300 -0.186 0.000 1.123 63 M CB -0.105 32.316 32.600 -0.299 0.000 1.388 63 M HN 0.048 nan 8.290 nan 0.000 0.425 64 V N -0.126 119.698 119.914 -0.151 0.000 2.323 64 V HA -0.215 3.905 4.120 -0.000 0.000 0.244 64 V C 2.280 178.339 176.094 -0.058 0.000 1.041 64 V CA 2.130 64.368 62.300 -0.103 0.000 1.025 64 V CB -0.967 30.791 31.823 -0.108 0.000 0.656 64 V HN 0.463 nan 8.190 nan 0.000 0.451 65 T N 0.534 115.035 114.554 -0.088 0.000 2.699 65 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 65 T C 1.907 176.618 174.700 0.018 0.000 1.036 65 T CA 1.763 63.820 62.100 -0.072 0.000 1.147 65 T CB -0.774 68.069 68.868 -0.043 0.000 0.862 65 T HN 0.636 nan 8.240 nan 0.000 0.446 66 G N 1.204 110.099 108.800 0.159 0.000 2.459 66 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.217 66 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.217 66 G C 1.865 177.004 174.900 0.398 0.000 1.183 66 G CA 1.039 46.386 45.100 0.411 0.000 0.776 66 G HN 0.609 nan 8.290 nan 0.000 0.552 67 A N 0.258 123.272 122.820 0.323 0.000 1.940 67 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 67 A C 2.318 179.890 177.584 -0.020 0.000 1.176 67 A CA 2.092 54.225 52.037 0.159 0.000 0.631 67 A CB -0.469 18.610 19.000 0.131 0.000 0.814 67 A HN 0.475 nan 8.150 nan 0.000 0.446 68 Q N -1.857 117.873 119.800 -0.117 0.000 2.291 68 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 68 Q C 1.583 177.371 176.000 -0.354 0.000 0.976 68 Q CA 1.460 57.092 55.803 -0.284 0.000 0.875 68 Q CB -0.295 28.228 28.738 -0.360 0.000 0.927 68 Q HN 0.856 nan 8.270 nan 0.000 0.450 69 Y N -0.132 120.170 120.300 0.003 0.000 2.333 69 Y HA -0.213 4.337 4.550 -0.000 0.000 0.290 69 Y C 2.159 178.059 175.900 -0.000 0.000 1.144 69 Y CA 1.102 59.235 58.100 0.056 0.000 1.228 69 Y CB -0.302 38.177 38.460 0.032 0.000 0.985 69 Y HN 0.190 nan 8.280 nan 0.000 0.542 70 M N 0.045 119.674 119.600 0.048 0.000 2.106 70 M HA -0.285 4.194 4.480 -0.000 0.000 0.259 70 M C 1.161 177.487 176.300 0.044 0.000 1.068 70 M CA 2.227 57.540 55.300 0.022 0.000 1.100 70 M CB -0.085 32.495 32.600 -0.033 0.000 1.351 70 M HN 0.131 nan 8.290 nan 0.000 0.404 71 D N -0.791 119.593 120.400 -0.028 0.000 2.091 71 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 71 D C 1.682 178.000 176.300 0.029 0.000 0.980 71 D CA 1.558 55.542 54.000 -0.026 0.000 0.831 71 D CB -0.740 39.989 40.800 -0.119 0.000 0.987 71 D HN 0.562 nan 8.370 nan 0.000 0.460 72 H N 0.121 119.227 119.070 0.060 0.000 2.321 72 H HA -0.114 4.442 4.556 -0.000 0.000 0.295 72 H C 2.154 177.566 175.328 0.139 0.000 1.102 72 H CA 0.909 57.002 56.048 0.075 0.000 1.266 72 H CB -0.072 29.713 29.762 0.038 0.000 1.363 72 H HN 0.079 nan 8.280 nan 0.000 0.492 73 L N -0.129 121.270 121.223 0.293 0.000 2.056 73 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 73 L C 2.740 179.826 176.870 0.361 0.000 1.078 73 L CA 1.132 56.183 54.840 0.351 0.000 0.749 73 L CB -0.301 41.957 42.059 0.332 0.000 0.901 73 L HN 0.231 nan 8.230 nan 0.000 0.433 74 R N 0.503 121.146 120.500 0.239 0.000 2.075 74 R HA -0.166 4.174 4.340 -0.000 0.000 0.232 74 R C 2.045 178.465 176.300 0.199 0.000 1.126 74 R CA 1.496 57.702 56.100 0.176 0.000 0.963 74 R CB -0.025 30.356 30.300 0.135 0.000 0.858 74 R HN 0.367 nan 8.270 nan 0.000 0.435 75 E N 0.083 120.423 120.200 0.234 0.000 2.268 75 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 75 E C 1.878 178.714 176.600 0.394 0.000 0.995 75 E CA 1.205 57.778 56.400 0.290 0.000 0.836 75 E CB 0.103 29.984 29.700 0.302 0.000 0.763 75 E HN 0.453 nan 8.360 nan 0.000 0.491 76 S N 0.916 116.838 115.700 0.371 0.000 2.419 76 S HA -0.153 4.316 4.470 -0.000 0.000 0.235 76 S C 2.197 177.130 174.600 0.556 0.000 1.019 76 S CA 0.890 59.361 58.200 0.452 0.000 0.982 76 S CB -0.161 63.237 63.200 0.330 0.000 0.789 76 S HN 0.275 nan 8.310 nan 0.000 0.490 77 A N 1.810 124.841 122.820 0.352 0.000 1.972 77 A HA 0.212 4.532 4.320 -0.000 0.000 0.219 77 A C 2.383 180.060 177.584 0.155 0.000 1.169 77 A CA 1.426 53.592 52.037 0.214 0.000 0.635 77 A CB -1.708 17.337 19.000 0.075 0.000 0.810 77 A HN 0.691 nan 8.150 nan 0.000 0.446 78 G N -1.840 107.042 108.800 0.136 0.000 2.470 78 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.220 78 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.220 78 G C 0.926 175.657 174.900 -0.282 0.000 1.121 78 G CA 0.837 45.878 45.100 -0.097 0.000 0.766 78 G HN 0.487 nan 8.290 nan 0.000 0.553 79 F N -0.150 119.897 119.950 0.160 0.000 2.639 79 F HA 0.398 4.924 4.527 -0.000 0.000 0.302 79 F C 1.806 177.642 175.800 0.060 0.000 1.097 79 F CA 0.248 58.343 58.000 0.158 0.000 1.294 79 F CB 0.921 40.085 39.000 0.274 0.000 1.027 79 F HN 0.203 nan 8.300 nan 0.000 0.550 80 G N -1.036 107.840 108.800 0.127 0.000 2.179 80 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 80 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 80 G C -0.121 174.693 174.900 -0.144 0.000 0.990 80 G CA -0.774 44.288 45.100 -0.064 0.000 0.646 80 G HN 0.213 nan 8.290 nan 0.000 0.517 81 W N 1.507 122.901 121.300 0.157 0.000 2.251 81 W HA 0.577 5.237 4.660 -0.000 0.000 0.327 81 W C 0.728 177.330 176.519 0.137 0.000 1.361 81 W CA 0.060 57.518 57.345 0.190 0.000 1.234 81 W CB 0.479 30.099 29.460 0.266 0.000 1.212 81 W HN 0.146 nan 8.180 nan 0.000 0.557 82 E N 3.633 124.031 120.200 0.330 0.000 2.241 82 E HA 0.497 4.847 4.350 -0.000 0.000 0.263 82 E C -1.011 175.751 176.600 0.270 0.000 0.882 82 E CA -0.854 55.627 56.400 0.135 0.000 0.769 82 E CB 1.409 31.142 29.700 0.055 0.000 1.185 82 E HN 0.315 nan 8.360 nan 0.000 0.415 83 F N -0.506 119.520 119.950 0.126 0.000 2.773 83 F HA 0.371 4.898 4.527 -0.000 0.000 0.314 83 F C -1.043 174.803 175.800 0.077 0.000 1.160 83 F CA -1.427 56.636 58.000 0.104 0.000 0.920 83 F CB 0.824 39.897 39.000 0.122 0.000 1.323 83 F HN 0.118 nan 8.300 nan 0.000 0.457 84 D N 1.314 121.881 120.400 0.278 0.000 2.383 84 D HA 0.252 4.892 4.640 -0.000 0.000 0.245 84 D C 1.341 177.742 176.300 0.168 0.000 1.263 84 D CA 0.530 54.614 54.000 0.139 0.000 0.936 84 D CB 1.013 41.898 40.800 0.141 0.000 1.053 84 D HN 0.875 nan 8.370 nan 0.000 0.507 85 G N 2.321 111.098 108.800 -0.037 0.000 2.498 85 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 85 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 85 G C 1.404 176.352 174.900 0.081 0.000 1.119 85 G CA 0.909 46.009 45.100 -0.000 0.000 0.766 85 G HN 0.542 nan 8.290 nan 0.000 0.552 86 S N 0.625 116.363 115.700 0.064 0.000 2.527 86 S HA -0.013 4.457 4.470 -0.000 0.000 0.222 86 S C 2.197 176.845 174.600 0.080 0.000 0.985 86 S CA 1.136 59.373 58.200 0.061 0.000 0.921 86 S CB -0.209 63.015 63.200 0.041 0.000 0.772 86 S HN 0.440 nan 8.310 nan 0.000 0.529 87 S N 0.536 116.302 115.700 0.111 0.000 2.593 87 S HA 0.241 4.711 4.470 -0.000 0.000 0.217 87 S C 0.414 175.075 174.600 0.102 0.000 0.966 87 S CA -0.333 57.928 58.200 0.101 0.000 0.914 87 S CB -0.467 62.798 63.200 0.108 0.000 0.776 87 S HN 0.279 nan 8.310 nan 0.000 0.523 88 V N 3.293 123.285 119.914 0.130 0.000 2.470 88 V HA 0.330 4.449 4.120 -0.000 0.000 0.276 88 V C 0.144 176.284 176.094 0.076 0.000 1.040 88 V CA -0.120 62.251 62.300 0.118 0.000 1.008 88 V CB 0.350 32.280 31.823 0.178 0.000 0.990 88 V HN 0.615 nan 8.190 nan 0.000 0.477 89 K N 4.664 125.099 120.400 0.057 0.000 2.422 89 K HA 0.830 5.150 4.320 -0.000 0.000 0.251 89 K C -0.779 175.854 176.600 0.055 0.000 0.933 89 K CA -0.715 55.607 56.287 0.059 0.000 0.798 89 K CB 2.154 34.694 32.500 0.067 0.000 1.238 89 K HN 0.595 nan 8.250 nan 0.000 0.428 90 A N 3.384 126.242 122.820 0.063 0.000 2.366 90 A HA 0.207 4.527 4.320 -0.000 0.000 0.322 90 A C -0.636 177.131 177.584 0.304 0.000 1.397 90 A CA -0.724 51.358 52.037 0.075 0.000 0.984 90 A CB -0.120 18.806 19.000 -0.124 0.000 1.149 90 A HN 0.758 nan 8.150 nan 0.000 0.540 91 N N 3.457 122.340 118.700 0.305 0.000 2.555 91 N HA -0.037 4.703 4.740 -0.000 0.000 0.244 91 N C 0.874 176.607 175.510 0.372 0.000 1.114 91 N CA -0.496 52.732 53.050 0.297 0.000 0.963 91 N CB 0.119 38.705 38.487 0.165 0.000 1.276 91 N HN 0.890 nan 8.380 nan 0.000 0.510 92 W N 4.825 126.253 121.300 0.214 0.000 2.363 92 W HA -0.158 4.501 4.660 -0.000 0.000 0.296 92 W C 0.762 177.271 176.519 -0.016 0.000 1.212 92 W CA 1.001 58.362 57.345 0.027 0.000 1.260 92 W CB 0.266 29.772 29.460 0.077 0.000 1.131 92 W HN 0.471 nan 8.180 nan 0.000 0.530 93 K N 0.505 121.008 120.400 0.171 0.000 2.063 93 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 93 K C 2.012 178.575 176.600 -0.063 0.000 1.048 93 K CA 2.110 58.422 56.287 0.042 0.000 0.928 93 K CB -0.372 32.205 32.500 0.129 0.000 0.713 93 K HN -0.133 nan 8.250 nan 0.000 0.442 94 K N 1.381 121.771 120.400 -0.017 0.000 2.057 94 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 94 K C 1.924 178.452 176.600 -0.120 0.000 1.049 94 K CA 1.053 57.317 56.287 -0.038 0.000 0.931 94 K CB -0.358 32.147 32.500 0.009 0.000 0.714 94 K HN 0.057 nan 8.250 nan 0.000 0.440 95 L N 0.565 121.669 121.223 -0.199 0.000 2.017 95 L HA -0.096 4.243 4.340 -0.000 0.000 0.208 95 L C 1.905 178.536 176.870 -0.399 0.000 1.073 95 L CA 1.634 56.284 54.840 -0.317 0.000 0.745 95 L CB -0.481 41.245 42.059 -0.555 0.000 0.894 95 L HN 0.217 nan 8.230 nan 0.000 0.432 96 I N 0.323 120.567 120.570 -0.544 0.000 2.208 96 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 96 I C 2.703 178.690 176.117 -0.216 0.000 1.097 96 I CA 1.497 62.529 61.300 -0.446 0.000 1.363 96 I CB -1.946 35.769 38.000 -0.475 0.000 1.051 96 I HN 0.412 nan 8.210 nan 0.000 0.413 97 A N 0.996 123.726 122.820 -0.150 0.000 1.877 97 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 97 A C 2.600 180.138 177.584 -0.075 0.000 1.186 97 A CA 2.078 54.076 52.037 -0.066 0.000 0.620 97 A CB -0.781 18.196 19.000 -0.039 0.000 0.822 97 A HN 0.424 nan 8.150 nan 0.000 0.443 98 A N -0.289 122.468 122.820 -0.104 0.000 1.873 98 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 98 A C 2.183 179.694 177.584 -0.123 0.000 1.186 98 A CA 1.925 53.904 52.037 -0.097 0.000 0.616 98 A CB -0.452 18.493 19.000 -0.093 0.000 0.823 98 A HN 0.418 nan 8.150 nan 0.000 0.442 99 K N 0.259 120.559 120.400 -0.166 0.000 2.032 99 K HA -0.222 4.097 4.320 -0.000 0.000 0.209 99 K C 1.577 178.051 176.600 -0.210 0.000 1.048 99 K CA 1.931 58.103 56.287 -0.193 0.000 0.927 99 K CB -0.529 31.835 32.500 -0.228 0.000 0.712 99 K HN 0.433 nan 8.250 nan 0.000 0.441 100 N N 1.520 120.124 118.700 -0.160 0.000 2.094 100 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 100 N C 1.770 177.228 175.510 -0.087 0.000 1.023 100 N CA 1.722 54.704 53.050 -0.113 0.000 0.857 100 N CB -0.324 38.245 38.487 0.136 0.000 1.013 100 N HN 0.543 nan 8.380 nan 0.000 0.426 101 E N 0.559 120.725 120.200 -0.057 0.000 2.072 101 E HA -0.032 4.317 4.350 -0.000 0.000 0.190 101 E C 1.872 178.425 176.600 -0.078 0.000 0.982 101 E CA 0.911 57.290 56.400 -0.035 0.000 0.803 101 E CB -0.072 29.608 29.700 -0.033 0.000 0.755 101 E HN 0.271 nan 8.360 nan 0.000 0.453 102 A N 0.937 123.687 122.820 -0.116 0.000 1.865 102 A HA -0.160 4.159 4.320 -0.000 0.000 0.217 102 A C 2.454 179.936 177.584 -0.171 0.000 1.191 102 A CA 1.754 53.711 52.037 -0.134 0.000 0.623 102 A CB -0.899 18.016 19.000 -0.141 0.000 0.826 102 A HN 0.237 nan 8.150 nan 0.000 0.444 103 V N -0.395 119.373 119.914 -0.244 0.000 2.307 103 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 103 V C 2.494 178.474 176.094 -0.189 0.000 1.045 103 V CA 1.907 64.027 62.300 -0.301 0.000 1.024 103 V CB -0.786 30.712 31.823 -0.542 0.000 0.651 103 V HN 0.583 nan 8.190 nan 0.000 0.449 104 L N 0.448 121.612 121.223 -0.099 0.000 2.079 104 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 104 L C 2.032 178.885 176.870 -0.027 0.000 1.081 104 L CA 2.086 56.976 54.840 0.084 0.000 0.752 104 L CB -0.922 41.231 42.059 0.157 0.000 0.896 104 L HN 0.312 nan 8.230 nan 0.000 0.433 105 D N -0.436 119.922 120.400 -0.070 0.000 2.117 105 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 105 D C 2.313 178.532 176.300 -0.136 0.000 0.987 105 D CA 1.735 55.686 54.000 -0.083 0.000 0.829 105 D CB -0.119 40.633 40.800 -0.080 0.000 0.961 105 D HN 0.441 nan 8.370 nan 0.000 0.460 106 I N 1.136 121.581 120.570 -0.209 0.000 2.179 106 I HA -0.271 3.898 4.170 -0.000 0.000 0.242 106 I C 2.042 177.873 176.117 -0.476 0.000 1.088 106 I CA 0.782 61.851 61.300 -0.385 0.000 1.357 106 I CB -0.367 37.363 38.000 -0.451 0.000 1.051 106 I HN -0.026 nan 8.210 nan 0.000 0.409 107 N N 1.602 120.134 118.700 -0.281 0.000 2.037 107 N HA -0.227 4.513 4.740 -0.000 0.000 0.196 107 N C 1.771 177.233 175.510 -0.081 0.000 1.034 107 N CA 1.668 54.626 53.050 -0.153 0.000 0.861 107 N CB -0.398 38.073 38.487 -0.026 0.000 1.039 107 N HN 0.454 nan 8.380 nan 0.000 0.427 108 K N 0.730 121.093 120.400 -0.062 0.000 2.026 108 K HA -0.070 4.249 4.320 -0.000 0.000 0.208 108 K C 2.394 179.000 176.600 0.010 0.000 1.048 108 K CA 1.594 57.869 56.287 -0.020 0.000 0.929 108 K CB -0.268 32.221 32.500 -0.019 0.000 0.713 108 K HN 0.261 nan 8.250 nan 0.000 0.439 109 S N 0.409 116.100 115.700 -0.015 0.000 2.382 109 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 109 S C 1.952 176.660 174.600 0.180 0.000 1.027 109 S CA 0.865 59.091 58.200 0.043 0.000 0.991 109 S CB -0.472 62.729 63.200 0.002 0.000 0.823 109 S HN 0.199 nan 8.310 nan 0.000 0.469 110 Y N 2.247 122.524 120.300 -0.038 0.000 2.293 110 Y HA 0.090 4.639 4.550 -0.000 0.000 0.291 110 Y C 2.670 178.600 175.900 0.050 0.000 1.137 110 Y CA 0.583 58.663 58.100 -0.034 0.000 1.202 110 Y CB -1.007 37.435 38.460 -0.030 0.000 0.990 110 Y HN 0.595 nan 8.280 nan 0.000 0.537 111 E N -0.311 120.009 120.200 0.199 0.000 2.072 111 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 111 E C 2.530 179.222 176.600 0.154 0.000 0.985 111 E CA 1.069 57.551 56.400 0.137 0.000 0.801 111 E CB -0.500 29.210 29.700 0.016 0.000 0.750 111 E HN 0.391 nan 8.360 nan 0.000 0.452 112 G N 1.080 109.947 108.800 0.111 0.000 2.440 112 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 112 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 112 G C 1.558 176.522 174.900 0.107 0.000 1.154 112 G CA 1.181 46.337 45.100 0.092 0.000 0.767 112 G HN 0.219 nan 8.290 nan 0.000 0.552 113 M N -0.552 119.110 119.600 0.102 0.000 2.086 113 M HA 0.090 4.570 4.480 -0.000 0.000 0.261 113 M C 2.269 178.597 176.300 0.047 0.000 1.067 113 M CA 1.128 56.474 55.300 0.076 0.000 1.116 113 M CB -0.376 32.222 32.600 -0.002 0.000 1.348 113 M HN 0.212 nan 8.290 nan 0.000 0.407 114 F N 0.999 120.993 119.950 0.074 0.000 2.091 114 F HA -0.305 4.222 4.527 -0.000 0.000 0.299 114 F C 2.307 178.129 175.800 0.037 0.000 1.103 114 F CA 1.580 59.612 58.000 0.052 0.000 1.228 114 F CB -0.943 38.065 39.000 0.015 0.000 0.984 114 F HN 0.238 nan 8.300 nan 0.000 0.477 115 N N -0.094 118.741 118.700 0.225 0.000 2.223 115 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 115 N C 1.056 176.619 175.510 0.088 0.000 1.016 115 N CA 1.529 54.657 53.050 0.130 0.000 0.863 115 N CB -0.467 38.077 38.487 0.094 0.000 0.983 115 N HN 0.311 nan 8.380 nan 0.000 0.429 116 D N -0.496 119.952 120.400 0.079 0.000 2.349 116 D HA 0.073 4.713 4.640 -0.000 0.000 0.214 116 D C -0.181 176.127 176.300 0.013 0.000 1.063 116 D CA 0.394 54.422 54.000 0.047 0.000 0.847 116 D CB 0.342 41.176 40.800 0.056 0.000 0.933 116 D HN 0.033 nan 8.370 nan 0.000 0.513 117 T N 1.108 115.661 114.554 -0.002 0.000 2.770 117 T HA 0.259 4.609 4.350 -0.000 0.000 0.283 117 T C 0.198 174.850 174.700 -0.081 0.000 0.988 117 T CA -0.641 61.393 62.100 -0.109 0.000 0.957 117 T CB 2.080 70.811 68.868 -0.227 0.000 0.930 117 T HN -0.097 nan 8.240 nan 0.000 0.443 118 E N 1.317 121.455 120.200 -0.103 0.000 2.392 118 E HA 0.371 4.721 4.350 -0.000 0.000 0.264 118 E C 1.157 177.720 176.600 -0.062 0.000 1.024 118 E CA 0.308 56.672 56.400 -0.061 0.000 0.903 118 E CB 0.421 30.078 29.700 -0.072 0.000 0.963 118 E HN 0.989 nan 8.360 nan 0.000 0.432 119 G N 2.490 111.297 108.800 0.011 0.000 2.160 119 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.251 119 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.251 119 G C -0.328 174.632 174.900 0.101 0.000 1.008 119 G CA 0.262 45.395 45.100 0.054 0.000 0.724 119 G HN 0.318 nan 8.290 nan 0.000 0.514 120 L N 1.150 122.448 121.223 0.124 0.000 2.485 120 L HA 0.532 4.872 4.340 -0.000 0.000 0.260 120 L C -0.973 176.107 176.870 0.350 0.000 0.998 120 L CA -1.001 53.959 54.840 0.199 0.000 0.883 120 L CB 1.202 43.293 42.059 0.054 0.000 1.196 120 L HN 0.135 nan 8.230 nan 0.000 0.443 121 D N 3.422 123.992 120.400 0.284 0.000 2.185 121 D HA 0.285 4.925 4.640 -0.000 0.000 0.247 121 D C -1.095 175.064 176.300 -0.235 0.000 1.027 121 D CA -0.222 53.804 54.000 0.043 0.000 0.861 121 D CB 2.388 43.123 40.800 -0.107 0.000 1.202 121 D HN 0.253 nan 8.370 nan 0.000 0.453 122 F N 1.861 121.316 119.950 -0.824 0.000 2.397 122 F HA 0.515 5.042 4.527 -0.000 0.000 0.331 122 F C -1.291 173.952 175.800 -0.928 0.000 1.090 122 F CA -0.757 56.605 58.000 -1.064 0.000 1.065 122 F CB 0.684 38.833 39.000 -1.418 0.000 1.184 122 F HN 0.143 nan 8.300 nan 0.000 0.499 123 F N 6.144 125.267 119.950 -1.378 0.000 2.562 123 F HA 0.409 4.935 4.527 -0.000 0.000 0.319 123 F C -1.063 173.987 175.800 -1.249 0.000 1.154 123 F CA -0.901 56.527 58.000 -0.954 0.000 0.931 123 F CB 1.629 40.323 39.000 -0.510 0.000 1.198 123 F HN 0.313 nan 8.300 nan 0.000 0.444 124 L N 3.686 124.516 121.223 -0.655 0.000 2.305 124 L HA 0.893 5.233 4.340 -0.000 0.000 0.281 124 L C 0.204 176.979 176.870 -0.160 0.000 1.085 124 L CA 0.612 55.240 54.840 -0.353 0.000 0.813 124 L CB 0.473 42.498 42.059 -0.055 0.000 1.157 124 L HN 0.817 nan 8.230 nan 0.000 0.436 125 G N 3.035 111.727 108.800 -0.180 0.000 2.316 125 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.349 125 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.349 125 G C -1.910 172.838 174.900 -0.253 0.000 1.274 125 G CA -0.552 44.488 45.100 -0.100 0.000 1.018 125 G HN 0.564 nan 8.290 nan 0.000 0.486 126 W N 1.214 122.455 121.300 -0.098 0.000 2.314 126 W HA 0.590 5.250 4.660 -0.000 0.000 0.310 126 W C 0.779 177.235 176.519 -0.105 0.000 1.075 126 W CA 0.248 57.519 57.345 -0.123 0.000 1.253 126 W CB 1.569 30.936 29.460 -0.155 0.000 1.238 126 W HN 0.958 nan 8.180 nan 0.000 0.440 127 G N 2.347 111.161 108.800 0.025 0.000 2.370 127 G HA2 0.508 4.468 3.960 -0.000 0.000 0.272 127 G HA3 0.508 4.468 3.960 -0.000 0.000 0.272 127 G C -0.390 174.530 174.900 0.033 0.000 1.208 127 G CA -0.360 44.738 45.100 -0.003 0.000 0.856 127 G HN 0.413 nan 8.290 nan 0.000 0.500 128 S N 1.005 116.713 115.700 0.013 0.000 2.618 128 S HA 0.601 5.071 4.470 -0.000 0.000 0.277 128 S C -1.044 173.551 174.600 -0.008 0.000 1.138 128 S CA -0.974 57.232 58.200 0.009 0.000 0.844 128 S CB 1.745 64.950 63.200 0.009 0.000 1.127 128 S HN 0.318 nan 8.310 nan 0.000 0.474 129 L N 2.273 123.491 121.223 -0.008 0.000 2.295 129 L HA 0.431 4.771 4.340 -0.000 0.000 0.288 129 L C 1.524 178.384 176.870 -0.018 0.000 1.079 129 L CA 0.317 55.148 54.840 -0.015 0.000 0.830 129 L CB 0.209 42.260 42.059 -0.013 0.000 1.200 129 L HN 1.029 nan 8.230 nan 0.000 0.438 130 E N 1.646 121.833 120.200 -0.022 0.000 2.033 130 E HA -0.035 4.315 4.350 -0.000 0.000 0.189 130 E C 0.381 176.968 176.600 -0.022 0.000 0.979 130 E CA 0.992 57.379 56.400 -0.022 0.000 0.802 130 E CB 0.495 30.181 29.700 -0.024 0.000 0.763 130 E HN 0.725 nan 8.360 nan 0.000 0.449 131 S N -1.415 114.270 115.700 -0.023 0.000 2.903 131 S HA 0.217 4.687 4.470 -0.000 0.000 0.314 131 S C 0.527 175.109 174.600 -0.030 0.000 1.177 131 S CA -0.586 57.599 58.200 -0.025 0.000 0.859 131 S CB 1.061 64.247 63.200 -0.023 0.000 1.265 131 S HN 0.157 nan 8.310 nan 0.000 0.584 132 K N 0.387 120.767 120.400 -0.034 0.000 2.280 132 K HA 0.015 4.335 4.320 -0.000 0.000 0.202 132 K C 0.184 176.754 176.600 -0.050 0.000 1.047 132 K CA 1.767 58.027 56.287 -0.045 0.000 0.942 132 K CB -0.416 32.056 32.500 -0.047 0.000 0.739 132 K HN 0.614 nan 8.250 nan 0.000 0.457 133 N N -0.471 118.206 118.700 -0.038 0.000 2.232 133 N HA 0.139 4.878 4.740 -0.000 0.000 0.240 133 N C -1.901 173.599 175.510 -0.016 0.000 1.307 133 N CA -0.360 52.670 53.050 -0.032 0.000 0.859 133 N CB 2.045 40.510 38.487 -0.037 0.000 1.260 133 N HN -0.153 nan 8.380 nan 0.000 0.501 134 V N 1.085 120.988 119.914 -0.019 0.000 2.577 134 V HA 0.456 4.575 4.120 -0.000 0.000 0.303 134 V C -0.571 175.508 176.094 -0.025 0.000 1.042 134 V CA -0.846 61.443 62.300 -0.019 0.000 0.872 134 V CB 2.267 34.077 31.823 -0.022 0.000 0.998 134 V HN -0.237 nan 8.190 nan 0.000 0.423 135 V N 5.430 125.324 119.914 -0.035 0.000 2.384 135 V HA 0.431 4.551 4.120 -0.000 0.000 0.287 135 V C -0.085 175.965 176.094 -0.073 0.000 1.020 135 V CA -0.579 61.692 62.300 -0.049 0.000 0.850 135 V CB 1.940 33.729 31.823 -0.056 0.000 0.987 135 V HN 0.636 nan 8.190 nan 0.000 0.436 136 V N 6.048 125.929 119.914 -0.055 0.000 2.465 136 V HA 0.365 4.485 4.120 -0.000 0.000 0.279 136 V C 0.063 176.123 176.094 -0.055 0.000 1.045 136 V CA -0.458 61.809 62.300 -0.056 0.000 0.938 136 V CB 1.717 33.520 31.823 -0.034 0.000 0.986 136 V HN 0.584 nan 8.190 nan 0.000 0.467 137 V N 6.862 126.730 119.914 -0.076 0.000 2.347 137 V HA 0.498 4.618 4.120 -0.000 0.000 0.280 137 V C 0.343 176.435 176.094 -0.003 0.000 1.021 137 V CA -0.535 61.732 62.300 -0.054 0.000 0.847 137 V CB 1.191 32.943 31.823 -0.119 0.000 0.990 137 V HN 0.846 nan 8.190 nan 0.000 0.444 138 R N 2.564 123.098 120.500 0.056 0.000 2.893 138 R HA 0.492 4.832 4.340 -0.000 0.000 0.245 138 R C 0.603 176.984 176.300 0.135 0.000 1.192 138 R CA -0.913 55.226 56.100 0.065 0.000 1.077 138 R CB 1.275 31.595 30.300 0.033 0.000 1.253 138 R HN 0.510 nan 8.270 nan 0.000 0.505 139 E N 0.541 120.798 120.200 0.096 0.000 2.107 139 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 139 E C 0.796 177.509 176.600 0.188 0.000 0.982 139 E CA 1.409 57.889 56.400 0.135 0.000 0.809 139 E CB 0.192 29.935 29.700 0.071 0.000 0.756 139 E HN 0.681 nan 8.360 nan 0.000 0.459 140 T N -4.433 110.093 114.554 -0.046 0.000 2.804 140 T HA 0.604 4.954 4.350 -0.000 0.000 0.290 140 T C 0.969 175.102 174.700 -0.945 0.000 1.099 140 T CA -0.152 61.649 62.100 -0.499 0.000 1.011 140 T CB 1.580 70.251 68.868 -0.329 0.000 1.291 140 T HN -0.112 nan 8.240 nan 0.000 0.523 141 A N 0.005 121.853 122.820 -1.620 0.000 2.125 141 A HA 0.082 4.402 4.320 -0.000 0.000 0.219 141 A C 1.043 178.309 177.584 -0.530 0.000 1.156 141 A CA 1.023 52.324 52.037 -1.227 0.000 0.671 141 A CB -1.008 17.160 19.000 -1.387 0.000 0.794 141 A HN 0.832 nan 8.150 nan 0.000 0.459 142 D N 0.277 120.432 120.400 -0.408 0.000 2.346 142 D HA 0.120 4.760 4.640 -0.000 0.000 0.260 142 D C -1.510 174.695 176.300 -0.159 0.000 1.252 142 D CA -1.960 51.903 54.000 -0.228 0.000 0.895 142 D CB 1.031 41.727 40.800 -0.174 0.000 1.097 142 D HN 0.150 nan 8.370 nan 0.000 0.489 143 P HA -0.144 nan 4.420 nan 0.000 0.234 143 P C 0.691 177.956 177.300 -0.059 0.000 1.162 143 P CA 0.698 63.754 63.100 -0.075 0.000 0.759 143 P CB 0.267 31.931 31.700 -0.061 0.000 0.813 144 K N 0.439 120.799 120.400 -0.066 0.000 2.374 144 K HA 0.088 4.407 4.320 -0.000 0.000 0.202 144 K C 0.342 176.914 176.600 -0.045 0.000 1.040 144 K CA 0.012 56.270 56.287 -0.048 0.000 1.085 144 K CB 0.397 32.870 32.500 -0.045 0.000 0.873 144 K HN 0.081 nan 8.250 nan 0.000 0.539 145 S N 0.629 116.295 115.700 -0.056 0.000 2.624 145 S HA 0.530 4.999 4.470 -0.000 0.000 0.263 145 S C 0.402 174.989 174.600 -0.022 0.000 1.287 145 S CA -0.409 57.764 58.200 -0.045 0.000 0.990 145 S CB 1.045 64.205 63.200 -0.067 0.000 0.950 145 S HN 0.319 nan 8.310 nan 0.000 0.561 146 A N 1.308 124.122 122.820 -0.009 0.000 2.584 146 A HA 0.338 4.657 4.320 -0.000 0.000 0.239 146 A C 0.347 177.934 177.584 0.005 0.000 1.043 146 A CA -0.452 51.585 52.037 0.001 0.000 0.756 146 A CB -0.713 18.293 19.000 0.010 0.000 0.963 146 A HN 0.887 nan 8.150 nan 0.000 0.511 147 V N 4.183 124.096 119.914 -0.001 0.000 2.599 147 V HA 0.001 4.121 4.120 -0.000 0.000 0.300 147 V C 1.220 177.315 176.094 0.002 0.000 1.034 147 V CA 0.810 63.107 62.300 -0.004 0.000 1.115 147 V CB 0.746 32.562 31.823 -0.012 0.000 0.934 147 V HN 1.060 nan 8.190 nan 0.000 0.485 148 K N 2.196 122.596 120.400 0.001 0.000 2.350 148 K HA 0.275 4.595 4.320 -0.000 0.000 0.196 148 K C 0.086 176.678 176.600 -0.013 0.000 1.084 148 K CA 0.215 56.507 56.287 0.008 0.000 0.967 148 K CB 0.605 33.118 32.500 0.022 0.000 0.950 148 K HN 0.640 nan 8.250 nan 0.000 0.512 149 E N 0.566 120.732 120.200 -0.057 0.000 2.390 149 E HA 0.285 4.635 4.350 -0.000 0.000 0.280 149 E C -1.252 175.272 176.600 -0.127 0.000 0.992 149 E CA -0.537 55.793 56.400 -0.116 0.000 0.790 149 E CB 2.147 31.687 29.700 -0.266 0.000 1.248 149 E HN 0.053 nan 8.360 nan 0.000 0.447 150 R N 1.675 122.104 120.500 -0.119 0.000 2.502 150 R HA 0.596 4.936 4.340 -0.000 0.000 0.300 150 R C -0.502 175.742 176.300 -0.094 0.000 0.984 150 R CA -0.649 55.397 56.100 -0.090 0.000 0.882 150 R CB 1.420 31.690 30.300 -0.050 0.000 1.180 150 R HN 0.295 nan 8.270 nan 0.000 0.444 151 L N 3.987 125.153 121.223 -0.095 0.000 2.343 151 L HA 0.338 4.678 4.340 -0.000 0.000 0.278 151 L C 0.157 177.038 176.870 0.019 0.000 0.996 151 L CA -0.922 53.890 54.840 -0.045 0.000 0.831 151 L CB 1.929 43.881 42.059 -0.179 0.000 1.232 151 L HN 0.499 nan 8.230 nan 0.000 0.413 152 Q N 2.771 122.611 119.800 0.068 0.000 2.235 152 Q HA 0.812 5.152 4.340 -0.000 0.000 0.250 152 Q C -0.853 175.214 176.000 0.111 0.000 0.909 152 Q CA -0.713 55.122 55.803 0.053 0.000 0.910 152 Q CB 2.670 31.421 28.738 0.023 0.000 1.223 152 Q HN 0.621 nan 8.270 nan 0.000 0.432 153 A N 2.295 125.162 122.820 0.077 0.000 2.488 153 A HA 0.350 4.670 4.320 -0.000 0.000 0.298 153 A C -0.559 177.049 177.584 0.040 0.000 1.044 153 A CA -0.732 51.376 52.037 0.118 0.000 0.693 153 A CB 1.487 20.567 19.000 0.133 0.000 1.272 153 A HN 0.725 nan 8.150 nan 0.000 0.402 154 D N 0.727 121.146 120.400 0.032 0.000 2.183 154 D HA 0.010 4.649 4.640 -0.000 0.000 0.203 154 D C 0.058 176.075 176.300 -0.471 0.000 0.969 154 D CA 1.682 55.558 54.000 -0.207 0.000 0.842 154 D CB 0.052 40.719 40.800 -0.222 0.000 0.957 154 D HN 0.628 nan 8.370 nan 0.000 0.484 155 H N -0.690 118.505 119.070 0.209 0.000 2.679 155 H HA 0.467 5.023 4.556 -0.000 0.000 0.360 155 H C -0.269 175.182 175.328 0.206 0.000 1.105 155 H CA -0.576 55.621 56.048 0.248 0.000 1.196 155 H CB 1.906 31.939 29.762 0.451 0.000 1.636 155 H HN -0.136 nan 8.280 nan 0.000 0.531 156 I N 3.426 124.117 120.570 0.203 0.000 2.433 156 I HA 0.119 4.288 4.170 -0.000 0.000 0.292 156 I C -0.638 175.606 176.117 0.211 0.000 1.001 156 I CA -0.887 60.504 61.300 0.151 0.000 1.119 156 I CB 2.139 40.163 38.000 0.041 0.000 1.289 156 I HN 0.158 nan 8.210 nan 0.000 0.438 157 L N 7.788 129.145 121.223 0.223 0.000 2.298 157 L HA 0.496 4.836 4.340 -0.000 0.000 0.284 157 L C -0.927 176.032 176.870 0.148 0.000 1.013 157 L CA -0.212 54.766 54.840 0.231 0.000 0.824 157 L CB 1.067 43.269 42.059 0.238 0.000 1.221 157 L HN 0.441 nan 8.230 nan 0.000 0.418 158 L N 6.258 127.560 121.223 0.132 0.000 2.283 158 L HA 0.615 4.955 4.340 -0.000 0.000 0.287 158 L C 0.383 177.316 176.870 0.105 0.000 1.073 158 L CA -0.209 54.688 54.840 0.096 0.000 0.822 158 L CB 1.071 43.176 42.059 0.078 0.000 1.186 158 L HN 0.880 nan 8.230 nan 0.000 0.436 159 A N 1.268 124.146 122.820 0.097 0.000 3.292 159 A HA 0.251 4.571 4.320 -0.000 0.000 0.231 159 A C 0.751 178.394 177.584 0.098 0.000 0.952 159 A CA -0.188 51.913 52.037 0.106 0.000 1.044 159 A CB -0.044 19.026 19.000 0.118 0.000 1.236 159 A HN 0.699 nan 8.150 nan 0.000 0.525 160 T N -3.435 111.172 114.554 0.088 0.000 3.060 160 T HA 0.467 4.816 4.350 -0.000 0.000 0.249 160 T C 1.382 176.150 174.700 0.113 0.000 1.079 160 T CA 1.112 63.258 62.100 0.077 0.000 1.013 160 T CB 0.067 68.966 68.868 0.052 0.000 0.975 160 T HN 2.102 nan 8.240 nan 0.000 0.518 161 G N 1.790 110.667 108.800 0.129 0.000 2.525 161 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.248 161 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.248 161 G C -0.045 174.968 174.900 0.189 0.000 1.238 161 G CA 0.105 45.302 45.100 0.161 0.000 0.926 161 G HN 1.531 nan 8.290 nan 0.000 0.574 162 S N -1.448 114.398 115.700 0.244 0.000 2.806 162 S HA 0.832 5.301 4.470 -0.000 0.000 0.306 162 S C -0.890 173.963 174.600 0.423 0.000 1.167 162 S CA 0.226 58.591 58.200 0.275 0.000 0.847 162 S CB 2.715 66.043 63.200 0.213 0.000 1.216 162 S HN 1.892 nan 8.310 nan 0.000 0.532 163 W N 0.413 121.774 121.300 0.102 0.000 3.248 163 W HA 0.408 5.068 4.660 -0.000 0.000 0.311 163 W C -3.476 173.091 176.519 0.079 0.000 1.258 163 W CA -2.166 55.239 57.345 0.101 0.000 1.191 163 W CB 1.622 31.145 29.460 0.106 0.000 1.389 163 W HN 0.472 nan 8.180 nan 0.000 0.561 164 P HA -0.011 nan 4.420 nan 0.000 0.271 164 P C -0.749 176.506 177.300 -0.075 0.000 1.226 164 P CA 0.605 63.544 63.100 -0.268 0.000 0.765 164 P CB 0.616 32.033 31.700 -0.471 0.000 0.835 165 Q N 3.764 123.566 119.800 0.003 0.000 2.286 165 Q HA 0.320 4.660 4.340 -0.000 0.000 0.257 165 Q C -0.921 175.089 176.000 0.018 0.000 0.941 165 Q CA -0.157 55.677 55.803 0.051 0.000 0.912 165 Q CB 0.384 29.158 28.738 0.059 0.000 1.192 165 Q HN 0.321 nan 8.270 nan 0.000 0.410 166 M N 6.125 125.748 119.600 0.037 0.000 2.181 166 M HA 0.396 4.875 4.480 -0.000 0.000 0.323 166 M C -2.287 174.026 176.300 0.022 0.000 1.004 166 M CA -2.345 52.965 55.300 0.015 0.000 0.941 166 M CB 1.087 33.699 32.600 0.020 0.000 1.579 166 M HN 0.576 nan 8.290 nan 0.000 0.427 167 P HA 0.186 nan 4.420 nan 0.000 0.269 167 P C -0.408 176.897 177.300 0.008 0.000 1.209 167 P CA -0.288 62.818 63.100 0.010 0.000 0.776 167 P CB 0.512 32.213 31.700 0.002 0.000 0.876 168 A N 4.307 127.134 122.820 0.011 0.000 3.026 168 A HA 0.359 4.679 4.320 -0.000 0.000 0.272 168 A C 0.804 178.390 177.584 0.002 0.000 1.782 168 A CA -0.526 51.517 52.037 0.010 0.000 1.451 168 A CB -1.645 17.363 19.000 0.013 0.000 1.081 168 A HN 0.579 nan 8.150 nan 0.000 0.611 169 I N -2.022 118.545 120.570 -0.004 0.000 2.648 169 I HA 0.633 4.802 4.170 -0.000 0.000 0.304 169 I C -2.572 173.542 176.117 -0.005 0.000 1.009 169 I CA -3.117 58.175 61.300 -0.012 0.000 1.114 169 I CB 1.679 39.660 38.000 -0.031 0.000 1.293 169 I HN 0.040 nan 8.210 nan 0.000 0.449 170 P HA 0.114 nan 4.420 nan 0.000 0.262 170 P C 0.745 178.058 177.300 0.022 0.000 1.182 170 P CA 0.862 63.968 63.100 0.011 0.000 0.761 170 P CB 0.637 32.341 31.700 0.007 0.000 0.795 171 G N 2.881 111.716 108.800 0.058 0.000 2.157 171 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.239 171 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.239 171 G C 0.704 175.660 174.900 0.092 0.000 0.982 171 G CA 0.128 45.308 45.100 0.133 0.000 0.650 171 G HN 0.526 nan 8.290 nan 0.000 0.527 172 I N 1.992 122.577 120.570 0.025 0.000 2.335 172 I HA -0.103 4.067 4.170 -0.000 0.000 0.251 172 I C 2.580 178.680 176.117 -0.029 0.000 1.129 172 I CA 2.408 63.706 61.300 -0.003 0.000 1.402 172 I CB -0.110 37.886 38.000 -0.006 0.000 1.069 172 I HN 0.481 nan 8.210 nan 0.000 0.424 173 E N -0.501 119.654 120.200 -0.075 0.000 2.401 173 E HA -0.268 4.082 4.350 -0.000 0.000 0.199 173 E C 1.216 177.625 176.600 -0.318 0.000 1.023 173 E CA 1.503 57.796 56.400 -0.179 0.000 0.859 173 E CB -1.048 28.520 29.700 -0.220 0.000 0.780 173 E HN 0.677 nan 8.360 nan 0.000 0.523 174 H N -0.679 118.383 119.070 -0.013 0.000 2.539 174 H HA 0.239 4.795 4.556 -0.000 0.000 0.269 174 H C 0.139 175.444 175.328 -0.039 0.000 0.980 174 H CA -0.133 55.902 56.048 -0.021 0.000 1.152 174 H CB 0.241 29.990 29.762 -0.022 0.000 1.407 174 H HN 0.126 nan 8.280 nan 0.000 0.564 175 C N 1.220 120.528 119.300 0.013 0.000 2.335 175 C HA 0.515 4.975 4.460 -0.000 0.000 0.363 175 C C 0.887 175.848 174.990 -0.048 0.000 1.198 175 C CA -1.005 57.997 59.018 -0.027 0.000 2.279 175 C CB 0.506 28.220 27.740 -0.043 0.000 2.334 175 C HN 0.453 nan 8.230 nan 0.000 0.559 176 I N 0.374 120.899 120.570 -0.075 0.000 3.100 176 I HA 0.831 5.001 4.170 -0.000 0.000 0.312 176 I C 0.183 176.211 176.117 -0.149 0.000 1.063 176 I CA -0.176 61.066 61.300 -0.098 0.000 1.031 176 I CB 1.598 39.544 38.000 -0.090 0.000 1.243 176 I HN 0.686 nan 8.210 nan 0.000 0.483 177 S N 0.346 115.921 115.700 -0.207 0.000 2.786 177 S HA 0.355 4.825 4.470 -0.000 0.000 0.307 177 S C 1.005 175.402 174.600 -0.338 0.000 1.121 177 S CA -0.005 58.034 58.200 -0.269 0.000 0.975 177 S CB 1.093 64.092 63.200 -0.335 0.000 1.220 177 S HN 0.882 nan 8.310 nan 0.000 0.550 178 S N 1.238 116.711 115.700 -0.379 0.000 2.400 178 S HA -0.204 4.266 4.470 -0.000 0.000 0.232 178 S C 1.438 175.924 174.600 -0.189 0.000 1.025 178 S CA 1.354 59.265 58.200 -0.481 0.000 0.993 178 S CB -1.085 61.966 63.200 -0.248 0.000 0.808 178 S HN 0.684 nan 8.310 nan 0.000 0.478 179 N N 2.163 120.730 118.700 -0.222 0.000 2.069 179 N HA -0.108 4.631 4.740 -0.000 0.000 0.191 179 N C 1.684 177.134 175.510 -0.099 0.000 1.031 179 N CA 1.908 54.802 53.050 -0.260 0.000 0.852 179 N CB -0.520 37.357 38.487 -1.017 0.000 1.018 179 N HN 0.594 nan 8.380 nan 0.000 0.423 180 E N 0.544 120.625 120.200 -0.197 0.000 2.158 180 E HA 0.149 4.499 4.350 -0.000 0.000 0.191 180 E C 1.935 178.640 176.600 0.175 0.000 0.982 180 E CA 0.703 57.161 56.400 0.096 0.000 0.823 180 E CB -0.275 29.432 29.700 0.011 0.000 0.766 180 E HN 0.333 nan 8.360 nan 0.000 0.468 181 A N 0.468 123.268 122.820 -0.034 0.000 1.948 181 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 181 A C 1.714 179.373 177.584 0.127 0.000 1.177 181 A CA 1.248 53.267 52.037 -0.030 0.000 0.636 181 A CB -0.942 17.727 19.000 -0.551 0.000 0.815 181 A HN 0.269 nan 8.150 nan 0.000 0.449 182 F N -2.208 117.801 119.950 0.098 0.000 2.449 182 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 182 F C 1.141 176.676 175.800 -0.442 0.000 1.092 182 F CA 1.236 59.139 58.000 -0.161 0.000 1.446 182 F CB -0.304 38.476 39.000 -0.366 0.000 1.084 182 F HN 0.362 nan 8.300 nan 0.000 0.567 183 Y N -1.462 119.078 120.300 0.399 0.000 2.717 183 Y HA 0.319 4.869 4.550 -0.000 0.000 0.250 183 Y C 0.314 176.410 175.900 0.326 0.000 1.149 183 Y CA -1.021 57.275 58.100 0.326 0.000 1.211 183 Y CB -0.285 38.370 38.460 0.324 0.000 1.289 183 Y HN -0.276 nan 8.280 nan 0.000 0.552 184 L N 4.031 125.550 121.223 0.493 0.000 2.559 184 L HA 0.008 4.347 4.340 -0.000 0.000 0.274 184 L C -1.122 176.040 176.870 0.488 0.000 1.205 184 L CA -0.980 54.111 54.840 0.418 0.000 0.907 184 L CB 0.595 42.843 42.059 0.316 0.000 1.153 184 L HN -0.005 nan 8.230 nan 0.000 0.490 185 P HA -0.132 nan 4.420 nan 0.000 0.222 185 P C -0.200 177.292 177.300 0.320 0.000 1.147 185 P CA 1.178 64.444 63.100 0.276 0.000 0.790 185 P CB 0.151 31.952 31.700 0.169 0.000 0.780 186 E N -1.614 118.722 120.200 0.227 0.000 2.423 186 E HA 0.418 4.768 4.350 -0.000 0.000 0.280 186 E C -3.244 173.094 176.600 -0.437 0.000 1.030 186 E CA -2.718 53.726 56.400 0.074 0.000 0.812 186 E CB 1.170 30.904 29.700 0.058 0.000 1.313 186 E HN -0.219 nan 8.360 nan 0.000 0.456 187 P HA 0.219 nan 4.420 nan 0.000 0.276 187 P C -2.413 174.585 177.300 -0.504 0.000 1.235 187 P CA -1.304 61.186 63.100 -1.018 0.000 0.772 187 P CB 0.168 31.557 31.700 -0.518 0.000 0.871 188 P HA 0.239 nan 4.420 nan 0.000 0.276 188 P C 0.817 177.956 177.300 -0.269 0.000 1.230 188 P CA -0.268 62.598 63.100 -0.389 0.000 0.776 188 P CB 1.407 32.778 31.700 -0.549 0.000 0.888 189 R N 2.531 122.924 120.500 -0.177 0.000 2.073 189 R HA 0.005 4.345 4.340 -0.000 0.000 0.229 189 R C 0.516 176.753 176.300 -0.106 0.000 1.120 189 R CA 1.054 57.087 56.100 -0.111 0.000 0.967 189 R CB 0.250 30.504 30.300 -0.076 0.000 0.862 189 R HN 0.474 nan 8.270 nan 0.000 0.436 190 R N 0.029 120.455 120.500 -0.124 0.000 2.480 190 R HA 0.371 4.711 4.340 -0.000 0.000 0.306 190 R C -1.628 174.575 176.300 -0.162 0.000 0.958 190 R CA -0.450 55.587 56.100 -0.106 0.000 0.861 190 R CB 2.680 32.940 30.300 -0.066 0.000 1.171 190 R HN -0.031 nan 8.270 nan 0.000 0.445 191 V N 4.635 124.447 119.914 -0.170 0.000 2.841 191 V HA 0.541 4.660 4.120 -0.000 0.000 0.310 191 V C -1.744 174.283 176.094 -0.111 0.000 1.090 191 V CA -1.003 61.155 62.300 -0.236 0.000 0.930 191 V CB 2.124 33.629 31.823 -0.530 0.000 1.014 191 V HN 0.606 nan 8.190 nan 0.000 0.425 192 L N 6.218 127.388 121.223 -0.089 0.000 2.280 192 L HA 0.767 5.107 4.340 -0.000 0.000 0.287 192 L C 0.234 177.100 176.870 -0.007 0.000 1.023 192 L CA 0.337 55.171 54.840 -0.010 0.000 0.819 192 L CB 1.707 43.776 42.059 0.016 0.000 1.212 192 L HN 0.934 nan 8.230 nan 0.000 0.420 193 T N 2.431 117.016 114.554 0.051 0.000 2.767 193 T HA 0.627 4.977 4.350 -0.000 0.000 0.288 193 T C -0.255 174.482 174.700 0.063 0.000 0.963 193 T CA -0.695 61.445 62.100 0.066 0.000 1.019 193 T CB 1.036 69.985 68.868 0.134 0.000 0.923 193 T HN 0.326 nan 8.240 nan 0.000 0.468 194 V N 3.392 123.330 119.914 0.041 0.000 2.350 194 V HA 0.824 4.944 4.120 -0.000 0.000 0.276 194 V C 0.777 176.914 176.094 0.071 0.000 1.028 194 V CA 0.155 62.495 62.300 0.067 0.000 0.860 194 V CB 0.396 32.238 31.823 0.032 0.000 0.990 194 V HN 1.498 nan 8.190 nan 0.000 0.453 195 G N 3.397 112.274 108.800 0.128 0.000 2.435 195 G HA2 0.322 4.282 3.960 -0.000 0.000 0.603 195 G HA3 0.322 4.282 3.960 -0.000 0.000 0.603 195 G C 0.153 175.073 174.900 0.033 0.000 1.496 195 G CA -0.325 44.849 45.100 0.123 0.000 0.896 195 G HN 1.023 nan 8.290 nan 0.000 0.657 196 G N -0.156 108.554 108.800 -0.150 0.000 3.233 196 G HA2 0.591 4.551 3.960 -0.000 0.000 0.234 196 G HA3 0.591 4.551 3.960 -0.000 0.000 0.234 196 G C 0.971 175.651 174.900 -0.366 0.000 1.137 196 G CA 1.150 45.929 45.100 -0.535 0.000 0.763 196 G HN 1.294 nan 8.290 nan 0.000 0.549 197 G N 0.169 108.863 108.800 -0.176 0.000 2.535 197 G HA2 0.369 4.329 3.960 -0.000 0.000 0.282 197 G HA3 0.369 4.329 3.960 -0.000 0.000 0.282 197 G C 0.869 175.756 174.900 -0.022 0.000 1.350 197 G CA -0.178 44.904 45.100 -0.030 0.000 1.039 197 G HN 0.235 nan 8.290 nan 0.000 0.509 198 F N -0.924 119.018 119.950 -0.014 0.000 2.186 198 F HA 0.046 4.573 4.527 -0.000 0.000 0.299 198 F C 2.184 178.000 175.800 0.027 0.000 1.090 198 F CA 1.007 58.988 58.000 -0.031 0.000 1.307 198 F CB -0.565 38.449 39.000 0.024 0.000 1.019 198 F HN 0.174 nan 8.300 nan 0.000 0.489 199 I N 0.415 120.481 120.570 -0.841 0.000 2.179 199 I HA -0.273 3.896 4.170 -0.000 0.000 0.242 199 I C 2.897 178.975 176.117 -0.065 0.000 1.088 199 I CA 1.611 62.624 61.300 -0.479 0.000 1.357 199 I CB -0.822 36.878 38.000 -0.500 0.000 1.051 199 I HN 0.394 nan 8.210 nan 0.000 0.409 200 S N 0.375 116.022 115.700 -0.088 0.000 2.359 200 S HA -0.156 4.314 4.470 -0.000 0.000 0.224 200 S C 2.113 176.733 174.600 0.033 0.000 1.035 200 S CA 1.641 59.843 58.200 0.004 0.000 1.018 200 S CB -0.267 62.922 63.200 -0.019 0.000 0.876 200 S HN 0.226 nan 8.310 nan 0.000 0.448 201 V N 1.703 121.604 119.914 -0.020 0.000 2.307 201 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 201 V C 2.471 178.553 176.094 -0.020 0.000 1.045 201 V CA 2.138 64.421 62.300 -0.029 0.000 1.024 201 V CB -0.821 30.957 31.823 -0.076 0.000 0.651 201 V HN 0.533 nan 8.190 nan 0.000 0.449 202 E N -0.488 119.700 120.200 -0.020 0.000 2.058 202 E HA -0.228 4.121 4.350 -0.000 0.000 0.194 202 E C 2.109 178.584 176.600 -0.208 0.000 0.997 202 E CA 1.644 57.996 56.400 -0.080 0.000 0.801 202 E CB -0.261 29.406 29.700 -0.056 0.000 0.746 202 E HN 0.553 nan 8.360 nan 0.000 0.450 203 F N 0.896 120.730 119.950 -0.193 0.000 2.171 203 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 203 F C 2.415 178.035 175.800 -0.301 0.000 1.090 203 F CA 1.134 58.904 58.000 -0.384 0.000 1.293 203 F CB -0.486 38.287 39.000 -0.378 0.000 1.013 203 F HN 0.003 nan 8.300 nan 0.000 0.486 204 A N 0.074 122.971 122.820 0.128 0.000 1.908 204 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 204 A C 2.557 180.193 177.584 0.087 0.000 1.181 204 A CA 1.914 54.057 52.037 0.176 0.000 0.627 204 A CB -1.614 17.453 19.000 0.112 0.000 0.818 204 A HN 0.418 nan 8.150 nan 0.000 0.445 205 G N -0.242 108.557 108.800 -0.001 0.000 2.402 205 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.216 205 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.216 205 G C 1.524 176.427 174.900 0.005 0.000 1.162 205 G CA 1.029 46.126 45.100 -0.006 0.000 0.777 205 G HN 0.474 nan 8.290 nan 0.000 0.539 206 I N -0.081 120.430 120.570 -0.099 0.000 2.142 206 I HA -0.133 4.036 4.170 -0.000 0.000 0.240 206 I C 2.437 178.644 176.117 0.150 0.000 1.078 206 I CA 1.014 62.279 61.300 -0.058 0.000 1.343 206 I CB -0.239 37.518 38.000 -0.405 0.000 1.046 206 I HN 0.053 nan 8.210 nan 0.000 0.405 207 F N 0.767 120.823 119.950 0.177 0.000 2.186 207 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 207 F C 2.347 178.197 175.800 0.083 0.000 1.090 207 F CA 1.308 59.367 58.000 0.098 0.000 1.307 207 F CB -1.339 37.672 39.000 0.019 0.000 1.019 207 F HN 0.128 nan 8.300 nan 0.000 0.489 208 N N 0.624 119.473 118.700 0.249 0.000 2.094 208 N HA -0.210 4.530 4.740 -0.000 0.000 0.191 208 N C 1.798 177.370 175.510 0.103 0.000 1.023 208 N CA 1.691 54.822 53.050 0.135 0.000 0.857 208 N CB -0.352 38.183 38.487 0.079 0.000 1.013 208 N HN 0.203 nan 8.380 nan 0.000 0.426 209 A N -1.588 121.301 122.820 0.115 0.000 1.968 209 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 209 A C 1.367 178.910 177.584 -0.069 0.000 1.169 209 A CA 0.945 52.976 52.037 -0.009 0.000 0.638 209 A CB -0.545 18.416 19.000 -0.065 0.000 0.812 209 A HN 0.493 nan 8.150 nan 0.000 0.446 210 Y N 0.443 120.842 120.300 0.164 0.000 2.467 210 Y HA 0.146 4.696 4.550 -0.000 0.000 0.250 210 Y C 0.852 176.813 175.900 0.100 0.000 1.155 210 Y CA -0.220 58.001 58.100 0.202 0.000 1.249 210 Y CB 0.289 39.001 38.460 0.420 0.000 1.146 210 Y HN 0.295 nan 8.280 nan 0.000 0.524 211 K N 1.442 121.939 120.400 0.162 0.000 2.489 211 K HA 0.128 4.448 4.320 -0.000 0.000 0.278 211 K C -2.793 173.835 176.600 0.048 0.000 1.000 211 K CA -1.441 54.882 56.287 0.060 0.000 1.012 211 K CB 0.120 32.641 32.500 0.035 0.000 0.903 211 K HN -0.062 nan 8.250 nan 0.000 0.485 212 P HA 0.137 nan 4.420 nan 0.000 0.271 212 P C -2.460 174.850 177.300 0.017 0.000 1.244 212 P CA -1.202 61.913 63.100 0.026 0.000 0.793 212 P CB -0.380 31.324 31.700 0.007 0.000 0.984 213 P HA -0.047 nan 4.420 nan 0.000 0.264 213 P C 0.836 178.139 177.300 0.006 0.000 1.173 213 P CA 1.813 64.922 63.100 0.015 0.000 0.761 213 P CB -0.168 31.543 31.700 0.018 0.000 0.794 214 G N 1.975 110.777 108.800 0.004 0.000 2.296 214 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.282 214 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.282 214 G C 0.702 175.597 174.900 -0.008 0.000 1.014 214 G CA 0.069 45.168 45.100 -0.002 0.000 0.812 214 G HN 0.877 nan 8.290 nan 0.000 0.508 215 G N -1.177 107.618 108.800 -0.008 0.000 2.580 215 G HA2 0.637 4.596 3.960 -0.000 0.000 0.278 215 G HA3 0.637 4.596 3.960 -0.000 0.000 0.278 215 G C -0.263 174.629 174.900 -0.014 0.000 1.212 215 G CA 0.105 45.195 45.100 -0.018 0.000 0.939 215 G HN 0.731 nan 8.290 nan 0.000 0.513 216 K N -0.551 119.837 120.400 -0.021 0.000 2.589 216 K HA 0.415 4.734 4.320 -0.000 0.000 0.253 216 K C -1.364 175.227 176.600 -0.014 0.000 0.974 216 K CA -0.486 55.792 56.287 -0.014 0.000 0.835 216 K CB 1.793 34.283 32.500 -0.016 0.000 1.272 216 K HN 0.315 nan 8.250 nan 0.000 0.444 217 V N 3.994 123.914 119.914 0.009 0.000 2.394 217 V HA 0.535 4.655 4.120 -0.000 0.000 0.282 217 V C -0.388 175.720 176.094 0.024 0.000 1.031 217 V CA -0.382 61.935 62.300 0.030 0.000 0.881 217 V CB 1.647 33.526 31.823 0.092 0.000 0.982 217 V HN 0.857 nan 8.190 nan 0.000 0.451 218 T N 6.543 121.110 114.554 0.023 0.000 2.829 218 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 218 T C -0.661 174.069 174.700 0.050 0.000 0.999 218 T CA -0.336 61.779 62.100 0.026 0.000 0.983 218 T CB 1.530 70.413 68.868 0.026 0.000 0.968 218 T HN 0.543 nan 8.240 nan 0.000 0.446 219 L N 3.833 125.085 121.223 0.048 0.000 2.381 219 L HA 0.765 5.104 4.340 -0.000 0.000 0.274 219 L C -0.473 176.443 176.870 0.078 0.000 0.988 219 L CA -0.712 54.168 54.840 0.067 0.000 0.824 219 L CB 0.613 42.703 42.059 0.051 0.000 1.263 219 L HN 0.966 nan 8.230 nan 0.000 0.410 220 C N 2.709 122.082 119.300 0.122 0.000 2.454 220 C HA 0.791 5.251 4.460 -0.000 0.000 0.336 220 C C -0.794 174.329 174.990 0.222 0.000 1.189 220 C CA -0.871 58.236 59.018 0.149 0.000 1.877 220 C CB 1.070 28.947 27.740 0.228 0.000 2.348 220 C HN 0.842 nan 8.230 nan 0.000 0.508 221 Y N 2.004 122.327 120.300 0.038 0.000 2.513 221 Y HA 0.516 5.066 4.550 -0.000 0.000 0.340 221 Y C 1.090 177.011 175.900 0.035 0.000 1.055 221 Y CA -1.189 56.932 58.100 0.035 0.000 1.020 221 Y CB 1.390 39.862 38.460 0.021 0.000 1.301 221 Y HN 0.916 nan 8.280 nan 0.000 0.453 222 R N 1.954 122.154 120.500 -0.500 0.000 2.153 222 R HA 0.096 4.436 4.340 -0.000 0.000 0.218 222 R C -0.602 175.393 176.300 -0.509 0.000 1.072 222 R CA 0.958 56.839 56.100 -0.365 0.000 0.990 222 R CB -0.238 29.926 30.300 -0.227 0.000 0.889 222 R HN 0.628 nan 8.270 nan 0.000 0.452 223 N N 0.239 118.294 118.700 -1.076 0.000 2.593 223 N HA 0.126 4.865 4.740 -0.000 0.000 0.304 223 N C -0.059 175.284 175.510 -0.279 0.000 1.296 223 N CA -0.546 52.129 53.050 -0.624 0.000 0.950 223 N CB 0.474 38.666 38.487 -0.493 0.000 1.127 223 N HN 0.049 nan 8.380 nan 0.000 0.587 224 N N -0.708 117.970 118.700 -0.036 0.000 2.376 224 N HA 0.139 4.879 4.740 -0.000 0.000 0.177 224 N C -0.851 174.736 175.510 0.129 0.000 1.024 224 N CA 0.428 53.501 53.050 0.039 0.000 0.893 224 N CB 0.393 38.894 38.487 0.024 0.000 0.980 224 N HN 0.225 nan 8.380 nan 0.000 0.439 225 L N 0.556 121.934 121.223 0.258 0.000 2.543 225 L HA 0.424 4.763 4.340 -0.000 0.000 0.265 225 L C -0.884 176.104 176.870 0.196 0.000 0.945 225 L CA -1.103 53.853 54.840 0.194 0.000 0.869 225 L CB 1.212 43.332 42.059 0.102 0.000 1.294 225 L HN 0.109 nan 8.230 nan 0.000 0.405 226 I N 2.159 122.735 120.570 0.009 0.000 3.194 226 I HA 0.309 4.478 4.170 -0.000 0.000 0.283 226 I C 0.344 176.319 176.117 -0.237 0.000 1.199 226 I CA -0.537 60.574 61.300 -0.314 0.000 1.328 226 I CB 0.234 38.103 38.000 -0.218 0.000 1.404 226 I HN 0.803 nan 8.210 nan 0.000 0.618 227 L N 0.340 121.388 121.223 -0.291 0.000 3.598 227 L HA -0.174 4.166 4.340 -0.000 0.000 0.422 227 L C 0.652 177.611 176.870 0.148 0.000 1.262 227 L CA 0.306 55.085 54.840 -0.103 0.000 0.889 227 L CB -1.330 40.553 42.059 -0.293 0.000 1.857 227 L HN 0.781 nan 8.230 nan 0.000 0.858 228 R N 0.741 121.286 120.500 0.075 0.000 2.585 228 R HA 0.272 4.612 4.340 -0.000 0.000 0.275 228 R C 1.433 177.842 176.300 0.181 0.000 1.018 228 R CA 1.487 57.665 56.100 0.130 0.000 1.072 228 R CB 0.331 30.713 30.300 0.137 0.000 0.953 228 R HN 0.465 nan 8.270 nan 0.000 0.419 229 G N 2.703 111.554 108.800 0.086 0.000 2.194 229 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.236 229 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.236 229 G C -0.219 174.532 174.900 -0.248 0.000 0.987 229 G CA -0.161 44.894 45.100 -0.075 0.000 0.635 229 G HN 0.500 nan 8.290 nan 0.000 0.520 230 F N 1.168 121.074 119.950 -0.074 0.000 2.509 230 F HA 0.523 5.050 4.527 -0.000 0.000 0.334 230 F C 0.709 176.402 175.800 -0.179 0.000 1.060 230 F CA -0.660 57.267 58.000 -0.121 0.000 0.997 230 F CB 0.872 39.816 39.000 -0.095 0.000 1.271 230 F HN 0.005 nan 8.300 nan 0.000 0.488 231 D N 1.621 121.965 120.400 -0.092 0.000 2.493 231 D HA -0.098 4.541 4.640 -0.000 0.000 0.240 231 D C 0.793 177.066 176.300 -0.046 0.000 1.142 231 D CA 0.350 54.217 54.000 -0.222 0.000 0.872 231 D CB 0.978 41.592 40.800 -0.310 0.000 1.173 231 D HN 0.818 nan 8.370 nan 0.000 0.467 232 E N 2.191 122.377 120.200 -0.024 0.000 2.150 232 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 232 E C 1.288 177.897 176.600 0.014 0.000 0.985 232 E CA 1.009 57.416 56.400 0.013 0.000 0.814 232 E CB 0.237 29.955 29.700 0.030 0.000 0.752 232 E HN 0.560 nan 8.360 nan 0.000 0.466 233 T N 1.421 115.990 114.554 0.024 0.000 2.684 233 T HA -0.151 4.198 4.350 -0.000 0.000 0.267 233 T C 1.892 176.587 174.700 -0.009 0.000 1.036 233 T CA 1.354 63.467 62.100 0.021 0.000 1.148 233 T CB -0.177 68.718 68.868 0.045 0.000 0.863 233 T HN 0.203 nan 8.240 nan 0.000 0.436 234 I N 0.694 121.251 120.570 -0.021 0.000 2.286 234 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 234 I C 2.746 178.824 176.117 -0.065 0.000 1.115 234 I CA 1.258 62.527 61.300 -0.052 0.000 1.392 234 I CB -0.273 37.700 38.000 -0.044 0.000 1.065 234 I HN 0.174 nan 8.210 nan 0.000 0.418 235 R N 0.784 121.259 120.500 -0.040 0.000 2.083 235 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 235 R C 2.142 178.415 176.300 -0.045 0.000 1.137 235 R CA 1.577 57.646 56.100 -0.053 0.000 0.951 235 R CB -0.390 29.902 30.300 -0.013 0.000 0.851 235 R HN 0.466 nan 8.270 nan 0.000 0.434 236 E N 0.429 120.615 120.200 -0.023 0.000 2.077 236 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 236 E C 1.951 178.533 176.600 -0.028 0.000 0.989 236 E CA 0.756 57.145 56.400 -0.018 0.000 0.800 236 E CB -0.029 29.667 29.700 -0.006 0.000 0.746 236 E HN 0.294 nan 8.360 nan 0.000 0.452 237 E N 0.778 120.955 120.200 -0.037 0.000 2.072 237 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 237 E C 2.268 178.837 176.600 -0.052 0.000 0.985 237 E CA 0.573 56.948 56.400 -0.042 0.000 0.801 237 E CB -0.328 29.338 29.700 -0.057 0.000 0.750 237 E HN 0.138 nan 8.360 nan 0.000 0.452 238 V N 1.071 120.938 119.914 -0.078 0.000 2.407 238 V HA -0.241 3.878 4.120 -0.000 0.000 0.248 238 V C 1.997 178.049 176.094 -0.069 0.000 1.055 238 V CA 2.491 64.738 62.300 -0.087 0.000 1.049 238 V CB -0.626 31.117 31.823 -0.134 0.000 0.662 238 V HN 0.248 nan 8.190 nan 0.000 0.455 239 T N 0.265 114.780 114.554 -0.063 0.000 2.635 239 T HA -0.292 4.057 4.350 -0.000 0.000 0.267 239 T C 1.861 176.532 174.700 -0.048 0.000 1.040 239 T CA 2.384 64.453 62.100 -0.050 0.000 1.156 239 T CB -0.375 68.472 68.868 -0.035 0.000 0.863 239 T HN 0.631 nan 8.240 nan 0.000 0.430 240 K N 0.682 121.059 120.400 -0.039 0.000 2.057 240 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 240 K C 2.393 178.961 176.600 -0.054 0.000 1.049 240 K CA 1.386 57.650 56.287 -0.038 0.000 0.931 240 K CB -0.077 32.414 32.500 -0.015 0.000 0.714 240 K HN 0.419 nan 8.250 nan 0.000 0.440 241 Q N 0.289 120.078 119.800 -0.019 0.000 2.172 241 Q HA -0.060 4.280 4.340 -0.000 0.000 0.200 241 Q C 2.212 178.171 176.000 -0.069 0.000 0.964 241 Q CA 0.983 56.801 55.803 0.024 0.000 0.855 241 Q CB 0.039 28.852 28.738 0.125 0.000 0.918 241 Q HN 0.335 nan 8.270 nan 0.000 0.444 242 L N 0.036 121.220 121.223 -0.065 0.000 2.056 242 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 242 L C 2.359 179.166 176.870 -0.106 0.000 1.078 242 L CA 1.255 56.052 54.840 -0.071 0.000 0.749 242 L CB -0.650 41.377 42.059 -0.053 0.000 0.901 242 L HN 0.233 nan 8.230 nan 0.000 0.433 243 T N 0.011 114.499 114.554 -0.110 0.000 2.746 243 T HA -0.179 4.170 4.350 -0.000 0.000 0.267 243 T C 1.980 176.564 174.700 -0.195 0.000 1.039 243 T CA 1.318 63.347 62.100 -0.120 0.000 1.142 243 T CB -0.261 68.552 68.868 -0.092 0.000 0.866 243 T HN 0.445 nan 8.240 nan 0.000 0.444 244 A N 1.741 124.372 122.820 -0.315 0.000 2.019 244 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 244 A C 2.058 179.296 177.584 -0.576 0.000 1.164 244 A CA 1.446 53.143 52.037 -0.566 0.000 0.644 244 A CB -0.508 17.851 19.000 -1.069 0.000 0.805 244 A HN 0.404 nan 8.150 nan 0.000 0.449 245 N N -1.154 117.301 118.700 -0.408 0.000 2.314 245 N HA 0.218 4.958 4.740 -0.000 0.000 0.200 245 N C 0.867 176.306 175.510 -0.119 0.000 1.135 245 N CA 0.957 53.874 53.050 -0.221 0.000 0.835 245 N CB 0.190 38.616 38.487 -0.102 0.000 0.989 245 N HN 0.554 nan 8.380 nan 0.000 0.478 246 G N 0.009 108.734 108.800 -0.125 0.000 2.176 246 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.232 246 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.232 246 G C -0.029 174.843 174.900 -0.048 0.000 0.986 246 G CA -0.165 44.891 45.100 -0.075 0.000 0.643 246 G HN 0.283 nan 8.290 nan 0.000 0.522 247 I N 1.619 122.160 120.570 -0.048 0.000 2.352 247 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 247 I C 0.728 176.826 176.117 -0.031 0.000 1.036 247 I CA -0.387 60.900 61.300 -0.022 0.000 1.336 247 I CB 1.317 39.310 38.000 -0.012 0.000 1.407 247 I HN 0.254 nan 8.210 nan 0.000 0.497 248 E N 7.426 127.612 120.200 -0.022 0.000 2.223 248 E HA 0.210 4.559 4.350 -0.000 0.000 0.282 248 E C -0.932 175.655 176.600 -0.022 0.000 1.046 248 E CA -0.663 55.719 56.400 -0.030 0.000 0.857 248 E CB 0.763 30.444 29.700 -0.032 0.000 1.055 248 E HN 0.360 nan 8.360 nan 0.000 0.409 249 I N 6.047 126.601 120.570 -0.027 0.000 2.307 249 I HA 0.176 4.346 4.170 -0.000 0.000 0.289 249 I C 0.059 176.162 176.117 -0.023 0.000 1.021 249 I CA -0.461 60.831 61.300 -0.013 0.000 1.224 249 I CB 0.826 38.820 38.000 -0.010 0.000 1.376 249 I HN 0.652 nan 8.210 nan 0.000 0.470 250 M N 6.594 126.179 119.600 -0.026 0.000 2.152 250 M HA 0.239 4.719 4.480 -0.000 0.000 0.354 250 M C 0.374 176.662 176.300 -0.019 0.000 1.173 250 M CA -0.425 54.834 55.300 -0.069 0.000 1.110 250 M CB 0.580 33.074 32.600 -0.178 0.000 1.366 250 M HN 0.543 nan 8.290 nan 0.000 0.415 251 T N -1.216 113.335 114.554 -0.005 0.000 2.874 251 T HA 0.317 4.667 4.350 -0.000 0.000 0.281 251 T C 0.820 175.493 174.700 -0.045 0.000 0.994 251 T CA -0.895 61.219 62.100 0.024 0.000 1.015 251 T CB 0.604 69.504 68.868 0.054 0.000 1.028 251 T HN 0.755 nan 8.240 nan 0.000 0.523 252 N N 0.724 119.376 118.700 -0.080 0.000 2.710 252 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 252 N C -0.752 174.712 175.510 -0.076 0.000 1.059 252 N CA 0.840 53.831 53.050 -0.099 0.000 0.720 252 N CB -0.772 37.671 38.487 -0.073 0.000 0.983 252 N HN 0.715 nan 8.380 nan 0.000 0.544 253 E N 0.646 120.810 120.200 -0.059 0.000 2.234 253 E HA 0.420 4.770 4.350 -0.000 0.000 0.266 253 E C -0.630 176.056 176.600 0.144 0.000 0.877 253 E CA -0.598 55.802 56.400 0.000 0.000 0.758 253 E CB 2.043 31.622 29.700 -0.201 0.000 1.170 253 E HN 0.154 nan 8.360 nan 0.000 0.415 254 N N 2.439 121.282 118.700 0.237 0.000 2.430 254 N HA 0.355 5.095 4.740 -0.000 0.000 0.290 254 N C -2.947 172.641 175.510 0.128 0.000 1.063 254 N CA -2.002 51.146 53.050 0.164 0.000 0.883 254 N CB 1.823 40.338 38.487 0.047 0.000 1.465 254 N HN -0.014 nan 8.380 nan 0.000 0.493 255 P HA 0.062 nan 4.420 nan 0.000 0.261 255 P C -0.450 176.744 177.300 -0.175 0.000 1.183 255 P CA 0.158 63.046 63.100 -0.354 0.000 0.761 255 P CB 0.831 32.339 31.700 -0.320 0.000 0.785 256 A N 4.642 127.352 122.820 -0.183 0.000 1.973 256 A HA 0.124 4.444 4.320 -0.000 0.000 0.210 256 A C 0.690 178.217 177.584 -0.097 0.000 1.200 256 A CA 1.246 53.227 52.037 -0.093 0.000 0.707 256 A CB -0.210 18.758 19.000 -0.054 0.000 0.862 256 A HN 0.584 nan 8.150 nan 0.000 0.461 257 K N -2.280 118.034 120.400 -0.143 0.000 2.578 257 K HA 0.647 4.967 4.320 -0.000 0.000 0.287 257 K C -1.896 174.620 176.600 -0.140 0.000 1.010 257 K CA -0.762 55.462 56.287 -0.104 0.000 0.889 257 K CB 1.632 34.100 32.500 -0.053 0.000 1.514 257 K HN -0.046 nan 8.250 nan 0.000 0.424 258 V N 1.273 121.140 119.914 -0.078 0.000 2.709 258 V HA 0.596 4.716 4.120 -0.000 0.000 0.308 258 V C -0.910 175.166 176.094 -0.030 0.000 1.062 258 V CA -0.508 61.746 62.300 -0.076 0.000 0.901 258 V CB 1.796 33.589 31.823 -0.050 0.000 1.003 258 V HN 0.998 nan 8.190 nan 0.000 0.425 259 S N 3.966 119.644 115.700 -0.036 0.000 2.634 259 S HA 0.751 5.221 4.470 -0.000 0.000 0.296 259 S C -0.941 173.566 174.600 -0.156 0.000 1.104 259 S CA -0.822 57.331 58.200 -0.078 0.000 0.920 259 S CB 1.980 65.177 63.200 -0.006 0.000 1.111 259 S HN 0.657 nan 8.310 nan 0.000 0.493 260 L N 2.299 123.346 121.223 -0.293 0.000 2.290 260 L HA 0.423 4.763 4.340 -0.000 0.000 0.284 260 L C -0.562 176.223 176.870 -0.141 0.000 1.078 260 L CA -0.524 54.143 54.840 -0.290 0.000 0.815 260 L CB 0.681 42.513 42.059 -0.379 0.000 1.162 260 L HN 0.741 nan 8.230 nan 0.000 0.435 261 N N 1.223 119.868 118.700 -0.091 0.000 2.476 261 N HA 0.152 4.892 4.740 -0.000 0.000 0.275 261 N C 1.111 176.584 175.510 -0.061 0.000 1.190 261 N CA 0.100 53.108 53.050 -0.069 0.000 0.977 261 N CB 1.471 39.931 38.487 -0.046 0.000 1.200 261 N HN 0.608 nan 8.380 nan 0.000 0.515 262 T N -2.553 111.969 114.554 -0.053 0.000 2.881 262 T HA -0.193 4.157 4.350 -0.000 0.000 0.270 262 T C 0.747 175.429 174.700 -0.030 0.000 1.068 262 T CA 1.303 63.379 62.100 -0.040 0.000 1.131 262 T CB -0.243 68.604 68.868 -0.036 0.000 0.871 262 T HN 0.605 nan 8.240 nan 0.000 0.479 263 D N 0.513 120.894 120.400 -0.030 0.000 2.328 263 D HA 0.300 4.940 4.640 -0.000 0.000 0.221 263 D C 1.600 177.888 176.300 -0.021 0.000 1.072 263 D CA 0.419 54.405 54.000 -0.022 0.000 0.850 263 D CB -0.567 40.220 40.800 -0.021 0.000 0.922 263 D HN 0.593 nan 8.370 nan 0.000 0.516 264 G N 0.095 108.880 108.800 -0.026 0.000 2.234 264 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.235 264 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.235 264 G C 0.552 175.436 174.900 -0.026 0.000 0.997 264 G CA 0.334 45.423 45.100 -0.019 0.000 0.623 264 G HN 0.807 nan 8.290 nan 0.000 0.514 265 S N -0.273 115.408 115.700 -0.032 0.000 2.617 265 S HA 0.695 5.164 4.470 -0.000 0.000 0.259 265 S C -0.006 174.572 174.600 -0.036 0.000 1.301 265 S CA 0.314 58.494 58.200 -0.033 0.000 0.984 265 S CB 1.580 64.763 63.200 -0.027 0.000 0.954 265 S HN 0.432 nan 8.310 nan 0.000 0.572 266 K N 0.153 120.534 120.400 -0.031 0.000 2.259 266 K HA 0.438 4.758 4.320 -0.000 0.000 0.252 266 K C -1.174 175.433 176.600 0.012 0.000 0.936 266 K CA -0.514 55.755 56.287 -0.029 0.000 0.810 266 K CB 1.215 33.690 32.500 -0.041 0.000 1.143 266 K HN 0.741 nan 8.250 nan 0.000 0.427 267 H N 1.338 120.357 119.070 -0.085 0.000 2.623 267 H HA 0.429 4.985 4.556 -0.000 0.000 0.299 267 H C -1.267 174.006 175.328 -0.091 0.000 1.052 267 H CA -0.675 55.331 56.048 -0.070 0.000 1.231 267 H CB 0.461 30.185 29.762 -0.064 0.000 1.389 267 H HN 0.230 nan 8.280 nan 0.000 0.469 268 V N 5.569 125.220 119.914 -0.439 0.000 2.427 268 V HA 0.327 4.447 4.120 -0.000 0.000 0.286 268 V C 0.184 175.926 176.094 -0.587 0.000 1.034 268 V CA -0.529 61.486 62.300 -0.475 0.000 0.893 268 V CB 1.620 33.165 31.823 -0.464 0.000 0.982 268 V HN 0.870 nan 8.190 nan 0.000 0.452 269 T N 5.492 119.752 114.554 -0.490 0.000 2.797 269 T HA 0.629 4.979 4.350 -0.000 0.000 0.279 269 T C -0.497 173.985 174.700 -0.363 0.000 0.991 269 T CA -0.113 61.804 62.100 -0.304 0.000 0.979 269 T CB 0.748 69.526 68.868 -0.151 0.000 0.943 269 T HN 0.268 nan 8.240 nan 0.000 0.444 270 F N 1.070 120.970 119.950 -0.083 0.000 2.380 270 F HA 0.318 4.845 4.527 -0.000 0.000 0.321 270 F C 1.956 177.730 175.800 -0.043 0.000 1.103 270 F CA -0.740 57.225 58.000 -0.058 0.000 1.067 270 F CB 0.738 39.706 39.000 -0.054 0.000 1.265 270 F HN 0.656 nan 8.300 nan 0.000 0.517 271 E N 0.111 120.395 120.200 0.140 0.000 2.160 271 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 271 E C 2.050 178.692 176.600 0.070 0.000 0.991 271 E CA 1.631 58.074 56.400 0.070 0.000 0.810 271 E CB -0.129 29.599 29.700 0.046 0.000 0.742 271 E HN 0.643 nan 8.360 nan 0.000 0.466 272 S N -1.028 114.731 115.700 0.098 0.000 2.474 272 S HA 0.003 4.473 4.470 -0.000 0.000 0.235 272 S C 1.757 176.387 174.600 0.050 0.000 0.997 272 S CA 0.785 59.014 58.200 0.050 0.000 0.949 272 S CB 0.225 63.434 63.200 0.015 0.000 0.766 272 S HN 0.438 nan 8.310 nan 0.000 0.517 273 G N 0.968 109.817 108.800 0.082 0.000 2.279 273 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.223 273 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.223 273 G C 0.080 175.034 174.900 0.089 0.000 1.015 273 G CA -0.038 45.102 45.100 0.068 0.000 0.621 273 G HN 0.569 nan 8.290 nan 0.000 0.506 274 K N 1.804 122.263 120.400 0.098 0.000 2.494 274 K HA 0.409 4.728 4.320 -0.000 0.000 0.273 274 K C 0.663 177.414 176.600 0.252 0.000 0.970 274 K CA 1.297 57.642 56.287 0.096 0.000 0.963 274 K CB 0.333 32.797 32.500 -0.061 0.000 0.913 274 K HN 0.543 nan 8.250 nan 0.000 0.502 275 T N -0.430 114.228 114.554 0.174 0.000 2.906 275 T HA 0.668 5.018 4.350 -0.000 0.000 0.295 275 T C -1.110 173.671 174.700 0.135 0.000 1.061 275 T CA -1.067 61.095 62.100 0.104 0.000 1.000 275 T CB 1.386 70.246 68.868 -0.015 0.000 1.103 275 T HN 0.352 nan 8.240 nan 0.000 0.486 276 L N 0.974 122.237 121.223 0.067 0.000 2.482 276 L HA 0.586 4.926 4.340 -0.000 0.000 0.263 276 L C -1.828 175.055 176.870 0.022 0.000 0.957 276 L CA -0.400 54.498 54.840 0.098 0.000 0.836 276 L CB 2.295 44.487 42.059 0.222 0.000 1.324 276 L HN 0.756 nan 8.230 nan 0.000 0.406 277 D N 4.178 124.617 120.400 0.066 0.000 2.198 277 D HA 0.643 5.283 4.640 -0.000 0.000 0.245 277 D C -0.589 175.720 176.300 0.014 0.000 1.079 277 D CA 0.149 54.187 54.000 0.063 0.000 0.854 277 D CB 2.177 43.031 40.800 0.090 0.000 1.148 277 D HN 0.451 nan 8.370 nan 0.000 0.456 278 V N -0.910 118.997 119.914 -0.013 0.000 3.159 278 V HA 0.364 4.484 4.120 -0.000 0.000 0.308 278 V C 0.316 176.372 176.094 -0.064 0.000 1.190 278 V CA -0.833 61.440 62.300 -0.046 0.000 1.037 278 V CB 2.401 34.188 31.823 -0.061 0.000 1.060 278 V HN 0.209 nan 8.190 nan 0.000 0.437 279 D N 0.400 120.743 120.400 -0.095 0.000 2.162 279 D HA 0.134 4.773 4.640 -0.000 0.000 0.203 279 D C 0.391 176.616 176.300 -0.124 0.000 0.967 279 D CA 1.536 55.473 54.000 -0.105 0.000 0.840 279 D CB 0.749 41.470 40.800 -0.131 0.000 0.972 279 D HN 0.380 nan 8.370 nan 0.000 0.482 280 V N 0.757 120.569 119.914 -0.171 0.000 2.808 280 V HA 0.262 4.382 4.120 -0.000 0.000 0.308 280 V C -0.593 175.397 176.094 -0.173 0.000 1.099 280 V CA -0.792 61.393 62.300 -0.192 0.000 0.920 280 V CB 3.092 34.721 31.823 -0.323 0.000 1.014 280 V HN -0.289 nan 8.190 nan 0.000 0.425 281 V N 5.487 125.326 119.914 -0.126 0.000 2.350 281 V HA 0.461 4.581 4.120 -0.000 0.000 0.285 281 V C -0.056 175.973 176.094 -0.109 0.000 1.014 281 V CA -0.296 61.940 62.300 -0.106 0.000 0.831 281 V CB 1.519 33.291 31.823 -0.085 0.000 1.000 281 V HN 0.873 nan 8.190 nan 0.000 0.433 282 M N 6.325 125.859 119.600 -0.109 0.000 2.055 282 M HA 0.480 4.959 4.480 -0.000 0.000 0.347 282 M C -0.662 175.584 176.300 -0.090 0.000 1.123 282 M CA -0.467 54.764 55.300 -0.116 0.000 1.035 282 M CB 0.894 33.423 32.600 -0.118 0.000 1.484 282 M HN 0.472 nan 8.290 nan 0.000 0.428 283 M N 3.920 123.461 119.600 -0.098 0.000 2.188 283 M HA 0.251 4.731 4.480 -0.000 0.000 0.354 283 M C 0.128 176.367 176.300 -0.101 0.000 1.342 283 M CA 0.177 55.431 55.300 -0.077 0.000 1.117 283 M CB 0.656 33.215 32.600 -0.070 0.000 1.670 283 M HN 0.786 nan 8.290 nan 0.000 0.466 284 A N 4.667 127.445 122.820 -0.070 0.000 3.176 284 A HA 0.399 4.719 4.320 -0.000 0.000 0.265 284 A C 0.664 178.223 177.584 -0.042 0.000 0.936 284 A CA -0.458 51.525 52.037 -0.089 0.000 1.033 284 A CB -0.459 18.476 19.000 -0.108 0.000 1.158 284 A HN 0.927 nan 8.150 nan 0.000 0.485 285 I N -3.684 116.880 120.570 -0.010 0.000 3.793 285 I HA 0.603 4.773 4.170 -0.000 0.000 0.315 285 I C 0.655 176.800 176.117 0.047 0.000 1.275 285 I CA 0.354 61.679 61.300 0.041 0.000 1.214 285 I CB 0.349 38.379 38.000 0.050 0.000 1.018 285 I HN 0.392 nan 8.210 nan 0.000 0.439 286 G N 0.966 109.778 108.800 0.020 0.000 2.350 286 G HA2 0.316 4.276 3.960 -0.000 0.000 0.304 286 G HA3 0.316 4.276 3.960 -0.000 0.000 0.304 286 G C -1.551 173.370 174.900 0.035 0.000 1.421 286 G CA -1.178 43.951 45.100 0.047 0.000 0.934 286 G HN 0.188 nan 8.290 nan 0.000 0.632 287 R N -0.380 120.163 120.500 0.073 0.000 2.621 287 R HA 0.680 5.020 4.340 -0.000 0.000 0.292 287 R C 0.032 176.406 176.300 0.124 0.000 0.969 287 R CA -0.904 55.250 56.100 0.091 0.000 0.887 287 R CB 2.217 32.582 30.300 0.108 0.000 1.180 287 R HN 0.734 nan 8.270 nan 0.000 0.450 288 I N -0.834 119.827 120.570 0.153 0.000 2.493 288 I HA 0.590 4.759 4.170 -0.000 0.000 0.298 288 I C -2.539 173.682 176.117 0.173 0.000 0.998 288 I CA -3.241 58.149 61.300 0.150 0.000 1.137 288 I CB 1.910 39.995 38.000 0.142 0.000 1.310 288 I HN 0.229 nan 8.210 nan 0.000 0.445 289 P HA 0.020 nan 4.420 nan 0.000 0.265 289 P C -0.804 176.575 177.300 0.132 0.000 1.187 289 P CA 0.030 63.206 63.100 0.128 0.000 0.766 289 P CB 0.377 32.134 31.700 0.095 0.000 0.820 290 R N 2.206 122.785 120.500 0.132 0.000 3.171 290 R HA 0.174 4.514 4.340 -0.000 0.000 0.241 290 R C 0.657 176.995 176.300 0.063 0.000 1.421 290 R CA 0.099 56.263 56.100 0.106 0.000 1.444 290 R CB -0.517 29.858 30.300 0.126 0.000 1.247 290 R HN 0.530 nan 8.270 nan 0.000 0.636 291 T N -2.126 112.459 114.554 0.052 0.000 2.985 291 T HA 0.091 4.441 4.350 -0.000 0.000 0.254 291 T C 1.145 175.857 174.700 0.020 0.000 1.021 291 T CA -0.174 61.949 62.100 0.039 0.000 0.957 291 T CB 0.156 69.048 68.868 0.040 0.000 1.047 291 T HN 0.300 nan 8.240 nan 0.000 0.511 292 N N 2.359 121.064 118.700 0.009 0.000 2.223 292 N HA -0.087 4.653 4.740 -0.000 0.000 0.185 292 N C 0.671 176.166 175.510 -0.025 0.000 1.016 292 N CA 1.453 54.497 53.050 -0.010 0.000 0.863 292 N CB -0.108 38.367 38.487 -0.020 0.000 0.983 292 N HN 0.527 nan 8.380 nan 0.000 0.429 293 D N 0.549 120.937 120.400 -0.020 0.000 2.340 293 D HA 0.057 4.697 4.640 -0.000 0.000 0.220 293 D C 1.642 177.949 176.300 0.012 0.000 1.039 293 D CA 0.079 54.068 54.000 -0.018 0.000 0.866 293 D CB 0.182 40.994 40.800 0.021 0.000 0.913 293 D HN 0.264 nan 8.370 nan 0.000 0.523 294 L N 0.337 121.569 121.223 0.015 0.000 2.558 294 L HA -0.017 4.322 4.340 -0.000 0.000 0.225 294 L C 0.241 177.113 176.870 0.004 0.000 1.128 294 L CA 0.121 54.972 54.840 0.019 0.000 0.868 294 L CB -0.061 42.012 42.059 0.023 0.000 1.006 294 L HN -0.157 nan 8.230 nan 0.000 0.454 295 Q N -0.465 119.332 119.800 -0.005 0.000 2.457 295 Q HA -0.228 4.111 4.340 -0.000 0.000 0.283 295 Q C 1.052 177.047 176.000 -0.008 0.000 1.234 295 Q CA 0.713 56.509 55.803 -0.011 0.000 0.877 295 Q CB -2.385 26.344 28.738 -0.015 0.000 1.250 295 Q HN 0.514 nan 8.270 nan 0.000 0.481 296 L N -1.818 119.402 121.223 -0.004 0.000 2.447 296 L HA -0.118 4.222 4.340 -0.000 0.000 0.225 296 L C 2.157 179.023 176.870 -0.007 0.000 1.148 296 L CA 1.366 56.204 54.840 -0.004 0.000 0.808 296 L CB -0.338 41.723 42.059 0.003 0.000 0.928 296 L HN 0.434 nan 8.230 nan 0.000 0.448 297 G N -0.455 108.340 108.800 -0.008 0.000 2.511 297 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 297 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 297 G C 1.392 176.285 174.900 -0.012 0.000 1.133 297 G CA 0.114 45.208 45.100 -0.009 0.000 0.792 297 G HN 0.300 nan 8.290 nan 0.000 0.539 298 N N 0.391 119.083 118.700 -0.014 0.000 2.205 298 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 298 N C 2.269 177.768 175.510 -0.017 0.000 1.015 298 N CA 1.748 54.789 53.050 -0.016 0.000 0.862 298 N CB 0.049 38.526 38.487 -0.017 0.000 0.986 298 N HN 0.431 nan 8.380 nan 0.000 0.429 299 V N -4.724 115.180 119.914 -0.018 0.000 3.604 299 V HA 0.502 4.622 4.120 -0.000 0.000 0.277 299 V C 1.002 177.084 176.094 -0.020 0.000 1.399 299 V CA 0.586 62.873 62.300 -0.021 0.000 1.034 299 V CB 0.119 31.925 31.823 -0.028 0.000 0.824 299 V HN 0.178 nan 8.190 nan 0.000 0.439 300 G N 1.163 109.954 108.800 -0.015 0.000 2.198 300 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.257 300 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.257 300 G C 0.019 174.912 174.900 -0.011 0.000 1.042 300 G CA 0.151 45.245 45.100 -0.011 0.000 0.791 300 G HN 0.970 nan 8.290 nan 0.000 0.502 301 V N 0.932 120.840 119.914 -0.011 0.000 2.458 301 V HA 0.068 4.188 4.120 -0.000 0.000 0.287 301 V C 1.373 177.467 176.094 0.001 0.000 1.009 301 V CA 0.435 62.731 62.300 -0.008 0.000 1.091 301 V CB 0.802 32.621 31.823 -0.007 0.000 0.960 301 V HN 0.397 nan 8.190 nan 0.000 0.476 302 K N 5.363 125.765 120.400 0.003 0.000 2.412 302 K HA 0.313 4.633 4.320 -0.000 0.000 0.281 302 K C -0.395 176.214 176.600 0.014 0.000 1.027 302 K CA -0.145 56.147 56.287 0.008 0.000 0.989 302 K CB 0.492 32.998 32.500 0.009 0.000 0.935 302 K HN 0.521 nan 8.250 nan 0.000 0.475 303 L N 2.314 123.546 121.223 0.015 0.000 2.360 303 L HA 0.276 4.615 4.340 -0.000 0.000 0.271 303 L C 1.041 177.922 176.870 0.019 0.000 1.057 303 L CA -0.854 53.998 54.840 0.020 0.000 0.803 303 L CB 1.432 43.503 42.059 0.021 0.000 1.207 303 L HN 0.737 nan 8.230 nan 0.000 0.445 304 T N -2.000 112.567 114.554 0.021 0.000 2.828 304 T HA 0.214 4.564 4.350 -0.000 0.000 0.290 304 T C -1.692 173.019 174.700 0.019 0.000 1.019 304 T CA -1.429 60.682 62.100 0.018 0.000 1.031 304 T CB 0.944 69.823 68.868 0.017 0.000 1.001 304 T HN 0.372 nan 8.240 nan 0.000 0.531 305 P HA -0.153 nan 4.420 nan 0.000 0.219 305 P C 1.214 178.528 177.300 0.023 0.000 1.161 305 P CA 1.500 64.610 63.100 0.018 0.000 0.909 305 P CB 0.034 31.744 31.700 0.016 0.000 0.793 306 K N -2.578 117.837 120.400 0.026 0.000 2.486 306 K HA 0.157 4.477 4.320 -0.000 0.000 0.194 306 K C 1.214 177.838 176.600 0.040 0.000 1.033 306 K CA 0.813 57.120 56.287 0.034 0.000 1.004 306 K CB -0.217 32.305 32.500 0.037 0.000 0.798 306 K HN 0.273 nan 8.250 nan 0.000 0.495 307 G N -0.493 108.329 108.800 0.037 0.000 2.192 307 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.193 307 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.193 307 G C 0.320 175.248 174.900 0.047 0.000 0.999 307 G CA -0.423 44.703 45.100 0.042 0.000 0.659 307 G HN 0.470 nan 8.290 nan 0.000 0.503 308 G N -0.225 108.602 108.800 0.045 0.000 2.569 308 G HA2 0.543 4.503 3.960 -0.000 0.000 0.249 308 G HA3 0.543 4.503 3.960 -0.000 0.000 0.249 308 G C 0.422 175.346 174.900 0.040 0.000 1.216 308 G CA 0.241 45.369 45.100 0.047 0.000 0.845 308 G HN 0.922 nan 8.290 nan 0.000 0.568 309 V N 1.723 121.664 119.914 0.045 0.000 2.479 309 V HA 0.039 4.158 4.120 -0.000 0.000 0.281 309 V C 0.861 176.978 176.094 0.037 0.000 1.031 309 V CA 0.056 62.380 62.300 0.040 0.000 1.038 309 V CB 0.890 32.742 31.823 0.048 0.000 0.981 309 V HN 0.816 nan 8.190 nan 0.000 0.478 310 Q N 3.781 123.599 119.800 0.030 0.000 2.337 310 Q HA 0.457 4.797 4.340 -0.000 0.000 0.270 310 Q C -0.593 175.429 176.000 0.037 0.000 1.002 310 Q CA -0.207 55.612 55.803 0.026 0.000 0.888 310 Q CB 1.288 30.039 28.738 0.022 0.000 1.222 310 Q HN 0.789 nan 8.270 nan 0.000 0.400 311 V N 0.415 120.351 119.914 0.037 0.000 3.114 311 V HA 0.537 4.656 4.120 -0.000 0.000 0.308 311 V C -0.852 175.274 176.094 0.053 0.000 1.168 311 V CA -1.119 61.217 62.300 0.059 0.000 1.015 311 V CB 1.888 33.753 31.823 0.071 0.000 1.050 311 V HN 0.928 nan 8.190 nan 0.000 0.433 312 D N 0.391 120.844 120.400 0.088 0.000 2.506 312 D HA 0.286 4.926 4.640 -0.000 0.000 0.272 312 D C 0.756 177.089 176.300 0.056 0.000 1.214 312 D CA -0.299 53.755 54.000 0.090 0.000 1.067 312 D CB 0.724 41.616 40.800 0.153 0.000 1.117 312 D HN 0.686 nan 8.370 nan 0.000 0.578 313 E N -1.164 119.034 120.200 -0.005 0.000 2.267 313 E HA -0.126 4.224 4.350 -0.000 0.000 0.197 313 E C 0.833 177.206 176.600 -0.379 0.000 0.998 313 E CA 0.911 57.181 56.400 -0.215 0.000 0.830 313 E CB -0.342 29.130 29.700 -0.380 0.000 0.751 313 E HN 0.432 nan 8.360 nan 0.000 0.491 314 F N -0.281 119.700 119.950 0.051 0.000 2.660 314 F HA 0.202 4.729 4.527 -0.000 0.000 0.302 314 F C 0.777 176.605 175.800 0.046 0.000 1.103 314 F CA -0.155 57.862 58.000 0.029 0.000 1.340 314 F CB 0.515 39.514 39.000 -0.001 0.000 1.048 314 F HN -0.255 nan 8.300 nan 0.000 0.551 315 S N -0.150 115.650 115.700 0.167 0.000 3.361 315 S HA -0.208 4.261 4.470 -0.000 0.000 0.288 315 S C 0.388 175.151 174.600 0.271 0.000 1.269 315 S CA 0.194 58.500 58.200 0.177 0.000 0.976 315 S CB -1.314 61.976 63.200 0.150 0.000 1.162 315 S HN 0.457 nan 8.310 nan 0.000 0.643 316 R N 2.530 123.203 120.500 0.289 0.000 2.234 316 R HA 0.365 4.705 4.340 -0.000 0.000 0.324 316 R C 1.089 177.480 176.300 0.151 0.000 1.054 316 R CA 0.285 56.572 56.100 0.311 0.000 0.912 316 R CB 0.607 31.077 30.300 0.283 0.000 1.030 316 R HN 0.507 nan 8.270 nan 0.000 0.455 317 T N -0.394 114.208 114.554 0.080 0.000 2.680 317 T HA -0.087 4.262 4.350 -0.000 0.000 0.314 317 T C 1.495 176.203 174.700 0.013 0.000 1.045 317 T CA -0.328 61.789 62.100 0.027 0.000 1.025 317 T CB 0.485 69.346 68.868 -0.012 0.000 1.000 317 T HN 0.721 nan 8.240 nan 0.000 0.535 318 N N -0.092 118.612 118.700 0.006 0.000 2.443 318 N HA -0.087 4.652 4.740 -0.000 0.000 0.184 318 N C 0.224 175.722 175.510 -0.020 0.000 1.037 318 N CA 0.426 53.476 53.050 0.000 0.000 0.896 318 N CB -0.651 37.837 38.487 0.003 0.000 0.959 318 N HN 0.422 nan 8.380 nan 0.000 0.442 319 V N 2.852 122.740 119.914 -0.044 0.000 2.383 319 V HA 0.273 4.393 4.120 -0.000 0.000 0.275 319 V C -2.125 173.903 176.094 -0.109 0.000 1.036 319 V CA -1.732 60.528 62.300 -0.066 0.000 0.889 319 V CB 1.182 32.962 31.823 -0.070 0.000 0.985 319 V HN 0.045 nan 8.190 nan 0.000 0.459 320 P HA -0.005 nan 4.420 nan 0.000 0.263 320 P C 0.774 177.964 177.300 -0.183 0.000 1.175 320 P CA 0.599 63.640 63.100 -0.098 0.000 0.761 320 P CB 0.054 31.721 31.700 -0.055 0.000 0.794 321 N N 0.493 119.032 118.700 -0.269 0.000 2.863 321 N HA -0.222 4.518 4.740 -0.000 0.000 0.245 321 N C -0.953 174.149 175.510 -0.681 0.000 1.001 321 N CA 0.532 53.361 53.050 -0.368 0.000 0.901 321 N CB -1.888 36.492 38.487 -0.179 0.000 1.124 321 N HN 0.345 nan 8.380 nan 0.000 0.582 322 I N 1.432 121.573 120.570 -0.715 0.000 2.355 322 I HA 0.404 4.574 4.170 -0.000 0.000 0.288 322 I C -0.603 175.180 176.117 -0.556 0.000 0.999 322 I CA -0.851 60.143 61.300 -0.510 0.000 1.163 322 I CB 0.658 38.535 38.000 -0.206 0.000 1.316 322 I HN -0.002 nan 8.210 nan 0.000 0.454 323 Y N 4.521 124.865 120.300 0.073 0.000 2.562 323 Y HA 0.833 5.383 4.550 -0.000 0.000 0.343 323 Y C 0.130 176.072 175.900 0.070 0.000 1.025 323 Y CA -1.222 56.920 58.100 0.070 0.000 1.082 323 Y CB 1.817 40.320 38.460 0.071 0.000 1.264 323 Y HN 0.515 nan 8.280 nan 0.000 0.478 324 A N 2.752 125.707 122.820 0.225 0.000 2.422 324 A HA 0.870 5.189 4.320 -0.000 0.000 0.302 324 A C -1.102 176.569 177.584 0.145 0.000 1.041 324 A CA -0.659 51.471 52.037 0.155 0.000 0.708 324 A CB 0.934 19.998 19.000 0.107 0.000 1.257 324 A HN 0.789 nan 8.150 nan 0.000 0.414 325 I N -0.780 119.870 120.570 0.132 0.000 3.042 325 I HA 0.953 5.122 4.170 -0.000 0.000 0.310 325 I C 0.441 176.627 176.117 0.115 0.000 1.117 325 I CA -0.311 61.062 61.300 0.121 0.000 1.003 325 I CB 2.024 40.094 38.000 0.117 0.000 1.228 325 I HN 1.857 nan 8.210 nan 0.000 0.443 326 G N 3.036 111.906 108.800 0.116 0.000 2.527 326 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.227 326 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.227 326 G C -0.071 174.897 174.900 0.112 0.000 1.291 326 G CA 0.488 45.656 45.100 0.115 0.000 0.904 326 G HN 0.791 nan 8.290 nan 0.000 0.577 327 D N -0.223 120.249 120.400 0.121 0.000 2.218 327 D HA -0.032 4.607 4.640 -0.000 0.000 0.204 327 D C 2.345 178.713 176.300 0.114 0.000 0.976 327 D CA 1.007 55.082 54.000 0.124 0.000 0.853 327 D CB -0.084 40.806 40.800 0.149 0.000 0.939 327 D HN 0.447 nan 8.370 nan 0.000 0.481 328 I N 1.044 121.681 120.570 0.111 0.000 2.423 328 I HA -0.245 3.925 4.170 -0.000 0.000 0.254 328 I C 1.763 177.929 176.117 0.081 0.000 1.151 328 I CA 1.392 62.750 61.300 0.098 0.000 1.421 328 I CB -0.032 38.024 38.000 0.093 0.000 1.079 328 I HN 0.071 nan 8.210 nan 0.000 0.431 329 T N -3.011 111.589 114.554 0.076 0.000 3.148 329 T HA -0.057 4.293 4.350 -0.000 0.000 0.253 329 T C 0.859 175.583 174.700 0.039 0.000 1.134 329 T CA 0.427 62.558 62.100 0.053 0.000 1.051 329 T CB -0.327 68.566 68.868 0.043 0.000 0.959 329 T HN 0.412 nan 8.240 nan 0.000 0.525 330 D N 0.761 121.195 120.400 0.057 0.000 2.697 330 D HA -0.145 4.495 4.640 -0.000 0.000 0.238 330 D C 0.624 176.941 176.300 0.028 0.000 1.152 330 D CA 0.401 54.434 54.000 0.055 0.000 0.666 330 D CB -0.522 40.310 40.800 0.054 0.000 1.037 330 D HN 0.450 nan 8.370 nan 0.000 0.423 331 R N -0.532 119.981 120.500 0.022 0.000 2.366 331 R HA 0.451 4.791 4.340 -0.000 0.000 0.113 331 R C 0.455 176.772 176.300 0.028 0.000 1.519 331 R CA -0.435 55.654 56.100 -0.017 0.000 1.310 331 R CB -0.396 29.841 30.300 -0.104 0.000 1.109 331 R HN 0.126 nan 8.270 nan 0.000 0.432 332 L N 3.221 124.479 121.223 0.058 0.000 2.315 332 L HA 0.322 4.661 4.340 -0.000 0.000 0.283 332 L C 0.427 177.351 176.870 0.090 0.000 1.089 332 L CA 0.120 55.008 54.840 0.080 0.000 0.833 332 L CB 0.524 42.652 42.059 0.114 0.000 1.170 332 L HN 0.252 nan 8.230 nan 0.000 0.442 333 M N 6.528 126.182 119.600 0.090 0.000 3.396 333 M HA 0.358 4.837 4.480 -0.000 0.000 0.255 333 M C -0.945 175.412 176.300 0.096 0.000 1.398 333 M CA 0.166 55.538 55.300 0.121 0.000 1.554 333 M CB -0.122 32.581 32.600 0.172 0.000 1.070 333 M HN 0.466 nan 8.290 nan 0.000 0.587 334 L N -0.352 120.916 121.223 0.075 0.000 2.431 334 L HA 0.377 4.717 4.340 -0.000 0.000 0.266 334 L C 1.161 178.068 176.870 0.062 0.000 0.978 334 L CA -0.513 54.354 54.840 0.045 0.000 0.822 334 L CB 2.230 44.292 42.059 0.005 0.000 1.310 334 L HN 0.260 nan 8.230 nan 0.000 0.409 335 T N 1.608 116.200 114.554 0.064 0.000 2.597 335 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 335 T C -1.039 173.687 174.700 0.043 0.000 1.053 335 T CA 1.999 64.137 62.100 0.063 0.000 1.165 335 T CB -0.558 68.348 68.868 0.064 0.000 0.863 335 T HN 0.483 nan 8.240 nan 0.000 0.427 336 P HA 0.002 nan 4.420 nan 0.000 0.219 336 P C 1.515 178.818 177.300 0.005 0.000 1.146 336 P CA 0.534 63.641 63.100 0.012 0.000 0.808 336 P CB -0.115 31.588 31.700 0.005 0.000 0.779 337 V N 0.051 119.974 119.914 0.015 0.000 2.379 337 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 337 V C 2.437 178.553 176.094 0.037 0.000 1.044 337 V CA 2.127 64.433 62.300 0.011 0.000 1.036 337 V CB -1.662 30.190 31.823 0.047 0.000 0.664 337 V HN 0.091 nan 8.190 nan 0.000 0.453 338 A N 0.013 122.870 122.820 0.062 0.000 1.908 338 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 338 A C 2.181 179.799 177.584 0.057 0.000 1.181 338 A CA 1.969 54.051 52.037 0.075 0.000 0.627 338 A CB -0.543 18.509 19.000 0.087 0.000 0.818 338 A HN 0.512 nan 8.150 nan 0.000 0.445 339 I N -0.367 120.227 120.570 0.038 0.000 2.202 339 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 339 I C 2.552 178.682 176.117 0.022 0.000 1.091 339 I CA 1.461 62.777 61.300 0.027 0.000 1.368 339 I CB -0.485 37.520 38.000 0.008 0.000 1.058 339 I HN 0.476 nan 8.210 nan 0.000 0.410 340 N N 0.974 119.677 118.700 0.004 0.000 2.104 340 N HA -0.226 4.514 4.740 -0.000 0.000 0.190 340 N C 1.759 177.266 175.510 -0.005 0.000 1.024 340 N CA 1.601 54.643 53.050 -0.013 0.000 0.853 340 N CB 0.042 38.497 38.487 -0.053 0.000 1.008 340 N HN 0.419 nan 8.380 nan 0.000 0.424 341 E N -0.344 119.859 120.200 0.006 0.000 2.058 341 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 341 E C 1.995 178.624 176.600 0.048 0.000 0.997 341 E CA 1.148 57.568 56.400 0.033 0.000 0.801 341 E CB -0.337 29.412 29.700 0.081 0.000 0.746 341 E HN 0.457 nan 8.360 nan 0.000 0.450 342 G N 1.046 109.882 108.800 0.060 0.000 2.418 342 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.217 342 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.217 342 G C 1.680 176.625 174.900 0.075 0.000 1.158 342 G CA 0.908 46.052 45.100 0.074 0.000 0.771 342 G HN 0.353 nan 8.290 nan 0.000 0.545 343 A N 1.124 123.986 122.820 0.070 0.000 1.898 343 A HA 0.333 4.653 4.320 -0.000 0.000 0.216 343 A C 2.812 180.442 177.584 0.076 0.000 1.181 343 A CA 2.150 54.240 52.037 0.089 0.000 0.620 343 A CB -0.781 18.265 19.000 0.075 0.000 0.819 343 A HN 0.764 nan 8.150 nan 0.000 0.442 344 A N -0.358 122.489 122.820 0.045 0.000 1.933 344 A HA -0.021 4.298 4.320 -0.000 0.000 0.218 344 A C 2.149 179.749 177.584 0.026 0.000 1.175 344 A CA 1.685 53.745 52.037 0.038 0.000 0.628 344 A CB -0.633 18.375 19.000 0.014 0.000 0.814 344 A HN 0.779 nan 8.150 nan 0.000 0.444 345 L N -0.161 121.064 121.223 0.003 0.000 2.017 345 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 345 L C 2.333 179.106 176.870 -0.161 0.000 1.073 345 L CA 2.105 56.894 54.840 -0.086 0.000 0.745 345 L CB -0.535 41.469 42.059 -0.091 0.000 0.894 345 L HN 0.130 nan 8.230 nan 0.000 0.432 346 V N 0.017 119.910 119.914 -0.036 0.000 2.307 346 V HA -0.275 3.845 4.120 -0.000 0.000 0.245 346 V C 2.320 178.346 176.094 -0.113 0.000 1.045 346 V CA 1.903 64.221 62.300 0.030 0.000 1.024 346 V CB -0.851 31.105 31.823 0.222 0.000 0.651 346 V HN 0.464 nan 8.190 nan 0.000 0.449 347 D N 0.046 120.447 120.400 0.000 0.000 2.170 347 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 347 D C 2.248 178.466 176.300 -0.137 0.000 1.004 347 D CA 2.177 56.168 54.000 -0.014 0.000 0.860 347 D CB -0.356 40.504 40.800 0.100 0.000 0.931 347 D HN 0.446 nan 8.370 nan 0.000 0.448 348 T N -0.327 114.140 114.554 -0.144 0.000 2.732 348 T HA -0.040 4.310 4.350 -0.000 0.000 0.261 348 T C 2.237 176.733 174.700 -0.341 0.000 1.040 348 T CA 0.672 62.665 62.100 -0.179 0.000 1.145 348 T CB -0.367 68.438 68.868 -0.105 0.000 0.866 348 T HN -0.041 nan 8.240 nan 0.000 0.427 349 V N 0.568 120.164 119.914 -0.530 0.000 2.307 349 V HA -0.045 4.075 4.120 -0.000 0.000 0.245 349 V C 1.868 177.384 176.094 -0.964 0.000 1.045 349 V CA 1.665 63.443 62.300 -0.870 0.000 1.024 349 V CB -0.528 30.512 31.823 -1.305 0.000 0.651 349 V HN 0.437 nan 8.190 nan 0.000 0.449 350 F N -0.147 119.503 119.950 -0.501 0.000 2.717 350 F HA 0.448 4.975 4.527 -0.000 0.000 0.295 350 F C 1.411 176.796 175.800 -0.692 0.000 1.117 350 F CA 0.083 57.735 58.000 -0.580 0.000 1.361 350 F CB -0.494 38.129 39.000 -0.628 0.000 1.112 350 F HN 0.137 nan 8.300 nan 0.000 0.594 351 G N 0.244 108.717 108.800 -0.546 0.000 2.502 351 G HA2 0.203 4.163 3.960 -0.000 0.000 0.305 351 G HA3 0.203 4.163 3.960 -0.000 0.000 0.305 351 G C 0.562 175.418 174.900 -0.072 0.000 1.190 351 G CA -0.429 44.543 45.100 -0.212 0.000 0.933 351 G HN 0.207 nan 8.290 nan 0.000 0.503 352 N N -0.747 117.969 118.700 0.027 0.000 2.364 352 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 352 N C 0.595 176.096 175.510 -0.015 0.000 1.022 352 N CA 1.112 54.166 53.050 0.007 0.000 0.883 352 N CB 0.196 38.703 38.487 0.033 0.000 0.965 352 N HN 0.462 nan 8.380 nan 0.000 0.438 353 K N 0.374 120.770 120.400 -0.005 0.000 2.502 353 K HA 0.382 4.702 4.320 -0.000 0.000 0.254 353 K C -2.960 173.640 176.600 -0.000 0.000 0.947 353 K CA -2.362 53.925 56.287 0.001 0.000 0.834 353 K CB 1.714 34.232 32.500 0.030 0.000 1.112 353 K HN -0.111 nan 8.250 nan 0.000 0.427 354 P HA 0.055 nan 4.420 nan 0.000 0.265 354 P C -1.126 176.278 177.300 0.172 0.000 1.193 354 P CA 0.004 63.115 63.100 0.018 0.000 0.765 354 P CB 0.570 32.188 31.700 -0.137 0.000 0.823 355 R N 2.434 123.079 120.500 0.242 0.000 2.574 355 R HA 0.362 4.701 4.340 -0.000 0.000 0.288 355 R C -0.296 176.093 176.300 0.148 0.000 1.004 355 R CA -0.917 55.289 56.100 0.177 0.000 0.895 355 R CB 2.515 32.870 30.300 0.091 0.000 1.191 355 R HN 0.511 nan 8.270 nan 0.000 0.444 356 K N 1.049 121.429 120.400 -0.034 0.000 2.324 356 K HA 0.413 4.733 4.320 -0.000 0.000 0.253 356 K C -0.753 175.746 176.600 -0.167 0.000 0.932 356 K CA -0.629 55.493 56.287 -0.275 0.000 0.799 356 K CB 2.072 34.115 32.500 -0.762 0.000 1.154 356 K HN 0.213 nan 8.250 nan 0.000 0.425 357 T N 2.243 116.699 114.554 -0.162 0.000 2.901 357 T HA 0.000 4.350 4.350 -0.000 0.000 0.301 357 T C -0.651 173.865 174.700 -0.306 0.000 1.012 357 T CA 0.162 62.121 62.100 -0.236 0.000 1.135 357 T CB 0.661 69.346 68.868 -0.305 0.000 0.936 357 T HN 0.626 nan 8.240 nan 0.000 0.539 358 D N 0.814 121.050 120.400 -0.274 0.000 2.317 358 D HA 0.106 4.746 4.640 -0.000 0.000 0.234 358 D C 0.714 176.862 176.300 -0.254 0.000 1.112 358 D CA -0.409 53.486 54.000 -0.177 0.000 0.840 358 D CB 0.516 41.263 40.800 -0.088 0.000 1.078 358 D HN 0.555 nan 8.370 nan 0.000 0.486 359 H N 2.125 121.175 119.070 -0.033 0.000 2.539 359 H HA 0.099 4.655 4.556 -0.000 0.000 0.269 359 H C 0.456 175.771 175.328 -0.021 0.000 0.980 359 H CA 0.294 56.327 56.048 -0.026 0.000 1.152 359 H CB 0.345 30.091 29.762 -0.026 0.000 1.407 359 H HN 0.441 nan 8.280 nan 0.000 0.564 360 T N -1.409 113.177 114.554 0.053 0.000 2.922 360 T HA 0.310 4.660 4.350 -0.000 0.000 0.285 360 T C 0.589 175.294 174.700 0.008 0.000 1.005 360 T CA -0.793 61.328 62.100 0.035 0.000 1.061 360 T CB 1.689 70.580 68.868 0.038 0.000 1.007 360 T HN 0.318 nan 8.240 nan 0.000 0.502 361 R N -0.501 120.003 120.500 0.006 0.000 3.525 361 R HA -0.095 4.245 4.340 -0.000 0.000 0.276 361 R C -0.589 175.701 176.300 -0.017 0.000 1.116 361 R CA 0.291 56.388 56.100 -0.006 0.000 0.745 361 R CB -2.546 27.754 30.300 0.000 0.000 1.185 361 R HN 0.557 nan 8.270 nan 0.000 0.454 362 V N 1.160 121.062 119.914 -0.020 0.000 2.432 362 V HA 0.461 4.581 4.120 -0.000 0.000 0.271 362 V C 1.106 177.181 176.094 -0.032 0.000 1.046 362 V CA 0.055 62.339 62.300 -0.027 0.000 0.945 362 V CB 1.385 33.192 31.823 -0.026 0.000 0.992 362 V HN 0.408 nan 8.190 nan 0.000 0.471 363 A N 5.080 127.884 122.820 -0.027 0.000 2.371 363 A HA 0.751 5.071 4.320 -0.000 0.000 0.257 363 A C 0.466 178.032 177.584 -0.031 0.000 1.089 363 A CA 0.235 52.256 52.037 -0.027 0.000 0.794 363 A CB 0.518 19.509 19.000 -0.015 0.000 1.029 363 A HN 1.156 nan 8.150 nan 0.000 0.488 364 S N -0.087 115.591 115.700 -0.036 0.000 2.705 364 S HA 0.898 5.368 4.470 -0.000 0.000 0.280 364 S C -0.668 173.903 174.600 -0.048 0.000 1.174 364 S CA -0.155 58.016 58.200 -0.047 0.000 0.823 364 S CB 1.442 64.597 63.200 -0.075 0.000 1.162 364 S HN 2.351 nan 8.310 nan 0.000 0.487 365 A N 0.332 123.094 122.820 -0.097 0.000 2.520 365 A HA 0.736 5.056 4.320 -0.000 0.000 0.298 365 A C -1.356 176.065 177.584 -0.272 0.000 1.051 365 A CA -0.716 51.178 52.037 -0.240 0.000 0.690 365 A CB 1.602 20.332 19.000 -0.449 0.000 1.281 365 A HN 1.223 nan 8.150 nan 0.000 0.402 366 V N 1.637 121.360 119.914 -0.318 0.000 2.398 366 V HA 0.359 4.478 4.120 -0.000 0.000 0.286 366 V C -0.522 175.308 176.094 -0.441 0.000 1.026 366 V CA -0.091 62.050 62.300 -0.264 0.000 0.868 366 V CB 0.913 32.570 31.823 -0.277 0.000 0.982 366 V HN 0.756 nan 8.190 nan 0.000 0.443 367 F N 2.907 122.854 119.950 -0.005 0.000 2.913 367 F HA 0.176 4.702 4.527 -0.000 0.000 0.306 367 F C 1.568 177.331 175.800 -0.062 0.000 1.205 367 F CA -0.269 57.710 58.000 -0.036 0.000 1.359 367 F CB -0.298 38.682 39.000 -0.034 0.000 1.260 367 F HN 0.590 nan 8.300 nan 0.000 0.545 368 S N -0.015 115.669 115.700 -0.026 0.000 2.587 368 S HA 0.417 4.887 4.470 -0.000 0.000 0.260 368 S C -0.156 174.428 174.600 -0.027 0.000 1.353 368 S CA -0.561 57.612 58.200 -0.045 0.000 0.995 368 S CB 1.042 64.177 63.200 -0.107 0.000 0.912 368 S HN 0.264 nan 8.310 nan 0.000 0.568 369 I N 2.043 122.595 120.570 -0.030 0.000 2.382 369 I HA 0.365 4.535 4.170 -0.000 0.000 0.285 369 I C -2.397 173.704 176.117 -0.027 0.000 1.007 369 I CA -2.353 58.931 61.300 -0.027 0.000 1.142 369 I CB 1.574 39.559 38.000 -0.025 0.000 1.289 369 I HN 0.458 nan 8.210 nan 0.000 0.453 370 P HA 0.256 nan 4.420 nan 0.000 0.274 370 P C -2.547 174.696 177.300 -0.096 0.000 1.246 370 P CA -1.140 61.923 63.100 -0.062 0.000 0.795 370 P CB 0.064 31.718 31.700 -0.076 0.000 1.006 371 P HA 0.389 nan 4.420 nan 0.000 0.283 371 P C -0.729 176.439 177.300 -0.221 0.000 1.278 371 P CA -0.268 62.726 63.100 -0.177 0.000 0.834 371 P CB 1.151 32.736 31.700 -0.192 0.000 1.150 372 I N -0.313 120.096 120.570 -0.269 0.000 2.562 372 I HA 0.613 4.783 4.170 -0.000 0.000 0.301 372 I C 0.606 176.614 176.117 -0.183 0.000 1.003 372 I CA -0.557 60.618 61.300 -0.209 0.000 1.127 372 I CB 2.109 39.986 38.000 -0.204 0.000 1.304 372 I HN 0.363 nan 8.210 nan 0.000 0.446 373 G N 2.025 110.766 108.800 -0.099 0.000 2.643 373 G HA2 0.604 4.563 3.960 -0.000 0.000 0.305 373 G HA3 0.604 4.563 3.960 -0.000 0.000 0.305 373 G C -1.256 173.651 174.900 0.012 0.000 1.387 373 G CA -0.354 44.712 45.100 -0.057 0.000 0.982 373 G HN 0.492 nan 8.290 nan 0.000 0.501 374 T N -0.548 114.026 114.554 0.034 0.000 2.916 374 T HA 0.574 4.924 4.350 -0.000 0.000 0.305 374 T C -1.397 173.290 174.700 -0.021 0.000 1.119 374 T CA -0.518 61.617 62.100 0.057 0.000 1.008 374 T CB 1.559 70.555 68.868 0.214 0.000 1.129 374 T HN 1.096 nan 8.240 nan 0.000 0.480 375 C N 3.538 122.782 119.300 -0.094 0.000 2.701 375 C HA 0.877 5.337 4.460 -0.000 0.000 0.336 375 C C 0.861 175.787 174.990 -0.106 0.000 1.123 375 C CA 1.146 60.116 59.018 -0.080 0.000 1.326 375 C CB -0.022 27.679 27.740 -0.065 0.000 1.833 375 C HN 1.706 nan 8.230 nan 0.000 0.473 376 G N 4.516 113.291 108.800 -0.041 0.000 2.542 376 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.235 376 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.235 376 G C -0.922 174.008 174.900 0.050 0.000 1.286 376 G CA -0.152 44.939 45.100 -0.015 0.000 0.904 376 G HN 1.113 nan 8.290 nan 0.000 0.577 377 L N 1.230 122.494 121.223 0.068 0.000 2.326 377 L HA 0.534 4.874 4.340 -0.000 0.000 0.278 377 L C 1.430 178.430 176.870 0.217 0.000 1.092 377 L CA -0.760 54.146 54.840 0.109 0.000 0.810 377 L CB 1.061 43.172 42.059 0.088 0.000 1.153 377 L HN 0.696 nan 8.230 nan 0.000 0.439 378 I N -0.554 120.055 120.570 0.066 0.000 2.779 378 I HA 0.052 4.221 4.170 -0.000 0.000 0.285 378 I C 1.440 177.538 176.117 -0.032 0.000 1.134 378 I CA -0.394 60.854 61.300 -0.086 0.000 1.398 378 I CB 0.583 38.443 38.000 -0.234 0.000 1.404 378 I HN 0.832 nan 8.210 nan 0.000 0.587 379 E N 3.394 123.563 120.200 -0.052 0.000 2.153 379 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 379 E C 1.234 177.618 176.600 -0.359 0.000 0.988 379 E CA 1.465 57.784 56.400 -0.136 0.000 0.811 379 E CB -0.295 29.382 29.700 -0.039 0.000 0.746 379 E HN 0.869 nan 8.360 nan 0.000 0.466 380 E N 1.540 121.581 120.200 -0.264 0.000 2.208 380 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 380 E C 2.226 178.740 176.600 -0.143 0.000 0.988 380 E CA 0.877 57.127 56.400 -0.251 0.000 0.828 380 E CB -0.325 29.306 29.700 -0.115 0.000 0.763 380 E HN 0.283 nan 8.360 nan 0.000 0.478 381 V N 1.845 121.707 119.914 -0.086 0.000 2.488 381 V HA -0.081 4.038 4.120 -0.000 0.000 0.246 381 V C 2.657 178.760 176.094 0.014 0.000 1.046 381 V CA 1.442 63.724 62.300 -0.030 0.000 1.053 381 V CB -0.647 31.167 31.823 -0.016 0.000 0.679 381 V HN 0.379 nan 8.190 nan 0.000 0.458 382 A N 0.480 123.315 122.820 0.026 0.000 1.883 382 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 382 A C 2.323 180.009 177.584 0.170 0.000 1.186 382 A CA 2.053 54.184 52.037 0.155 0.000 0.624 382 A CB -0.775 18.266 19.000 0.069 0.000 0.822 382 A HN 0.583 nan 8.150 nan 0.000 0.444 383 A N -0.969 121.831 122.820 -0.033 0.000 2.216 383 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 383 A C 1.918 179.528 177.584 0.043 0.000 1.160 383 A CA 1.362 53.393 52.037 -0.011 0.000 0.725 383 A CB -0.313 18.521 19.000 -0.277 0.000 0.784 383 A HN 0.537 nan 8.150 nan 0.000 0.472 384 K N -0.458 119.953 120.400 0.018 0.000 2.400 384 K HA 0.018 4.338 4.320 -0.000 0.000 0.194 384 K C 0.549 177.127 176.600 -0.037 0.000 1.033 384 K CA 0.927 57.214 56.287 0.001 0.000 1.021 384 K CB 0.201 32.693 32.500 -0.014 0.000 0.808 384 K HN 0.641 nan 8.250 nan 0.000 0.505 385 E N -0.570 119.594 120.200 -0.060 0.000 2.601 385 E HA 0.142 4.492 4.350 -0.000 0.000 0.219 385 E C -0.687 175.541 176.600 -0.620 0.000 0.964 385 E CA -0.053 56.155 56.400 -0.319 0.000 1.050 385 E CB 0.640 30.118 29.700 -0.371 0.000 1.068 385 E HN -0.009 nan 8.360 nan 0.000 0.496 386 F N 0.508 120.481 119.950 0.037 0.000 2.596 386 F HA 0.209 4.735 4.527 -0.000 0.000 0.311 386 F C 1.209 177.054 175.800 0.076 0.000 1.116 386 F CA -0.896 57.138 58.000 0.057 0.000 0.957 386 F CB 1.958 40.999 39.000 0.068 0.000 1.250 386 F HN -0.238 nan 8.300 nan 0.000 0.444 387 E N 1.803 122.148 120.200 0.242 0.000 2.058 387 E HA -0.113 4.236 4.350 -0.000 0.000 0.194 387 E C -0.204 176.522 176.600 0.210 0.000 0.997 387 E CA 1.316 57.823 56.400 0.177 0.000 0.801 387 E CB 0.310 30.088 29.700 0.130 0.000 0.746 387 E HN 0.469 nan 8.360 nan 0.000 0.450 388 K N 0.580 121.127 120.400 0.245 0.000 2.358 388 K HA 0.400 4.720 4.320 -0.000 0.000 0.260 388 K C -1.384 175.394 176.600 0.297 0.000 0.956 388 K CA -0.535 55.914 56.287 0.270 0.000 0.834 388 K CB 2.844 35.504 32.500 0.266 0.000 1.102 388 K HN -0.141 nan 8.250 nan 0.000 0.431 389 V N 2.104 122.209 119.914 0.317 0.000 2.448 389 V HA 0.555 4.675 4.120 -0.000 0.000 0.295 389 V C -0.439 175.791 176.094 0.227 0.000 1.025 389 V CA -0.817 61.635 62.300 0.253 0.000 0.859 389 V CB 1.573 33.558 31.823 0.269 0.000 0.988 389 V HN 0.921 nan 8.190 nan 0.000 0.431 390 A N 4.494 127.364 122.820 0.083 0.000 2.325 390 A HA 0.898 5.217 4.320 -0.000 0.000 0.333 390 A C -0.863 176.565 177.584 -0.260 0.000 1.155 390 A CA -0.583 51.283 52.037 -0.284 0.000 0.814 390 A CB 1.684 20.432 19.000 -0.420 0.000 1.206 390 A HN 0.669 nan 8.150 nan 0.000 0.482 391 V N 2.476 122.017 119.914 -0.622 0.000 2.407 391 V HA 0.334 4.454 4.120 -0.000 0.000 0.291 391 V C -1.346 174.355 176.094 -0.656 0.000 1.018 391 V CA -0.274 61.708 62.300 -0.530 0.000 0.842 391 V CB 0.763 32.105 31.823 -0.800 0.000 0.996 391 V HN 0.785 nan 8.190 nan 0.000 0.426 392 Y N 4.904 125.022 120.300 -0.303 0.000 2.330 392 Y HA 0.734 5.284 4.550 -0.000 0.000 0.336 392 Y C 0.199 176.019 175.900 -0.132 0.000 1.036 392 Y CA -0.551 57.424 58.100 -0.209 0.000 1.125 392 Y CB 1.878 40.255 38.460 -0.138 0.000 1.194 392 Y HN 0.593 nan 8.280 nan 0.000 0.469 393 M N 3.244 122.870 119.600 0.042 0.000 2.324 393 M HA 0.515 4.995 4.480 -0.000 0.000 0.288 393 M C -1.590 174.787 176.300 0.128 0.000 1.097 393 M CA -0.332 55.012 55.300 0.073 0.000 0.928 393 M CB 1.739 34.371 32.600 0.053 0.000 1.648 393 M HN 0.554 nan 8.290 nan 0.000 0.460 394 S N 2.842 118.646 115.700 0.174 0.000 2.594 394 S HA 0.749 5.218 4.470 -0.000 0.000 0.296 394 S C -1.597 173.147 174.600 0.240 0.000 1.124 394 S CA -0.406 57.956 58.200 0.270 0.000 1.011 394 S CB 1.805 65.223 63.200 0.363 0.000 1.016 394 S HN 0.747 nan 8.310 nan 0.000 0.485 395 S N 4.215 120.069 115.700 0.256 0.000 2.672 395 S HA 0.875 5.345 4.470 -0.000 0.000 0.291 395 S C -1.416 173.305 174.600 0.202 0.000 1.145 395 S CA -0.641 57.615 58.200 0.092 0.000 1.013 395 S CB 0.223 63.467 63.200 0.073 0.000 1.017 395 S HN 0.901 nan 8.310 nan 0.000 0.487 396 F N -0.184 119.850 119.950 0.140 0.000 2.746 396 F HA 0.473 5.000 4.527 -0.000 0.000 0.311 396 F C -0.606 175.277 175.800 0.138 0.000 1.135 396 F CA -1.029 57.040 58.000 0.116 0.000 0.954 396 F CB 0.484 39.544 39.000 0.100 0.000 1.276 396 F HN 0.229 nan 8.300 nan 0.000 0.440 397 T N 4.175 118.875 114.554 0.243 0.000 2.799 397 T HA 0.318 4.667 4.350 -0.000 0.000 0.296 397 T C -2.412 172.537 174.700 0.415 0.000 0.947 397 T CA -0.632 61.599 62.100 0.218 0.000 1.141 397 T CB 0.215 69.179 68.868 0.160 0.000 0.891 397 T HN 0.382 nan 8.240 nan 0.000 0.533 398 P HA 0.072 nan 4.420 nan 0.000 0.269 398 P C 1.051 178.476 177.300 0.209 0.000 1.215 398 P CA -0.642 62.684 63.100 0.377 0.000 0.780 398 P CB 0.634 32.485 31.700 0.252 0.000 0.898 399 L N 3.758 125.064 121.223 0.138 0.000 2.021 399 L HA -0.215 4.125 4.340 -0.000 0.000 0.215 399 L C 2.476 179.391 176.870 0.075 0.000 1.074 399 L CA 2.361 57.252 54.840 0.084 0.000 0.760 399 L CB -1.592 40.495 42.059 0.048 0.000 0.889 399 L HN 0.514 nan 8.230 nan 0.000 0.433 400 M N -2.244 117.390 119.600 0.056 0.000 2.195 400 M HA -0.227 4.253 4.480 -0.000 0.000 0.260 400 M C 1.835 178.151 176.300 0.026 0.000 1.066 400 M CA 2.011 57.367 55.300 0.093 0.000 1.089 400 M CB -0.848 31.742 32.600 -0.016 0.000 1.377 400 M HN 0.233 nan 8.290 nan 0.000 0.411 401 H N 0.596 119.741 119.070 0.125 0.000 2.535 401 H HA 0.152 4.708 4.556 -0.000 0.000 0.273 401 H C 1.403 176.741 175.328 0.017 0.000 0.983 401 H CA 0.863 56.942 56.048 0.052 0.000 1.238 401 H CB -0.336 29.412 29.762 -0.023 0.000 1.412 401 H HN 0.581 nan 8.280 nan 0.000 0.562 402 N N 0.705 119.479 118.700 0.123 0.000 2.244 402 N HA -0.071 4.668 4.740 -0.000 0.000 0.183 402 N C 1.927 177.436 175.510 -0.001 0.000 1.016 402 N CA 0.583 53.667 53.050 0.058 0.000 0.866 402 N CB 0.146 38.662 38.487 0.049 0.000 0.980 402 N HN 0.345 nan 8.380 nan 0.000 0.430 403 I N 0.753 121.295 120.570 -0.047 0.000 2.400 403 I HA -0.165 4.004 4.170 -0.000 0.000 0.248 403 I C 2.385 178.367 176.117 -0.225 0.000 1.109 403 I CA 0.620 61.781 61.300 -0.231 0.000 1.425 403 I CB -0.206 37.500 38.000 -0.490 0.000 1.094 403 I HN 0.089 nan 8.210 nan 0.000 0.425 404 S N 0.549 116.251 115.700 0.003 0.000 2.419 404 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 404 S C 1.913 176.587 174.600 0.124 0.000 1.019 404 S CA 1.188 59.505 58.200 0.196 0.000 0.982 404 S CB -0.402 63.053 63.200 0.424 0.000 0.789 404 S HN 0.640 nan 8.310 nan 0.000 0.490 405 G N -0.039 108.809 108.800 0.080 0.000 2.213 405 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.236 405 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.236 405 G C 0.393 175.332 174.900 0.066 0.000 0.991 405 G CA 0.147 45.288 45.100 0.068 0.000 0.629 405 G HN 0.727 nan 8.290 nan 0.000 0.517 406 S N 1.184 116.890 115.700 0.011 0.000 4.183 406 S HA 0.331 4.800 4.470 -0.000 0.000 0.195 406 S C 1.494 175.827 174.600 -0.445 0.000 1.421 406 S CA 0.278 58.279 58.200 -0.331 0.000 0.920 406 S CB 0.726 63.573 63.200 -0.588 0.000 1.525 406 S HN 0.431 nan 8.310 nan 0.000 0.447 407 K N 1.042 121.373 120.400 -0.115 0.000 2.209 407 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 407 K C 1.441 178.010 176.600 -0.052 0.000 1.048 407 K CA 1.102 57.373 56.287 -0.027 0.000 0.940 407 K CB -0.353 32.184 32.500 0.062 0.000 0.729 407 K HN 0.784 nan 8.250 nan 0.000 0.451 408 Y N -0.312 119.982 120.300 -0.009 0.000 2.639 408 Y HA 0.056 4.606 4.550 -0.000 0.000 0.297 408 Y C -0.051 175.814 175.900 -0.058 0.000 1.151 408 Y CA 0.172 58.255 58.100 -0.028 0.000 1.335 408 Y CB -0.550 37.887 38.460 -0.039 0.000 0.994 408 Y HN -0.236 nan 8.280 nan 0.000 0.548 409 K N 2.901 122.989 120.400 -0.521 0.000 2.278 409 K HA 0.090 4.409 4.320 -0.000 0.000 0.237 409 K C -0.239 176.271 176.600 -0.150 0.000 1.229 409 K CA 0.045 56.090 56.287 -0.402 0.000 1.155 409 K CB 0.022 32.048 32.500 -0.790 0.000 1.590 409 K HN 0.316 nan 8.250 nan 0.000 0.290 410 K N 1.323 121.678 120.400 -0.075 0.000 2.326 410 K HA 0.075 4.395 4.320 -0.000 0.000 0.275 410 K C -0.204 176.319 176.600 -0.128 0.000 1.018 410 K CA -0.191 56.052 56.287 -0.072 0.000 0.962 410 K CB 0.542 33.013 32.500 -0.049 0.000 0.953 410 K HN 0.193 nan 8.250 nan 0.000 0.475 411 F N 2.763 122.475 119.950 -0.396 0.000 2.411 411 F HA 0.204 4.731 4.527 -0.000 0.000 0.350 411 F C -0.494 175.052 175.800 -0.423 0.000 1.114 411 F CA -0.666 57.078 58.000 -0.426 0.000 1.135 411 F CB 0.896 39.566 39.000 -0.548 0.000 1.120 411 F HN 0.068 nan 8.300 nan 0.000 0.495 412 V N 5.653 125.199 119.914 -0.612 0.000 2.409 412 V HA 0.753 4.873 4.120 -0.000 0.000 0.291 412 V C -0.334 175.614 176.094 -0.244 0.000 1.020 412 V CA -0.780 61.348 62.300 -0.287 0.000 0.848 412 V CB 1.063 32.770 31.823 -0.193 0.000 0.990 412 V HN 0.934 nan 8.190 nan 0.000 0.430 413 A N 5.077 127.924 122.820 0.045 0.000 2.319 413 A HA 0.838 5.158 4.320 -0.000 0.000 0.310 413 A C -0.465 177.173 177.584 0.090 0.000 1.152 413 A CA -0.728 51.381 52.037 0.120 0.000 0.783 413 A CB 1.060 20.231 19.000 0.286 0.000 1.184 413 A HN 0.776 nan 8.150 nan 0.000 0.474 414 K N 2.517 122.951 120.400 0.057 0.000 2.471 414 K HA 0.592 4.912 4.320 -0.000 0.000 0.252 414 K C -1.483 175.115 176.600 -0.004 0.000 0.938 414 K CA -0.267 56.061 56.287 0.068 0.000 0.796 414 K CB 2.283 34.861 32.500 0.129 0.000 1.161 414 K HN 0.676 nan 8.250 nan 0.000 0.425 415 I N 2.896 123.454 120.570 -0.020 0.000 2.378 415 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 415 I C -0.449 175.665 176.117 -0.005 0.000 0.992 415 I CA -1.243 59.979 61.300 -0.130 0.000 1.154 415 I CB 1.906 39.732 38.000 -0.290 0.000 1.315 415 I HN 0.155 nan 8.210 nan 0.000 0.448 416 V N 4.967 124.855 119.914 -0.045 0.000 2.370 416 V HA 0.451 4.571 4.120 -0.000 0.000 0.283 416 V C 0.344 176.424 176.094 -0.023 0.000 1.023 416 V CA -0.374 61.936 62.300 0.017 0.000 0.857 416 V CB 1.630 33.483 31.823 0.049 0.000 0.985 416 V HN 0.887 nan 8.190 nan 0.000 0.443 417 T N 0.818 115.393 114.554 0.035 0.000 2.932 417 T HA 0.422 4.772 4.350 -0.000 0.000 0.289 417 T C -0.203 174.454 174.700 -0.072 0.000 1.039 417 T CA -0.866 61.229 62.100 -0.007 0.000 1.024 417 T CB 1.646 70.583 68.868 0.114 0.000 1.090 417 T HN 0.457 nan 8.240 nan 0.000 0.496 418 N N 0.488 119.054 118.700 -0.223 0.000 2.399 418 N HA 0.050 4.790 4.740 -0.000 0.000 0.259 418 N C 0.566 176.091 175.510 0.026 0.000 1.160 418 N CA -0.016 52.883 53.050 -0.252 0.000 0.946 418 N CB 0.325 38.513 38.487 -0.498 0.000 1.156 418 N HN 0.854 nan 8.380 nan 0.000 0.489 419 H N 2.291 121.386 119.070 0.041 0.000 2.524 419 H HA 0.093 4.649 4.556 -0.000 0.000 0.282 419 H C 1.235 176.615 175.328 0.086 0.000 1.016 419 H CA 1.379 57.494 56.048 0.111 0.000 1.270 419 H CB 0.459 30.339 29.762 0.197 0.000 1.394 419 H HN 0.512 nan 8.280 nan 0.000 0.568 420 S N -0.061 115.656 115.700 0.028 0.000 2.382 420 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 420 S C 1.146 175.716 174.600 -0.050 0.000 1.027 420 S CA 1.499 59.688 58.200 -0.018 0.000 0.991 420 S CB -0.023 63.216 63.200 0.065 0.000 0.823 420 S HN 0.831 nan 8.310 nan 0.000 0.469 421 D N -1.634 118.749 120.400 -0.027 0.000 2.527 421 D HA 0.271 4.910 4.640 -0.000 0.000 0.224 421 D C 1.023 177.313 176.300 -0.017 0.000 1.217 421 D CA 0.543 54.531 54.000 -0.020 0.000 0.819 421 D CB -0.417 40.388 40.800 0.008 0.000 1.061 421 D HN 0.318 nan 8.370 nan 0.000 0.515 422 G N 0.414 109.208 108.800 -0.010 0.000 2.168 422 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.263 422 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.263 422 G C 0.403 175.306 174.900 0.006 0.000 0.977 422 G CA 0.577 45.693 45.100 0.027 0.000 0.659 422 G HN 0.444 nan 8.290 nan 0.000 0.533 423 T N 1.107 115.646 114.554 -0.026 0.000 2.853 423 T HA 0.382 4.732 4.350 -0.000 0.000 0.298 423 T C 0.892 175.551 174.700 -0.067 0.000 0.978 423 T CA -0.037 62.040 62.100 -0.037 0.000 1.152 423 T CB 1.902 70.737 68.868 -0.056 0.000 0.914 423 T HN 0.435 nan 8.240 nan 0.000 0.539 424 V N 6.050 125.942 119.914 -0.036 0.000 2.479 424 V HA 0.066 4.185 4.120 -0.000 0.000 0.281 424 V C 1.260 177.300 176.094 -0.090 0.000 1.031 424 V CA 0.297 62.549 62.300 -0.080 0.000 1.038 424 V CB 0.195 31.976 31.823 -0.070 0.000 0.981 424 V HN 0.819 nan 8.190 nan 0.000 0.478 425 L N 4.143 125.291 121.223 -0.125 0.000 2.470 425 L HA 0.485 4.825 4.340 -0.000 0.000 0.219 425 L C 1.062 177.885 176.870 -0.079 0.000 1.071 425 L CA 0.692 55.468 54.840 -0.107 0.000 0.850 425 L CB 0.123 42.083 42.059 -0.164 0.000 1.040 425 L HN 0.770 nan 8.230 nan 0.000 0.475 426 G N -0.459 108.263 108.800 -0.131 0.000 2.720 426 G HA2 0.559 4.519 3.960 -0.000 0.000 0.295 426 G HA3 0.559 4.519 3.960 -0.000 0.000 0.295 426 G C -1.901 172.721 174.900 -0.463 0.000 1.437 426 G CA -0.294 44.664 45.100 -0.237 0.000 0.886 426 G HN -0.276 nan 8.290 nan 0.000 0.509 427 V N 2.345 121.848 119.914 -0.685 0.000 2.686 427 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 427 V C -1.189 174.454 176.094 -0.752 0.000 1.065 427 V CA -0.934 61.002 62.300 -0.607 0.000 0.894 427 V CB 1.923 33.533 31.823 -0.355 0.000 1.004 427 V HN 0.832 nan 8.190 nan 0.000 0.424 428 H N 5.210 124.248 119.070 -0.052 0.000 2.782 428 H HA 0.691 5.247 4.556 -0.000 0.000 0.347 428 H C -1.204 174.085 175.328 -0.065 0.000 1.038 428 H CA -0.552 55.474 56.048 -0.037 0.000 1.255 428 H CB 2.368 32.120 29.762 -0.016 0.000 1.623 428 H HN 0.435 nan 8.280 nan 0.000 0.525 429 L N 3.403 124.626 121.223 -0.000 0.000 2.401 429 L HA 0.454 4.794 4.340 -0.000 0.000 0.266 429 L C -0.968 175.740 176.870 -0.269 0.000 0.991 429 L CA -0.957 53.788 54.840 -0.158 0.000 0.818 429 L CB 2.818 44.831 42.059 -0.078 0.000 1.321 429 L HN 0.260 nan 8.230 nan 0.000 0.413 430 L N 2.168 123.066 121.223 -0.542 0.000 2.436 430 L HA 1.005 5.345 4.340 -0.000 0.000 0.268 430 L C -0.308 176.044 176.870 -0.864 0.000 0.974 430 L CA 0.318 54.853 54.840 -0.509 0.000 0.826 430 L CB 1.977 43.825 42.059 -0.352 0.000 1.291 430 L HN 0.728 nan 8.230 nan 0.000 0.406 431 G N 2.535 111.056 108.800 -0.464 0.000 2.339 431 G HA2 0.076 4.036 3.960 -0.000 0.000 0.381 431 G HA3 0.076 4.036 3.960 -0.000 0.000 0.381 431 G C -1.854 173.122 174.900 0.128 0.000 1.400 431 G CA -0.883 44.114 45.100 -0.172 0.000 1.002 431 G HN 0.628 nan 8.290 nan 0.000 0.633 432 D N 0.263 120.812 120.400 0.249 0.000 2.533 432 D HA 0.400 5.040 4.640 -0.000 0.000 0.236 432 D C 1.532 177.966 176.300 0.225 0.000 1.137 432 D CA 2.128 56.245 54.000 0.195 0.000 0.867 432 D CB 0.887 41.803 40.800 0.194 0.000 1.170 432 D HN 1.964 nan 8.370 nan 0.000 0.474 433 G N 1.636 110.528 108.800 0.152 0.000 2.199 433 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.254 433 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.254 433 G C 1.256 176.237 174.900 0.134 0.000 0.982 433 G CA 0.835 46.017 45.100 0.137 0.000 0.632 433 G HN 0.727 nan 8.290 nan 0.000 0.529 434 A N 1.324 124.222 122.820 0.130 0.000 1.927 434 A HA 0.054 4.374 4.320 -0.000 0.000 0.220 434 A C 0.613 178.200 177.584 0.005 0.000 1.185 434 A CA 2.728 54.803 52.037 0.063 0.000 0.639 434 A CB -1.211 17.747 19.000 -0.072 0.000 0.820 434 A HN 0.494 nan 8.150 nan 0.000 0.451 435 P HA -0.099 nan 4.420 nan 0.000 0.220 435 P C 1.202 178.524 177.300 0.037 0.000 1.148 435 P CA 1.064 64.130 63.100 -0.055 0.000 0.803 435 P CB 0.041 31.660 31.700 -0.136 0.000 0.782 436 E N -0.376 119.865 120.200 0.069 0.000 2.051 436 E HA -0.047 4.303 4.350 -0.000 0.000 0.189 436 E C 2.135 178.771 176.600 0.061 0.000 0.979 436 E CA 0.825 57.267 56.400 0.070 0.000 0.803 436 E CB -0.787 28.957 29.700 0.072 0.000 0.761 436 E HN 0.309 nan 8.360 nan 0.000 0.451 437 I N 0.933 121.548 120.570 0.075 0.000 2.194 437 I HA -0.274 3.896 4.170 -0.000 0.000 0.246 437 I C 2.416 178.576 176.117 0.071 0.000 1.093 437 I CA 0.980 62.331 61.300 0.085 0.000 1.355 437 I CB -0.202 37.876 38.000 0.129 0.000 1.046 437 I HN 0.025 nan 8.210 nan 0.000 0.413 438 I N 0.239 120.840 120.570 0.051 0.000 3.251 438 I HA -0.178 3.991 4.170 -0.000 0.000 0.277 438 I C 2.259 178.395 176.117 0.032 0.000 1.268 438 I CA 0.841 62.162 61.300 0.036 0.000 1.449 438 I CB -0.205 37.799 38.000 0.006 0.000 1.083 438 I HN 0.167 nan 8.210 nan 0.000 0.464 439 Q N 1.272 121.092 119.800 0.033 0.000 2.020 439 Q HA -0.142 4.197 4.340 -0.000 0.000 0.202 439 Q C 2.216 178.231 176.000 0.024 0.000 0.982 439 Q CA 2.447 58.265 55.803 0.025 0.000 0.838 439 Q CB -0.497 28.256 28.738 0.025 0.000 0.899 439 Q HN 0.496 nan 8.270 nan 0.000 0.423 440 A N -0.468 122.369 122.820 0.029 0.000 2.015 440 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 440 A C 2.230 179.839 177.584 0.042 0.000 1.163 440 A CA 1.342 53.393 52.037 0.023 0.000 0.646 440 A CB -0.641 18.366 19.000 0.012 0.000 0.806 440 A HN 0.284 nan 8.150 nan 0.000 0.448 441 V N 0.042 120.005 119.914 0.082 0.000 2.332 441 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 441 V C 2.836 178.979 176.094 0.082 0.000 1.055 441 V CA 1.894 64.277 62.300 0.138 0.000 1.038 441 V CB -1.556 30.337 31.823 0.117 0.000 0.651 441 V HN 0.596 nan 8.190 nan 0.000 0.450 442 G N 0.130 108.952 108.800 0.037 0.000 2.469 442 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 442 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 442 G C 1.613 176.522 174.900 0.016 0.000 1.150 442 G CA 1.493 46.602 45.100 0.016 0.000 0.763 442 G HN 0.436 nan 8.290 nan 0.000 0.561 443 V N 0.316 120.239 119.914 0.014 0.000 2.453 443 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 443 V C 3.011 179.106 176.094 0.003 0.000 1.048 443 V CA 1.542 63.843 62.300 0.002 0.000 1.049 443 V CB -0.708 31.110 31.823 -0.008 0.000 0.672 443 V HN 0.499 nan 8.190 nan 0.000 0.457 444 C N -0.071 119.239 119.300 0.018 0.000 2.413 444 C HA -0.135 4.325 4.460 -0.000 0.000 0.276 444 C C 2.547 177.568 174.990 0.051 0.000 1.248 444 C CA 0.608 59.633 59.018 0.011 0.000 1.742 444 C CB -1.148 26.625 27.740 0.054 0.000 2.017 444 C HN 0.460 nan 8.230 nan 0.000 0.481 445 L N 0.690 121.955 121.223 0.069 0.000 2.362 445 L HA -0.031 4.308 4.340 -0.000 0.000 0.219 445 L C 2.441 179.327 176.870 0.027 0.000 1.134 445 L CA 1.594 56.464 54.840 0.050 0.000 0.807 445 L CB -0.741 41.336 42.059 0.030 0.000 0.927 445 L HN 0.343 nan 8.230 nan 0.000 0.447 446 R N -0.998 119.512 120.500 0.016 0.000 2.317 446 R HA 0.180 4.519 4.340 -0.000 0.000 0.208 446 R C 0.656 176.958 176.300 0.004 0.000 0.914 446 R CA 0.186 56.290 56.100 0.007 0.000 1.060 446 R CB 0.099 30.399 30.300 0.000 0.000 1.015 446 R HN 0.285 nan 8.270 nan 0.000 0.498 447 L N 1.472 122.695 121.223 0.001 0.000 3.062 447 L HA 0.164 4.504 4.340 -0.000 0.000 0.255 447 L C 0.355 177.225 176.870 0.001 0.000 1.274 447 L CA -0.284 54.552 54.840 -0.007 0.000 1.047 447 L CB -0.236 41.807 42.059 -0.027 0.000 1.402 447 L HN 0.266 nan 8.230 nan 0.000 0.550 448 N N 1.873 120.581 118.700 0.014 0.000 2.708 448 N HA -0.217 4.522 4.740 -0.000 0.000 0.251 448 N C 0.199 175.724 175.510 0.026 0.000 1.017 448 N CA 0.325 53.387 53.050 0.021 0.000 0.742 448 N CB 0.001 38.499 38.487 0.018 0.000 0.943 448 N HN 0.480 nan 8.380 nan 0.000 0.539 449 A N 1.119 123.964 122.820 0.042 0.000 2.498 449 A HA 0.282 4.602 4.320 -0.000 0.000 0.239 449 A C 0.435 178.081 177.584 0.104 0.000 1.068 449 A CA 0.345 52.419 52.037 0.062 0.000 0.766 449 A CB 0.481 19.540 19.000 0.097 0.000 1.003 449 A HN 0.521 nan 8.150 nan 0.000 0.497 450 K N 1.088 121.542 120.400 0.091 0.000 2.245 450 K HA 0.423 4.743 4.320 -0.000 0.000 0.234 450 K C 1.035 177.720 176.600 0.142 0.000 1.021 450 K CA -0.723 55.613 56.287 0.082 0.000 0.898 450 K CB 1.137 33.663 32.500 0.043 0.000 1.163 450 K HN 0.556 nan 8.250 nan 0.000 0.459 451 I N 1.048 121.643 120.570 0.042 0.000 2.286 451 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 451 I C 1.796 177.957 176.117 0.074 0.000 1.115 451 I CA 1.809 63.082 61.300 -0.046 0.000 1.392 451 I CB -0.137 37.670 38.000 -0.321 0.000 1.065 451 I HN 0.717 nan 8.210 nan 0.000 0.418 452 S N -0.553 115.194 115.700 0.078 0.000 2.428 452 S HA -0.136 4.333 4.470 -0.000 0.000 0.230 452 S C 1.697 176.371 174.600 0.123 0.000 1.014 452 S CA 1.002 59.277 58.200 0.125 0.000 0.957 452 S CB -0.684 62.565 63.200 0.082 0.000 0.784 452 S HN 0.498 nan 8.310 nan 0.000 0.499 453 D N 1.083 121.531 120.400 0.079 0.000 2.144 453 D HA -0.006 4.634 4.640 -0.000 0.000 0.200 453 D C 1.473 177.724 176.300 -0.082 0.000 0.978 453 D CA 0.937 54.924 54.000 -0.021 0.000 0.833 453 D CB -0.393 40.356 40.800 -0.084 0.000 0.961 453 D HN 0.447 nan 8.370 nan 0.000 0.470 454 F N 0.309 120.248 119.950 -0.019 0.000 2.075 454 F HA -0.190 4.337 4.527 -0.000 0.000 0.297 454 F C 2.470 178.260 175.800 -0.017 0.000 1.113 454 F CA 0.969 58.953 58.000 -0.027 0.000 1.218 454 F CB -0.735 38.235 39.000 -0.049 0.000 0.984 454 F HN -0.048 nan 8.300 nan 0.000 0.472 455 Y N 1.157 121.523 120.300 0.110 0.000 2.207 455 Y HA -0.244 4.305 4.550 -0.000 0.000 0.287 455 Y C 1.924 177.835 175.900 0.018 0.000 1.156 455 Y CA 1.651 59.778 58.100 0.045 0.000 1.182 455 Y CB -0.392 38.080 38.460 0.020 0.000 0.979 455 Y HN -0.017 nan 8.280 nan 0.000 0.521 456 N N -0.531 118.166 118.700 -0.006 0.000 2.398 456 N HA 0.002 4.742 4.740 -0.000 0.000 0.188 456 N C -0.087 175.354 175.510 -0.116 0.000 1.122 456 N CA 0.548 53.556 53.050 -0.069 0.000 0.866 456 N CB -0.056 38.448 38.487 0.029 0.000 0.970 456 N HN 0.138 nan 8.380 nan 0.000 0.462 457 T N 1.432 115.909 114.554 -0.129 0.000 2.897 457 T HA 0.330 4.680 4.350 -0.000 0.000 0.294 457 T C 0.865 175.483 174.700 -0.137 0.000 1.004 457 T CA -0.330 61.693 62.100 -0.129 0.000 1.106 457 T CB 1.247 70.027 68.868 -0.148 0.000 0.949 457 T HN -0.040 nan 8.240 nan 0.000 0.520 458 I N 2.681 123.185 120.570 -0.109 0.000 2.496 458 I HA 0.256 4.426 4.170 -0.000 0.000 0.285 458 I C 1.423 177.492 176.117 -0.078 0.000 1.080 458 I CA -0.165 61.074 61.300 -0.102 0.000 1.404 458 I CB 0.520 38.473 38.000 -0.079 0.000 1.403 458 I HN 0.654 nan 8.210 nan 0.000 0.539 459 G N 5.486 114.240 108.800 -0.078 0.000 2.594 459 G HA2 0.378 4.338 3.960 -0.000 0.000 0.243 459 G HA3 0.378 4.338 3.960 -0.000 0.000 0.243 459 G C -0.378 174.517 174.900 -0.008 0.000 1.229 459 G CA -0.437 44.640 45.100 -0.038 0.000 0.843 459 G HN 0.406 nan 8.290 nan 0.000 0.578 460 V N 1.630 121.553 119.914 0.015 0.000 2.383 460 V HA 0.318 4.438 4.120 -0.000 0.000 0.275 460 V C -0.199 175.943 176.094 0.080 0.000 1.036 460 V CA -0.561 61.757 62.300 0.030 0.000 0.889 460 V CB 0.825 32.653 31.823 0.010 0.000 0.985 460 V HN 0.854 nan 8.190 nan 0.000 0.459 461 H N 5.815 124.864 119.070 -0.036 0.000 2.538 461 H HA 0.775 5.331 4.556 -0.000 0.000 0.353 461 H C -2.584 172.725 175.328 -0.032 0.000 1.109 461 H CA -1.696 54.329 56.048 -0.037 0.000 1.192 461 H CB 2.165 31.903 29.762 -0.039 0.000 1.555 461 H HN 0.566 nan 8.280 nan 0.000 0.518 462 P HA 0.397 nan 4.420 nan 0.000 0.298 462 P C -1.429 175.751 177.300 -0.200 0.000 1.314 462 P CA -0.676 62.081 63.100 -0.572 0.000 0.854 462 P CB 1.761 33.006 31.700 -0.758 0.000 1.019 463 T N -2.630 111.864 114.554 -0.101 0.000 2.853 463 T HA 0.314 4.664 4.350 -0.000 0.000 0.311 463 T C 0.722 175.362 174.700 -0.099 0.000 1.307 463 T CA -0.574 61.476 62.100 -0.083 0.000 1.019 463 T CB 0.923 69.765 68.868 -0.045 0.000 1.264 463 T HN 0.011 nan 8.240 nan 0.000 0.497 464 S N 0.658 116.239 115.700 -0.198 0.000 2.368 464 S HA -0.014 4.455 4.470 -0.000 0.000 0.224 464 S C 2.537 176.997 174.600 -0.234 0.000 1.029 464 S CA 1.180 59.126 58.200 -0.424 0.000 0.988 464 S CB -0.888 61.679 63.200 -1.055 0.000 0.838 464 S HN 0.990 nan 8.310 nan 0.000 0.462 465 A N 2.304 125.070 122.820 -0.090 0.000 1.986 465 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 465 A C 2.045 179.664 177.584 0.057 0.000 1.171 465 A CA 1.889 53.944 52.037 0.031 0.000 0.640 465 A CB -0.762 18.267 19.000 0.048 0.000 0.811 465 A HN 0.797 nan 8.150 nan 0.000 0.451 466 E N -0.562 119.658 120.200 0.034 0.000 2.265 466 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 466 E C 1.246 177.887 176.600 0.069 0.000 0.996 466 E CA 1.010 57.439 56.400 0.048 0.000 0.832 466 E CB -0.299 29.430 29.700 0.049 0.000 0.756 466 E HN 0.527 nan 8.360 nan 0.000 0.491 467 E N 1.070 121.324 120.200 0.090 0.000 2.219 467 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 467 E C 2.124 178.811 176.600 0.144 0.000 0.998 467 E CA 0.838 57.327 56.400 0.148 0.000 0.818 467 E CB -0.165 29.696 29.700 0.269 0.000 0.741 467 E HN 0.496 nan 8.360 nan 0.000 0.477 468 L N -0.515 120.788 121.223 0.134 0.000 2.217 468 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 468 L C 1.985 178.959 176.870 0.173 0.000 1.107 468 L CA 0.580 55.491 54.840 0.118 0.000 0.783 468 L CB -0.059 42.091 42.059 0.151 0.000 0.919 468 L HN 0.108 nan 8.230 nan 0.000 0.442 469 C N -1.304 118.087 119.300 0.152 0.000 2.625 469 C HA 0.143 4.603 4.460 -0.000 0.000 0.285 469 C C 1.967 176.955 174.990 -0.003 0.000 1.279 469 C CA -0.049 59.023 59.018 0.091 0.000 1.698 469 C CB -0.901 26.845 27.740 0.010 0.000 1.821 469 C HN 0.321 nan 8.230 nan 0.000 0.600 470 S N 0.044 115.803 115.700 0.099 0.000 2.730 470 S HA 0.340 4.810 4.470 -0.000 0.000 0.244 470 S C 0.237 175.026 174.600 0.315 0.000 1.022 470 S CA -0.082 58.209 58.200 0.150 0.000 1.014 470 S CB 0.023 63.274 63.200 0.085 0.000 0.963 470 S HN 0.543 nan 8.310 nan 0.000 0.540 471 M N 1.467 121.249 119.600 0.303 0.000 2.101 471 M HA 0.429 4.909 4.480 -0.000 0.000 0.340 471 M C 0.956 177.371 176.300 0.192 0.000 1.057 471 M CA -0.205 55.240 55.300 0.242 0.000 0.984 471 M CB 1.509 34.211 32.600 0.170 0.000 1.560 471 M HN 0.029 nan 8.290 nan 0.000 0.435 472 R N 0.936 121.510 120.500 0.124 0.000 2.412 472 R HA 0.229 4.569 4.340 -0.000 0.000 0.212 472 R C -0.466 175.937 176.300 0.171 0.000 0.878 472 R CA 0.618 56.628 56.100 -0.150 0.000 1.022 472 R CB 0.972 30.898 30.300 -0.622 0.000 1.265 472 R HN 0.574 nan 8.270 nan 0.000 0.620 473 T N 3.274 117.942 114.554 0.189 0.000 2.809 473 T HA 0.416 4.766 4.350 -0.000 0.000 0.284 473 T C -2.740 171.787 174.700 -0.289 0.000 0.992 473 T CA -1.429 60.681 62.100 0.017 0.000 0.957 473 T CB 2.200 71.058 68.868 -0.017 0.000 0.942 473 T HN 0.008 nan 8.240 nan 0.000 0.439 474 P HA 0.221 nan 4.420 nan 0.000 0.267 474 P C 0.377 177.249 177.300 -0.714 0.000 1.200 474 P CA -0.068 62.265 63.100 -1.279 0.000 0.772 474 P CB 0.586 31.413 31.700 -1.455 0.000 0.855 475 S N 0.757 116.052 115.700 -0.674 0.000 2.439 475 S HA 0.089 4.558 4.470 -0.000 0.000 0.224 475 S C 0.232 174.680 174.600 -0.253 0.000 1.029 475 S CA 0.779 58.776 58.200 -0.340 0.000 0.946 475 S CB -0.489 62.575 63.200 -0.226 0.000 0.797 475 S HN 0.708 nan 8.310 nan 0.000 0.504 476 Y N -2.592 117.381 120.300 -0.545 0.000 2.952 476 Y HA 0.656 5.206 4.550 -0.000 0.000 0.346 476 Y C -1.824 173.578 175.900 -0.829 0.000 1.388 476 Y CA -2.049 55.755 58.100 -0.494 0.000 1.097 476 Y CB 0.598 38.906 38.460 -0.253 0.000 1.732 476 Y HN -0.090 nan 8.280 nan 0.000 0.431 477 Y N -0.950 119.366 120.300 0.027 0.000 2.625 477 Y HA 0.615 5.165 4.550 -0.000 0.000 0.338 477 Y C -1.653 174.155 175.900 -0.153 0.000 1.123 477 Y CA -1.458 56.605 58.100 -0.061 0.000 1.046 477 Y CB 2.102 40.505 38.460 -0.096 0.000 1.299 477 Y HN 0.549 nan 8.280 nan 0.000 0.464 478 Y N 0.843 121.295 120.300 0.254 0.000 2.334 478 Y HA 0.583 5.133 4.550 -0.000 0.000 0.336 478 Y C -0.617 175.385 175.900 0.171 0.000 0.960 478 Y CA -1.111 57.104 58.100 0.192 0.000 1.164 478 Y CB 1.491 40.046 38.460 0.159 0.000 1.155 478 Y HN 0.194 nan 8.280 nan 0.000 0.478 479 V N 4.427 124.471 119.914 0.217 0.000 2.350 479 V HA 0.200 4.320 4.120 -0.000 0.000 0.276 479 V C -0.226 175.957 176.094 0.150 0.000 1.028 479 V CA -1.668 60.726 62.300 0.156 0.000 0.860 479 V CB 0.942 32.809 31.823 0.073 0.000 0.990 479 V HN 0.809 nan 8.190 nan 0.000 0.453 480 K N 4.016 124.505 120.400 0.147 0.000 3.156 480 K HA -0.235 4.085 4.320 -0.000 0.000 0.266 480 K C 1.095 177.775 176.600 0.134 0.000 0.966 480 K CA 0.731 57.089 56.287 0.118 0.000 0.719 480 K CB -1.727 30.820 32.500 0.079 0.000 1.333 480 K HN 1.527 nan 8.250 nan 0.000 0.468 481 G N -0.384 108.530 108.800 0.190 0.000 2.184 481 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.264 481 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.264 481 G C -0.117 174.955 174.900 0.285 0.000 0.975 481 G CA 0.529 45.752 45.100 0.206 0.000 0.642 481 G HN 0.589 nan 8.290 nan 0.000 0.536 482 E N 0.486 120.829 120.200 0.238 0.000 2.156 482 E HA 0.504 4.854 4.350 -0.000 0.000 0.279 482 E C 0.222 176.854 176.600 0.052 0.000 0.965 482 E CA -0.837 55.653 56.400 0.150 0.000 0.789 482 E CB 0.516 30.260 29.700 0.073 0.000 1.098 482 E HN 0.251 nan 8.360 nan 0.000 0.397 483 K N 5.910 126.250 120.400 -0.099 0.000 2.339 483 K HA 0.225 4.545 4.320 -0.000 0.000 0.286 483 K C -0.496 175.939 176.600 -0.274 0.000 1.050 483 K CA -0.041 55.929 56.287 -0.527 0.000 0.956 483 K CB 0.383 32.568 32.500 -0.525 0.000 0.990 483 K HN 0.574 nan 8.250 nan 0.000 0.475 484 M N 1.919 121.389 119.600 -0.215 0.000 2.414 484 M HA 0.191 4.671 4.480 -0.000 0.000 0.287 484 M C -0.046 176.285 176.300 0.053 0.000 1.181 484 M CA -0.749 54.508 55.300 -0.071 0.000 0.933 484 M CB 1.878 34.461 32.600 -0.027 0.000 1.732 484 M HN 0.636 nan 8.290 nan 0.000 0.486 485 E N 1.845 122.069 120.200 0.039 0.000 2.268 485 E HA 0.087 4.437 4.350 -0.000 0.000 0.195 485 E C 0.152 176.882 176.600 0.217 0.000 0.995 485 E CA 1.945 58.411 56.400 0.111 0.000 0.836 485 E CB 0.311 30.034 29.700 0.037 0.000 0.763 485 E HN 0.716 nan 8.360 nan 0.000 0.491 486 K N -0.365 120.126 120.400 0.151 0.000 2.464 486 K HA 0.716 5.036 4.320 -0.000 0.000 0.253 486 K C -0.431 176.085 176.600 -0.141 0.000 0.933 486 K CA -0.051 56.272 56.287 0.059 0.000 0.801 486 K CB 0.657 33.168 32.500 0.018 0.000 1.271 486 K HN 0.328 nan 8.250 nan 0.000 0.430 487 L N 0.491 121.459 121.223 -0.424 0.000 2.472 487 L HA 0.921 5.260 4.340 -0.000 0.000 0.260 487 L C -0.314 176.435 176.870 -0.202 0.000 1.209 487 L CA -0.361 54.186 54.840 -0.489 0.000 0.817 487 L CB -0.753 40.896 42.059 -0.682 0.000 1.106 487 L HN 1.202 nan 8.230 nan 0.000 0.479 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.059 63.100 -0.069 0.000 0.800 488 P CB 0.000 31.677 31.700 -0.039 0.000 0.726