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 1ee0_1_A DATA FIRST_RESID 20 DATA SEQUENCE GLATILAIGT ATPPNCVAQA DYADYYFRVT KSEHMVDLKE KFKRICEKTA DATA SEQUENCE IKKRYLALTE DYLQENPTMC EFMAPSLNAR QDLVVTGVPM LGKEAAVKAI DATA SEQUENCE DEWGLPKSKI THLIFCTTAG VDMPGADYQL VKLLGLSPSV KRYMLYQQGX DATA SEQUENCE AAGGTVLRLA KDLAENNKGS RVLIVCSEIT AILFHGPNEN HLDSLVAQAL DATA SEQUENCE FGDGAAALIV GSGPHLAVER PIFEIVSTDQ TILPDTEKAM KLHLREGGLT DATA SEQUENCE FQLHRDVPLM VAKNIENAAE KALSPLGITD WNSVFWMVHP GGRAILDQVE DATA SEQUENCE RKLNLKEDKL RASRHVLSEY GNLISACVLF IIDEVRKRSM AEGKSTTGEG DATA SEQUENCE LDCGVLFGFG PGMTVETVVL RSVRVT 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 20 G HA2 0.000 nan 3.960 nan 0.000 0.244 20 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 20 G C 0.000 174.878 174.900 -0.037 0.000 0.946 20 G CA 0.000 45.080 45.100 -0.033 0.000 0.502 21 L N 1.098 122.301 121.223 -0.034 0.000 2.456 21 L HA 0.470 4.810 4.340 0.000 0.000 0.272 21 L C 1.431 178.276 176.870 -0.042 0.000 1.189 21 L CA -0.313 54.505 54.840 -0.036 0.000 0.846 21 L CB 0.876 42.919 42.059 -0.027 0.000 1.111 21 L HN 0.809 nan 8.230 nan 0.000 0.475 22 A N 2.950 125.738 122.820 -0.053 0.000 2.566 22 A HA 0.278 4.599 4.320 0.000 0.000 0.245 22 A C 0.211 177.769 177.584 -0.044 0.000 1.056 22 A CA 0.290 52.290 52.037 -0.062 0.000 0.757 22 A CB -0.385 18.567 19.000 -0.080 0.000 0.979 22 A HN 0.714 nan 8.150 nan 0.000 0.508 23 T N 3.221 117.748 114.554 -0.045 0.000 2.876 23 T HA 0.504 4.854 4.350 0.000 0.000 0.289 23 T C -0.021 174.659 174.700 -0.034 0.000 1.014 23 T CA -0.274 61.813 62.100 -0.023 0.000 0.986 23 T CB 1.112 69.966 68.868 -0.024 0.000 1.021 23 T HN 0.460 nan 8.240 nan 0.000 0.458 24 I N 3.421 123.992 120.570 0.001 0.000 2.396 24 I HA 0.178 4.348 4.170 0.000 0.000 0.289 24 I C 0.784 176.883 176.117 -0.030 0.000 1.056 24 I CA -0.070 61.224 61.300 -0.010 0.000 1.365 24 I CB 0.660 38.704 38.000 0.073 0.000 1.407 24 I HN 0.564 nan 8.210 nan 0.000 0.509 25 L N 6.343 127.523 121.223 -0.072 0.000 2.672 25 L HA 0.510 4.850 4.340 0.000 0.000 0.236 25 L C 0.597 177.451 176.870 -0.026 0.000 1.092 25 L CA 0.042 54.856 54.840 -0.044 0.000 0.887 25 L CB 0.208 42.235 42.059 -0.055 0.000 1.168 25 L HN 0.706 nan 8.230 nan 0.000 0.502 26 A N 0.594 123.369 122.820 -0.075 0.000 2.594 26 A HA 0.757 5.077 4.320 0.000 0.000 0.296 26 A C -1.477 176.068 177.584 -0.065 0.000 1.061 26 A CA -0.330 51.685 52.037 -0.037 0.000 0.689 26 A CB 1.381 20.387 19.000 0.010 0.000 1.280 26 A HN 0.029 nan 8.150 nan 0.000 0.406 27 I N 1.002 121.541 120.570 -0.053 0.000 2.569 27 I HA 0.633 4.803 4.170 0.000 0.000 0.290 27 I C 0.349 176.405 176.117 -0.101 0.000 1.088 27 I CA -0.610 60.641 61.300 -0.081 0.000 1.047 27 I CB 2.606 40.564 38.000 -0.070 0.000 1.237 27 I HN 0.844 nan 8.210 nan 0.000 0.421 28 G N 2.883 111.604 108.800 -0.132 0.000 2.566 28 G HA2 0.722 4.682 3.960 0.000 0.000 0.311 28 G HA3 0.722 4.682 3.960 0.000 0.000 0.311 28 G C -0.734 174.019 174.900 -0.245 0.000 1.322 28 G CA -0.450 44.562 45.100 -0.148 0.000 0.969 28 G HN 0.578 nan 8.290 nan 0.000 0.490 29 T N -1.529 112.836 114.554 -0.315 0.000 2.930 29 T HA 0.892 5.242 4.350 0.000 0.000 0.290 29 T C -0.253 174.308 174.700 -0.232 0.000 1.052 29 T CA -0.468 61.347 62.100 -0.475 0.000 1.017 29 T CB 2.230 70.416 68.868 -1.136 0.000 1.137 29 T HN 1.778 nan 8.240 nan 0.000 0.511 30 A N 1.050 123.805 122.820 -0.110 0.000 2.594 30 A HA 0.902 5.222 4.320 0.000 0.000 0.295 30 A C -0.226 177.396 177.584 0.063 0.000 1.071 30 A CA -0.701 51.322 52.037 -0.022 0.000 0.685 30 A CB 1.425 20.419 19.000 -0.011 0.000 1.285 30 A HN 1.587 nan 8.150 nan 0.000 0.405 31 T N -0.696 113.850 114.554 -0.013 0.000 2.896 31 T HA 0.817 5.167 4.350 0.000 0.000 0.297 31 T C -3.123 171.563 174.700 -0.023 0.000 1.108 31 T CA -1.866 60.216 62.100 -0.030 0.000 1.004 31 T CB 1.333 70.027 68.868 -0.290 0.000 1.159 31 T HN 0.367 nan 8.240 nan 0.000 0.499 32 P HA 0.170 nan 4.420 nan 0.000 0.269 32 P C -1.628 175.748 177.300 0.126 0.000 1.217 32 P CA -1.223 61.932 63.100 0.092 0.000 0.783 32 P CB 0.144 31.922 31.700 0.131 0.000 0.898 33 P HA -0.136 nan 4.420 nan 0.000 0.216 33 P C 0.270 177.698 177.300 0.213 0.000 1.153 33 P CA 1.223 64.406 63.100 0.139 0.000 0.844 33 P CB -0.176 31.574 31.700 0.084 0.000 0.787 34 N N 0.357 119.155 118.700 0.163 0.000 2.440 34 N HA -0.001 4.739 4.740 0.000 0.000 0.265 34 N C -1.148 174.432 175.510 0.117 0.000 1.239 34 N CA -0.040 53.075 53.050 0.109 0.000 0.909 34 N CB -0.360 38.164 38.487 0.061 0.000 1.066 34 N HN 0.011 nan 8.380 nan 0.000 0.474 35 C N 4.226 123.527 119.300 0.001 0.000 2.382 35 C HA 0.729 5.189 4.460 0.000 0.000 0.327 35 C C -0.751 174.131 174.990 -0.179 0.000 1.250 35 C CA -0.485 58.392 59.018 -0.234 0.000 1.707 35 C CB 0.087 27.660 27.740 -0.279 0.000 2.272 35 C HN 0.526 nan 8.230 nan 0.000 0.506 36 V N 5.745 125.550 119.914 -0.182 0.000 2.531 36 V HA 0.638 4.758 4.120 0.000 0.000 0.301 36 V C 0.573 176.626 176.094 -0.069 0.000 1.034 36 V CA -0.398 61.845 62.300 -0.095 0.000 0.865 36 V CB 1.438 33.252 31.823 -0.015 0.000 0.995 36 V HN 1.164 nan 8.190 nan 0.000 0.424 37 A N 3.126 125.918 122.820 -0.046 0.000 2.462 37 A HA 0.334 4.654 4.320 0.000 0.000 0.243 37 A C 1.055 178.658 177.584 0.031 0.000 1.076 37 A CA 0.027 52.040 52.037 -0.040 0.000 0.773 37 A CB 0.519 19.500 19.000 -0.031 0.000 1.010 37 A HN 0.919 nan 8.150 nan 0.000 0.493 38 Q N 2.335 122.128 119.800 -0.012 0.000 2.167 38 Q HA -0.065 4.275 4.340 0.000 0.000 0.202 38 Q C 1.918 177.942 176.000 0.040 0.000 0.970 38 Q CA 2.287 58.095 55.803 0.009 0.000 0.855 38 Q CB -0.336 28.353 28.738 -0.081 0.000 0.911 38 Q HN 0.921 nan 8.270 nan 0.000 0.438 39 A N 0.128 122.955 122.820 0.012 0.000 2.125 39 A HA -0.138 4.182 4.320 0.000 0.000 0.219 39 A C 1.125 178.742 177.584 0.056 0.000 1.156 39 A CA 1.683 53.729 52.037 0.016 0.000 0.671 39 A CB -0.198 18.800 19.000 -0.003 0.000 0.794 39 A HN 0.407 nan 8.150 nan 0.000 0.459 40 D N -2.887 117.567 120.400 0.091 0.000 2.407 40 D HA 0.068 4.708 4.640 0.000 0.000 0.208 40 D C 1.168 177.594 176.300 0.209 0.000 1.083 40 D CA 0.031 54.104 54.000 0.122 0.000 0.844 40 D CB -0.215 40.638 40.800 0.087 0.000 0.967 40 D HN 0.518 nan 8.370 nan 0.000 0.506 41 Y N 2.415 122.804 120.300 0.148 0.000 2.165 41 Y HA -0.236 4.314 4.550 0.000 0.000 0.286 41 Y C 2.357 178.537 175.900 0.468 0.000 1.155 41 Y CA 1.768 60.042 58.100 0.289 0.000 1.164 41 Y CB -0.069 38.505 38.460 0.191 0.000 0.978 41 Y HN -0.017 nan 8.280 nan 0.000 0.513 42 A N -0.049 123.034 122.820 0.438 0.000 1.883 42 A HA -0.227 4.093 4.320 0.000 0.000 0.217 42 A C 1.996 179.864 177.584 0.474 0.000 1.186 42 A CA 2.128 54.523 52.037 0.597 0.000 0.624 42 A CB -0.884 18.332 19.000 0.360 0.000 0.822 42 A HN 0.486 nan 8.150 nan 0.000 0.444 43 D N -1.815 118.748 120.400 0.271 0.000 2.117 43 D HA -0.152 4.488 4.640 0.000 0.000 0.197 43 D C 1.703 178.114 176.300 0.184 0.000 0.987 43 D CA 1.628 55.747 54.000 0.198 0.000 0.829 43 D CB -0.462 40.420 40.800 0.136 0.000 0.961 43 D HN 0.611 nan 8.370 nan 0.000 0.460 44 Y N 0.395 120.723 120.300 0.048 0.000 2.145 44 Y HA -0.312 4.239 4.550 0.000 0.000 0.286 44 Y C 2.326 178.207 175.900 -0.032 0.000 1.145 44 Y CA 1.530 59.612 58.100 -0.030 0.000 1.148 44 Y CB -0.776 37.606 38.460 -0.129 0.000 0.981 44 Y HN 0.014 nan 8.280 nan 0.000 0.507 45 Y N -0.444 119.649 120.300 -0.346 0.000 2.145 45 Y HA -0.253 4.297 4.550 0.000 0.000 0.286 45 Y C 1.908 177.608 175.900 -0.332 0.000 1.145 45 Y CA 2.088 59.948 58.100 -0.400 0.000 1.148 45 Y CB -1.011 37.297 38.460 -0.253 0.000 0.981 45 Y HN 0.126 nan 8.280 nan 0.000 0.507 46 F N 0.099 119.911 119.950 -0.231 0.000 2.407 46 F HA -0.032 4.495 4.527 0.000 0.000 0.299 46 F C 2.658 178.321 175.800 -0.228 0.000 1.097 46 F CA 1.357 59.197 58.000 -0.266 0.000 1.422 46 F CB -0.311 38.642 39.000 -0.078 0.000 1.067 46 F HN -0.019 nan 8.300 nan 0.000 0.539 47 R N 0.429 120.887 120.500 -0.069 0.000 2.055 47 R HA -0.089 4.251 4.340 0.000 0.000 0.226 47 R C 2.342 178.533 176.300 -0.180 0.000 1.135 47 R CA 1.702 57.751 56.100 -0.085 0.000 0.959 47 R CB -0.450 29.819 30.300 -0.051 0.000 0.854 47 R HN 0.257 nan 8.270 nan 0.000 0.431 48 V N -0.798 118.904 119.914 -0.353 0.000 2.759 48 V HA -0.079 4.041 4.120 0.000 0.000 0.256 48 V C 1.785 177.736 176.094 -0.238 0.000 1.080 48 V CA 1.992 64.100 62.300 -0.319 0.000 1.101 48 V CB -0.788 30.737 31.823 -0.498 0.000 0.698 48 V HN 0.484 nan 8.190 nan 0.000 0.477 49 T N -3.147 111.205 114.554 -0.336 0.000 3.144 49 T HA 0.227 4.578 4.350 0.000 0.000 0.249 49 T C 0.724 175.297 174.700 -0.212 0.000 1.089 49 T CA 0.079 61.996 62.100 -0.304 0.000 0.989 49 T CB -0.575 67.930 68.868 -0.604 0.000 0.992 49 T HN 0.621 nan 8.240 nan 0.000 0.540 50 K N 0.680 120.996 120.400 -0.140 0.000 3.148 50 K HA -0.132 4.188 4.320 0.000 0.000 0.267 50 K C 0.025 176.654 176.600 0.050 0.000 0.996 50 K CA 0.582 56.854 56.287 -0.025 0.000 0.737 50 K CB -2.054 30.445 32.500 -0.002 0.000 1.308 50 K HN 0.402 nan 8.250 nan 0.000 0.470 51 S N 0.083 115.759 115.700 -0.040 0.000 2.741 51 S HA 0.071 4.542 4.470 0.000 0.000 0.247 51 S C 0.964 175.517 174.600 -0.079 0.000 1.050 51 S CA -0.660 57.450 58.200 -0.150 0.000 1.025 51 S CB 0.507 63.531 63.200 -0.293 0.000 0.897 51 S HN 0.227 nan 8.310 nan 0.000 0.508 52 E N 1.923 122.167 120.200 0.073 0.000 2.160 52 E HA -0.195 4.155 4.350 0.000 0.000 0.195 52 E C 1.648 178.257 176.600 0.016 0.000 0.991 52 E CA 1.119 57.566 56.400 0.078 0.000 0.810 52 E CB -0.332 29.427 29.700 0.099 0.000 0.742 52 E HN 0.795 nan 8.360 nan 0.000 0.466 53 H N -0.412 118.689 119.070 0.052 0.000 2.521 53 H HA 0.039 4.595 4.556 0.000 0.000 0.286 53 H C 0.888 176.238 175.328 0.036 0.000 1.034 53 H CA 0.286 56.352 56.048 0.030 0.000 1.278 53 H CB -0.588 29.187 29.762 0.022 0.000 1.386 53 H HN 0.105 nan 8.280 nan 0.000 0.567 54 M N 2.187 121.582 119.600 -0.341 0.000 3.596 54 M HA 0.089 4.569 4.480 0.000 0.000 0.219 54 M C 0.951 177.176 176.300 -0.124 0.000 1.471 54 M CA -0.415 54.805 55.300 -0.133 0.000 1.644 54 M CB 0.851 33.425 32.600 -0.044 0.000 1.083 54 M HN -0.063 nan 8.290 nan 0.000 0.579 55 V N 0.611 120.463 119.914 -0.104 0.000 2.255 55 V HA -0.275 3.845 4.120 0.000 0.000 0.247 55 V C 1.694 177.705 176.094 -0.139 0.000 1.051 55 V CA 2.023 64.245 62.300 -0.130 0.000 1.018 55 V CB -0.343 31.442 31.823 -0.064 0.000 0.641 55 V HN 0.626 nan 8.190 nan 0.000 0.445 56 D N -0.418 119.934 120.400 -0.080 0.000 2.144 56 D HA -0.110 4.530 4.640 0.000 0.000 0.200 56 D C 1.924 178.193 176.300 -0.051 0.000 0.978 56 D CA 0.853 54.819 54.000 -0.057 0.000 0.833 56 D CB -0.282 40.502 40.800 -0.028 0.000 0.961 56 D HN 0.245 nan 8.370 nan 0.000 0.470 57 L N 1.065 122.268 121.223 -0.033 0.000 2.056 57 L HA -0.108 4.232 4.340 0.000 0.000 0.207 57 L C 2.161 179.003 176.870 -0.047 0.000 1.078 57 L CA 1.586 56.455 54.840 0.049 0.000 0.749 57 L CB -0.484 41.675 42.059 0.167 0.000 0.901 57 L HN -0.096 nan 8.230 nan 0.000 0.433 58 K N -0.851 119.245 120.400 -0.507 0.000 2.032 58 K HA -0.217 4.103 4.320 0.000 0.000 0.209 58 K C 2.003 178.420 176.600 -0.304 0.000 1.048 58 K CA 1.532 57.226 56.287 -0.989 0.000 0.927 58 K CB -0.007 31.846 32.500 -1.079 0.000 0.712 58 K HN 0.201 nan 8.250 nan 0.000 0.441 59 E N 0.845 120.932 120.200 -0.187 0.000 2.085 59 E HA -0.226 4.124 4.350 0.000 0.000 0.194 59 E C 1.892 178.474 176.600 -0.030 0.000 0.994 59 E CA 1.467 57.815 56.400 -0.088 0.000 0.801 59 E CB -0.106 29.553 29.700 -0.069 0.000 0.743 59 E HN 0.343 nan 8.360 nan 0.000 0.453 60 K N 0.083 120.486 120.400 0.005 0.000 2.097 60 K HA -0.122 4.198 4.320 0.000 0.000 0.205 60 K C 1.992 178.660 176.600 0.113 0.000 1.050 60 K CA 0.878 57.193 56.287 0.047 0.000 0.938 60 K CB -0.503 32.032 32.500 0.057 0.000 0.718 60 K HN -0.007 nan 8.250 nan 0.000 0.442 61 F N 1.863 121.833 119.950 0.032 0.000 2.216 61 F HA -0.036 4.491 4.527 0.000 0.000 0.300 61 F C 1.558 177.393 175.800 0.058 0.000 1.085 61 F CA 1.456 59.516 58.000 0.100 0.000 1.326 61 F CB 0.011 39.218 39.000 0.344 0.000 1.027 61 F HN 0.012 nan 8.300 nan 0.000 0.497 62 K N -0.318 120.072 120.400 -0.017 0.000 2.097 62 K HA -0.131 4.189 4.320 0.000 0.000 0.205 62 K C 2.207 178.728 176.600 -0.130 0.000 1.050 62 K CA 1.278 57.506 56.287 -0.097 0.000 0.938 62 K CB -0.144 32.330 32.500 -0.044 0.000 0.718 62 K HN 0.230 nan 8.250 nan 0.000 0.442 63 R N 0.627 121.072 120.500 -0.091 0.000 2.073 63 R HA -0.092 4.249 4.340 0.000 0.000 0.234 63 R C 2.339 178.565 176.300 -0.123 0.000 1.134 63 R CA 1.363 57.411 56.100 -0.087 0.000 0.952 63 R CB -0.474 29.794 30.300 -0.054 0.000 0.850 63 R HN 0.178 nan 8.270 nan 0.000 0.433 64 I N 0.271 120.750 120.570 -0.152 0.000 2.179 64 I HA -0.341 3.829 4.170 0.000 0.000 0.242 64 I C 2.478 178.436 176.117 -0.264 0.000 1.088 64 I CA 1.113 62.304 61.300 -0.183 0.000 1.357 64 I CB -0.316 37.590 38.000 -0.156 0.000 1.051 64 I HN 0.241 nan 8.210 nan 0.000 0.409 65 C N 0.228 119.285 119.300 -0.404 0.000 2.425 65 C HA -0.152 4.308 4.460 0.000 0.000 0.277 65 C C 2.820 177.684 174.990 -0.211 0.000 1.280 65 C CA 0.725 59.525 59.018 -0.363 0.000 1.744 65 C CB -0.941 26.560 27.740 -0.398 0.000 1.989 65 C HN 0.512 nan 8.230 nan 0.000 0.491 66 E N 1.232 121.331 120.200 -0.169 0.000 2.110 66 E HA -0.185 4.165 4.350 0.000 0.000 0.193 66 E C 1.951 178.486 176.600 -0.108 0.000 0.988 66 E CA 1.159 57.490 56.400 -0.115 0.000 0.804 66 E CB -0.177 29.470 29.700 -0.089 0.000 0.745 66 E HN 0.496 nan 8.360 nan 0.000 0.458 67 K N 0.153 120.483 120.400 -0.116 0.000 2.283 67 K HA -0.064 4.256 4.320 0.000 0.000 0.202 67 K C 2.198 178.733 176.600 -0.108 0.000 1.048 67 K CA 1.365 57.592 56.287 -0.100 0.000 0.948 67 K CB -0.546 31.897 32.500 -0.096 0.000 0.742 67 K HN 0.339 nan 8.250 nan 0.000 0.458 68 T N -1.129 113.343 114.554 -0.135 0.000 2.881 68 T HA -0.044 4.306 4.350 0.000 0.000 0.270 68 T C 1.160 175.789 174.700 -0.118 0.000 1.068 68 T CA 1.059 63.073 62.100 -0.142 0.000 1.131 68 T CB -0.320 68.438 68.868 -0.183 0.000 0.871 68 T HN 0.239 nan 8.240 nan 0.000 0.479 69 A N 0.444 123.202 122.820 -0.102 0.000 2.869 69 A HA -0.081 4.239 4.320 0.000 0.000 0.280 69 A C 0.217 177.744 177.584 -0.096 0.000 1.458 69 A CA 0.782 52.769 52.037 -0.085 0.000 0.776 69 A CB -2.695 16.265 19.000 -0.066 0.000 1.028 69 A HN 0.729 nan 8.150 nan 0.000 0.547 70 I N -0.824 119.677 120.570 -0.114 0.000 2.378 70 I HA 0.318 4.489 4.170 0.000 0.000 0.291 70 I C 1.091 177.135 176.117 -0.123 0.000 0.992 70 I CA -0.341 60.885 61.300 -0.125 0.000 1.154 70 I CB 1.753 39.666 38.000 -0.146 0.000 1.315 70 I HN 0.392 nan 8.210 nan 0.000 0.448 71 K N 6.169 126.490 120.400 -0.132 0.000 2.128 71 K HA 0.120 4.440 4.320 0.000 0.000 0.202 71 K C 0.081 176.596 176.600 -0.142 0.000 1.050 71 K CA 0.864 57.076 56.287 -0.126 0.000 0.966 71 K CB 0.505 32.926 32.500 -0.131 0.000 0.759 71 K HN 0.676 nan 8.250 nan 0.000 0.454 72 K N -0.717 119.572 120.400 -0.186 0.000 2.579 72 K HA 0.418 4.738 4.320 0.000 0.000 0.284 72 K C -1.402 175.043 176.600 -0.258 0.000 0.990 72 K CA -1.086 55.062 56.287 -0.230 0.000 0.880 72 K CB 1.807 34.116 32.500 -0.318 0.000 1.488 72 K HN -0.157 nan 8.250 nan 0.000 0.425 73 R N 0.733 121.065 120.500 -0.279 0.000 2.725 73 R HA 0.348 4.688 4.340 0.000 0.000 0.277 73 R C -1.466 174.672 176.300 -0.271 0.000 0.987 73 R CA -0.894 55.097 56.100 -0.181 0.000 0.901 73 R CB 1.683 31.928 30.300 -0.091 0.000 1.207 73 R HN 0.517 nan 8.270 nan 0.000 0.463 74 Y N 2.280 122.620 120.300 0.067 0.000 2.320 74 Y HA 0.444 4.994 4.550 0.000 0.000 0.334 74 Y C 0.022 175.967 175.900 0.075 0.000 1.055 74 Y CA -0.489 57.656 58.100 0.076 0.000 1.143 74 Y CB 1.099 39.633 38.460 0.124 0.000 1.193 74 Y HN 0.183 nan 8.280 nan 0.000 0.477 75 L N 2.479 123.812 121.223 0.183 0.000 2.409 75 L HA 0.523 4.863 4.340 0.000 0.000 0.272 75 L C 0.632 177.561 176.870 0.098 0.000 0.980 75 L CA -0.726 54.195 54.840 0.134 0.000 0.826 75 L CB 2.136 44.269 42.059 0.122 0.000 1.268 75 L HN 0.796 nan 8.230 nan 0.000 0.407 76 A N 3.648 126.511 122.820 0.070 0.000 2.016 76 A HA 0.098 4.418 4.320 0.000 0.000 0.217 76 A C 0.912 178.474 177.584 -0.037 0.000 1.162 76 A CA 0.448 52.496 52.037 0.019 0.000 0.662 76 A CB 0.027 19.027 19.000 -0.000 0.000 0.812 76 A HN 0.592 nan 8.150 nan 0.000 0.450 77 L N 2.355 123.560 121.223 -0.029 0.000 2.477 77 L HA 0.153 4.493 4.340 0.000 0.000 0.272 77 L C 0.630 177.500 176.870 -0.000 0.000 1.157 77 L CA 0.113 54.915 54.840 -0.063 0.000 0.889 77 L CB 0.741 42.752 42.059 -0.081 0.000 1.158 77 L HN 0.511 nan 8.230 nan 0.000 0.473 78 T N -0.407 114.165 114.554 0.031 0.000 2.952 78 T HA 0.196 4.546 4.350 0.000 0.000 0.286 78 T C 0.772 175.551 174.700 0.131 0.000 1.024 78 T CA -0.730 61.421 62.100 0.085 0.000 1.029 78 T CB 1.749 70.667 68.868 0.084 0.000 1.094 78 T HN 0.695 nan 8.240 nan 0.000 0.515 79 E N 0.169 120.466 120.200 0.162 0.000 2.110 79 E HA -0.197 4.153 4.350 0.000 0.000 0.193 79 E C 1.007 177.666 176.600 0.098 0.000 0.988 79 E CA 1.498 57.995 56.400 0.163 0.000 0.804 79 E CB -0.110 29.718 29.700 0.213 0.000 0.745 79 E HN 0.690 nan 8.360 nan 0.000 0.458 80 D N -0.441 120.020 120.400 0.102 0.000 2.117 80 D HA -0.165 4.476 4.640 0.000 0.000 0.198 80 D C 1.525 177.874 176.300 0.082 0.000 0.982 80 D CA 0.864 54.911 54.000 0.079 0.000 0.828 80 D CB -0.430 40.419 40.800 0.082 0.000 0.967 80 D HN 0.263 nan 8.370 nan 0.000 0.464 81 Y N 1.029 121.327 120.300 -0.004 0.000 2.207 81 Y HA -0.122 4.428 4.550 0.000 0.000 0.287 81 Y C 2.116 177.995 175.900 -0.034 0.000 1.156 81 Y CA 1.195 59.284 58.100 -0.018 0.000 1.182 81 Y CB -0.213 38.233 38.460 -0.024 0.000 0.979 81 Y HN -0.046 nan 8.280 nan 0.000 0.521 82 L N -0.566 120.679 121.223 0.038 0.000 2.141 82 L HA -0.236 4.104 4.340 0.000 0.000 0.209 82 L C 2.346 179.174 176.870 -0.070 0.000 1.094 82 L CA 1.349 56.162 54.840 -0.045 0.000 0.763 82 L CB -0.454 41.569 42.059 -0.059 0.000 0.908 82 L HN 0.276 nan 8.230 nan 0.000 0.437 83 Q N -0.348 119.423 119.800 -0.049 0.000 2.172 83 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 83 Q C 1.891 177.843 176.000 -0.080 0.000 0.964 83 Q CA 1.071 56.844 55.803 -0.049 0.000 0.855 83 Q CB 0.126 28.851 28.738 -0.021 0.000 0.918 83 Q HN 0.547 nan 8.270 nan 0.000 0.444 84 E N 0.400 120.523 120.200 -0.128 0.000 2.285 84 E HA -0.064 4.287 4.350 0.000 0.000 0.194 84 E C -0.021 176.448 176.600 -0.218 0.000 0.997 84 E CA 0.509 56.809 56.400 -0.168 0.000 0.845 84 E CB 0.141 29.719 29.700 -0.203 0.000 0.782 84 E HN 0.275 nan 8.360 nan 0.000 0.491 85 N N 1.040 119.580 118.700 -0.267 0.000 2.813 85 N HA 0.073 4.813 4.740 0.000 0.000 0.282 85 N C -2.147 173.294 175.510 -0.116 0.000 1.748 85 N CA -0.903 52.010 53.050 -0.229 0.000 0.860 85 N CB 1.293 39.539 38.487 -0.401 0.000 1.204 85 N HN -0.003 nan 8.380 nan 0.000 0.490 86 P HA -0.176 nan 4.420 nan 0.000 0.222 86 P C 1.204 178.501 177.300 -0.004 0.000 1.147 86 P CA 1.257 64.336 63.100 -0.035 0.000 0.790 86 P CB 0.073 31.754 31.700 -0.032 0.000 0.780 87 T N -3.989 110.561 114.554 -0.007 0.000 3.007 87 T HA -0.029 4.321 4.350 0.000 0.000 0.270 87 T C 1.881 176.609 174.700 0.046 0.000 1.107 87 T CA 0.599 62.708 62.100 0.014 0.000 1.118 87 T CB -1.018 67.853 68.868 0.004 0.000 0.889 87 T HN 0.016 nan 8.240 nan 0.000 0.506 88 M N 0.347 119.985 119.600 0.063 0.000 2.279 88 M HA 0.009 4.489 4.480 0.000 0.000 0.264 88 M C 1.779 178.219 176.300 0.234 0.000 1.062 88 M CA 0.991 56.377 55.300 0.143 0.000 1.099 88 M CB -0.457 32.228 32.600 0.142 0.000 1.394 88 M HN 0.417 nan 8.290 nan 0.000 0.426 89 C N 0.056 119.458 119.300 0.170 0.000 2.799 89 C HA 0.122 4.583 4.460 0.000 0.000 0.267 89 C C 0.561 175.590 174.990 0.066 0.000 1.257 89 C CA -0.358 58.750 59.018 0.150 0.000 1.702 89 C CB -1.187 26.597 27.740 0.074 0.000 1.934 89 C HN 0.378 nan 8.230 nan 0.000 0.594 90 E N 0.745 120.989 120.200 0.073 0.000 2.081 90 E HA 0.233 4.583 4.350 0.000 0.000 0.281 90 E C -0.587 176.072 176.600 0.099 0.000 0.986 90 E CA -0.438 56.006 56.400 0.073 0.000 0.796 90 E CB 0.631 30.360 29.700 0.048 0.000 1.085 90 E HN 0.319 nan 8.360 nan 0.000 0.398 91 F N 4.997 124.943 119.950 -0.006 0.000 2.569 91 F HA -0.133 4.394 4.527 0.000 0.000 0.395 91 F C 0.823 176.605 175.800 -0.029 0.000 1.028 91 F CA 0.498 58.483 58.000 -0.024 0.000 1.158 91 F CB 0.170 39.130 39.000 -0.068 0.000 1.023 91 F HN 0.593 nan 8.300 nan 0.000 0.547 92 M N 3.054 122.368 119.600 -0.477 0.000 2.872 92 M HA -0.249 4.231 4.480 0.000 0.000 0.183 92 M C 0.324 176.561 176.300 -0.105 0.000 0.631 92 M CA 1.009 56.114 55.300 -0.325 0.000 0.672 92 M CB -2.696 29.709 32.600 -0.325 0.000 2.432 92 M HN 0.640 nan 8.290 nan 0.000 0.376 93 A N 1.602 124.397 122.820 -0.042 0.000 2.406 93 A HA 0.541 4.861 4.320 0.000 0.000 0.243 93 A C -1.622 175.952 177.584 -0.015 0.000 1.082 93 A CA -0.653 51.378 52.037 -0.011 0.000 0.786 93 A CB -0.301 18.704 19.000 0.009 0.000 1.029 93 A HN 0.267 nan 8.150 nan 0.000 0.495 94 P HA 0.086 nan 4.420 nan 0.000 0.266 94 P C 0.111 177.412 177.300 0.002 0.000 1.215 94 P CA 0.580 63.675 63.100 -0.007 0.000 0.763 94 P CB 0.933 32.628 31.700 -0.008 0.000 0.806 95 S N 1.329 117.035 115.700 0.010 0.000 2.702 95 S HA -0.002 4.468 4.470 0.000 0.000 0.257 95 S C 1.134 175.752 174.600 0.030 0.000 0.981 95 S CA -0.324 57.889 58.200 0.022 0.000 1.414 95 S CB -0.808 62.416 63.200 0.040 0.000 1.239 95 S HN 0.216 nan 8.310 nan 0.000 0.676 96 L N 3.364 124.599 121.223 0.019 0.000 2.042 96 L HA 0.044 4.384 4.340 0.000 0.000 0.210 96 L C 1.772 178.654 176.870 0.021 0.000 1.076 96 L CA 2.206 57.056 54.840 0.016 0.000 0.749 96 L CB -1.196 40.864 42.059 0.001 0.000 0.893 96 L HN 0.477 nan 8.230 nan 0.000 0.432 97 N N -0.701 118.008 118.700 0.017 0.000 2.120 97 N HA -0.185 4.555 4.740 0.000 0.000 0.188 97 N C 1.836 177.375 175.510 0.048 0.000 1.024 97 N CA 1.048 54.110 53.050 0.020 0.000 0.852 97 N CB -0.270 38.222 38.487 0.010 0.000 1.003 97 N HN 0.524 nan 8.380 nan 0.000 0.424 98 A N 1.990 124.844 122.820 0.056 0.000 1.902 98 A HA -0.146 4.174 4.320 0.000 0.000 0.217 98 A C 2.143 179.852 177.584 0.209 0.000 1.181 98 A CA 1.173 53.277 52.037 0.112 0.000 0.623 98 A CB -0.424 18.601 19.000 0.042 0.000 0.818 98 A HN 0.231 nan 8.150 nan 0.000 0.443 99 R N -0.799 119.781 120.500 0.133 0.000 2.080 99 R HA -0.145 4.195 4.340 0.000 0.000 0.236 99 R C 2.456 178.795 176.300 0.063 0.000 1.137 99 R CA 1.527 57.688 56.100 0.103 0.000 0.943 99 R CB -0.424 29.910 30.300 0.058 0.000 0.846 99 R HN 0.530 nan 8.270 nan 0.000 0.431 100 Q N 0.705 120.531 119.800 0.044 0.000 2.084 100 Q HA -0.162 4.179 4.340 0.000 0.000 0.202 100 Q C 1.628 177.648 176.000 0.033 0.000 0.978 100 Q CA 1.359 57.174 55.803 0.019 0.000 0.844 100 Q CB -0.237 28.503 28.738 0.003 0.000 0.898 100 Q HN 0.353 nan 8.270 nan 0.000 0.426 101 D N 0.682 121.123 120.400 0.068 0.000 2.218 101 D HA -0.120 4.520 4.640 0.000 0.000 0.204 101 D C 1.910 178.245 176.300 0.059 0.000 0.976 101 D CA 0.463 54.512 54.000 0.081 0.000 0.853 101 D CB -0.091 40.788 40.800 0.131 0.000 0.939 101 D HN 0.192 nan 8.370 nan 0.000 0.481 102 L N 0.566 121.801 121.223 0.020 0.000 2.034 102 L HA -0.114 4.226 4.340 0.000 0.000 0.203 102 L C 2.312 179.140 176.870 -0.070 0.000 1.074 102 L CA 1.017 55.771 54.840 -0.142 0.000 0.748 102 L CB -0.135 41.700 42.059 -0.373 0.000 0.905 102 L HN -0.004 nan 8.230 nan 0.000 0.439 103 V N -3.700 116.198 119.914 -0.028 0.000 2.871 103 V HA -0.065 4.055 4.120 0.000 0.000 0.256 103 V C 2.213 178.323 176.094 0.026 0.000 1.082 103 V CA 1.029 63.331 62.300 0.004 0.000 1.105 103 V CB -0.309 31.526 31.823 0.021 0.000 0.713 103 V HN 0.255 nan 8.190 nan 0.000 0.473 104 V N 2.559 122.484 119.914 0.019 0.000 2.515 104 V HA -0.193 3.927 4.120 0.000 0.000 0.250 104 V C 2.897 179.006 176.094 0.025 0.000 1.058 104 V CA 2.706 65.020 62.300 0.024 0.000 1.064 104 V CB -0.754 31.077 31.823 0.013 0.000 0.675 104 V HN 0.868 nan 8.190 nan 0.000 0.461 105 T N -3.011 111.555 114.554 0.019 0.000 3.010 105 T HA 0.081 4.431 4.350 0.000 0.000 0.252 105 T C 1.974 176.689 174.700 0.026 0.000 1.047 105 T CA 0.944 63.056 62.100 0.020 0.000 1.140 105 T CB -0.230 68.647 68.868 0.016 0.000 0.885 105 T HN 0.393 nan 8.240 nan 0.000 0.464 106 G N 1.345 110.156 108.800 0.018 0.000 2.418 106 G HA2 -0.102 3.858 3.960 0.000 0.000 0.217 106 G HA3 -0.102 3.858 3.960 0.000 0.000 0.217 106 G C 1.585 176.526 174.900 0.069 0.000 1.158 106 G CA 0.875 45.991 45.100 0.026 0.000 0.771 106 G HN 0.428 nan 8.290 nan 0.000 0.545 107 V N 2.390 122.361 119.914 0.094 0.000 2.261 107 V HA -0.099 4.021 4.120 0.000 0.000 0.246 107 V C 0.508 176.753 176.094 0.252 0.000 1.047 107 V CA 2.380 64.785 62.300 0.176 0.000 1.015 107 V CB -0.878 31.066 31.823 0.202 0.000 0.642 107 V HN 0.331 nan 8.190 nan 0.000 0.446 108 P HA -0.186 nan 4.420 nan 0.000 0.217 108 P C 1.805 179.201 177.300 0.159 0.000 1.150 108 P CA 1.622 64.821 63.100 0.165 0.000 0.832 108 P CB -0.122 31.555 31.700 -0.038 0.000 0.787 109 M N -0.433 119.225 119.600 0.097 0.000 2.099 109 M HA -0.080 4.401 4.480 0.000 0.000 0.262 109 M C 2.000 178.347 176.300 0.077 0.000 1.067 109 M CA 1.552 56.894 55.300 0.070 0.000 1.124 109 M CB -1.572 31.055 32.600 0.046 0.000 1.353 109 M HN -0.174 nan 8.290 nan 0.000 0.410 110 L N 0.024 121.299 121.223 0.088 0.000 2.083 110 L HA 0.034 4.374 4.340 0.000 0.000 0.209 110 L C 2.157 179.073 176.870 0.077 0.000 1.083 110 L CA 2.272 57.159 54.840 0.077 0.000 0.752 110 L CB -1.414 40.696 42.059 0.084 0.000 0.899 110 L HN 0.424 nan 8.230 nan 0.000 0.433 111 G N -1.020 107.853 108.800 0.121 0.000 2.408 111 G HA2 -0.274 3.687 3.960 0.000 0.000 0.217 111 G HA3 -0.274 3.687 3.960 0.000 0.000 0.217 111 G C 1.699 176.635 174.900 0.059 0.000 1.150 111 G CA 0.676 45.815 45.100 0.065 0.000 0.776 111 G HN 0.398 nan 8.290 nan 0.000 0.542 112 K N 0.614 121.072 120.400 0.096 0.000 2.097 112 K HA -0.093 4.227 4.320 0.000 0.000 0.206 112 K C 2.302 178.920 176.600 0.031 0.000 1.049 112 K CA 1.413 57.737 56.287 0.062 0.000 0.933 112 K CB -0.157 32.378 32.500 0.058 0.000 0.717 112 K HN 0.396 nan 8.250 nan 0.000 0.442 113 E N -0.081 120.135 120.200 0.027 0.000 2.106 113 E HA -0.156 4.194 4.350 0.000 0.000 0.192 113 E C 1.899 178.493 176.600 -0.010 0.000 0.984 113 E CA 1.040 57.446 56.400 0.010 0.000 0.806 113 E CB -0.058 29.649 29.700 0.012 0.000 0.750 113 E HN 0.393 nan 8.360 nan 0.000 0.458 114 A N 1.358 124.166 122.820 -0.020 0.000 1.897 114 A HA -0.029 4.291 4.320 0.000 0.000 0.215 114 A C 2.379 179.931 177.584 -0.052 0.000 1.181 114 A CA 1.438 53.441 52.037 -0.057 0.000 0.620 114 A CB -0.571 18.385 19.000 -0.074 0.000 0.821 114 A HN 0.283 nan 8.150 nan 0.000 0.443 115 A N -0.491 122.309 122.820 -0.033 0.000 1.933 115 A HA -0.006 4.314 4.320 0.000 0.000 0.218 115 A C 2.207 179.794 177.584 0.004 0.000 1.175 115 A CA 1.747 53.771 52.037 -0.021 0.000 0.628 115 A CB -0.919 18.081 19.000 -0.001 0.000 0.814 115 A HN 0.368 nan 8.150 nan 0.000 0.444 116 V N 0.123 120.042 119.914 0.010 0.000 2.343 116 V HA -0.293 3.827 4.120 0.000 0.000 0.247 116 V C 2.476 178.582 176.094 0.020 0.000 1.051 116 V CA 2.424 64.737 62.300 0.021 0.000 1.036 116 V CB -0.635 31.197 31.823 0.015 0.000 0.654 116 V HN 0.559 nan 8.190 nan 0.000 0.451 117 K N 0.008 120.407 120.400 -0.001 0.000 2.057 117 K HA -0.105 4.215 4.320 0.000 0.000 0.206 117 K C 2.316 178.917 176.600 0.002 0.000 1.050 117 K CA 1.431 57.713 56.287 -0.009 0.000 0.935 117 K CB -0.402 32.075 32.500 -0.039 0.000 0.715 117 K HN 0.475 nan 8.250 nan 0.000 0.439 118 A N 1.375 124.190 122.820 -0.009 0.000 1.902 118 A HA -0.137 4.184 4.320 0.000 0.000 0.217 118 A C 2.098 179.732 177.584 0.084 0.000 1.181 118 A CA 1.299 53.335 52.037 -0.001 0.000 0.623 118 A CB -0.546 18.424 19.000 -0.050 0.000 0.818 118 A HN 0.178 nan 8.150 nan 0.000 0.443 119 I N -0.471 120.166 120.570 0.111 0.000 2.394 119 I HA -0.201 3.969 4.170 0.000 0.000 0.251 119 I C 2.181 178.420 176.117 0.203 0.000 1.136 119 I CA 1.666 63.113 61.300 0.244 0.000 1.425 119 I CB -0.286 37.831 38.000 0.195 0.000 1.079 119 I HN 0.405 nan 8.210 nan 0.000 0.425 120 D N 0.900 121.365 120.400 0.107 0.000 2.097 120 D HA -0.260 4.380 4.640 0.000 0.000 0.197 120 D C 2.133 178.473 176.300 0.068 0.000 0.984 120 D CA 1.322 55.359 54.000 0.062 0.000 0.826 120 D CB 0.020 40.839 40.800 0.032 0.000 0.973 120 D HN 0.282 nan 8.370 nan 0.000 0.460 121 E N -0.901 119.347 120.200 0.080 0.000 2.058 121 E HA -0.222 4.128 4.350 0.000 0.000 0.194 121 E C 1.881 178.569 176.600 0.147 0.000 0.997 121 E CA 1.153 57.602 56.400 0.081 0.000 0.801 121 E CB -0.357 29.377 29.700 0.057 0.000 0.746 121 E HN 0.465 nan 8.360 nan 0.000 0.450 122 W N 0.451 121.738 121.300 -0.022 0.000 2.332 122 W HA -0.143 4.517 4.660 0.000 0.000 0.321 122 W C 1.703 178.216 176.519 -0.011 0.000 1.219 122 W CA 3.098 60.434 57.345 -0.015 0.000 1.277 122 W CB -0.697 28.757 29.460 -0.009 0.000 1.161 122 W HN 0.391 nan 8.180 nan 0.000 0.476 123 G N -1.202 107.561 108.800 -0.061 0.000 2.217 123 G HA2 -0.272 3.688 3.960 0.000 0.000 0.246 123 G HA3 -0.272 3.688 3.960 0.000 0.000 0.246 123 G C -0.063 174.586 174.900 -0.418 0.000 0.990 123 G CA 0.132 45.110 45.100 -0.203 0.000 0.627 123 G HN 0.288 nan 8.290 nan 0.000 0.522 124 L N 1.875 122.542 121.223 -0.927 0.000 2.456 124 L HA 0.589 4.929 4.340 0.000 0.000 0.257 124 L C -1.642 174.859 176.870 -0.615 0.000 1.162 124 L CA -1.881 52.376 54.840 -0.972 0.000 0.808 124 L CB 0.164 41.279 42.059 -1.573 0.000 1.136 124 L HN -0.096 nan 8.230 nan 0.000 0.466 125 P HA 0.048 nan 4.420 nan 0.000 0.268 125 P C -0.143 177.162 177.300 0.009 0.000 1.204 125 P CA -0.261 62.757 63.100 -0.136 0.000 0.768 125 P CB 0.243 31.886 31.700 -0.095 0.000 0.842 126 K N 1.219 121.672 120.400 0.087 0.000 2.280 126 K HA -0.119 4.202 4.320 0.000 0.000 0.202 126 K C 1.405 178.090 176.600 0.141 0.000 1.047 126 K CA 1.668 58.060 56.287 0.176 0.000 0.942 126 K CB -0.568 32.005 32.500 0.122 0.000 0.739 126 K HN 0.389 nan 8.250 nan 0.000 0.457 127 S N 1.113 116.863 115.700 0.083 0.000 2.474 127 S HA -0.057 4.413 4.470 0.000 0.000 0.235 127 S C 1.540 176.196 174.600 0.092 0.000 0.997 127 S CA 0.641 58.880 58.200 0.065 0.000 0.949 127 S CB -0.098 63.120 63.200 0.030 0.000 0.766 127 S HN 0.382 nan 8.310 nan 0.000 0.517 128 K N 0.427 120.916 120.400 0.148 0.000 2.426 128 K HA 0.304 4.624 4.320 0.000 0.000 0.193 128 K C -0.079 176.674 176.600 0.255 0.000 1.028 128 K CA -0.011 56.396 56.287 0.200 0.000 1.047 128 K CB -0.072 32.568 32.500 0.233 0.000 0.821 128 K HN 0.463 nan 8.250 nan 0.000 0.513 129 I N 2.268 122.975 120.570 0.229 0.000 2.505 129 I HA -0.086 4.084 4.170 0.000 0.000 0.287 129 I C 1.438 177.614 176.117 0.099 0.000 1.104 129 I CA 0.238 61.620 61.300 0.137 0.000 1.387 129 I CB 1.118 39.177 38.000 0.099 0.000 1.404 129 I HN 0.177 nan 8.210 nan 0.000 0.528 130 T N 1.016 115.640 114.554 0.116 0.000 3.014 130 T HA 0.172 4.522 4.350 0.000 0.000 0.250 130 T C 0.337 174.959 174.700 -0.130 0.000 1.060 130 T CA 0.189 62.310 62.100 0.035 0.000 1.040 130 T CB 0.004 68.952 68.868 0.134 0.000 0.971 130 T HN 0.532 nan 8.240 nan 0.000 0.497 131 H N -0.109 119.006 119.070 0.075 0.000 2.894 131 H HA 0.725 5.281 4.556 0.000 0.000 0.367 131 H C -1.672 173.720 175.328 0.107 0.000 1.144 131 H CA -0.984 55.147 56.048 0.139 0.000 1.180 131 H CB 2.012 31.847 29.762 0.121 0.000 1.758 131 H HN 0.134 nan 8.280 nan 0.000 0.541 132 L N 3.261 124.650 121.223 0.278 0.000 2.376 132 L HA 0.571 4.911 4.340 0.000 0.000 0.275 132 L C -1.588 175.447 176.870 0.275 0.000 0.987 132 L CA -0.303 54.655 54.840 0.196 0.000 0.828 132 L CB 0.930 43.074 42.059 0.142 0.000 1.249 132 L HN 0.651 nan 8.230 nan 0.000 0.409 133 I N 5.638 126.312 120.570 0.172 0.000 2.354 133 I HA 0.335 4.505 4.170 0.000 0.000 0.286 133 I C -1.066 175.110 176.117 0.098 0.000 1.007 133 I CA -0.278 61.120 61.300 0.163 0.000 1.167 133 I CB 1.194 39.217 38.000 0.038 0.000 1.320 133 I HN 0.543 nan 8.210 nan 0.000 0.458 134 F N 7.075 127.027 119.950 0.004 0.000 2.444 134 F HA 0.586 5.113 4.527 0.000 0.000 0.342 134 F C -0.344 175.404 175.800 -0.087 0.000 1.121 134 F CA -0.452 57.519 58.000 -0.049 0.000 0.997 134 F CB 1.178 40.128 39.000 -0.082 0.000 1.130 134 F HN 0.471 nan 8.300 nan 0.000 0.454 135 C N 5.757 125.010 119.300 -0.078 0.000 2.482 135 C HA 0.849 5.309 4.460 0.000 0.000 0.317 135 C C -0.598 174.426 174.990 0.057 0.000 1.197 135 C CA 0.038 59.068 59.018 0.019 0.000 1.432 135 C CB 0.801 28.515 27.740 -0.044 0.000 2.062 135 C HN 1.008 nan 8.230 nan 0.000 0.471 136 T N 2.247 116.894 114.554 0.155 0.000 2.762 136 T HA 0.594 4.944 4.350 0.000 0.000 0.301 136 T C 0.220 175.021 174.700 0.167 0.000 1.299 136 T CA -0.070 62.141 62.100 0.185 0.000 1.005 136 T CB 1.750 70.816 68.868 0.330 0.000 1.377 136 T HN 0.650 nan 8.240 nan 0.000 0.504 137 T N 1.130 115.759 114.554 0.124 0.000 3.111 137 T HA 0.529 4.879 4.350 0.000 0.000 0.284 137 T C -0.016 174.715 174.700 0.053 0.000 0.983 137 T CA 0.103 62.246 62.100 0.072 0.000 0.900 137 T CB 0.509 69.379 68.868 0.004 0.000 1.132 137 T HN 0.780 nan 8.240 nan 0.000 0.531 138 A N 1.417 124.297 122.820 0.099 0.000 2.323 138 A HA 0.783 5.103 4.320 0.000 0.000 0.305 138 A C 0.679 178.312 177.584 0.081 0.000 1.275 138 A CA -0.151 51.924 52.037 0.064 0.000 0.804 138 A CB -0.091 18.946 19.000 0.061 0.000 1.152 138 A HN 0.727 nan 8.150 nan 0.000 0.487 139 G N 0.195 109.002 108.800 0.011 0.000 2.814 139 G HA2 0.337 4.297 3.960 0.000 0.000 0.677 139 G HA3 0.337 4.297 3.960 0.000 0.000 0.677 139 G C -0.216 174.556 174.900 -0.214 0.000 1.429 139 G CA 0.113 45.179 45.100 -0.057 0.000 0.868 139 G HN 2.445 nan 8.290 nan 0.000 0.553 140 V N -2.638 117.048 119.914 -0.381 0.000 3.147 140 V HA 0.988 5.109 4.120 0.000 0.000 0.306 140 V C -0.618 175.241 176.094 -0.392 0.000 1.209 140 V CA 0.068 61.841 62.300 -0.878 0.000 1.023 140 V CB 2.112 33.370 31.823 -0.942 0.000 1.059 140 V HN 1.671 nan 8.190 nan 0.000 0.435 141 D N 1.277 121.500 120.400 -0.296 0.000 2.653 141 D HA 0.673 5.314 4.640 0.000 0.000 0.258 141 D C -1.353 174.938 176.300 -0.015 0.000 1.252 141 D CA -0.444 53.503 54.000 -0.089 0.000 0.777 141 D CB 2.082 42.871 40.800 -0.017 0.000 1.339 141 D HN 0.867 nan 8.370 nan 0.000 0.422 142 M N 1.984 121.569 119.600 -0.025 0.000 2.204 142 M HA 0.444 4.924 4.480 0.000 0.000 0.293 142 M C -2.286 173.969 176.300 -0.074 0.000 0.994 142 M CA -1.659 53.623 55.300 -0.030 0.000 0.925 142 M CB 1.720 34.297 32.600 -0.039 0.000 1.577 142 M HN 0.192 nan 8.290 nan 0.000 0.439 143 P HA 0.188 nan 4.420 nan 0.000 0.267 143 P C 0.201 177.507 177.300 0.011 0.000 1.201 143 P CA -0.133 62.878 63.100 -0.148 0.000 0.775 143 P CB 0.338 31.742 31.700 -0.493 0.000 0.854 144 G N -0.065 108.776 108.800 0.068 0.000 2.563 144 G HA2 0.384 4.344 3.960 0.000 0.000 0.283 144 G HA3 0.384 4.344 3.960 0.000 0.000 0.283 144 G C 1.016 175.914 174.900 -0.002 0.000 1.309 144 G CA -0.160 45.022 45.100 0.136 0.000 1.022 144 G HN 0.519 nan 8.290 nan 0.000 0.501 145 A N -0.344 122.372 122.820 -0.174 0.000 2.076 145 A HA -0.085 4.236 4.320 0.000 0.000 0.220 145 A C 2.003 179.144 177.584 -0.738 0.000 1.160 145 A CA 2.215 53.918 52.037 -0.556 0.000 0.653 145 A CB -0.496 17.905 19.000 -0.998 0.000 0.801 145 A HN 0.714 nan 8.150 nan 0.000 0.455 146 D N -1.214 118.881 120.400 -0.508 0.000 2.117 146 D HA -0.250 4.390 4.640 0.000 0.000 0.198 146 D C 1.813 178.074 176.300 -0.065 0.000 0.982 146 D CA 1.621 55.500 54.000 -0.202 0.000 0.828 146 D CB -0.866 39.900 40.800 -0.057 0.000 0.967 146 D HN 0.592 nan 8.370 nan 0.000 0.464 147 Y N 1.471 121.692 120.300 -0.131 0.000 2.200 147 Y HA -0.179 4.371 4.550 0.000 0.000 0.290 147 Y C 2.433 178.295 175.900 -0.065 0.000 1.137 147 Y CA 1.794 59.849 58.100 -0.075 0.000 1.163 147 Y CB -0.192 38.231 38.460 -0.061 0.000 0.988 147 Y HN -0.183 nan 8.280 nan 0.000 0.518 148 Q N 0.162 119.896 119.800 -0.111 0.000 2.096 148 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 148 Q C 2.346 178.236 176.000 -0.185 0.000 0.982 148 Q CA 1.608 57.309 55.803 -0.169 0.000 0.850 148 Q CB -0.872 27.834 28.738 -0.054 0.000 0.901 148 Q HN 0.560 nan 8.270 nan 0.000 0.422 149 L N 0.131 121.277 121.223 -0.127 0.000 2.093 149 L HA -0.110 4.230 4.340 0.000 0.000 0.208 149 L C 2.191 179.031 176.870 -0.050 0.000 1.085 149 L CA 1.170 56.005 54.840 -0.009 0.000 0.755 149 L CB -0.483 41.675 42.059 0.164 0.000 0.904 149 L HN -0.060 nan 8.230 nan 0.000 0.435 150 V N -0.068 119.776 119.914 -0.117 0.000 2.343 150 V HA -0.321 3.799 4.120 0.000 0.000 0.247 150 V C 2.652 178.647 176.094 -0.164 0.000 1.051 150 V CA 2.169 64.396 62.300 -0.122 0.000 1.036 150 V CB -0.671 31.064 31.823 -0.146 0.000 0.654 150 V HN 0.534 nan 8.190 nan 0.000 0.451 151 K N -0.507 119.718 120.400 -0.291 0.000 2.002 151 K HA -0.181 4.139 4.320 0.000 0.000 0.209 151 K C 2.171 178.694 176.600 -0.127 0.000 1.048 151 K CA 1.429 57.565 56.287 -0.253 0.000 0.930 151 K CB -0.202 32.069 32.500 -0.382 0.000 0.714 151 K HN 0.222 nan 8.250 nan 0.000 0.438 152 L N 1.031 122.193 121.223 -0.102 0.000 2.042 152 L HA -0.155 4.186 4.340 0.000 0.000 0.210 152 L C 2.185 179.041 176.870 -0.024 0.000 1.076 152 L CA 1.391 56.203 54.840 -0.045 0.000 0.749 152 L CB -0.723 41.324 42.059 -0.022 0.000 0.893 152 L HN 0.265 nan 8.230 nan 0.000 0.432 153 L N -0.689 120.522 121.223 -0.020 0.000 2.477 153 L HA 0.287 4.627 4.340 0.000 0.000 0.220 153 L C 1.299 178.167 176.870 -0.003 0.000 1.106 153 L CA 0.975 55.815 54.840 0.001 0.000 0.851 153 L CB -0.577 41.492 42.059 0.018 0.000 0.994 153 L HN 0.449 nan 8.230 nan 0.000 0.462 154 G N 0.210 108.997 108.800 -0.022 0.000 2.256 154 G HA2 -0.248 3.712 3.960 0.000 0.000 0.272 154 G HA3 -0.248 3.712 3.960 0.000 0.000 0.272 154 G C 0.276 175.174 174.900 -0.005 0.000 1.076 154 G CA 0.393 45.482 45.100 -0.018 0.000 0.882 154 G HN 0.283 nan 8.290 nan 0.000 0.497 155 L N 0.075 121.294 121.223 -0.007 0.000 2.476 155 L HA 0.472 4.812 4.340 0.000 0.000 0.255 155 L C 1.640 178.510 176.870 -0.000 0.000 1.218 155 L CA 0.025 54.871 54.840 0.009 0.000 0.819 155 L CB 0.654 42.721 42.059 0.014 0.000 1.119 155 L HN 0.357 nan 8.230 nan 0.000 0.485 156 S N 0.812 116.518 115.700 0.010 0.000 2.552 156 S HA 0.065 4.535 4.470 0.000 0.000 0.289 156 S C -1.515 173.082 174.600 -0.005 0.000 1.304 156 S CA -1.011 57.191 58.200 0.003 0.000 1.063 156 S CB 0.679 63.883 63.200 0.007 0.000 0.848 156 S HN 0.371 nan 8.310 nan 0.000 0.499 157 P HA 0.005 nan 4.420 nan 0.000 0.221 157 P C 0.695 177.995 177.300 0.000 0.000 1.145 157 P CA 0.845 63.947 63.100 0.003 0.000 0.795 157 P CB 0.071 31.777 31.700 0.010 0.000 0.775 158 S N -0.971 114.724 115.700 -0.009 0.000 2.634 158 S HA 0.095 4.566 4.470 0.000 0.000 0.221 158 S C 0.656 175.230 174.600 -0.044 0.000 0.952 158 S CA -0.360 57.827 58.200 -0.022 0.000 0.930 158 S CB -0.559 62.629 63.200 -0.019 0.000 0.780 158 S HN -0.031 nan 8.310 nan 0.000 0.498 159 V N 2.635 122.528 119.914 -0.036 0.000 2.740 159 V HA 0.143 4.263 4.120 0.000 0.000 0.303 159 V C 0.053 176.099 176.094 -0.079 0.000 1.054 159 V CA 0.078 62.346 62.300 -0.052 0.000 1.106 159 V CB 0.638 32.455 31.823 -0.011 0.000 0.957 159 V HN 0.231 nan 8.190 nan 0.000 0.486 160 K N 6.632 126.947 120.400 -0.143 0.000 2.276 160 K HA 0.442 4.762 4.320 0.000 0.000 0.285 160 K C -0.348 176.208 176.600 -0.072 0.000 1.062 160 K CA -0.212 55.991 56.287 -0.140 0.000 0.918 160 K CB 0.819 33.208 32.500 -0.185 0.000 1.055 160 K HN 0.656 nan 8.250 nan 0.000 0.477 161 R N 2.237 122.583 120.500 -0.257 0.000 2.668 161 R HA 0.375 4.715 4.340 0.000 0.000 0.279 161 R C -1.016 174.889 176.300 -0.659 0.000 0.976 161 R CA -0.801 55.157 56.100 -0.237 0.000 0.978 161 R CB 1.105 31.348 30.300 -0.096 0.000 1.133 161 R HN 0.451 nan 8.270 nan 0.000 0.484 162 Y N 1.440 121.768 120.300 0.047 0.000 2.445 162 Y HA 0.265 4.815 4.550 0.000 0.000 0.332 162 Y C -0.448 175.461 175.900 0.015 0.000 1.037 162 Y CA -0.826 57.293 58.100 0.033 0.000 1.296 162 Y CB 1.544 40.026 38.460 0.036 0.000 1.099 162 Y HN 0.376 nan 8.280 nan 0.000 0.496 163 M N 5.172 124.782 119.600 0.017 0.000 2.069 163 M HA 0.439 4.920 4.480 0.000 0.000 0.349 163 M C -1.782 174.471 176.300 -0.079 0.000 1.194 163 M CA -0.308 54.946 55.300 -0.076 0.000 1.081 163 M CB -0.010 32.495 32.600 -0.158 0.000 1.500 163 M HN 0.504 nan 8.290 nan 0.000 0.438 164 L N 6.533 127.722 121.223 -0.057 0.000 2.272 164 L HA 0.381 4.721 4.340 0.000 0.000 0.284 164 L C -1.124 175.732 176.870 -0.023 0.000 1.045 164 L CA -0.625 54.215 54.840 -0.001 0.000 0.842 164 L CB -0.149 41.934 42.059 0.040 0.000 1.224 164 L HN 0.545 nan 8.230 nan 0.000 0.430 165 Y N 1.409 121.755 120.300 0.077 0.000 2.457 165 Y HA 0.250 4.801 4.550 0.000 0.000 0.333 165 Y C 0.790 176.711 175.900 0.035 0.000 1.119 165 Y CA -0.881 57.254 58.100 0.058 0.000 1.143 165 Y CB 1.429 39.910 38.460 0.035 0.000 1.230 165 Y HN 0.508 nan 8.280 nan 0.000 0.469 166 Q N 0.772 120.717 119.800 0.243 0.000 2.453 166 Q HA -0.247 4.093 4.340 0.000 0.000 0.294 166 Q C 0.635 176.676 176.000 0.067 0.000 1.295 166 Q CA 0.643 56.507 55.803 0.102 0.000 0.853 166 Q CB -0.649 28.127 28.738 0.063 0.000 1.193 166 Q HN 0.748 nan 8.270 nan 0.000 0.461 167 Q N -0.969 118.874 119.800 0.071 0.000 2.062 167 Q HA 0.239 4.579 4.340 0.000 0.000 0.196 167 Q C 1.277 177.283 176.000 0.009 0.000 0.967 167 Q CA 1.454 57.280 55.803 0.039 0.000 0.832 167 Q CB -0.006 28.754 28.738 0.037 0.000 0.899 167 Q HN 0.710 nan 8.270 nan 0.000 0.442 171 A N 0.188 122.954 122.820 -0.090 0.000 2.238 171 A HA 0.449 4.769 4.320 0.000 0.000 0.208 171 A C 1.917 179.466 177.584 -0.058 0.000 1.177 171 A CA 1.576 53.579 52.037 -0.057 0.000 0.804 171 A CB -0.663 18.319 19.000 -0.029 0.000 0.823 171 A HN 1.129 nan 8.150 nan 0.000 0.482 172 G N -0.222 108.537 108.800 -0.068 0.000 2.448 172 G HA2 0.097 4.057 3.960 0.000 0.000 0.218 172 G HA3 0.097 4.057 3.960 0.000 0.000 0.218 172 G C 1.375 176.234 174.900 -0.067 0.000 1.135 172 G CA 1.039 46.109 45.100 -0.050 0.000 0.784 172 G HN 0.564 nan 8.290 nan 0.000 0.543 173 G N 0.451 109.201 108.800 -0.083 0.000 2.394 173 G HA2 -0.097 3.864 3.960 0.000 0.000 0.215 173 G HA3 -0.097 3.864 3.960 0.000 0.000 0.215 173 G C 1.813 176.669 174.900 -0.074 0.000 1.165 173 G CA 1.630 46.678 45.100 -0.086 0.000 0.784 173 G HN 0.340 nan 8.290 nan 0.000 0.535 174 T N 1.544 116.061 114.554 -0.062 0.000 2.607 174 T HA -0.224 4.126 4.350 0.000 0.000 0.267 174 T C 2.708 177.371 174.700 -0.063 0.000 1.049 174 T CA 2.464 64.533 62.100 -0.052 0.000 1.162 174 T CB -0.745 68.102 68.868 -0.035 0.000 0.863 174 T HN 0.344 nan 8.240 nan 0.000 0.424 175 V N 0.790 120.666 119.914 -0.065 0.000 2.392 175 V HA -0.132 3.988 4.120 0.000 0.000 0.249 175 V C 2.359 178.396 176.094 -0.094 0.000 1.059 175 V CA 1.600 63.854 62.300 -0.077 0.000 1.051 175 V CB -1.328 30.449 31.823 -0.076 0.000 0.658 175 V HN 0.446 nan 8.190 nan 0.000 0.455 176 L N -0.013 121.156 121.223 -0.090 0.000 2.056 176 L HA -0.090 4.250 4.340 0.000 0.000 0.207 176 L C 2.994 179.803 176.870 -0.101 0.000 1.078 176 L CA 2.211 56.993 54.840 -0.097 0.000 0.749 176 L CB -0.687 41.314 42.059 -0.096 0.000 0.901 176 L HN 0.329 nan 8.230 nan 0.000 0.433 177 R N 0.571 121.015 120.500 -0.092 0.000 2.081 177 R HA -0.220 4.120 4.340 0.000 0.000 0.235 177 R C 2.335 178.574 176.300 -0.103 0.000 1.131 177 R CA 1.640 57.688 56.100 -0.087 0.000 0.960 177 R CB -0.298 29.961 30.300 -0.069 0.000 0.856 177 R HN 0.213 nan 8.270 nan 0.000 0.436 178 L N 0.630 121.784 121.223 -0.114 0.000 2.027 178 L HA 0.044 4.384 4.340 0.000 0.000 0.206 178 L C 2.295 179.037 176.870 -0.215 0.000 1.074 178 L CA 2.147 56.890 54.840 -0.162 0.000 0.745 178 L CB -0.733 41.226 42.059 -0.167 0.000 0.898 178 L HN 0.261 nan 8.230 nan 0.000 0.433 179 A N -0.348 122.357 122.820 -0.191 0.000 1.972 179 A HA -0.271 4.049 4.320 0.000 0.000 0.219 179 A C 2.416 179.887 177.584 -0.188 0.000 1.169 179 A CA 1.909 53.822 52.037 -0.207 0.000 0.635 179 A CB -0.668 18.236 19.000 -0.160 0.000 0.810 179 A HN 0.572 nan 8.150 nan 0.000 0.446 180 K N -0.341 119.971 120.400 -0.147 0.000 2.063 180 K HA -0.214 4.106 4.320 0.000 0.000 0.208 180 K C 1.312 177.834 176.600 -0.131 0.000 1.048 180 K CA 1.867 58.080 56.287 -0.123 0.000 0.928 180 K CB -0.210 32.231 32.500 -0.099 0.000 0.713 180 K HN 0.361 nan 8.250 nan 0.000 0.442 181 D N 0.698 121.014 120.400 -0.140 0.000 2.117 181 D HA -0.108 4.532 4.640 0.000 0.000 0.198 181 D C 2.048 178.244 176.300 -0.174 0.000 0.982 181 D CA 1.057 54.978 54.000 -0.132 0.000 0.828 181 D CB -0.049 40.682 40.800 -0.114 0.000 0.967 181 D HN 0.255 nan 8.370 nan 0.000 0.464 182 L N 0.720 121.786 121.223 -0.262 0.000 2.046 182 L HA -0.129 4.211 4.340 0.000 0.000 0.208 182 L C 2.596 179.252 176.870 -0.358 0.000 1.077 182 L CA 1.153 55.761 54.840 -0.387 0.000 0.747 182 L CB -0.499 41.205 42.059 -0.591 0.000 0.896 182 L HN -0.041 nan 8.230 nan 0.000 0.432 183 A N 0.118 122.777 122.820 -0.269 0.000 1.898 183 A HA -0.198 4.123 4.320 0.000 0.000 0.216 183 A C 2.160 179.669 177.584 -0.124 0.000 1.181 183 A CA 1.585 53.510 52.037 -0.186 0.000 0.620 183 A CB -0.402 18.510 19.000 -0.146 0.000 0.819 183 A HN 0.443 nan 8.150 nan 0.000 0.442 184 E N -0.836 119.297 120.200 -0.110 0.000 2.208 184 E HA -0.126 4.224 4.350 0.000 0.000 0.193 184 E C 1.476 178.040 176.600 -0.060 0.000 0.988 184 E CA 0.916 57.271 56.400 -0.074 0.000 0.828 184 E CB -0.091 29.570 29.700 -0.067 0.000 0.763 184 E HN 0.613 nan 8.360 nan 0.000 0.478 185 N N 0.362 119.018 118.700 -0.072 0.000 2.373 185 N HA -0.006 4.734 4.740 0.000 0.000 0.181 185 N C -0.598 174.899 175.510 -0.021 0.000 1.082 185 N CA 0.226 53.251 53.050 -0.043 0.000 0.885 185 N CB 0.503 38.966 38.487 -0.041 0.000 0.977 185 N HN -0.043 nan 8.380 nan 0.000 0.462 186 N N 1.044 119.725 118.700 -0.032 0.000 2.626 186 N HA 0.036 4.777 4.740 0.000 0.000 0.249 186 N C -1.128 174.404 175.510 0.036 0.000 1.021 186 N CA -0.411 52.655 53.050 0.026 0.000 0.886 186 N CB 1.530 40.059 38.487 0.072 0.000 1.149 186 N HN 0.132 nan 8.380 nan 0.000 0.517 187 K N 0.667 121.091 120.400 0.039 0.000 2.491 187 K HA 0.093 4.413 4.320 0.000 0.000 0.279 187 K C 1.170 177.812 176.600 0.070 0.000 1.026 187 K CA 1.126 57.438 56.287 0.041 0.000 1.070 187 K CB -0.091 32.431 32.500 0.037 0.000 0.887 187 K HN 0.666 nan 8.250 nan 0.000 0.481 188 G N 2.437 111.284 108.800 0.078 0.000 2.179 188 G HA2 -0.322 3.638 3.960 0.000 0.000 0.260 188 G HA3 -0.322 3.638 3.960 0.000 0.000 0.260 188 G C 0.024 175.005 174.900 0.136 0.000 0.977 188 G CA 0.401 45.576 45.100 0.125 0.000 0.641 188 G HN 1.055 nan 8.290 nan 0.000 0.533 189 S N 0.136 115.901 115.700 0.109 0.000 2.585 189 S HA 0.747 5.217 4.470 0.000 0.000 0.273 189 S C 0.173 174.832 174.600 0.099 0.000 1.339 189 S CA -0.283 58.004 58.200 0.145 0.000 1.028 189 S CB 1.773 65.054 63.200 0.136 0.000 0.906 189 S HN 0.454 nan 8.310 nan 0.000 0.528 190 R N 1.357 121.930 120.500 0.122 0.000 2.502 190 R HA 0.495 4.835 4.340 0.000 0.000 0.300 190 R C -1.569 174.721 176.300 -0.016 0.000 0.984 190 R CA -0.607 55.495 56.100 0.003 0.000 0.882 190 R CB 1.864 32.170 30.300 0.010 0.000 1.180 190 R HN 0.597 nan 8.270 nan 0.000 0.444 191 V N 4.318 124.170 119.914 -0.103 0.000 2.435 191 V HA 0.355 4.475 4.120 0.000 0.000 0.290 191 V C -0.186 175.826 176.094 -0.138 0.000 1.030 191 V CA -0.951 61.309 62.300 -0.067 0.000 0.881 191 V CB 1.722 33.474 31.823 -0.120 0.000 0.983 191 V HN 0.474 nan 8.190 nan 0.000 0.445 192 L N 6.807 127.982 121.223 -0.079 0.000 2.272 192 L HA 0.610 4.950 4.340 0.000 0.000 0.289 192 L C -0.479 176.351 176.870 -0.067 0.000 1.032 192 L CA 0.223 55.002 54.840 -0.102 0.000 0.810 192 L CB 0.843 42.869 42.059 -0.055 0.000 1.205 192 L HN 0.530 nan 8.230 nan 0.000 0.422 193 I N 5.787 126.294 120.570 -0.106 0.000 2.354 193 I HA 0.447 4.617 4.170 0.000 0.000 0.292 193 I C -0.861 175.161 176.117 -0.159 0.000 0.989 193 I CA -0.741 60.491 61.300 -0.112 0.000 1.188 193 I CB 1.780 39.710 38.000 -0.117 0.000 1.342 193 I HN 0.285 nan 8.210 nan 0.000 0.457 194 V N 5.856 125.624 119.914 -0.243 0.000 2.483 194 V HA 0.306 4.427 4.120 0.000 0.000 0.297 194 V C -0.574 175.186 176.094 -0.556 0.000 1.027 194 V CA -0.559 61.500 62.300 -0.401 0.000 0.855 194 V CB 1.685 33.182 31.823 -0.543 0.000 0.995 194 V HN 0.788 nan 8.190 nan 0.000 0.424 195 C N 3.593 122.687 119.300 -0.343 0.000 2.281 195 C HA 0.768 5.228 4.460 0.000 0.000 0.325 195 C C 0.562 175.436 174.990 -0.192 0.000 1.282 195 C CA -0.398 58.465 59.018 -0.258 0.000 1.640 195 C CB 0.685 28.368 27.740 -0.096 0.000 2.288 195 C HN 0.867 nan 8.230 nan 0.000 0.507 196 S N 3.120 118.723 115.700 -0.162 0.000 2.672 196 S HA 0.507 4.977 4.470 0.000 0.000 0.291 196 S C -1.263 173.388 174.600 0.085 0.000 1.145 196 S CA -0.350 57.847 58.200 -0.006 0.000 1.013 196 S CB 0.544 63.754 63.200 0.018 0.000 1.017 196 S HN 0.752 nan 8.310 nan 0.000 0.487 197 E N 4.248 124.492 120.200 0.073 0.000 2.224 197 E HA 0.463 4.813 4.350 0.000 0.000 0.265 197 E C -0.924 175.722 176.600 0.077 0.000 0.878 197 E CA -0.476 55.968 56.400 0.074 0.000 0.759 197 E CB 1.954 31.685 29.700 0.052 0.000 1.164 197 E HN 0.651 nan 8.360 nan 0.000 0.414 198 I N 1.958 122.572 120.570 0.075 0.000 2.410 198 I HA 0.094 4.264 4.170 0.000 0.000 0.286 198 I C 1.288 177.440 176.117 0.058 0.000 1.009 198 I CA -0.421 60.919 61.300 0.068 0.000 1.111 198 I CB 1.871 39.903 38.000 0.053 0.000 1.262 198 I HN 0.480 nan 8.210 nan 0.000 0.443 199 T N 1.475 116.077 114.554 0.080 0.000 3.194 199 T HA 0.073 4.423 4.350 0.000 0.000 0.251 199 T C 1.574 176.345 174.700 0.120 0.000 1.132 199 T CA 0.526 62.680 62.100 0.090 0.000 1.028 199 T CB 0.181 69.146 68.868 0.161 0.000 0.976 199 T HN 0.655 nan 8.240 nan 0.000 0.535 200 A N 2.353 125.224 122.820 0.085 0.000 1.978 200 A HA 0.023 4.344 4.320 0.000 0.000 0.220 200 A C 2.086 179.713 177.584 0.072 0.000 1.170 200 A CA 1.621 53.702 52.037 0.074 0.000 0.636 200 A CB -0.755 18.243 19.000 -0.003 0.000 0.810 200 A HN 0.731 nan 8.150 nan 0.000 0.448 201 I N -1.153 119.440 120.570 0.039 0.000 2.676 201 I HA -0.073 4.097 4.170 0.000 0.000 0.259 201 I C 1.390 177.499 176.117 -0.014 0.000 1.194 201 I CA 0.793 62.100 61.300 0.012 0.000 1.473 201 I CB -0.784 37.213 38.000 -0.004 0.000 1.096 201 I HN 0.261 nan 8.210 nan 0.000 0.443 202 L N -2.621 118.613 121.223 0.019 0.000 2.769 202 L HA 0.471 4.812 4.340 0.000 0.000 0.240 202 L C 0.475 177.350 176.870 0.008 0.000 1.163 202 L CA -0.395 54.476 54.840 0.052 0.000 0.962 202 L CB -1.390 40.793 42.059 0.207 0.000 1.258 202 L HN 0.026 nan 8.230 nan 0.000 0.513 203 F N 2.469 122.325 119.950 -0.156 0.000 2.529 203 F HA 0.429 4.956 4.527 0.000 0.000 0.365 203 F C 0.226 175.800 175.800 -0.376 0.000 1.102 203 F CA 0.520 58.470 58.000 -0.084 0.000 1.271 203 F CB 0.199 39.219 39.000 0.034 0.000 1.120 203 F HN 0.124 nan 8.300 nan 0.000 0.579 204 H N 3.253 122.022 119.070 -0.502 0.000 3.038 204 H HA 0.301 4.857 4.556 0.000 0.000 0.362 204 H C 0.068 175.177 175.328 -0.364 0.000 1.167 204 H CA -0.495 55.398 56.048 -0.258 0.000 1.197 204 H CB 1.251 31.017 29.762 0.007 0.000 1.840 204 H HN 0.845 nan 8.280 nan 0.000 0.540 205 G N 1.716 110.481 108.800 -0.058 0.000 2.634 205 G HA2 0.267 4.227 3.960 0.000 0.000 0.255 205 G HA3 0.267 4.227 3.960 0.000 0.000 0.255 205 G C -2.387 172.489 174.900 -0.040 0.000 1.205 205 G CA -0.880 44.102 45.100 -0.196 0.000 0.884 205 G HN 0.292 nan 8.290 nan 0.000 0.549 206 P HA 0.158 nan 4.420 nan 0.000 0.278 206 P C -0.867 176.308 177.300 -0.207 0.000 1.238 206 P CA -0.450 62.527 63.100 -0.205 0.000 0.794 206 P CB 1.366 32.849 31.700 -0.362 0.000 0.955 207 N N 1.765 120.298 118.700 -0.279 0.000 2.455 207 N HA 0.034 4.774 4.740 0.000 0.000 0.285 207 N C 0.548 175.926 175.510 -0.220 0.000 1.080 207 N CA -0.277 52.558 53.050 -0.358 0.000 0.932 207 N CB 1.628 39.592 38.487 -0.873 0.000 1.610 207 N HN 0.216 nan 8.380 nan 0.000 0.493 208 E N 1.253 121.378 120.200 -0.125 0.000 2.147 208 E HA -0.164 4.186 4.350 0.000 0.000 0.199 208 E C 0.541 177.076 176.600 -0.108 0.000 1.005 208 E CA 1.499 57.852 56.400 -0.079 0.000 0.810 208 E CB 0.167 29.835 29.700 -0.053 0.000 0.736 208 E HN 0.521 nan 8.360 nan 0.000 0.460 209 N N -0.021 118.592 118.700 -0.144 0.000 2.398 209 N HA -0.020 4.720 4.740 0.000 0.000 0.188 209 N C -0.416 174.787 175.510 -0.511 0.000 1.122 209 N CA 0.522 53.418 53.050 -0.256 0.000 0.866 209 N CB 0.403 38.752 38.487 -0.229 0.000 0.970 209 N HN 0.228 nan 8.380 nan 0.000 0.462 210 H N -0.228 118.723 119.070 -0.199 0.000 2.429 210 H HA 0.289 4.846 4.556 0.000 0.000 0.231 210 H C 0.963 176.230 175.328 -0.103 0.000 1.416 210 H CA -0.247 55.719 56.048 -0.138 0.000 1.443 210 H CB 0.326 29.970 29.762 -0.196 0.000 1.591 210 H HN -0.110 nan 8.280 nan 0.000 0.507 211 L N 0.264 121.477 121.223 -0.016 0.000 2.217 211 L HA -0.105 4.235 4.340 0.000 0.000 0.211 211 L C 1.603 178.479 176.870 0.011 0.000 1.107 211 L CA 0.970 55.807 54.840 -0.005 0.000 0.783 211 L CB -0.009 42.037 42.059 -0.022 0.000 0.919 211 L HN 0.570 nan 8.230 nan 0.000 0.442 212 D N -1.429 118.986 120.400 0.025 0.000 2.149 212 D HA -0.187 4.453 4.640 0.000 0.000 0.201 212 D C 2.169 178.456 176.300 -0.022 0.000 0.972 212 D CA 1.212 55.222 54.000 0.017 0.000 0.835 212 D CB -0.395 40.445 40.800 0.067 0.000 0.966 212 D HN 0.073 nan 8.370 nan 0.000 0.476 213 S N -0.515 115.229 115.700 0.074 0.000 2.399 213 S HA -0.090 4.380 4.470 0.000 0.000 0.231 213 S C 1.766 176.356 174.600 -0.016 0.000 1.022 213 S CA 0.473 58.713 58.200 0.068 0.000 0.983 213 S CB -0.387 62.996 63.200 0.306 0.000 0.803 213 S HN 0.238 nan 8.310 nan 0.000 0.480 214 L N 1.382 122.602 121.223 -0.005 0.000 2.056 214 L HA 0.073 4.413 4.340 0.000 0.000 0.207 214 L C 2.278 179.169 176.870 0.034 0.000 1.078 214 L CA 1.515 56.334 54.840 -0.035 0.000 0.749 214 L CB -0.724 41.349 42.059 0.023 0.000 0.901 214 L HN 0.181 nan 8.230 nan 0.000 0.433 215 V N 0.255 120.183 119.914 0.023 0.000 2.332 215 V HA -0.315 3.805 4.120 0.000 0.000 0.248 215 V C 2.783 178.825 176.094 -0.087 0.000 1.055 215 V CA 1.672 63.974 62.300 0.004 0.000 1.038 215 V CB -1.299 30.493 31.823 -0.052 0.000 0.651 215 V HN 0.612 nan 8.190 nan 0.000 0.450 216 A N -0.785 121.898 122.820 -0.229 0.000 2.076 216 A HA -0.224 4.096 4.320 0.000 0.000 0.220 216 A C 2.060 179.592 177.584 -0.086 0.000 1.160 216 A CA 1.336 53.173 52.037 -0.333 0.000 0.653 216 A CB -0.359 17.970 19.000 -1.118 0.000 0.801 216 A HN 0.562 nan 8.150 nan 0.000 0.455 217 Q N -0.764 118.995 119.800 -0.070 0.000 2.436 217 Q HA 0.071 4.411 4.340 0.000 0.000 0.209 217 Q C 1.811 177.833 176.000 0.038 0.000 0.965 217 Q CA 1.180 56.949 55.803 -0.057 0.000 0.910 217 Q CB -0.492 27.945 28.738 -0.503 0.000 0.980 217 Q HN 0.693 nan 8.270 nan 0.000 0.491 218 A N -0.537 122.306 122.820 0.039 0.000 2.303 218 A HA 0.199 4.519 4.320 0.000 0.000 0.217 218 A C 1.815 179.236 177.584 -0.271 0.000 1.205 218 A CA -0.027 51.917 52.037 -0.155 0.000 0.875 218 A CB 0.098 18.945 19.000 -0.254 0.000 0.910 218 A HN 0.244 nan 8.150 nan 0.000 0.501 219 L N -1.874 119.141 121.223 -0.347 0.000 2.253 219 L HA 0.278 4.618 4.340 0.000 0.000 0.205 219 L C 0.029 176.598 176.870 -0.502 0.000 1.078 219 L CA 0.297 54.798 54.840 -0.566 0.000 0.805 219 L CB -0.057 41.357 42.059 -1.075 0.000 0.963 219 L HN 0.297 nan 8.230 nan 0.000 0.459 220 F N -0.348 119.583 119.950 -0.032 0.000 2.458 220 F HA 0.616 5.143 4.527 0.000 0.000 0.330 220 F C 0.750 176.553 175.800 0.005 0.000 1.082 220 F CA -0.747 57.265 58.000 0.020 0.000 0.995 220 F CB 1.563 40.618 39.000 0.092 0.000 1.170 220 F HN -0.222 nan 8.300 nan 0.000 0.478 221 G N 0.528 109.460 108.800 0.221 0.000 2.818 221 G HA2 0.537 4.497 3.960 0.000 0.000 0.286 221 G HA3 0.537 4.497 3.960 0.000 0.000 0.286 221 G C -2.003 172.988 174.900 0.153 0.000 1.364 221 G CA -0.743 44.448 45.100 0.151 0.000 0.938 221 G HN 0.403 nan 8.290 nan 0.000 0.490 222 D N -0.787 119.709 120.400 0.161 0.000 2.163 222 D HA 0.702 5.342 4.640 0.000 0.000 0.248 222 D C 0.409 176.772 176.300 0.105 0.000 1.035 222 D CA 0.296 54.374 54.000 0.130 0.000 0.872 222 D CB 1.777 42.661 40.800 0.139 0.000 1.183 222 D HN 0.809 nan 8.370 nan 0.000 0.445 223 G N -0.904 107.928 108.800 0.053 0.000 2.387 223 G HA2 0.628 4.588 3.960 0.000 0.000 0.294 223 G HA3 0.628 4.588 3.960 0.000 0.000 0.294 223 G C -1.959 173.016 174.900 0.125 0.000 1.509 223 G CA -0.464 44.678 45.100 0.069 0.000 0.806 223 G HN 0.571 nan 8.290 nan 0.000 0.546 224 A N -0.873 122.095 122.820 0.247 0.000 2.449 224 A HA 1.048 5.368 4.320 0.000 0.000 0.302 224 A C -0.195 177.489 177.584 0.166 0.000 1.048 224 A CA 0.147 52.280 52.037 0.160 0.000 0.708 224 A CB 1.645 20.672 19.000 0.046 0.000 1.274 224 A HN 2.442 nan 8.150 nan 0.000 0.410 225 A N 0.691 123.558 122.820 0.078 0.000 2.386 225 A HA 0.946 5.266 4.320 0.000 0.000 0.311 225 A C -0.230 177.284 177.584 -0.116 0.000 1.068 225 A CA 0.000 51.989 52.037 -0.080 0.000 0.743 225 A CB 1.461 20.457 19.000 -0.006 0.000 1.258 225 A HN 2.464 nan 8.150 nan 0.000 0.429 226 A N 1.294 124.030 122.820 -0.141 0.000 2.393 226 A HA 0.799 5.120 4.320 0.000 0.000 0.306 226 A C -1.482 176.026 177.584 -0.126 0.000 1.050 226 A CA -0.326 51.632 52.037 -0.132 0.000 0.724 226 A CB 1.001 19.933 19.000 -0.112 0.000 1.248 226 A HN 0.845 nan 8.150 nan 0.000 0.424 227 L N 2.119 123.264 121.223 -0.130 0.000 2.388 227 L HA 0.589 4.929 4.340 0.000 0.000 0.264 227 L C -0.763 175.992 176.870 -0.190 0.000 0.998 227 L CA -0.247 54.511 54.840 -0.137 0.000 0.817 227 L CB 2.060 44.050 42.059 -0.114 0.000 1.338 227 L HN 0.571 nan 8.230 nan 0.000 0.414 228 I N 2.849 123.268 120.570 -0.252 0.000 2.362 228 I HA 0.516 4.686 4.170 0.000 0.000 0.289 228 I C -0.554 175.371 176.117 -0.321 0.000 0.994 228 I CA -0.527 60.524 61.300 -0.415 0.000 1.158 228 I CB 1.694 39.222 38.000 -0.786 0.000 1.315 228 I HN 0.164 nan 8.210 nan 0.000 0.451 229 V N 5.013 124.763 119.914 -0.273 0.000 2.656 229 V HA 0.943 5.064 4.120 0.000 0.000 0.307 229 V C 0.244 176.237 176.094 -0.168 0.000 1.051 229 V CA -0.409 61.781 62.300 -0.184 0.000 0.893 229 V CB 2.099 33.834 31.823 -0.146 0.000 0.999 229 V HN 0.970 nan 8.190 nan 0.000 0.426 230 G N 2.011 110.740 108.800 -0.118 0.000 2.673 230 G HA2 0.585 4.545 3.960 0.000 0.000 0.292 230 G HA3 0.585 4.545 3.960 0.000 0.000 0.292 230 G C -1.250 173.613 174.900 -0.061 0.000 1.450 230 G CA -0.449 44.604 45.100 -0.078 0.000 0.837 230 G HN 0.581 nan 8.290 nan 0.000 0.505 231 S N -1.156 114.511 115.700 -0.056 0.000 2.651 231 S HA 0.664 5.134 4.470 0.000 0.000 0.291 231 S C 0.885 175.441 174.600 -0.074 0.000 1.141 231 S CA 0.610 58.776 58.200 -0.058 0.000 1.027 231 S CB 1.450 64.618 63.200 -0.054 0.000 1.043 231 S HN 2.281 nan 8.310 nan 0.000 0.530 232 G N 2.882 111.628 108.800 -0.089 0.000 2.351 232 G HA2 -0.152 3.809 3.960 0.000 0.000 0.297 232 G HA3 -0.152 3.809 3.960 0.000 0.000 0.297 232 G C -2.811 171.931 174.900 -0.263 0.000 1.054 232 G CA -0.953 44.059 45.100 -0.148 0.000 1.123 232 G HN 0.467 nan 8.290 nan 0.000 0.512 233 P HA 0.198 nan 4.420 nan 0.000 0.267 233 P C 0.077 177.246 177.300 -0.219 0.000 1.205 233 P CA 0.223 63.239 63.100 -0.140 0.000 0.765 233 P CB 0.262 31.939 31.700 -0.039 0.000 0.828 234 H N 2.008 121.111 119.070 0.055 0.000 3.067 234 H HA 0.132 4.688 4.556 0.000 0.000 0.265 234 H C 1.232 176.573 175.328 0.021 0.000 1.234 234 H CA -0.154 55.913 56.048 0.031 0.000 1.452 234 H CB -0.260 29.517 29.762 0.025 0.000 1.527 234 H HN 0.327 nan 8.280 nan 0.000 0.486 235 L N 1.559 122.824 121.223 0.070 0.000 2.265 235 L HA -0.155 4.185 4.340 0.000 0.000 0.215 235 L C 2.409 179.301 176.870 0.037 0.000 1.117 235 L CA 0.856 55.719 54.840 0.039 0.000 0.782 235 L CB -0.344 41.722 42.059 0.012 0.000 0.914 235 L HN 0.707 nan 8.230 nan 0.000 0.441 236 A N 0.225 123.073 122.820 0.046 0.000 1.933 236 A HA -0.141 4.180 4.320 0.000 0.000 0.218 236 A C 2.097 179.687 177.584 0.011 0.000 1.175 236 A CA 2.249 54.299 52.037 0.021 0.000 0.628 236 A CB -0.412 18.599 19.000 0.018 0.000 0.814 236 A HN 0.365 nan 8.150 nan 0.000 0.444 237 V N -4.377 115.552 119.914 0.024 0.000 3.497 237 V HA 0.326 4.446 4.120 0.000 0.000 0.272 237 V C 0.163 176.265 176.094 0.014 0.000 1.474 237 V CA -0.128 62.168 62.300 -0.008 0.000 1.025 237 V CB -0.146 31.644 31.823 -0.054 0.000 0.820 237 V HN 0.369 nan 8.190 nan 0.000 0.437 238 E N 1.421 121.666 120.200 0.076 0.000 2.202 238 E HA 0.602 4.952 4.350 0.000 0.000 0.272 238 E C -0.806 175.846 176.600 0.088 0.000 0.951 238 E CA -0.744 55.737 56.400 0.135 0.000 0.813 238 E CB 2.511 32.355 29.700 0.240 0.000 1.151 238 E HN 0.286 nan 8.360 nan 0.000 0.398 239 R N 3.295 123.847 120.500 0.085 0.000 2.310 239 R HA 0.307 4.647 4.340 0.000 0.000 0.316 239 R C -2.620 173.680 176.300 -0.001 0.000 1.004 239 R CA -1.948 54.167 56.100 0.025 0.000 0.900 239 R CB 0.726 31.032 30.300 0.011 0.000 1.152 239 R HN 0.225 nan 8.270 nan 0.000 0.513 240 P HA 0.003 nan 4.420 nan 0.000 0.265 240 P C -0.043 177.181 177.300 -0.126 0.000 1.193 240 P CA 0.290 63.356 63.100 -0.057 0.000 0.765 240 P CB 0.777 32.445 31.700 -0.053 0.000 0.823 241 I N 0.877 121.348 120.570 -0.166 0.000 3.443 241 I HA 0.190 4.360 4.170 0.000 0.000 0.277 241 I C 0.101 175.791 176.117 -0.711 0.000 1.169 241 I CA 0.653 61.726 61.300 -0.378 0.000 1.419 241 I CB 0.196 38.049 38.000 -0.246 0.000 1.331 241 I HN 0.174 nan 8.210 nan 0.000 0.458 242 F N 0.560 120.493 119.950 -0.028 0.000 2.628 242 F HA 0.381 4.908 4.527 0.000 0.000 0.309 242 F C -0.447 175.341 175.800 -0.021 0.000 1.108 242 F CA -0.984 57.012 58.000 -0.008 0.000 0.971 242 F CB 1.496 40.506 39.000 0.017 0.000 1.279 242 F HN -0.195 nan 8.300 nan 0.000 0.441 243 E N 2.442 122.753 120.200 0.186 0.000 2.242 243 E HA 0.554 4.904 4.350 0.000 0.000 0.275 243 E C -0.889 175.743 176.600 0.054 0.000 1.002 243 E CA -0.723 55.724 56.400 0.077 0.000 0.841 243 E CB 2.021 31.743 29.700 0.036 0.000 1.109 243 E HN 0.400 nan 8.360 nan 0.000 0.394 244 I N 3.312 123.883 120.570 0.001 0.000 2.281 244 I HA 0.025 4.195 4.170 0.000 0.000 0.293 244 I C 0.908 176.995 176.117 -0.050 0.000 1.085 244 I CA -0.216 61.060 61.300 -0.040 0.000 1.257 244 I CB 0.621 38.585 38.000 -0.059 0.000 1.430 244 I HN 0.429 nan 8.210 nan 0.000 0.489 245 V N 3.835 123.713 119.914 -0.060 0.000 2.273 245 V HA -0.067 4.054 4.120 0.000 0.000 0.242 245 V C 0.999 177.054 176.094 -0.065 0.000 1.035 245 V CA 1.376 63.641 62.300 -0.058 0.000 1.013 245 V CB -0.316 31.467 31.823 -0.067 0.000 0.652 245 V HN 0.865 nan 8.190 nan 0.000 0.452 246 S N -0.741 114.909 115.700 -0.083 0.000 2.570 246 S HA 0.666 5.136 4.470 0.000 0.000 0.270 246 S C -0.674 173.874 174.600 -0.085 0.000 1.149 246 S CA -0.066 58.090 58.200 -0.073 0.000 0.837 246 S CB 2.341 65.502 63.200 -0.064 0.000 1.124 246 S HN 0.530 nan 8.310 nan 0.000 0.465 247 T N -1.408 113.105 114.554 -0.068 0.000 2.909 247 T HA 0.771 5.121 4.350 0.000 0.000 0.299 247 T C -1.574 173.101 174.700 -0.041 0.000 1.073 247 T CA -0.487 61.574 62.100 -0.065 0.000 0.999 247 T CB 1.611 70.439 68.868 -0.067 0.000 1.098 247 T HN 0.844 nan 8.240 nan 0.000 0.477 248 D N 0.275 120.658 120.400 -0.029 0.000 2.756 248 D HA 0.438 5.079 4.640 0.000 0.000 0.226 248 D C -1.288 175.015 176.300 0.005 0.000 1.186 248 D CA -0.422 53.575 54.000 -0.006 0.000 0.845 248 D CB 2.222 43.028 40.800 0.010 0.000 1.610 248 D HN 0.683 nan 8.370 nan 0.000 0.465 249 Q N 1.830 121.634 119.800 0.008 0.000 2.323 249 Q HA 0.621 4.961 4.340 0.000 0.000 0.271 249 Q C -1.610 174.402 176.000 0.021 0.000 1.048 249 Q CA -0.655 55.156 55.803 0.013 0.000 0.792 249 Q CB 1.798 30.538 28.738 0.004 0.000 1.280 249 Q HN 0.620 nan 8.270 nan 0.000 0.441 250 T N 0.702 115.274 114.554 0.030 0.000 2.916 250 T HA 0.591 4.941 4.350 0.000 0.000 0.305 250 T C -0.387 174.330 174.700 0.029 0.000 1.119 250 T CA -0.699 61.417 62.100 0.027 0.000 1.008 250 T CB 0.899 69.785 68.868 0.030 0.000 1.129 250 T HN 0.515 nan 8.240 nan 0.000 0.480 251 I N 2.470 123.053 120.570 0.022 0.000 2.365 251 I HA 0.311 4.482 4.170 0.000 0.000 0.291 251 I C 0.055 176.180 176.117 0.013 0.000 1.004 251 I CA -0.974 60.337 61.300 0.020 0.000 1.311 251 I CB 1.060 39.070 38.000 0.016 0.000 1.401 251 I HN 0.462 nan 8.210 nan 0.000 0.491 252 L N 8.653 129.882 121.223 0.010 0.000 2.331 252 L HA 0.331 4.671 4.340 0.000 0.000 0.278 252 L C -2.001 174.863 176.870 -0.009 0.000 1.106 252 L CA -1.842 52.995 54.840 -0.004 0.000 0.824 252 L CB 0.249 42.298 42.059 -0.016 0.000 1.142 252 L HN 0.316 nan 8.230 nan 0.000 0.443 253 P HA -0.013 nan 4.420 nan 0.000 0.268 253 P C -0.546 176.741 177.300 -0.021 0.000 1.204 253 P CA 0.056 63.148 63.100 -0.013 0.000 0.768 253 P CB 0.539 32.233 31.700 -0.011 0.000 0.842 254 D N 0.765 121.153 120.400 -0.020 0.000 2.772 254 D HA -0.115 4.525 4.640 0.000 0.000 0.233 254 D C 0.423 176.697 176.300 -0.043 0.000 1.143 254 D CA 1.641 55.624 54.000 -0.028 0.000 0.700 254 D CB -1.841 38.940 40.800 -0.033 0.000 1.076 254 D HN 0.606 nan 8.370 nan 0.000 0.430 255 T N -4.084 110.450 114.554 -0.033 0.000 3.231 255 T HA 0.192 4.542 4.350 0.000 0.000 0.292 255 T C 1.214 175.902 174.700 -0.020 0.000 1.001 255 T CA -0.101 61.974 62.100 -0.043 0.000 0.920 255 T CB 1.035 69.881 68.868 -0.038 0.000 1.140 255 T HN 0.184 nan 8.240 nan 0.000 0.525 256 E N 2.026 122.221 120.200 -0.008 0.000 2.118 256 E HA -0.149 4.201 4.350 0.000 0.000 0.195 256 E C 1.639 178.252 176.600 0.022 0.000 0.992 256 E CA 0.981 57.388 56.400 0.011 0.000 0.804 256 E CB 0.006 29.715 29.700 0.015 0.000 0.741 256 E HN 0.475 nan 8.360 nan 0.000 0.458 257 K N -0.393 120.015 120.400 0.013 0.000 2.487 257 K HA 0.086 4.406 4.320 0.000 0.000 0.192 257 K C 1.673 178.310 176.600 0.061 0.000 1.027 257 K CA 0.296 56.607 56.287 0.041 0.000 1.054 257 K CB 0.351 32.874 32.500 0.038 0.000 0.824 257 K HN 0.112 nan 8.250 nan 0.000 0.510 258 A N 1.114 123.953 122.820 0.032 0.000 1.902 258 A HA -0.052 4.268 4.320 0.000 0.000 0.217 258 A C 1.047 178.701 177.584 0.118 0.000 1.181 258 A CA 1.129 53.207 52.037 0.069 0.000 0.623 258 A CB 0.002 19.016 19.000 0.024 0.000 0.818 258 A HN 0.209 nan 8.150 nan 0.000 0.443 259 M N -0.539 119.113 119.600 0.087 0.000 2.183 259 M HA 0.352 4.832 4.480 0.000 0.000 0.277 259 M C -1.578 174.740 176.300 0.031 0.000 0.995 259 M CA -0.005 55.348 55.300 0.089 0.000 0.969 259 M CB 2.436 35.091 32.600 0.092 0.000 1.659 259 M HN 0.023 nan 8.290 nan 0.000 0.462 260 K N 3.704 124.096 120.400 -0.014 0.000 2.507 260 K HA 0.775 5.095 4.320 0.000 0.000 0.251 260 K C -1.779 174.600 176.600 -0.367 0.000 0.943 260 K CA -0.753 55.450 56.287 -0.139 0.000 0.794 260 K CB 2.674 35.130 32.500 -0.073 0.000 1.188 260 K HN 0.450 nan 8.250 nan 0.000 0.428 261 L N 3.719 124.668 121.223 -0.457 0.000 2.406 261 L HA 0.396 4.736 4.340 0.000 0.000 0.272 261 L C -0.766 175.826 176.870 -0.463 0.000 0.980 261 L CA -0.716 53.809 54.840 -0.525 0.000 0.831 261 L CB 1.393 43.185 42.059 -0.444 0.000 1.253 261 L HN 0.525 nan 8.230 nan 0.000 0.406 262 H N 3.193 122.204 119.070 -0.098 0.000 2.469 262 H HA 0.465 5.022 4.556 0.000 0.000 0.342 262 H C -0.877 174.407 175.328 -0.073 0.000 1.115 262 H CA -0.928 55.079 56.048 -0.067 0.000 1.204 262 H CB 2.804 32.540 29.762 -0.044 0.000 1.492 262 H HN 0.356 nan 8.280 nan 0.000 0.499 263 L N 4.558 125.818 121.223 0.061 0.000 2.282 263 L HA 0.262 4.602 4.340 0.000 0.000 0.287 263 L C -0.128 176.749 176.870 0.012 0.000 1.075 263 L CA -0.174 54.672 54.840 0.009 0.000 0.839 263 L CB -0.349 41.699 42.059 -0.018 0.000 1.219 263 L HN 0.452 nan 8.230 nan 0.000 0.434 264 R N 2.875 123.382 120.500 0.010 0.000 2.943 264 R HA 0.351 4.691 4.340 0.000 0.000 0.246 264 R C 0.782 177.076 176.300 -0.009 0.000 1.201 264 R CA -0.752 55.346 56.100 -0.003 0.000 1.056 264 R CB 0.389 30.684 30.300 -0.008 0.000 1.243 264 R HN 0.508 nan 8.270 nan 0.000 0.498 265 E N 0.490 120.680 120.200 -0.017 0.000 2.219 265 E HA -0.138 4.212 4.350 0.000 0.000 0.198 265 E C 1.349 177.942 176.600 -0.011 0.000 0.998 265 E CA 1.666 58.058 56.400 -0.015 0.000 0.818 265 E CB -0.098 29.591 29.700 -0.018 0.000 0.741 265 E HN 0.778 nan 8.360 nan 0.000 0.477 266 G N 0.046 108.834 108.800 -0.021 0.000 3.233 266 G HA2 0.375 4.335 3.960 0.000 0.000 0.227 266 G HA3 0.375 4.335 3.960 0.000 0.000 0.227 266 G C 0.519 175.461 174.900 0.070 0.000 1.175 266 G CA 0.172 45.264 45.100 -0.013 0.000 0.781 266 G HN 0.459 nan 8.290 nan 0.000 0.542 267 G N -0.591 108.245 108.800 0.059 0.000 2.526 267 G HA2 0.064 4.024 3.960 0.000 0.000 0.250 267 G HA3 0.064 4.024 3.960 0.000 0.000 0.250 267 G C -0.882 174.071 174.900 0.088 0.000 1.289 267 G CA -0.424 44.726 45.100 0.083 0.000 0.947 267 G HN 0.799 nan 8.290 nan 0.000 0.517 268 L N 1.954 123.227 121.223 0.084 0.000 2.283 268 L HA 0.615 4.956 4.340 0.000 0.000 0.287 268 L C 1.581 178.469 176.870 0.029 0.000 1.073 268 L CA 0.616 55.452 54.840 -0.006 0.000 0.822 268 L CB 0.188 42.185 42.059 -0.103 0.000 1.186 268 L HN 1.244 nan 8.230 nan 0.000 0.436 269 T N 1.574 116.080 114.554 -0.081 0.000 2.788 269 T HA 0.455 4.805 4.350 0.000 0.000 0.287 269 T C -0.129 174.410 174.700 -0.267 0.000 1.007 269 T CA -0.227 61.799 62.100 -0.123 0.000 1.005 269 T CB 0.552 69.382 68.868 -0.063 0.000 1.012 269 T HN 0.308 nan 8.240 nan 0.000 0.530 270 F N 0.407 120.350 119.950 -0.013 0.000 2.547 270 F HA 0.458 4.985 4.527 0.000 0.000 0.316 270 F C 0.114 175.950 175.800 0.060 0.000 1.121 270 F CA -0.779 57.243 58.000 0.036 0.000 0.911 270 F CB 2.517 41.587 39.000 0.118 0.000 1.179 270 F HN 0.681 nan 8.300 nan 0.000 0.443 271 Q N 5.016 124.949 119.800 0.221 0.000 2.414 271 Q HA 0.541 4.881 4.340 0.000 0.000 0.256 271 Q C -2.231 173.896 176.000 0.212 0.000 0.974 271 Q CA -0.800 55.118 55.803 0.193 0.000 0.723 271 Q CB 1.689 30.498 28.738 0.118 0.000 1.281 271 Q HN 0.709 nan 8.270 nan 0.000 0.470 272 L N 3.913 125.272 121.223 0.226 0.000 2.372 272 L HA 0.451 4.791 4.340 0.000 0.000 0.273 272 L C -1.285 175.668 176.870 0.139 0.000 0.989 272 L CA -0.372 54.593 54.840 0.209 0.000 0.841 272 L CB 1.451 43.658 42.059 0.247 0.000 1.225 272 L HN 0.742 nan 8.230 nan 0.000 0.414 273 H N 2.090 121.201 119.070 0.067 0.000 2.652 273 H HA 0.237 4.793 4.556 0.000 0.000 0.349 273 H C 1.159 176.498 175.328 0.020 0.000 1.099 273 H CA 0.413 56.483 56.048 0.037 0.000 1.417 273 H CB 1.161 30.939 29.762 0.025 0.000 1.457 273 H HN 0.693 nan 8.280 nan 0.000 0.568 274 R N 1.934 122.296 120.500 -0.231 0.000 2.152 274 R HA -0.099 4.241 4.340 0.000 0.000 0.232 274 R C 0.275 176.630 176.300 0.093 0.000 1.117 274 R CA 1.794 57.848 56.100 -0.077 0.000 0.981 274 R CB 0.166 30.364 30.300 -0.171 0.000 0.870 274 R HN 0.679 nan 8.270 nan 0.000 0.451 275 D N -0.280 120.336 120.400 0.360 0.000 2.325 275 D HA 0.004 4.644 4.640 0.000 0.000 0.225 275 D C 1.322 177.665 176.300 0.072 0.000 1.096 275 D CA 0.101 54.211 54.000 0.185 0.000 0.844 275 D CB 0.463 41.359 40.800 0.159 0.000 0.925 275 D HN 0.037 nan 8.370 nan 0.000 0.513 276 V N 2.194 122.158 119.914 0.082 0.000 2.252 276 V HA -0.222 3.899 4.120 0.000 0.000 0.249 276 V C -0.504 175.549 176.094 -0.068 0.000 1.056 276 V CA 1.992 64.297 62.300 0.009 0.000 1.022 276 V CB -1.194 30.651 31.823 0.037 0.000 0.641 276 V HN 0.222 nan 8.190 nan 0.000 0.445 277 P HA -0.158 nan 4.420 nan 0.000 0.216 277 P C 1.879 179.101 177.300 -0.129 0.000 1.150 277 P CA 1.569 64.597 63.100 -0.120 0.000 0.837 277 P CB -0.077 31.570 31.700 -0.088 0.000 0.786 278 L N -2.060 119.112 121.223 -0.085 0.000 2.240 278 L HA -0.025 4.315 4.340 0.000 0.000 0.211 278 L C 2.627 179.436 176.870 -0.101 0.000 1.106 278 L CA 1.050 55.840 54.840 -0.083 0.000 0.793 278 L CB -0.636 41.393 42.059 -0.050 0.000 0.927 278 L HN -0.066 nan 8.230 nan 0.000 0.446 279 M N -1.234 118.304 119.600 -0.104 0.000 2.175 279 M HA -0.175 4.305 4.480 0.000 0.000 0.264 279 M C 2.271 178.475 176.300 -0.159 0.000 1.063 279 M CA 1.296 56.528 55.300 -0.113 0.000 1.119 279 M CB -0.414 32.126 32.600 -0.101 0.000 1.377 279 M HN 0.052 nan 8.290 nan 0.000 0.415 280 V N 0.654 120.426 119.914 -0.236 0.000 2.295 280 V HA -0.252 3.868 4.120 0.000 0.000 0.246 280 V C 2.708 178.632 176.094 -0.284 0.000 1.049 280 V CA 2.055 64.135 62.300 -0.367 0.000 1.024 280 V CB -1.206 30.219 31.823 -0.663 0.000 0.648 280 V HN 0.523 nan 8.190 nan 0.000 0.447 281 A N -0.091 122.596 122.820 -0.222 0.000 1.908 281 A HA -0.290 4.030 4.320 0.000 0.000 0.218 281 A C 2.351 179.862 177.584 -0.122 0.000 1.181 281 A CA 2.230 54.168 52.037 -0.165 0.000 0.627 281 A CB -0.553 18.373 19.000 -0.123 0.000 0.818 281 A HN 0.548 nan 8.150 nan 0.000 0.445 282 K N -0.539 119.798 120.400 -0.105 0.000 2.152 282 K HA -0.155 4.166 4.320 0.000 0.000 0.206 282 K C 0.964 177.520 176.600 -0.073 0.000 1.048 282 K CA 1.685 57.927 56.287 -0.075 0.000 0.933 282 K CB -0.171 32.290 32.500 -0.065 0.000 0.721 282 K HN 0.540 nan 8.250 nan 0.000 0.447 283 N N 0.184 118.823 118.700 -0.102 0.000 2.197 283 N HA -0.019 4.721 4.740 0.000 0.000 0.201 283 N C 1.396 176.838 175.510 -0.113 0.000 1.148 283 N CA 0.104 53.101 53.050 -0.087 0.000 0.883 283 N CB 0.355 38.791 38.487 -0.084 0.000 1.012 283 N HN 0.117 nan 8.380 nan 0.000 0.507 284 I N 2.331 122.799 120.570 -0.172 0.000 2.353 284 I HA -0.178 3.992 4.170 0.000 0.000 0.248 284 I C 2.361 178.379 176.117 -0.164 0.000 1.119 284 I CA 1.323 62.471 61.300 -0.254 0.000 1.417 284 I CB -0.096 37.703 38.000 -0.334 0.000 1.078 284 I HN 0.015 nan 8.210 nan 0.000 0.421 285 E N 0.443 120.587 120.200 -0.093 0.000 2.110 285 E HA -0.295 4.056 4.350 0.000 0.000 0.193 285 E C 2.014 178.630 176.600 0.027 0.000 0.988 285 E CA 1.981 58.368 56.400 -0.021 0.000 0.804 285 E CB -0.514 29.238 29.700 0.086 0.000 0.745 285 E HN 0.587 nan 8.360 nan 0.000 0.458 286 N N -0.822 117.892 118.700 0.023 0.000 2.166 286 N HA -0.128 4.612 4.740 0.000 0.000 0.186 286 N C 1.601 177.141 175.510 0.050 0.000 1.019 286 N CA 1.478 54.555 53.050 0.046 0.000 0.856 286 N CB -0.229 38.272 38.487 0.024 0.000 0.993 286 N HN 0.302 nan 8.380 nan 0.000 0.426 287 A N 0.426 123.266 122.820 0.033 0.000 1.873 287 A HA 0.065 4.385 4.320 0.000 0.000 0.215 287 A C 2.315 180.002 177.584 0.172 0.000 1.186 287 A CA 1.600 53.702 52.037 0.108 0.000 0.616 287 A CB -1.186 17.866 19.000 0.088 0.000 0.823 287 A HN 0.411 nan 8.150 nan 0.000 0.442 288 A N -0.082 122.822 122.820 0.140 0.000 1.908 288 A HA -0.225 4.095 4.320 0.000 0.000 0.218 288 A C 1.928 179.465 177.584 -0.078 0.000 1.181 288 A CA 1.858 53.883 52.037 -0.019 0.000 0.627 288 A CB -0.597 18.146 19.000 -0.428 0.000 0.818 288 A HN 0.644 nan 8.150 nan 0.000 0.445 289 E N -0.715 119.511 120.200 0.042 0.000 2.106 289 E HA -0.184 4.166 4.350 0.000 0.000 0.192 289 E C 2.097 178.782 176.600 0.142 0.000 0.984 289 E CA 1.300 57.831 56.400 0.218 0.000 0.806 289 E CB -0.115 29.740 29.700 0.258 0.000 0.750 289 E HN 0.693 nan 8.360 nan 0.000 0.458 290 K N 0.660 121.116 120.400 0.093 0.000 2.148 290 K HA -0.087 4.233 4.320 0.000 0.000 0.204 290 K C 1.945 178.572 176.600 0.045 0.000 1.050 290 K CA 1.094 57.422 56.287 0.067 0.000 0.942 290 K CB 0.024 32.558 32.500 0.057 0.000 0.724 290 K HN 0.074 nan 8.250 nan 0.000 0.446 291 A N 0.711 123.550 122.820 0.033 0.000 1.903 291 A HA 0.064 4.384 4.320 0.000 0.000 0.213 291 A C 1.884 179.459 177.584 -0.015 0.000 1.185 291 A CA 0.692 52.720 52.037 -0.016 0.000 0.628 291 A CB -0.158 18.800 19.000 -0.070 0.000 0.830 291 A HN 0.286 nan 8.150 nan 0.000 0.446 292 L N -0.905 120.337 121.223 0.032 0.000 2.513 292 L HA 0.065 4.405 4.340 0.000 0.000 0.222 292 L C 2.453 179.400 176.870 0.128 0.000 1.096 292 L CA 0.369 55.257 54.840 0.079 0.000 0.857 292 L CB 0.005 42.168 42.059 0.173 0.000 1.026 292 L HN 0.241 nan 8.230 nan 0.000 0.469 293 S N 0.860 116.644 115.700 0.141 0.000 2.356 293 S HA -0.074 4.396 4.470 0.000 0.000 0.223 293 S C -0.518 174.121 174.600 0.066 0.000 1.032 293 S CA 1.391 59.661 58.200 0.116 0.000 1.005 293 S CB -0.904 62.363 63.200 0.112 0.000 0.867 293 S HN 0.293 nan 8.310 nan 0.000 0.449 294 P HA 0.000 nan 4.420 nan 0.000 0.223 294 P C 0.646 177.957 177.300 0.019 0.000 1.144 294 P CA 0.725 63.841 63.100 0.027 0.000 0.783 294 P CB 0.012 31.721 31.700 0.016 0.000 0.771 295 L N -1.917 119.320 121.223 0.022 0.000 2.592 295 L HA 0.357 4.697 4.340 0.000 0.000 0.227 295 L C 1.543 178.427 176.870 0.024 0.000 1.127 295 L CA 0.635 55.483 54.840 0.014 0.000 0.884 295 L CB -1.518 40.541 42.059 -0.000 0.000 1.065 295 L HN 0.107 nan 8.230 nan 0.000 0.457 296 G N 0.970 109.790 108.800 0.034 0.000 2.176 296 G HA2 -0.306 3.654 3.960 0.000 0.000 0.252 296 G HA3 -0.306 3.654 3.960 0.000 0.000 0.252 296 G C 0.237 175.160 174.900 0.039 0.000 1.024 296 G CA 0.636 45.755 45.100 0.031 0.000 0.755 296 G HN 0.391 nan 8.290 nan 0.000 0.507 297 I N -0.410 120.202 120.570 0.070 0.000 2.404 297 I HA 0.796 4.966 4.170 0.000 0.000 0.293 297 I C 0.944 177.138 176.117 0.127 0.000 0.992 297 I CA 0.277 61.632 61.300 0.091 0.000 1.149 297 I CB 1.936 40.001 38.000 0.109 0.000 1.315 297 I HN 0.251 nan 8.210 nan 0.000 0.446 298 T N 0.486 115.028 114.554 -0.020 0.000 2.966 298 T HA 0.234 4.584 4.350 0.000 0.000 0.254 298 T C 0.262 174.584 174.700 -0.630 0.000 0.961 298 T CA 0.028 61.943 62.100 -0.309 0.000 0.915 298 T CB -0.332 68.398 68.868 -0.230 0.000 1.186 298 T HN 0.589 nan 8.240 nan 0.000 0.505 299 D N 0.700 120.956 120.400 -0.240 0.000 2.365 299 D HA 0.223 4.864 4.640 0.000 0.000 0.237 299 D C 0.425 176.824 176.300 0.165 0.000 1.190 299 D CA -0.923 52.977 54.000 -0.166 0.000 0.867 299 D CB 0.276 41.051 40.800 -0.042 0.000 1.050 299 D HN 0.454 nan 8.370 nan 0.000 0.491 300 W N 2.486 123.906 121.300 0.200 0.000 2.374 300 W HA -0.093 4.567 4.660 0.000 0.000 0.288 300 W C 1.646 178.416 176.519 0.418 0.000 1.218 300 W CA -0.517 57.055 57.345 0.378 0.000 1.245 300 W CB -0.022 29.608 29.460 0.283 0.000 1.126 300 W HN 0.365 nan 8.180 nan 0.000 0.545 301 N N 0.410 119.368 118.700 0.431 0.000 2.515 301 N HA -0.088 4.652 4.740 0.000 0.000 0.185 301 N C 1.496 177.171 175.510 0.275 0.000 1.109 301 N CA 1.396 54.648 53.050 0.336 0.000 0.903 301 N CB -0.212 38.396 38.487 0.200 0.000 0.969 301 N HN 0.097 nan 8.380 nan 0.000 0.450 302 S N -0.524 115.322 115.700 0.244 0.000 2.631 302 S HA 0.116 4.586 4.470 0.000 0.000 0.217 302 S C 0.656 175.343 174.600 0.144 0.000 0.958 302 S CA -0.482 57.817 58.200 0.166 0.000 0.920 302 S CB -0.514 62.755 63.200 0.115 0.000 0.776 302 S HN 0.049 nan 8.310 nan 0.000 0.517 303 V N -1.209 118.794 119.914 0.150 0.000 3.040 303 V HA 0.901 5.021 4.120 0.000 0.000 0.312 303 V C -0.545 175.460 176.094 -0.148 0.000 1.115 303 V CA -1.788 60.447 62.300 -0.108 0.000 0.998 303 V CB 1.185 32.744 31.823 -0.441 0.000 1.042 303 V HN 0.307 nan 8.190 nan 0.000 0.433 304 F N 0.504 120.271 119.950 -0.304 0.000 2.377 304 F HA 0.930 5.457 4.527 0.000 0.000 0.328 304 F C -1.009 174.507 175.800 -0.474 0.000 1.094 304 F CA -1.591 56.290 58.000 -0.198 0.000 1.093 304 F CB 0.942 39.899 39.000 -0.072 0.000 1.214 304 F HN 0.589 nan 8.300 nan 0.000 0.518 305 W N 2.934 124.258 121.300 0.041 0.000 2.839 305 W HA 0.684 5.344 4.660 0.000 0.000 0.334 305 W C -1.338 175.174 176.519 -0.012 0.000 1.064 305 W CA -0.824 56.466 57.345 -0.092 0.000 1.236 305 W CB 2.286 31.734 29.460 -0.020 0.000 1.405 305 W HN 0.365 nan 8.180 nan 0.000 0.478 306 M N 3.824 123.488 119.600 0.107 0.000 2.046 306 M HA 0.426 4.906 4.480 0.000 0.000 0.309 306 M C -1.068 175.303 176.300 0.119 0.000 0.935 306 M CA -0.568 54.788 55.300 0.094 0.000 0.915 306 M CB 1.333 33.924 32.600 -0.016 0.000 1.474 306 M HN -0.005 nan 8.290 nan 0.000 0.415 307 V N 1.787 121.819 119.914 0.195 0.000 2.409 307 V HA 0.233 4.353 4.120 0.000 0.000 0.291 307 V C -0.264 175.953 176.094 0.205 0.000 1.020 307 V CA -0.814 61.647 62.300 0.269 0.000 0.848 307 V CB 1.205 33.235 31.823 0.346 0.000 0.990 307 V HN 0.739 nan 8.190 nan 0.000 0.430 308 H N 8.232 127.343 119.070 0.069 0.000 3.107 308 H HA 0.118 4.674 4.556 0.000 0.000 0.301 308 H C -2.112 173.346 175.328 0.216 0.000 0.981 308 H CA -1.011 55.087 56.048 0.083 0.000 1.443 308 H CB 1.027 30.769 29.762 -0.034 0.000 1.479 308 H HN 0.393 nan 8.280 nan 0.000 0.564 309 P HA 0.117 nan 4.420 nan 0.000 0.232 309 P C 0.807 177.887 177.300 -0.367 0.000 1.814 309 P CA -0.023 62.925 63.100 -0.253 0.000 1.085 309 P CB 0.446 32.051 31.700 -0.157 0.000 1.901 310 G N 1.721 110.451 108.800 -0.117 0.000 2.448 310 G HA2 0.130 4.090 3.960 0.000 0.000 0.219 310 G HA3 0.130 4.090 3.960 0.000 0.000 0.219 310 G C 0.683 175.557 174.900 -0.042 0.000 1.127 310 G CA 0.540 45.701 45.100 0.102 0.000 0.766 310 G HN 0.642 nan 8.290 nan 0.000 0.552 311 G N -2.213 106.544 108.800 -0.072 0.000 2.576 311 G HA2 0.396 4.356 3.960 0.000 0.000 0.290 311 G HA3 0.396 4.356 3.960 0.000 0.000 0.290 311 G C 0.297 175.146 174.900 -0.086 0.000 1.442 311 G CA -0.185 44.847 45.100 -0.112 0.000 0.792 311 G HN 0.001 nan 8.290 nan 0.000 0.491 312 R N -0.089 120.356 120.500 -0.091 0.000 2.127 312 R HA -0.104 4.236 4.340 0.000 0.000 0.238 312 R C 2.525 178.790 176.300 -0.057 0.000 1.134 312 R CA 2.215 58.275 56.100 -0.068 0.000 0.975 312 R CB -0.388 29.869 30.300 -0.071 0.000 0.865 312 R HN 0.583 nan 8.270 nan 0.000 0.447 313 A N 0.878 123.660 122.820 -0.065 0.000 1.969 313 A HA -0.092 4.228 4.320 0.000 0.000 0.218 313 A C 2.130 179.672 177.584 -0.071 0.000 1.169 313 A CA 0.995 52.994 52.037 -0.063 0.000 0.635 313 A CB -0.339 18.624 19.000 -0.062 0.000 0.810 313 A HN 0.326 nan 8.150 nan 0.000 0.445 314 I N -0.357 120.168 120.570 -0.075 0.000 2.226 314 I HA -0.261 3.910 4.170 0.000 0.000 0.245 314 I C 2.351 178.431 176.117 -0.061 0.000 1.100 314 I CA 1.039 62.277 61.300 -0.103 0.000 1.374 314 I CB -0.329 37.616 38.000 -0.092 0.000 1.057 314 I HN 0.309 nan 8.210 nan 0.000 0.413 315 L N 0.214 121.427 121.223 -0.017 0.000 1.994 315 L HA -0.231 4.109 4.340 0.000 0.000 0.208 315 L C 2.263 179.117 176.870 -0.026 0.000 1.071 315 L CA 1.350 56.195 54.840 0.009 0.000 0.745 315 L CB -0.830 41.239 42.059 0.016 0.000 0.892 315 L HN 0.236 nan 8.230 nan 0.000 0.431 316 D N -0.298 120.080 120.400 -0.037 0.000 2.133 316 D HA -0.211 4.429 4.640 0.000 0.000 0.195 316 D C 2.357 178.622 176.300 -0.058 0.000 0.997 316 D CA 1.121 55.096 54.000 -0.042 0.000 0.840 316 D CB -0.217 40.559 40.800 -0.041 0.000 0.947 316 D HN 0.323 nan 8.370 nan 0.000 0.452 317 Q N 0.178 119.932 119.800 -0.076 0.000 2.079 317 Q HA -0.060 4.280 4.340 0.000 0.000 0.200 317 Q C 2.540 178.473 176.000 -0.111 0.000 0.974 317 Q CA 0.542 56.288 55.803 -0.094 0.000 0.840 317 Q CB -0.328 28.337 28.738 -0.121 0.000 0.898 317 Q HN 0.250 nan 8.270 nan 0.000 0.430 318 V N 1.412 121.254 119.914 -0.119 0.000 2.307 318 V HA -0.243 3.877 4.120 0.000 0.000 0.245 318 V C 2.363 178.364 176.094 -0.155 0.000 1.045 318 V CA 2.012 64.228 62.300 -0.141 0.000 1.024 318 V CB -0.557 31.221 31.823 -0.075 0.000 0.651 318 V HN 0.428 nan 8.190 nan 0.000 0.449 319 E N 0.529 120.660 120.200 -0.114 0.000 2.058 319 E HA -0.305 4.045 4.350 0.000 0.000 0.194 319 E C 2.425 178.976 176.600 -0.082 0.000 0.997 319 E CA 1.846 58.179 56.400 -0.111 0.000 0.801 319 E CB -0.132 29.532 29.700 -0.061 0.000 0.746 319 E HN 0.553 nan 8.360 nan 0.000 0.450 320 R N 0.551 121.014 120.500 -0.063 0.000 2.062 320 R HA -0.167 4.173 4.340 0.000 0.000 0.231 320 R C 2.322 178.602 176.300 -0.033 0.000 1.136 320 R CA 1.858 57.934 56.100 -0.040 0.000 0.948 320 R CB -0.149 30.128 30.300 -0.039 0.000 0.845 320 R HN -0.092 nan 8.270 nan 0.000 0.430 321 K N 0.516 120.884 120.400 -0.053 0.000 2.097 321 K HA -0.022 4.298 4.320 0.000 0.000 0.206 321 K C 1.789 178.389 176.600 -0.001 0.000 1.049 321 K CA 1.313 57.578 56.287 -0.037 0.000 0.933 321 K CB -0.018 32.440 32.500 -0.070 0.000 0.717 321 K HN 0.276 nan 8.250 nan 0.000 0.442 322 L N 0.017 121.212 121.223 -0.048 0.000 2.591 322 L HA 0.090 4.430 4.340 0.000 0.000 0.228 322 L C 0.334 177.306 176.870 0.170 0.000 1.133 322 L CA -0.080 54.786 54.840 0.044 0.000 0.880 322 L CB -0.387 41.487 42.059 -0.308 0.000 1.033 322 L HN 0.316 nan 8.230 nan 0.000 0.450 323 N N 1.050 119.786 118.700 0.060 0.000 2.740 323 N HA -0.199 4.541 4.740 0.000 0.000 0.248 323 N C -0.268 175.272 175.510 0.051 0.000 1.062 323 N CA 0.417 53.498 53.050 0.052 0.000 0.704 323 N CB -1.328 37.200 38.487 0.067 0.000 0.968 323 N HN 0.243 nan 8.380 nan 0.000 0.547 324 L N 0.384 121.607 121.223 -0.000 0.000 2.461 324 L HA 0.060 4.400 4.340 0.000 0.000 0.272 324 L C 1.513 178.402 176.870 0.032 0.000 1.197 324 L CA -0.109 54.733 54.840 0.002 0.000 0.836 324 L CB 0.288 42.279 42.059 -0.112 0.000 1.105 324 L HN 0.217 nan 8.230 nan 0.000 0.477 325 K N 1.264 121.703 120.400 0.065 0.000 2.230 325 K HA 0.125 4.445 4.320 0.000 0.000 0.253 325 K C 1.097 177.727 176.600 0.050 0.000 1.008 325 K CA 0.253 56.574 56.287 0.057 0.000 0.910 325 K CB 0.197 32.737 32.500 0.067 0.000 0.994 325 K HN 0.643 nan 8.250 nan 0.000 0.495 326 E N 1.731 121.956 120.200 0.042 0.000 2.169 326 E HA -0.257 4.093 4.350 0.000 0.000 0.202 326 E C 1.110 177.739 176.600 0.048 0.000 1.016 326 E CA 2.370 58.793 56.400 0.037 0.000 0.817 326 E CB -1.008 28.712 29.700 0.033 0.000 0.736 326 E HN 0.850 nan 8.360 nan 0.000 0.462 327 D N -1.536 118.902 120.400 0.063 0.000 2.402 327 D HA 0.073 4.713 4.640 0.000 0.000 0.216 327 D C 1.327 177.689 176.300 0.103 0.000 1.128 327 D CA 0.016 54.061 54.000 0.075 0.000 0.833 327 D CB 0.606 41.448 40.800 0.070 0.000 0.971 327 D HN 0.132 nan 8.370 nan 0.000 0.503 328 K N 0.563 121.031 120.400 0.114 0.000 2.103 328 K HA 0.026 4.346 4.320 0.000 0.000 0.207 328 K C 1.465 178.175 176.600 0.184 0.000 1.048 328 K CA 0.655 57.048 56.287 0.177 0.000 0.930 328 K CB -0.204 32.407 32.500 0.185 0.000 0.716 328 K HN 0.345 nan 8.250 nan 0.000 0.444 329 L N 1.096 122.394 121.223 0.124 0.000 2.688 329 L HA 0.157 4.497 4.340 0.000 0.000 0.234 329 L C 2.165 179.111 176.870 0.127 0.000 1.192 329 L CA -0.134 54.785 54.840 0.131 0.000 0.984 329 L CB -0.121 41.989 42.059 0.084 0.000 1.232 329 L HN 0.128 nan 8.230 nan 0.000 0.465 330 R N 1.382 121.957 120.500 0.124 0.000 2.094 330 R HA -0.219 4.121 4.340 0.000 0.000 0.239 330 R C 2.213 178.604 176.300 0.151 0.000 1.137 330 R CA 1.911 58.083 56.100 0.119 0.000 0.943 330 R CB -0.075 30.284 30.300 0.099 0.000 0.850 330 R HN 0.387 nan 8.270 nan 0.000 0.433 331 A N 0.200 123.106 122.820 0.143 0.000 1.908 331 A HA -0.148 4.172 4.320 0.000 0.000 0.218 331 A C 2.256 179.960 177.584 0.199 0.000 1.181 331 A CA 2.035 54.165 52.037 0.156 0.000 0.627 331 A CB -0.479 18.597 19.000 0.127 0.000 0.818 331 A HN 0.483 nan 8.150 nan 0.000 0.445 332 S N -0.431 115.370 115.700 0.168 0.000 2.368 332 S HA -0.119 4.351 4.470 0.000 0.000 0.224 332 S C 2.015 176.690 174.600 0.125 0.000 1.029 332 S CA 1.264 59.550 58.200 0.144 0.000 0.988 332 S CB -0.293 62.987 63.200 0.132 0.000 0.838 332 S HN 0.618 nan 8.310 nan 0.000 0.462 333 R N 0.046 120.618 120.500 0.119 0.000 2.115 333 R HA -0.061 4.279 4.340 0.000 0.000 0.230 333 R C 2.265 178.624 176.300 0.098 0.000 1.111 333 R CA 1.313 57.462 56.100 0.083 0.000 0.976 333 R CB -0.346 29.995 30.300 0.068 0.000 0.870 333 R HN 0.551 nan 8.270 nan 0.000 0.445 334 H N 0.471 119.585 119.070 0.074 0.000 2.326 334 H HA -0.087 4.469 4.556 0.000 0.000 0.301 334 H C 1.955 177.362 175.328 0.131 0.000 1.081 334 H CA 1.863 57.963 56.048 0.087 0.000 1.334 334 H CB 0.081 29.904 29.762 0.101 0.000 1.385 334 H HN 0.075 nan 8.280 nan 0.000 0.504 335 V N -0.381 119.707 119.914 0.289 0.000 2.719 335 V HA -0.065 4.055 4.120 0.000 0.000 0.252 335 V C 2.190 178.404 176.094 0.200 0.000 1.065 335 V CA 1.383 63.899 62.300 0.361 0.000 1.086 335 V CB -0.687 31.385 31.823 0.415 0.000 0.700 335 V HN 0.420 nan 8.190 nan 0.000 0.467 336 L N 1.160 122.429 121.223 0.077 0.000 2.046 336 L HA -0.064 4.277 4.340 0.000 0.000 0.208 336 L C 2.674 179.517 176.870 -0.045 0.000 1.077 336 L CA 2.572 57.410 54.840 -0.003 0.000 0.747 336 L CB -0.904 41.134 42.059 -0.035 0.000 0.896 336 L HN 0.468 nan 8.230 nan 0.000 0.432 337 S N -1.015 114.638 115.700 -0.078 0.000 2.355 337 S HA -0.133 4.337 4.470 0.000 0.000 0.222 337 S C 1.847 176.328 174.600 -0.198 0.000 1.031 337 S CA 1.273 59.389 58.200 -0.139 0.000 0.993 337 S CB -0.287 62.813 63.200 -0.165 0.000 0.859 337 S HN 0.582 nan 8.310 nan 0.000 0.453 338 E N -0.787 119.249 120.200 -0.274 0.000 2.371 338 E HA 0.060 4.410 4.350 0.000 0.000 0.194 338 E C 0.655 176.932 176.600 -0.537 0.000 1.012 338 E CA 0.711 56.844 56.400 -0.444 0.000 0.860 338 E CB 0.054 29.385 29.700 -0.614 0.000 0.811 338 E HN 0.758 nan 8.360 nan 0.000 0.502 339 Y N -0.970 119.326 120.300 -0.007 0.000 2.437 339 Y HA 0.315 4.865 4.550 0.000 0.000 0.266 339 Y C 1.176 177.047 175.900 -0.048 0.000 1.077 339 Y CA 0.151 58.268 58.100 0.028 0.000 1.235 339 Y CB 1.139 39.576 38.460 -0.039 0.000 1.303 339 Y HN 0.045 nan 8.280 nan 0.000 0.536 340 G N 1.701 110.533 108.800 0.053 0.000 2.725 340 G HA2 -0.297 3.663 3.960 0.000 0.000 0.220 340 G HA3 -0.297 3.663 3.960 0.000 0.000 0.220 340 G C -0.781 174.110 174.900 -0.016 0.000 1.357 340 G CA -0.464 44.620 45.100 -0.026 0.000 0.866 340 G HN 0.271 nan 8.290 nan 0.000 0.548 341 N N 0.308 118.979 118.700 -0.050 0.000 2.405 341 N HA 0.317 5.057 4.740 0.000 0.000 0.260 341 N C 1.110 176.720 175.510 0.166 0.000 1.152 341 N CA -0.256 52.794 53.050 0.001 0.000 0.948 341 N CB 0.242 38.684 38.487 -0.075 0.000 1.111 341 N HN 0.548 nan 8.380 nan 0.000 0.485 342 L N 6.030 127.299 121.223 0.077 0.000 2.737 342 L HA 0.228 4.568 4.340 0.000 0.000 0.236 342 L C 1.139 178.081 176.870 0.119 0.000 1.219 342 L CA -0.175 54.679 54.840 0.023 0.000 1.021 342 L CB -0.799 41.083 42.059 -0.295 0.000 1.291 342 L HN 0.585 nan 8.230 nan 0.000 0.470 343 I N -1.653 119.097 120.570 0.299 0.000 4.909 343 I HA -0.528 3.642 4.170 0.000 0.000 0.038 343 I C 1.949 178.140 176.117 0.124 0.000 0.635 343 I CA 1.401 62.845 61.300 0.240 0.000 0.199 343 I CB -1.220 36.849 38.000 0.116 0.000 0.317 343 I HN 0.454 nan 8.210 nan 0.000 0.150 344 S N 1.267 116.991 115.700 0.040 0.000 2.442 344 S HA 0.057 4.527 4.470 0.000 0.000 0.236 344 S C 1.628 176.243 174.600 0.024 0.000 1.007 344 S CA 1.006 59.208 58.200 0.003 0.000 0.965 344 S CB -0.319 62.874 63.200 -0.012 0.000 0.773 344 S HN 0.865 nan 8.310 nan 0.000 0.504 345 A N 0.184 123.028 122.820 0.039 0.000 2.123 345 A HA 0.135 4.456 4.320 0.000 0.000 0.214 345 A C 2.260 179.906 177.584 0.104 0.000 1.152 345 A CA 0.620 52.703 52.037 0.077 0.000 0.728 345 A CB -1.353 17.696 19.000 0.083 0.000 0.814 345 A HN 0.649 nan 8.150 nan 0.000 0.464 346 C N -0.134 119.205 119.300 0.066 0.000 2.401 346 C HA -0.153 4.308 4.460 0.000 0.000 0.276 346 C C 2.802 177.873 174.990 0.137 0.000 1.233 346 C CA 1.860 60.911 59.018 0.054 0.000 1.753 346 C CB -1.224 26.593 27.740 0.129 0.000 2.029 346 C HN 0.691 nan 8.230 nan 0.000 0.478 347 V N -0.448 119.565 119.914 0.165 0.000 2.809 347 V HA -0.062 4.058 4.120 0.000 0.000 0.256 347 V C 2.064 178.215 176.094 0.095 0.000 1.080 347 V CA 1.934 64.303 62.300 0.115 0.000 1.102 347 V CB -0.972 30.888 31.823 0.063 0.000 0.705 347 V HN 0.608 nan 8.190 nan 0.000 0.475 348 L N -1.571 119.723 121.223 0.118 0.000 2.179 348 L HA 0.093 4.433 4.340 0.000 0.000 0.208 348 L C 2.506 179.454 176.870 0.129 0.000 1.096 348 L CA 1.398 56.292 54.840 0.089 0.000 0.779 348 L CB -0.587 41.507 42.059 0.057 0.000 0.922 348 L HN 0.223 nan 8.230 nan 0.000 0.443 349 F N 0.217 120.135 119.950 -0.053 0.000 2.234 349 F HA -0.151 4.376 4.527 0.000 0.000 0.299 349 F C 2.334 178.136 175.800 0.004 0.000 1.087 349 F CA 0.895 58.850 58.000 -0.075 0.000 1.340 349 F CB -0.098 38.791 39.000 -0.185 0.000 1.031 349 F HN -0.053 nan 8.300 nan 0.000 0.500 350 I N -0.080 120.623 120.570 0.221 0.000 2.252 350 I HA -0.296 3.875 4.170 0.000 0.000 0.245 350 I C 2.201 178.386 176.117 0.114 0.000 1.102 350 I CA 1.272 62.671 61.300 0.164 0.000 1.385 350 I CB -0.405 37.677 38.000 0.137 0.000 1.064 350 I HN 0.086 nan 8.210 nan 0.000 0.414 351 I N 0.709 121.323 120.570 0.072 0.000 2.264 351 I HA -0.330 3.840 4.170 0.000 0.000 0.248 351 I C 2.182 178.375 176.117 0.127 0.000 1.111 351 I CA 1.547 62.876 61.300 0.048 0.000 1.382 351 I CB -0.378 37.620 38.000 -0.002 0.000 1.060 351 I HN 0.267 nan 8.210 nan 0.000 0.418 352 D N 0.494 120.939 120.400 0.074 0.000 2.149 352 D HA -0.214 4.426 4.640 0.000 0.000 0.201 352 D C 2.012 178.342 176.300 0.050 0.000 0.972 352 D CA 1.015 55.038 54.000 0.038 0.000 0.835 352 D CB 0.079 40.839 40.800 -0.066 0.000 0.966 352 D HN 0.204 nan 8.370 nan 0.000 0.476 353 E N -0.075 120.171 120.200 0.077 0.000 2.051 353 E HA -0.122 4.228 4.350 0.000 0.000 0.192 353 E C 2.046 178.669 176.600 0.039 0.000 0.991 353 E CA 1.095 57.534 56.400 0.066 0.000 0.799 353 E CB -0.459 29.316 29.700 0.126 0.000 0.748 353 E HN 0.130 nan 8.360 nan 0.000 0.449 354 V N 1.316 121.275 119.914 0.075 0.000 2.255 354 V HA -0.324 3.796 4.120 0.000 0.000 0.247 354 V C 2.558 178.677 176.094 0.043 0.000 1.051 354 V CA 2.633 64.972 62.300 0.065 0.000 1.018 354 V CB -0.757 31.124 31.823 0.096 0.000 0.641 354 V HN 0.425 nan 8.190 nan 0.000 0.445 355 R N 0.948 121.508 120.500 0.099 0.000 2.092 355 R HA -0.093 4.247 4.340 0.000 0.000 0.231 355 R C 2.057 178.331 176.300 -0.044 0.000 1.119 355 R CA 1.484 57.579 56.100 -0.008 0.000 0.970 355 R CB -0.618 29.647 30.300 -0.059 0.000 0.864 355 R HN 0.361 nan 8.270 nan 0.000 0.440 356 K N 0.051 120.438 120.400 -0.022 0.000 2.062 356 K HA -0.048 4.272 4.320 0.000 0.000 0.205 356 K C 2.264 178.841 176.600 -0.039 0.000 1.051 356 K CA 1.263 57.531 56.287 -0.032 0.000 0.941 356 K CB -0.094 32.395 32.500 -0.019 0.000 0.719 356 K HN 0.022 nan 8.250 nan 0.000 0.440 357 R N 1.179 121.653 120.500 -0.043 0.000 2.115 357 R HA -0.007 4.333 4.340 0.000 0.000 0.230 357 R C 2.004 178.277 176.300 -0.045 0.000 1.111 357 R CA 1.585 57.655 56.100 -0.051 0.000 0.976 357 R CB -0.381 29.879 30.300 -0.066 0.000 0.870 357 R HN -0.006 nan 8.270 nan 0.000 0.445 358 S N -0.160 115.508 115.700 -0.053 0.000 2.383 358 S HA -0.060 4.410 4.470 0.000 0.000 0.227 358 S C 1.797 176.358 174.600 -0.065 0.000 1.026 358 S CA 1.463 59.623 58.200 -0.067 0.000 0.981 358 S CB -0.106 63.033 63.200 -0.103 0.000 0.818 358 S HN 0.318 nan 8.310 nan 0.000 0.472 359 M N 0.809 120.369 119.600 -0.067 0.000 2.236 359 M HA 0.063 4.543 4.480 0.000 0.000 0.266 359 M C 2.443 178.717 176.300 -0.043 0.000 1.070 359 M CA 1.004 56.267 55.300 -0.061 0.000 1.137 359 M CB -0.420 32.140 32.600 -0.068 0.000 1.378 359 M HN 0.366 nan 8.290 nan 0.000 0.426 360 A N 0.458 123.256 122.820 -0.037 0.000 1.969 360 A HA -0.142 4.178 4.320 0.000 0.000 0.218 360 A C 1.782 179.352 177.584 -0.023 0.000 1.169 360 A CA 1.483 53.504 52.037 -0.027 0.000 0.635 360 A CB -0.526 18.460 19.000 -0.024 0.000 0.810 360 A HN 0.530 nan 8.150 nan 0.000 0.445 361 E N -1.502 118.683 120.200 -0.026 0.000 2.478 361 E HA 0.259 4.609 4.350 0.000 0.000 0.194 361 E C 1.019 177.606 176.600 -0.021 0.000 1.045 361 E CA 0.220 56.609 56.400 -0.019 0.000 0.868 361 E CB -0.052 29.637 29.700 -0.017 0.000 0.885 361 E HN 0.706 nan 8.360 nan 0.000 0.505 362 G N 2.385 111.168 108.800 -0.027 0.000 2.176 362 G HA2 -0.258 3.702 3.960 0.000 0.000 0.252 362 G HA3 -0.258 3.702 3.960 0.000 0.000 0.252 362 G C 0.126 175.008 174.900 -0.030 0.000 1.024 362 G CA 0.033 45.116 45.100 -0.028 0.000 0.755 362 G HN -0.021 nan 8.290 nan 0.000 0.507 363 K N 0.571 120.949 120.400 -0.037 0.000 2.286 363 K HA 0.314 4.634 4.320 0.000 0.000 0.256 363 K C 1.885 178.457 176.600 -0.046 0.000 0.999 363 K CA 0.436 56.699 56.287 -0.039 0.000 0.908 363 K CB 0.548 33.018 32.500 -0.049 0.000 0.981 363 K HN 0.537 nan 8.250 nan 0.000 0.500 364 S N -1.290 114.386 115.700 -0.039 0.000 2.489 364 S HA -0.054 4.416 4.470 0.000 0.000 0.228 364 S C 0.935 175.501 174.600 -0.057 0.000 0.995 364 S CA 0.582 58.758 58.200 -0.039 0.000 0.934 364 S CB -0.325 62.861 63.200 -0.024 0.000 0.771 364 S HN 0.741 nan 8.310 nan 0.000 0.522 365 T N -1.800 112.707 114.554 -0.078 0.000 2.865 365 T HA 0.494 4.844 4.350 0.000 0.000 0.294 365 T C 0.795 175.389 174.700 -0.176 0.000 1.119 365 T CA -0.027 62.006 62.100 -0.112 0.000 1.007 365 T CB 1.286 70.103 68.868 -0.085 0.000 1.225 365 T HN 0.109 nan 8.240 nan 0.000 0.515 366 T N -2.014 112.380 114.554 -0.266 0.000 3.113 366 T HA 0.220 4.570 4.350 0.000 0.000 0.263 366 T C 1.282 175.782 174.700 -0.334 0.000 1.143 366 T CA 0.542 62.420 62.100 -0.370 0.000 1.090 366 T CB -0.527 67.914 68.868 -0.711 0.000 0.922 366 T HN 1.047 nan 8.240 nan 0.000 0.521 367 G N 1.046 109.600 108.800 -0.409 0.000 4.649 367 G HA2 0.459 4.420 3.960 0.000 0.000 0.312 367 G HA3 0.459 4.420 3.960 0.000 0.000 0.312 367 G C -0.153 174.388 174.900 -0.598 0.000 1.403 367 G CA -0.775 43.709 45.100 -1.026 0.000 1.248 367 G HN 0.442 nan 8.290 nan 0.000 0.581 368 E N -0.610 119.419 120.200 -0.286 0.000 2.722 368 E HA -0.285 4.065 4.350 0.000 0.000 0.265 368 E C 1.524 178.094 176.600 -0.050 0.000 1.081 368 E CA 0.698 57.034 56.400 -0.106 0.000 0.781 368 E CB -1.323 28.362 29.700 -0.025 0.000 1.372 368 E HN 1.411 nan 8.360 nan 0.000 0.423 369 G N -0.806 107.951 108.800 -0.072 0.000 2.176 369 G HA2 -0.322 3.638 3.960 0.000 0.000 0.253 369 G HA3 -0.322 3.638 3.960 0.000 0.000 0.253 369 G C 0.287 175.192 174.900 0.008 0.000 0.979 369 G CA 0.552 45.635 45.100 -0.028 0.000 0.641 369 G HN 0.247 nan 8.290 nan 0.000 0.530 370 L N -0.324 120.919 121.223 0.033 0.000 2.365 370 L HA 0.636 4.977 4.340 0.000 0.000 0.267 370 L C 1.028 177.990 176.870 0.154 0.000 1.033 370 L CA -1.011 53.900 54.840 0.118 0.000 0.802 370 L CB 0.818 43.010 42.059 0.222 0.000 1.267 370 L HN -0.112 nan 8.230 nan 0.000 0.457 371 D N -0.985 119.514 120.400 0.164 0.000 2.338 371 D HA 0.096 4.736 4.640 0.000 0.000 0.224 371 D C -0.045 176.384 176.300 0.216 0.000 0.967 371 D CA 0.759 54.850 54.000 0.152 0.000 0.896 371 D CB 0.326 41.174 40.800 0.080 0.000 1.028 371 D HN 0.345 nan 8.370 nan 0.000 0.493 372 C N 0.143 119.519 119.300 0.128 0.000 2.529 372 C HA 0.891 5.351 4.460 0.000 0.000 0.329 372 C C 0.654 175.336 174.990 -0.514 0.000 1.194 372 C CA -0.619 58.357 59.018 -0.070 0.000 1.779 372 C CB 1.409 29.066 27.740 -0.139 0.000 2.322 372 C HN 0.306 nan 8.230 nan 0.000 0.500 373 G N 0.502 108.672 108.800 -1.050 0.000 2.672 373 G HA2 0.693 4.654 3.960 0.000 0.000 0.292 373 G HA3 0.693 4.654 3.960 0.000 0.000 0.292 373 G C -1.927 172.234 174.900 -1.232 0.000 1.375 373 G CA -0.283 43.650 45.100 -1.944 0.000 0.890 373 G HN 0.636 nan 8.290 nan 0.000 0.476 374 V N 1.745 120.888 119.914 -1.285 0.000 2.531 374 V HA 0.563 4.683 4.120 0.000 0.000 0.301 374 V C -0.778 174.827 176.094 -0.816 0.000 1.034 374 V CA -0.887 60.792 62.300 -1.034 0.000 0.865 374 V CB 1.593 32.640 31.823 -1.294 0.000 0.995 374 V HN 0.751 nan 8.190 nan 0.000 0.424 375 L N 5.687 126.515 121.223 -0.658 0.000 2.329 375 L HA 0.726 5.066 4.340 0.000 0.000 0.279 375 L C -1.436 175.158 176.870 -0.460 0.000 1.014 375 L CA -0.367 54.208 54.840 -0.440 0.000 0.814 375 L CB 1.077 42.951 42.059 -0.308 0.000 1.257 375 L HN 0.532 nan 8.230 nan 0.000 0.424 376 F N 2.555 122.407 119.950 -0.163 0.000 2.540 376 F HA 0.698 5.225 4.527 0.000 0.000 0.317 376 F C 0.775 176.249 175.800 -0.545 0.000 1.104 376 F CA -0.787 57.006 58.000 -0.345 0.000 0.913 376 F CB 2.546 41.307 39.000 -0.397 0.000 1.170 376 F HN 0.667 nan 8.300 nan 0.000 0.450 377 G N 2.161 110.736 108.800 -0.374 0.000 2.452 377 G HA2 0.698 4.658 3.960 0.000 0.000 0.324 377 G HA3 0.698 4.658 3.960 0.000 0.000 0.324 377 G C -1.878 172.669 174.900 -0.588 0.000 1.214 377 G CA -0.430 44.401 45.100 -0.447 0.000 0.947 377 G HN 0.361 nan 8.290 nan 0.000 0.478 378 F N 0.600 120.531 119.950 -0.033 0.000 2.518 378 F HA 0.777 5.304 4.527 0.000 0.000 0.323 378 F C 0.610 176.380 175.800 -0.049 0.000 1.129 378 F CA -0.862 57.130 58.000 -0.013 0.000 0.920 378 F CB 2.475 41.504 39.000 0.049 0.000 1.160 378 F HN 0.786 nan 8.300 nan 0.000 0.440 379 G N 1.750 110.634 108.800 0.139 0.000 2.721 379 G HA2 0.683 4.643 3.960 0.000 0.000 0.296 379 G HA3 0.683 4.643 3.960 0.000 0.000 0.296 379 G C -3.368 171.577 174.900 0.074 0.000 1.383 379 G CA -1.912 43.236 45.100 0.079 0.000 0.788 379 G HN 0.212 nan 8.290 nan 0.000 0.500 380 P HA 0.354 nan 4.420 nan 0.000 0.267 380 P C 0.848 178.170 177.300 0.036 0.000 1.200 380 P CA 1.670 64.795 63.100 0.041 0.000 0.772 380 P CB 1.261 32.972 31.700 0.018 0.000 0.855 381 G N 1.063 109.883 108.800 0.034 0.000 3.638 381 G HA2 -0.150 3.811 3.960 0.000 0.000 0.196 381 G HA3 -0.150 3.811 3.960 0.000 0.000 0.196 381 G C 0.074 174.988 174.900 0.023 0.000 1.315 381 G CA -0.447 44.670 45.100 0.028 0.000 0.944 381 G HN 0.438 nan 8.290 nan 0.000 0.434 382 M N 2.283 121.896 119.600 0.021 0.000 2.249 382 M HA 0.411 4.892 4.480 0.000 0.000 0.340 382 M C -0.081 176.244 176.300 0.042 0.000 1.166 382 M CA 0.946 56.267 55.300 0.034 0.000 1.115 382 M CB 0.741 33.355 32.600 0.024 0.000 1.606 382 M HN 0.263 nan 8.290 nan 0.000 0.448 383 T N 2.659 117.250 114.554 0.062 0.000 2.856 383 T HA 0.596 4.946 4.350 0.000 0.000 0.283 383 T C -0.711 174.051 174.700 0.103 0.000 1.008 383 T CA -0.689 61.448 62.100 0.061 0.000 0.997 383 T CB 1.655 70.548 68.868 0.041 0.000 0.992 383 T HN 0.398 nan 8.240 nan 0.000 0.454 384 V N 3.055 123.026 119.914 0.095 0.000 2.448 384 V HA 0.420 4.540 4.120 0.000 0.000 0.295 384 V C -0.152 175.980 176.094 0.064 0.000 1.025 384 V CA -0.876 61.500 62.300 0.126 0.000 0.859 384 V CB 1.818 33.731 31.823 0.149 0.000 0.988 384 V HN 0.807 nan 8.190 nan 0.000 0.431 385 E N 2.383 122.594 120.200 0.018 0.000 2.156 385 E HA 0.479 4.829 4.350 0.000 0.000 0.279 385 E C -0.829 175.807 176.600 0.061 0.000 0.965 385 E CA -0.375 56.031 56.400 0.010 0.000 0.789 385 E CB 2.143 31.818 29.700 -0.041 0.000 1.098 385 E HN 0.618 nan 8.360 nan 0.000 0.397 386 T N 2.132 116.724 114.554 0.064 0.000 2.791 386 T HA 0.348 4.698 4.350 0.000 0.000 0.288 386 T C -0.334 174.305 174.700 -0.102 0.000 0.999 386 T CA -0.498 61.628 62.100 0.043 0.000 0.952 386 T CB 1.081 70.039 68.868 0.150 0.000 0.938 386 T HN 0.091 nan 8.240 nan 0.000 0.444 387 V N 4.061 123.848 119.914 -0.210 0.000 2.495 387 V HA 0.460 4.580 4.120 0.000 0.000 0.298 387 V C -0.038 175.879 176.094 -0.295 0.000 1.031 387 V CA -0.829 61.346 62.300 -0.208 0.000 0.871 387 V CB 2.006 33.717 31.823 -0.186 0.000 0.988 387 V HN 0.666 nan 8.190 nan 0.000 0.432 388 V N 6.488 126.253 119.914 -0.249 0.000 2.407 388 V HA 0.453 4.573 4.120 0.000 0.000 0.278 388 V C -0.067 175.879 176.094 -0.247 0.000 1.037 388 V CA -0.325 61.796 62.300 -0.300 0.000 0.900 388 V CB 1.435 33.120 31.823 -0.230 0.000 0.983 388 V HN 0.603 nan 8.190 nan 0.000 0.459 389 L N 5.211 126.241 121.223 -0.322 0.000 2.334 389 L HA 0.648 4.989 4.340 0.000 0.000 0.276 389 L C 0.061 176.915 176.870 -0.028 0.000 1.014 389 L CA -0.656 54.083 54.840 -0.169 0.000 0.815 389 L CB 1.851 43.751 42.059 -0.265 0.000 1.268 389 L HN 0.553 nan 8.230 nan 0.000 0.428 390 R N 1.487 122.059 120.500 0.120 0.000 2.294 390 R HA 0.390 4.730 4.340 0.000 0.000 0.319 390 R C 0.044 176.563 176.300 0.365 0.000 0.984 390 R CA -0.340 55.868 56.100 0.181 0.000 0.861 390 R CB 1.494 31.847 30.300 0.087 0.000 1.104 390 R HN 0.829 nan 8.270 nan 0.000 0.451 391 S N 2.071 118.016 115.700 0.408 0.000 2.634 391 S HA 0.321 4.792 4.470 0.000 0.000 0.261 391 S C -0.056 174.550 174.600 0.010 0.000 1.271 391 S CA -0.739 57.610 58.200 0.247 0.000 0.985 391 S CB 1.461 64.731 63.200 0.118 0.000 0.968 391 S HN 0.304 nan 8.310 nan 0.000 0.568 392 V N 1.240 121.057 119.914 -0.161 0.000 2.628 392 V HA 0.452 4.572 4.120 0.000 0.000 0.306 392 V C 0.220 176.240 176.094 -0.124 0.000 1.045 392 V CA -0.989 61.232 62.300 -0.131 0.000 0.905 392 V CB 1.769 33.482 31.823 -0.184 0.000 0.997 392 V HN 0.883 nan 8.190 nan 0.000 0.436 393 R N 2.258 122.711 120.500 -0.079 0.000 2.489 393 R HA 0.320 4.660 4.340 0.000 0.000 0.287 393 R C -0.765 175.488 176.300 -0.078 0.000 1.053 393 R CA -0.195 55.864 56.100 -0.067 0.000 1.036 393 R CB 0.789 31.063 30.300 -0.043 0.000 0.966 393 R HN 0.486 nan 8.270 nan 0.000 0.432 394 V N 4.869 124.736 119.914 -0.078 0.000 2.353 394 V HA 0.171 4.291 4.120 0.000 0.000 0.264 394 V C 0.207 176.269 176.094 -0.052 0.000 1.049 394 V CA 0.198 62.453 62.300 -0.075 0.000 0.896 394 V CB 0.696 32.471 31.823 -0.080 0.000 1.025 394 V HN 1.027 nan 8.190 nan 0.000 0.475 395 T N 0.000 114.526 114.554 -0.047 0.000 3.816 395 T HA 0.000 4.350 4.350 0.000 0.000 0.228 395 T CA 0.000 62.079 62.100 -0.035 0.000 1.349 395 T CB 0.000 68.850 68.868 -0.030 0.000 0.612 395 T HN 0.000 nan 8.240 nan 0.000 0.658