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 3hhe_1_B DATA FIRST_RESID 23 DATA SEQUENCE NVQQLKKMAA LKALEFVEDD MRLGIGSGST VNEFIPLLGE RVANGLRVTC DATA SEQUENCE VATSQYSEQL CHKFGVPIST LEKIPELDLD IDGADEIGPE MTLIKGGGGA DATA SEQUENCE LLHEKIVASA SRAMFVIADE TKMVKTLGAF ALPIEVNPFG IHATRIAIEK DATA SEQUENCE AADNLGLSGE ITLRMNGDDP FKTDGGHFIF DAFWGRILQP KLLSEALLAI DATA SEQUENCE PGVVEHGLFL GLASRAIVAM ADSQIKVLEP FDF 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 23 N HA 0.000 nan 4.740 nan 0.000 0.220 23 N C 0.000 175.519 175.510 0.015 0.000 1.280 23 N CA 0.000 53.058 53.050 0.014 0.000 0.885 23 N CB 0.000 38.495 38.487 0.013 0.000 1.341 24 V N -1.634 118.289 119.914 0.016 0.000 2.591 24 V HA 0.001 4.121 4.120 -0.000 0.000 0.249 24 V C 2.109 178.215 176.094 0.019 0.000 1.053 24 V CA 2.456 64.767 62.300 0.017 0.000 1.068 24 V CB -0.667 31.166 31.823 0.018 0.000 0.689 24 V HN 0.624 nan 8.190 nan 0.000 0.462 25 Q N 0.146 119.958 119.800 0.020 0.000 2.096 25 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 25 Q C 2.473 178.486 176.000 0.022 0.000 0.982 25 Q CA 2.526 58.342 55.803 0.022 0.000 0.850 25 Q CB -0.150 28.601 28.738 0.022 0.000 0.901 25 Q HN 0.786 nan 8.270 nan 0.000 0.422 26 Q N -0.043 119.768 119.800 0.019 0.000 2.030 26 Q HA -0.175 4.164 4.340 -0.000 0.000 0.204 26 Q C 2.262 178.274 176.000 0.020 0.000 0.986 26 Q CA 1.414 57.228 55.803 0.017 0.000 0.843 26 Q CB -0.138 28.609 28.738 0.015 0.000 0.904 26 Q HN 0.397 nan 8.270 nan 0.000 0.420 27 L N 0.560 121.795 121.223 0.020 0.000 2.042 27 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 27 L C 2.351 179.238 176.870 0.028 0.000 1.076 27 L CA 1.329 56.182 54.840 0.023 0.000 0.749 27 L CB -0.452 41.618 42.059 0.020 0.000 0.893 27 L HN 0.172 nan 8.230 nan 0.000 0.432 28 K N 0.157 120.574 120.400 0.028 0.000 2.032 28 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 28 K C 2.213 178.843 176.600 0.049 0.000 1.048 28 K CA 1.405 57.713 56.287 0.035 0.000 0.927 28 K CB -0.100 32.419 32.500 0.032 0.000 0.712 28 K HN 0.226 nan 8.250 nan 0.000 0.441 29 K N 0.467 120.891 120.400 0.040 0.000 2.026 29 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 29 K C 2.209 178.837 176.600 0.046 0.000 1.048 29 K CA 1.598 57.909 56.287 0.039 0.000 0.929 29 K CB -0.130 32.382 32.500 0.019 0.000 0.713 29 K HN 0.146 nan 8.250 nan 0.000 0.439 30 M N 0.230 119.853 119.600 0.039 0.000 2.080 30 M HA -0.199 4.280 4.480 -0.000 0.000 0.260 30 M C 2.381 178.717 176.300 0.061 0.000 1.068 30 M CA 1.780 57.105 55.300 0.040 0.000 1.109 30 M CB -0.363 32.256 32.600 0.031 0.000 1.342 30 M HN 0.201 nan 8.290 nan 0.000 0.405 31 A N 0.209 123.067 122.820 0.064 0.000 1.902 31 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 31 A C 2.344 180.005 177.584 0.128 0.000 1.181 31 A CA 2.002 54.087 52.037 0.080 0.000 0.623 31 A CB -0.976 18.057 19.000 0.054 0.000 0.818 31 A HN 0.518 nan 8.150 nan 0.000 0.443 32 A N -0.372 122.536 122.820 0.147 0.000 1.898 32 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 32 A C 2.165 179.906 177.584 0.262 0.000 1.181 32 A CA 1.417 53.617 52.037 0.273 0.000 0.620 32 A CB -0.611 18.542 19.000 0.254 0.000 0.819 32 A HN 0.454 nan 8.150 nan 0.000 0.442 33 L N -0.712 120.588 121.223 0.127 0.000 2.042 33 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 33 L C 2.608 179.532 176.870 0.089 0.000 1.076 33 L CA 1.906 56.788 54.840 0.069 0.000 0.749 33 L CB -0.346 41.728 42.059 0.025 0.000 0.893 33 L HN 0.331 nan 8.230 nan 0.000 0.432 34 K N 0.412 120.877 120.400 0.108 0.000 2.057 34 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 34 K C 1.996 178.719 176.600 0.205 0.000 1.049 34 K CA 1.560 57.912 56.287 0.108 0.000 0.931 34 K CB -0.348 32.222 32.500 0.118 0.000 0.714 34 K HN 0.235 nan 8.250 nan 0.000 0.440 35 A N 0.360 123.375 122.820 0.325 0.000 1.969 35 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 35 A C 2.025 179.922 177.584 0.521 0.000 1.169 35 A CA 1.293 53.639 52.037 0.514 0.000 0.635 35 A CB -0.632 18.581 19.000 0.356 0.000 0.810 35 A HN 0.340 nan 8.150 nan 0.000 0.445 36 L N 0.496 121.976 121.223 0.428 0.000 2.187 36 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 36 L C 2.063 179.001 176.870 0.113 0.000 1.100 36 L CA 2.099 57.106 54.840 0.279 0.000 0.765 36 L CB -0.563 41.516 42.059 0.034 0.000 0.904 36 L HN 0.522 nan 8.230 nan 0.000 0.437 37 E N -1.448 118.748 120.200 -0.007 0.000 2.268 37 E HA -0.199 4.150 4.350 -0.000 0.000 0.195 37 E C 1.703 178.151 176.600 -0.254 0.000 0.995 37 E CA 0.997 57.281 56.400 -0.193 0.000 0.836 37 E CB -0.173 29.313 29.700 -0.356 0.000 0.763 37 E HN 0.526 nan 8.360 nan 0.000 0.491 38 F N 0.410 120.442 119.950 0.138 0.000 2.780 38 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 38 F C 0.806 176.632 175.800 0.043 0.000 1.146 38 F CA 0.031 58.103 58.000 0.120 0.000 1.428 38 F CB 0.264 39.402 39.000 0.231 0.000 1.115 38 F HN -0.258 nan 8.300 nan 0.000 0.583 39 V N 1.863 121.888 119.914 0.184 0.000 2.427 39 V HA 0.111 4.230 4.120 -0.000 0.000 0.268 39 V C 0.068 176.198 176.094 0.061 0.000 1.046 39 V CA -0.604 61.764 62.300 0.114 0.000 0.970 39 V CB 0.407 32.312 31.823 0.136 0.000 1.001 39 V HN 0.161 nan 8.190 nan 0.000 0.476 40 E N 2.618 122.847 120.200 0.047 0.000 2.221 40 E HA 0.315 4.665 4.350 -0.000 0.000 0.268 40 E C -0.896 175.716 176.600 0.019 0.000 0.933 40 E CA -1.024 55.394 56.400 0.029 0.000 0.809 40 E CB 1.425 31.146 29.700 0.034 0.000 1.190 40 E HN 0.554 nan 8.360 nan 0.000 0.406 41 D N 2.214 122.622 120.400 0.012 0.000 2.648 41 D HA -0.108 4.532 4.640 -0.000 0.000 0.229 41 D C -0.076 176.229 176.300 0.009 0.000 1.119 41 D CA 1.296 55.301 54.000 0.008 0.000 0.850 41 D CB 0.190 40.993 40.800 0.006 0.000 1.169 41 D HN 0.485 nan 8.370 nan 0.000 0.489 42 D N 0.820 121.224 120.400 0.007 0.000 3.090 42 D HA -0.213 4.427 4.640 -0.000 0.000 0.215 42 D C 0.352 176.655 176.300 0.005 0.000 1.140 42 D CA 0.519 54.522 54.000 0.006 0.000 0.937 42 D CB -1.068 39.735 40.800 0.005 0.000 1.108 42 D HN 0.478 nan 8.370 nan 0.000 0.420 43 M N 0.309 119.912 119.600 0.006 0.000 2.243 43 M HA 0.134 4.614 4.480 -0.000 0.000 0.341 43 M C 0.869 177.168 176.300 -0.001 0.000 1.130 43 M CA 0.539 55.839 55.300 -0.000 0.000 1.162 43 M CB 0.749 33.349 32.600 -0.001 0.000 1.497 43 M HN -0.205 nan 8.290 nan 0.000 0.456 44 R N 3.161 123.656 120.500 -0.009 0.000 2.198 44 R HA 0.542 4.882 4.340 -0.000 0.000 0.339 44 R C -1.178 175.113 176.300 -0.015 0.000 1.020 44 R CA -0.358 55.737 56.100 -0.008 0.000 0.864 44 R CB 0.557 30.851 30.300 -0.010 0.000 1.105 44 R HN 0.603 nan 8.270 nan 0.000 0.463 45 L N 1.852 123.073 121.223 -0.003 0.000 2.317 45 L HA 0.493 4.833 4.340 -0.000 0.000 0.281 45 L C 0.808 177.677 176.870 -0.002 0.000 1.024 45 L CA -0.863 53.975 54.840 -0.003 0.000 0.810 45 L CB 1.959 44.040 42.059 0.038 0.000 1.240 45 L HN 0.684 nan 8.230 nan 0.000 0.427 46 G N 3.699 112.487 108.800 -0.020 0.000 2.372 46 G HA2 0.537 4.497 3.960 -0.000 0.000 0.283 46 G HA3 0.537 4.497 3.960 -0.000 0.000 0.283 46 G C -0.525 174.371 174.900 -0.007 0.000 1.177 46 G CA -0.350 44.744 45.100 -0.010 0.000 0.842 46 G HN 0.297 nan 8.290 nan 0.000 0.503 47 I N 2.610 123.190 120.570 0.018 0.000 2.411 47 I HA 0.308 4.478 4.170 -0.000 0.000 0.284 47 I C 1.137 177.272 176.117 0.030 0.000 1.012 47 I CA -0.632 60.686 61.300 0.030 0.000 1.119 47 I CB 0.756 38.799 38.000 0.072 0.000 1.261 47 I HN 0.578 nan 8.210 nan 0.000 0.448 48 G N 4.926 113.725 108.800 -0.002 0.000 2.486 48 G HA2 0.501 4.461 3.960 -0.000 0.000 0.272 48 G HA3 0.501 4.461 3.960 -0.000 0.000 0.272 48 G C -0.248 174.676 174.900 0.041 0.000 1.426 48 G CA -0.103 45.004 45.100 0.012 0.000 1.058 48 G HN 0.559 nan 8.290 nan 0.000 0.531 49 S N -2.444 113.277 115.700 0.034 0.000 2.661 49 S HA 0.873 5.343 4.470 -0.000 0.000 0.285 49 S C 0.037 174.658 174.600 0.033 0.000 1.138 49 S CA 0.162 58.401 58.200 0.065 0.000 0.855 49 S CB 1.734 64.984 63.200 0.083 0.000 1.136 49 S HN 2.145 nan 8.310 nan 0.000 0.484 50 G N 0.838 109.673 108.800 0.059 0.000 2.497 50 G HA2 0.021 3.981 3.960 -0.000 0.000 0.686 50 G HA3 0.021 3.981 3.960 -0.000 0.000 0.686 50 G C 0.511 175.443 174.900 0.052 0.000 1.288 50 G CA 0.049 45.163 45.100 0.024 0.000 0.899 50 G HN 1.253 nan 8.290 nan 0.000 0.608 51 S N -1.234 114.484 115.700 0.030 0.000 2.382 51 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 51 S C 2.254 176.887 174.600 0.055 0.000 1.027 51 S CA 2.596 60.824 58.200 0.048 0.000 0.991 51 S CB -0.606 62.609 63.200 0.025 0.000 0.823 51 S HN 1.241 nan 8.310 nan 0.000 0.469 52 T N 2.506 117.078 114.554 0.031 0.000 2.708 52 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 52 T C 1.918 176.659 174.700 0.069 0.000 1.037 52 T CA 1.436 63.557 62.100 0.035 0.000 1.146 52 T CB -0.730 68.139 68.868 0.002 0.000 0.865 52 T HN 0.285 nan 8.240 nan 0.000 0.435 53 V N 2.806 122.753 119.914 0.055 0.000 2.490 53 V HA -0.177 3.942 4.120 -0.000 0.000 0.250 53 V C 2.296 178.488 176.094 0.163 0.000 1.061 53 V CA 1.417 63.775 62.300 0.096 0.000 1.064 53 V CB -0.760 31.090 31.823 0.044 0.000 0.670 53 V HN 0.459 nan 8.190 nan 0.000 0.461 54 N N 0.104 118.890 118.700 0.143 0.000 2.289 54 N HA -0.141 4.598 4.740 -0.000 0.000 0.184 54 N C 1.741 177.306 175.510 0.092 0.000 1.016 54 N CA 0.953 54.095 53.050 0.154 0.000 0.872 54 N CB -0.234 38.384 38.487 0.219 0.000 0.973 54 N HN 0.488 nan 8.380 nan 0.000 0.433 55 E N -0.190 120.063 120.200 0.089 0.000 2.216 55 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 55 E C 1.565 178.190 176.600 0.042 0.000 0.988 55 E CA 0.211 56.639 56.400 0.046 0.000 0.834 55 E CB -0.287 29.449 29.700 0.060 0.000 0.772 55 E HN 0.410 nan 8.360 nan 0.000 0.479 56 F N 0.959 120.882 119.950 -0.045 0.000 2.187 56 F HA 0.002 4.529 4.527 -0.000 0.000 0.295 56 F C 2.050 177.799 175.800 -0.084 0.000 1.091 56 F CA 0.676 58.649 58.000 -0.045 0.000 1.308 56 F CB -0.042 38.953 39.000 -0.008 0.000 1.030 56 F HN -0.136 nan 8.300 nan 0.000 0.487 57 I N 1.101 121.676 120.570 0.009 0.000 2.179 57 I HA -0.211 3.958 4.170 -0.000 0.000 0.242 57 I C -0.696 175.202 176.117 -0.365 0.000 1.088 57 I CA 1.228 62.463 61.300 -0.108 0.000 1.357 57 I CB -1.768 36.260 38.000 0.047 0.000 1.051 57 I HN 0.107 nan 8.210 nan 0.000 0.409 58 P HA -0.142 nan 4.420 nan 0.000 0.217 58 P C 1.938 178.894 177.300 -0.573 0.000 1.150 58 P CA 1.450 63.891 63.100 -1.098 0.000 0.832 58 P CB -0.028 30.958 31.700 -1.190 0.000 0.787 59 L N -1.524 119.434 121.223 -0.442 0.000 2.046 59 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 59 L C 2.427 179.075 176.870 -0.371 0.000 1.077 59 L CA 0.993 55.623 54.840 -0.351 0.000 0.747 59 L CB -1.061 40.807 42.059 -0.318 0.000 0.896 59 L HN -0.008 nan 8.230 nan 0.000 0.432 60 L N 0.300 121.209 121.223 -0.522 0.000 2.046 60 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 60 L C 2.372 179.112 176.870 -0.217 0.000 1.077 60 L CA 2.146 56.726 54.840 -0.433 0.000 0.747 60 L CB -1.140 40.598 42.059 -0.535 0.000 0.896 60 L HN 0.133 nan 8.230 nan 0.000 0.432 61 G N -1.064 107.627 108.800 -0.181 0.000 2.476 61 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.218 61 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.218 61 G C 1.450 176.326 174.900 -0.040 0.000 1.164 61 G CA 0.947 46.022 45.100 -0.042 0.000 0.768 61 G HN 0.545 nan 8.290 nan 0.000 0.560 62 E N -0.184 119.957 120.200 -0.097 0.000 2.110 62 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 62 E C 2.721 179.284 176.600 -0.061 0.000 0.988 62 E CA 0.500 56.861 56.400 -0.065 0.000 0.804 62 E CB -0.075 29.571 29.700 -0.090 0.000 0.745 62 E HN 0.323 nan 8.360 nan 0.000 0.458 63 R N 0.158 120.604 120.500 -0.090 0.000 2.090 63 R HA -0.074 4.266 4.340 -0.000 0.000 0.228 63 R C 2.344 178.617 176.300 -0.045 0.000 1.110 63 R CA 0.839 56.896 56.100 -0.071 0.000 0.973 63 R CB -0.121 30.123 30.300 -0.092 0.000 0.869 63 R HN 0.076 nan 8.270 nan 0.000 0.440 64 V N 0.993 120.882 119.914 -0.041 0.000 2.343 64 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 64 V C 2.466 178.557 176.094 -0.005 0.000 1.051 64 V CA 1.939 64.229 62.300 -0.017 0.000 1.036 64 V CB -0.728 31.092 31.823 -0.005 0.000 0.654 64 V HN 0.387 nan 8.190 nan 0.000 0.451 65 A N 0.346 123.166 122.820 -0.001 0.000 1.948 65 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 65 A C 1.885 179.468 177.584 -0.002 0.000 1.177 65 A CA 2.408 54.448 52.037 0.006 0.000 0.636 65 A CB -0.763 18.245 19.000 0.012 0.000 0.815 65 A HN 0.593 nan 8.150 nan 0.000 0.449 66 N N -1.262 117.432 118.700 -0.010 0.000 2.521 66 N HA 0.249 4.989 4.740 -0.000 0.000 0.188 66 N C 1.002 176.506 175.510 -0.010 0.000 1.146 66 N CA 1.229 54.272 53.050 -0.012 0.000 0.893 66 N CB 0.360 38.836 38.487 -0.019 0.000 0.975 66 N HN 0.679 nan 8.380 nan 0.000 0.451 67 G N -0.517 108.279 108.800 -0.008 0.000 2.184 67 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.206 67 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.206 67 G C -0.048 174.848 174.900 -0.006 0.000 0.995 67 G CA -0.069 45.028 45.100 -0.005 0.000 0.651 67 G HN 0.322 nan 8.290 nan 0.000 0.511 68 L N 1.314 122.531 121.223 -0.011 0.000 2.490 68 L HA 0.660 5.000 4.340 -0.000 0.000 0.274 68 L C 0.649 177.516 176.870 -0.005 0.000 1.201 68 L CA 0.120 54.954 54.840 -0.010 0.000 0.869 68 L CB 0.407 42.454 42.059 -0.020 0.000 1.123 68 L HN 0.243 nan 8.230 nan 0.000 0.484 69 R N 4.216 124.716 120.500 -0.000 0.000 2.310 69 R HA 0.679 5.019 4.340 -0.000 0.000 0.324 69 R C -1.342 174.962 176.300 0.007 0.000 0.955 69 R CA -0.426 55.676 56.100 0.004 0.000 0.830 69 R CB 1.164 31.466 30.300 0.004 0.000 1.154 69 R HN 0.666 nan 8.270 nan 0.000 0.458 70 V N -0.500 119.420 119.914 0.009 0.000 3.078 70 V HA 0.720 4.839 4.120 -0.000 0.000 0.311 70 V C -0.701 175.402 176.094 0.016 0.000 1.138 70 V CA -0.766 61.542 62.300 0.014 0.000 1.007 70 V CB 2.423 34.259 31.823 0.021 0.000 1.045 70 V HN 0.620 nan 8.190 nan 0.000 0.432 71 T N 1.325 115.889 114.554 0.015 0.000 2.848 71 T HA 0.638 4.988 4.350 -0.000 0.000 0.285 71 T C -0.624 174.085 174.700 0.016 0.000 0.995 71 T CA -0.303 61.806 62.100 0.015 0.000 0.970 71 T CB 1.161 70.036 68.868 0.011 0.000 0.976 71 T HN 0.997 nan 8.240 nan 0.000 0.441 72 C N 2.617 121.927 119.300 0.017 0.000 2.417 72 C HA 0.726 5.186 4.460 -0.000 0.000 0.324 72 C C 0.201 175.196 174.990 0.009 0.000 1.240 72 C CA -0.798 58.231 59.018 0.019 0.000 1.632 72 C CB 1.083 28.841 27.740 0.030 0.000 2.241 72 C HN 0.747 nan 8.230 nan 0.000 0.499 73 V N 3.177 123.096 119.914 0.008 0.000 2.370 73 V HA 0.636 4.756 4.120 -0.000 0.000 0.279 73 V C 0.612 176.717 176.094 0.017 0.000 1.029 73 V CA -0.121 62.182 62.300 0.006 0.000 0.870 73 V CB 1.061 32.882 31.823 -0.004 0.000 0.984 73 V HN 1.069 nan 8.190 nan 0.000 0.451 74 A N 3.469 126.301 122.820 0.019 0.000 2.286 74 A HA 0.651 4.971 4.320 -0.000 0.000 0.286 74 A C 0.996 178.630 177.584 0.083 0.000 1.097 74 A CA 0.227 52.288 52.037 0.039 0.000 0.821 74 A CB 0.795 19.802 19.000 0.013 0.000 1.076 74 A HN 0.992 nan 8.150 nan 0.000 0.490 75 T N -2.182 112.436 114.554 0.108 0.000 3.044 75 T HA 0.426 4.776 4.350 -0.000 0.000 0.260 75 T C 0.344 175.151 174.700 0.177 0.000 1.019 75 T CA 0.525 62.726 62.100 0.168 0.000 0.921 75 T CB -0.726 68.225 68.868 0.140 0.000 1.053 75 T HN 1.511 nan 8.240 nan 0.000 0.533 76 S N -0.433 115.350 115.700 0.140 0.000 2.615 76 S HA 0.405 4.874 4.470 -0.000 0.000 0.269 76 S C 0.251 174.924 174.600 0.120 0.000 1.161 76 S CA -0.947 57.323 58.200 0.117 0.000 0.817 76 S CB 1.638 64.917 63.200 0.132 0.000 1.131 76 S HN 0.040 nan 8.310 nan 0.000 0.467 77 Q N -0.489 119.387 119.800 0.127 0.000 2.083 77 Q HA -0.021 4.319 4.340 -0.000 0.000 0.198 77 Q C 1.431 177.516 176.000 0.142 0.000 0.969 77 Q CA 1.410 57.287 55.803 0.124 0.000 0.838 77 Q CB -0.361 28.450 28.738 0.122 0.000 0.900 77 Q HN 0.750 nan 8.270 nan 0.000 0.436 78 Y N 1.297 121.634 120.300 0.063 0.000 2.165 78 Y HA -0.255 4.294 4.550 -0.000 0.000 0.286 78 Y C 2.391 178.329 175.900 0.063 0.000 1.155 78 Y CA 1.689 59.827 58.100 0.063 0.000 1.164 78 Y CB -0.086 38.410 38.460 0.061 0.000 0.978 78 Y HN -0.005 nan 8.280 nan 0.000 0.513 79 S N -0.331 115.427 115.700 0.095 0.000 2.382 79 S HA -0.213 4.257 4.470 -0.000 0.000 0.228 79 S C 1.918 176.491 174.600 -0.045 0.000 1.027 79 S CA 1.375 59.593 58.200 0.030 0.000 0.991 79 S CB -0.310 62.939 63.200 0.082 0.000 0.823 79 S HN 0.577 nan 8.310 nan 0.000 0.469 80 E N 1.042 121.214 120.200 -0.047 0.000 2.072 80 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 80 E C 2.263 178.737 176.600 -0.210 0.000 0.985 80 E CA 0.766 57.077 56.400 -0.148 0.000 0.801 80 E CB -0.085 29.572 29.700 -0.072 0.000 0.750 80 E HN 0.520 nan 8.360 nan 0.000 0.452 81 Q N 0.348 120.087 119.800 -0.102 0.000 2.030 81 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 81 Q C 2.362 178.278 176.000 -0.140 0.000 0.986 81 Q CA 1.417 57.173 55.803 -0.077 0.000 0.843 81 Q CB -0.050 28.611 28.738 -0.128 0.000 0.904 81 Q HN 0.355 nan 8.270 nan 0.000 0.420 82 L N -0.211 120.880 121.223 -0.219 0.000 2.046 82 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 82 L C 2.729 179.643 176.870 0.074 0.000 1.077 82 L CA 0.875 55.676 54.840 -0.064 0.000 0.747 82 L CB -0.583 41.455 42.059 -0.035 0.000 0.896 82 L HN 0.464 nan 8.230 nan 0.000 0.432 83 C N -0.692 118.591 119.300 -0.029 0.000 2.388 83 C HA -0.214 4.246 4.460 -0.000 0.000 0.277 83 C C 2.785 177.754 174.990 -0.035 0.000 1.210 83 C CA 0.636 59.627 59.018 -0.043 0.000 1.743 83 C CB -1.209 26.438 27.740 -0.156 0.000 2.047 83 C HN 0.520 nan 8.230 nan 0.000 0.458 84 H N 0.665 119.731 119.070 -0.007 0.000 2.319 84 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 84 H C 2.222 177.495 175.328 -0.092 0.000 1.092 84 H CA 1.862 57.887 56.048 -0.038 0.000 1.302 84 H CB -0.705 29.030 29.762 -0.046 0.000 1.373 84 H HN 0.560 nan 8.280 nan 0.000 0.497 85 K N 0.218 120.583 120.400 -0.058 0.000 2.211 85 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 85 K C 0.763 177.050 176.600 -0.522 0.000 1.047 85 K CA 1.153 57.240 56.287 -0.333 0.000 0.935 85 K CB -0.012 32.176 32.500 -0.519 0.000 0.728 85 K HN 0.151 nan 8.250 nan 0.000 0.452 86 F N -0.476 119.466 119.950 -0.013 0.000 2.654 86 F HA 0.286 4.813 4.527 -0.000 0.000 0.303 86 F C 0.967 176.756 175.800 -0.018 0.000 1.099 86 F CA 0.096 58.082 58.000 -0.023 0.000 1.270 86 F CB 1.414 40.388 39.000 -0.043 0.000 1.024 86 F HN 0.161 nan 8.300 nan 0.000 0.548 87 G N 1.286 110.151 108.800 0.108 0.000 2.198 87 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 87 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 87 G C -0.217 174.727 174.900 0.072 0.000 1.042 87 G CA -0.002 45.146 45.100 0.079 0.000 0.791 87 G HN 0.136 nan 8.290 nan 0.000 0.502 88 V N 1.425 121.383 119.914 0.073 0.000 2.408 88 V HA 0.378 4.498 4.120 -0.000 0.000 0.267 88 V C -1.267 174.846 176.094 0.032 0.000 1.047 88 V CA -1.450 60.874 62.300 0.041 0.000 0.937 88 V CB 1.336 33.180 31.823 0.033 0.000 0.999 88 V HN 0.188 nan 8.190 nan 0.000 0.472 89 P HA 0.291 nan 4.420 nan 0.000 0.271 89 P C -0.780 176.534 177.300 0.023 0.000 1.218 89 P CA -0.150 62.974 63.100 0.039 0.000 0.780 89 P CB 0.587 32.307 31.700 0.032 0.000 0.901 90 I N 1.453 122.045 120.570 0.037 0.000 2.466 90 I HA 0.406 4.576 4.170 -0.000 0.000 0.289 90 I C 0.328 176.467 176.117 0.037 0.000 1.026 90 I CA -0.056 61.256 61.300 0.020 0.000 1.078 90 I CB 1.485 39.486 38.000 0.001 0.000 1.249 90 I HN 0.331 nan 8.210 nan 0.000 0.429 91 S N 3.871 119.584 115.700 0.021 0.000 2.911 91 S HA 0.831 5.300 4.470 -0.000 0.000 0.319 91 S C -0.553 174.053 174.600 0.010 0.000 1.154 91 S CA -0.190 58.021 58.200 0.019 0.000 0.857 91 S CB 1.886 65.094 63.200 0.012 0.000 1.279 91 S HN 0.726 nan 8.310 nan 0.000 0.593 92 T N -0.306 114.250 114.554 0.002 0.000 2.916 92 T HA 0.528 4.878 4.350 -0.000 0.000 0.292 92 T C 1.094 175.783 174.700 -0.018 0.000 1.055 92 T CA -0.776 61.318 62.100 -0.009 0.000 1.009 92 T CB 0.825 69.687 68.868 -0.010 0.000 1.118 92 T HN 0.425 nan 8.240 nan 0.000 0.497 93 L N 0.380 121.584 121.223 -0.031 0.000 2.261 93 L HA -0.061 4.279 4.340 -0.000 0.000 0.216 93 L C 2.761 179.613 176.870 -0.030 0.000 1.114 93 L CA 1.478 56.297 54.840 -0.035 0.000 0.777 93 L CB -0.435 41.593 42.059 -0.052 0.000 0.910 93 L HN 0.821 nan 8.230 nan 0.000 0.440 94 E N 0.858 121.041 120.200 -0.028 0.000 2.051 94 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 94 E C 2.083 178.673 176.600 -0.016 0.000 0.991 94 E CA 1.628 58.015 56.400 -0.022 0.000 0.799 94 E CB 0.085 29.773 29.700 -0.020 0.000 0.748 94 E HN 0.281 nan 8.360 nan 0.000 0.449 95 K N -0.273 120.120 120.400 -0.012 0.000 2.062 95 K HA 0.050 4.369 4.320 -0.000 0.000 0.205 95 K C 0.563 177.157 176.600 -0.009 0.000 1.051 95 K CA 1.390 57.672 56.287 -0.008 0.000 0.941 95 K CB -0.083 32.415 32.500 -0.003 0.000 0.719 95 K HN 0.304 nan 8.250 nan 0.000 0.440 96 I N -1.342 119.221 120.570 -0.011 0.000 2.595 96 I HA 0.259 4.429 4.170 -0.000 0.000 0.275 96 I C -2.379 173.727 176.117 -0.017 0.000 1.092 96 I CA -2.192 59.100 61.300 -0.012 0.000 1.145 96 I CB 1.605 39.599 38.000 -0.009 0.000 1.276 96 I HN -0.186 nan 8.210 nan 0.000 0.497 97 P HA -0.013 nan 4.420 nan 0.000 0.225 97 P C 0.481 177.767 177.300 -0.023 0.000 1.156 97 P CA 1.307 64.394 63.100 -0.023 0.000 0.787 97 P CB 0.300 31.988 31.700 -0.021 0.000 0.802 98 E N 0.573 120.761 120.200 -0.020 0.000 2.218 98 E HA 0.590 4.939 4.350 -0.000 0.000 0.263 98 E C -0.790 175.798 176.600 -0.021 0.000 0.879 98 E CA -0.766 55.621 56.400 -0.020 0.000 0.762 98 E CB 0.809 30.498 29.700 -0.018 0.000 1.166 98 E HN 0.051 nan 8.360 nan 0.000 0.415 99 L N 1.430 122.638 121.223 -0.025 0.000 2.352 99 L HA 0.463 4.803 4.340 -0.000 0.000 0.269 99 L C 0.600 177.448 176.870 -0.036 0.000 1.034 99 L CA -1.084 53.739 54.840 -0.028 0.000 0.806 99 L CB 1.705 43.746 42.059 -0.029 0.000 1.244 99 L HN 0.665 nan 8.230 nan 0.000 0.447 100 D N 0.710 121.084 120.400 -0.043 0.000 2.137 100 D HA 0.071 4.711 4.640 -0.000 0.000 0.202 100 D C -0.030 176.210 176.300 -0.101 0.000 0.970 100 D CA 1.475 55.441 54.000 -0.057 0.000 0.837 100 D CB 0.552 41.323 40.800 -0.049 0.000 0.981 100 D HN 0.098 nan 8.370 nan 0.000 0.475 101 L N 0.584 121.733 121.223 -0.122 0.000 2.493 101 L HA 0.310 4.650 4.340 -0.000 0.000 0.265 101 L C -1.899 174.874 176.870 -0.162 0.000 0.954 101 L CA -0.678 54.033 54.840 -0.215 0.000 0.844 101 L CB 2.530 44.394 42.059 -0.326 0.000 1.302 101 L HN -0.327 nan 8.230 nan 0.000 0.405 102 D N 4.619 124.927 120.400 -0.153 0.000 2.217 102 D HA 0.514 5.153 4.640 -0.000 0.000 0.243 102 D C -1.108 175.115 176.300 -0.129 0.000 1.054 102 D CA -0.191 53.751 54.000 -0.097 0.000 0.838 102 D CB 1.228 42.007 40.800 -0.034 0.000 1.162 102 D HN 0.423 nan 8.370 nan 0.000 0.472 103 I N 3.293 123.762 120.570 -0.168 0.000 2.382 103 I HA 0.378 4.548 4.170 -0.000 0.000 0.286 103 I C -0.426 175.556 176.117 -0.226 0.000 1.002 103 I CA -0.601 60.536 61.300 -0.271 0.000 1.135 103 I CB 1.462 39.078 38.000 -0.639 0.000 1.288 103 I HN 0.349 nan 8.210 nan 0.000 0.448 104 D N 3.297 123.601 120.400 -0.161 0.000 2.583 104 D HA 0.623 5.263 4.640 -0.000 0.000 0.248 104 D C -0.143 176.076 176.300 -0.134 0.000 1.209 104 D CA -0.078 53.847 54.000 -0.124 0.000 0.848 104 D CB 2.946 43.697 40.800 -0.083 0.000 1.431 104 D HN 0.607 nan 8.370 nan 0.000 0.436 105 G N -0.568 108.155 108.800 -0.129 0.000 2.532 105 G HA2 0.725 4.685 3.960 -0.000 0.000 0.291 105 G HA3 0.725 4.685 3.960 -0.000 0.000 0.291 105 G C -1.139 173.636 174.900 -0.209 0.000 1.349 105 G CA -0.106 44.909 45.100 -0.140 0.000 1.038 105 G HN 0.574 nan 8.290 nan 0.000 0.518 106 A N -1.252 121.431 122.820 -0.228 0.000 2.566 106 A HA 0.569 4.889 4.320 -0.000 0.000 0.297 106 A C 0.075 177.457 177.584 -0.336 0.000 1.059 106 A CA -0.410 51.440 52.037 -0.311 0.000 0.691 106 A CB 1.305 20.128 19.000 -0.296 0.000 1.282 106 A HN 0.394 nan 8.150 nan 0.000 0.401 107 D N 0.693 120.801 120.400 -0.486 0.000 2.149 107 D HA 0.034 4.674 4.640 -0.000 0.000 0.201 107 D C 0.176 176.152 176.300 -0.540 0.000 0.972 107 D CA 1.499 55.044 54.000 -0.758 0.000 0.835 107 D CB 0.492 40.368 40.800 -1.539 0.000 0.966 107 D HN 0.706 nan 8.370 nan 0.000 0.476 108 E N -0.392 119.578 120.200 -0.384 0.000 2.356 108 E HA 0.513 4.863 4.350 -0.000 0.000 0.275 108 E C -0.840 175.643 176.600 -0.195 0.000 0.904 108 E CA -0.513 55.760 56.400 -0.212 0.000 0.757 108 E CB 2.886 32.511 29.700 -0.126 0.000 1.232 108 E HN -0.113 nan 8.360 nan 0.000 0.442 109 I N 1.945 122.424 120.570 -0.152 0.000 2.411 109 I HA 0.467 4.637 4.170 -0.000 0.000 0.284 109 I C 0.375 176.402 176.117 -0.151 0.000 1.012 109 I CA -0.430 60.732 61.300 -0.230 0.000 1.119 109 I CB 1.684 39.508 38.000 -0.293 0.000 1.261 109 I HN 0.532 nan 8.210 nan 0.000 0.448 110 G N 5.803 114.505 108.800 -0.164 0.000 3.119 110 G HA2 0.641 4.600 3.960 -0.000 0.000 0.206 110 G HA3 0.641 4.600 3.960 -0.000 0.000 0.206 110 G C -2.962 171.946 174.900 0.012 0.000 1.313 110 G CA -1.686 43.407 45.100 -0.010 0.000 1.010 110 G HN 0.230 nan 8.290 nan 0.000 0.578 111 P HA 0.313 nan 4.420 nan 0.000 0.265 111 P C 0.415 177.754 177.300 0.065 0.000 1.187 111 P CA 1.593 64.773 63.100 0.135 0.000 0.766 111 P CB 0.222 31.978 31.700 0.092 0.000 0.820 112 E N 2.441 122.712 120.200 0.117 0.000 2.735 112 E HA -0.332 4.018 4.350 -0.000 0.000 0.261 112 E C 0.740 177.295 176.600 -0.075 0.000 1.137 112 E CA 1.277 57.711 56.400 0.055 0.000 0.754 112 E CB -2.705 27.018 29.700 0.038 0.000 1.352 112 E HN 0.739 nan 8.360 nan 0.000 0.430 113 M N -1.084 118.349 119.600 -0.279 0.000 2.393 113 M HA -0.164 4.316 4.480 -0.000 0.000 0.201 113 M C 0.034 176.176 176.300 -0.263 0.000 0.403 113 M CA 1.328 56.309 55.300 -0.531 0.000 0.471 113 M CB -1.472 30.838 32.600 -0.483 0.000 1.669 113 M HN 0.645 nan 8.290 nan 0.000 0.864 114 T N 1.917 116.374 114.554 -0.162 0.000 2.901 114 T HA 0.468 4.818 4.350 -0.000 0.000 0.301 114 T C 0.276 174.914 174.700 -0.104 0.000 1.012 114 T CA -0.138 61.921 62.100 -0.069 0.000 1.135 114 T CB 0.622 69.482 68.868 -0.012 0.000 0.936 114 T HN 0.375 nan 8.240 nan 0.000 0.539 115 L N 3.280 124.472 121.223 -0.052 0.000 2.334 115 L HA 0.639 4.978 4.340 -0.000 0.000 0.270 115 L C -0.138 176.682 176.870 -0.083 0.000 1.018 115 L CA -1.110 53.648 54.840 -0.137 0.000 0.811 115 L CB 1.290 43.189 42.059 -0.267 0.000 1.271 115 L HN 0.479 nan 8.230 nan 0.000 0.443 116 I N 1.630 122.102 120.570 -0.163 0.000 2.378 116 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 116 I C -0.292 175.632 176.117 -0.321 0.000 0.992 116 I CA -0.372 60.843 61.300 -0.140 0.000 1.154 116 I CB 1.650 39.601 38.000 -0.081 0.000 1.315 116 I HN 0.561 nan 8.210 nan 0.000 0.448 117 K N 3.081 123.296 120.400 -0.308 0.000 2.480 117 K HA 0.718 5.037 4.320 -0.000 0.000 0.258 117 K C 0.164 176.686 176.600 -0.130 0.000 0.990 117 K CA -0.641 55.413 56.287 -0.389 0.000 0.857 117 K CB 2.233 34.248 32.500 -0.809 0.000 1.384 117 K HN 0.771 nan 8.250 nan 0.000 0.446 118 G N -0.131 108.614 108.800 -0.091 0.000 2.159 118 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.170 118 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.170 118 G C 0.756 175.693 174.900 0.062 0.000 1.007 118 G CA 0.103 45.224 45.100 0.036 0.000 0.672 118 G HN 0.784 nan 8.290 nan 0.000 0.507 119 G N 0.655 109.488 108.800 0.055 0.000 2.442 119 G HA2 0.198 4.158 3.960 -0.000 0.000 0.219 119 G HA3 0.198 4.158 3.960 -0.000 0.000 0.219 119 G C 1.610 176.537 174.900 0.044 0.000 1.141 119 G CA 1.584 46.799 45.100 0.191 0.000 0.763 119 G HN 1.450 nan 8.290 nan 0.000 0.554 120 G N -0.793 108.003 108.800 -0.007 0.000 2.985 120 G HA2 0.379 4.339 3.960 -0.000 0.000 0.209 120 G HA3 0.379 4.339 3.960 -0.000 0.000 0.209 120 G C 1.203 176.053 174.900 -0.083 0.000 1.165 120 G CA 0.542 45.606 45.100 -0.059 0.000 0.776 120 G HN 1.427 nan 8.290 nan 0.000 0.541 121 G N -1.287 107.503 108.800 -0.017 0.000 2.175 121 G HA2 0.031 3.991 3.960 -0.000 0.000 0.244 121 G HA3 0.031 3.991 3.960 -0.000 0.000 0.244 121 G C 0.865 175.898 174.900 0.223 0.000 0.982 121 G CA 0.447 45.622 45.100 0.126 0.000 0.641 121 G HN 1.264 nan 8.290 nan 0.000 0.527 122 A N 0.254 123.151 122.820 0.129 0.000 2.460 122 A HA 0.646 4.966 4.320 -0.000 0.000 0.258 122 A C 2.082 179.747 177.584 0.134 0.000 1.300 122 A CA 0.970 53.070 52.037 0.106 0.000 0.913 122 A CB -0.290 18.764 19.000 0.090 0.000 1.031 122 A HN 1.437 nan 8.150 nan 0.000 0.512 123 L N -2.263 119.057 121.223 0.162 0.000 2.043 123 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 123 L C 2.006 179.021 176.870 0.241 0.000 1.075 123 L CA 2.005 56.988 54.840 0.237 0.000 0.752 123 L CB -0.897 41.309 42.059 0.244 0.000 0.891 123 L HN 0.253 nan 8.230 nan 0.000 0.432 124 L N -0.224 121.109 121.223 0.182 0.000 1.988 124 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 124 L C 2.692 179.705 176.870 0.239 0.000 1.071 124 L CA 1.952 56.898 54.840 0.177 0.000 0.744 124 L CB -1.066 41.120 42.059 0.212 0.000 0.893 124 L HN 0.406 nan 8.230 nan 0.000 0.433 125 H N -0.822 118.292 119.070 0.073 0.000 2.387 125 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 125 H C 2.005 177.377 175.328 0.074 0.000 1.099 125 H CA 1.317 57.400 56.048 0.058 0.000 1.315 125 H CB 0.195 29.992 29.762 0.058 0.000 1.380 125 H HN 0.532 nan 8.280 nan 0.000 0.513 126 E N 0.801 121.155 120.200 0.256 0.000 2.110 126 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 126 E C 2.175 178.927 176.600 0.254 0.000 0.988 126 E CA 0.866 57.417 56.400 0.251 0.000 0.804 126 E CB 0.107 29.979 29.700 0.288 0.000 0.745 126 E HN 0.324 nan 8.360 nan 0.000 0.458 127 K N 0.538 121.022 120.400 0.140 0.000 2.137 127 K HA -0.023 4.297 4.320 -0.000 0.000 0.202 127 K C 2.029 178.538 176.600 -0.152 0.000 1.052 127 K CA 0.434 56.577 56.287 -0.240 0.000 0.961 127 K CB 0.113 32.284 32.500 -0.549 0.000 0.741 127 K HN 0.012 nan 8.250 nan 0.000 0.452 128 I N 0.518 121.049 120.570 -0.065 0.000 2.127 128 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 128 I C 2.116 178.208 176.117 -0.043 0.000 1.075 128 I CA 1.104 62.367 61.300 -0.062 0.000 1.334 128 I CB -0.234 37.731 38.000 -0.059 0.000 1.040 128 I HN -0.022 nan 8.210 nan 0.000 0.405 129 V N 0.998 120.907 119.914 -0.007 0.000 2.255 129 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 129 V C 2.738 178.834 176.094 0.004 0.000 1.051 129 V CA 2.096 64.397 62.300 0.001 0.000 1.018 129 V CB -1.112 30.727 31.823 0.027 0.000 0.641 129 V HN 0.530 nan 8.190 nan 0.000 0.445 130 A N -0.422 122.419 122.820 0.035 0.000 1.903 130 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 130 A C 2.473 180.050 177.584 -0.012 0.000 1.191 130 A CA 2.645 54.707 52.037 0.040 0.000 0.638 130 A CB -0.955 18.117 19.000 0.120 0.000 0.823 130 A HN 0.515 nan 8.150 nan 0.000 0.451 131 S N -0.651 115.016 115.700 -0.054 0.000 2.399 131 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 131 S C 1.929 176.503 174.600 -0.043 0.000 1.022 131 S CA 1.067 59.229 58.200 -0.064 0.000 0.983 131 S CB -0.316 62.830 63.200 -0.091 0.000 0.803 131 S HN 0.824 nan 8.310 nan 0.000 0.480 132 A N 0.671 123.468 122.820 -0.038 0.000 2.251 132 A HA 0.373 4.692 4.320 -0.000 0.000 0.209 132 A C 0.827 178.394 177.584 -0.028 0.000 1.187 132 A CA -0.119 51.898 52.037 -0.033 0.000 0.823 132 A CB 0.106 19.085 19.000 -0.035 0.000 0.846 132 A HN 0.322 nan 8.150 nan 0.000 0.486 133 S N -1.139 114.546 115.700 -0.025 0.000 2.638 133 S HA 0.412 4.882 4.470 -0.000 0.000 0.298 133 S C 0.932 175.517 174.600 -0.025 0.000 1.111 133 S CA -0.758 57.424 58.200 -0.029 0.000 1.027 133 S CB 1.579 64.759 63.200 -0.034 0.000 1.064 133 S HN 0.437 nan 8.310 nan 0.000 0.525 134 R N 0.260 120.741 120.500 -0.031 0.000 2.115 134 R HA 0.158 4.498 4.340 -0.000 0.000 0.226 134 R C 0.379 176.672 176.300 -0.010 0.000 1.100 134 R CA 0.759 56.847 56.100 -0.021 0.000 0.980 134 R CB 0.057 30.343 30.300 -0.024 0.000 0.875 134 R HN 0.698 nan 8.270 nan 0.000 0.445 135 A N 0.331 123.136 122.820 -0.025 0.000 2.549 135 A HA 0.513 4.833 4.320 -0.000 0.000 0.297 135 A C -1.309 176.280 177.584 0.008 0.000 1.061 135 A CA -0.650 51.398 52.037 0.019 0.000 0.690 135 A CB 1.726 20.747 19.000 0.035 0.000 1.287 135 A HN 0.132 nan 8.150 nan 0.000 0.402 136 M N 2.481 122.145 119.600 0.108 0.000 2.190 136 M HA 0.667 5.147 4.480 -0.000 0.000 0.312 136 M C -2.058 174.428 176.300 0.309 0.000 0.990 136 M CA -0.475 54.892 55.300 0.112 0.000 0.927 136 M CB 0.799 33.444 32.600 0.075 0.000 1.571 136 M HN 0.575 nan 8.290 nan 0.000 0.427 137 F N 4.279 124.151 119.950 -0.129 0.000 2.404 137 F HA 0.458 4.985 4.527 -0.000 0.000 0.354 137 F C -0.109 175.597 175.800 -0.157 0.000 1.122 137 F CA -0.977 56.928 58.000 -0.158 0.000 1.080 137 F CB 1.451 40.345 39.000 -0.176 0.000 1.131 137 F HN 0.210 nan 8.300 nan 0.000 0.471 138 V N 5.650 125.552 119.914 -0.020 0.000 2.465 138 V HA 0.348 4.468 4.120 -0.000 0.000 0.279 138 V C 0.258 176.308 176.094 -0.073 0.000 1.045 138 V CA -0.679 61.571 62.300 -0.082 0.000 0.938 138 V CB 1.221 32.961 31.823 -0.139 0.000 0.986 138 V HN 0.554 nan 8.190 nan 0.000 0.467 139 I N 2.577 123.102 120.570 -0.075 0.000 2.354 139 I HA 0.964 5.134 4.170 -0.000 0.000 0.292 139 I C -0.095 175.994 176.117 -0.047 0.000 0.989 139 I CA -0.376 60.897 61.300 -0.046 0.000 1.188 139 I CB 1.559 39.534 38.000 -0.041 0.000 1.342 139 I HN 0.616 nan 8.210 nan 0.000 0.457 140 A N 4.028 126.834 122.820 -0.024 0.000 2.594 140 A HA 0.593 4.913 4.320 -0.000 0.000 0.295 140 A C -1.313 176.272 177.584 0.000 0.000 1.071 140 A CA -0.731 51.291 52.037 -0.024 0.000 0.685 140 A CB 1.518 20.493 19.000 -0.042 0.000 1.285 140 A HN 0.917 nan 8.150 nan 0.000 0.405 141 D N 0.021 120.421 120.400 -0.000 0.000 2.354 141 D HA 0.263 4.903 4.640 -0.000 0.000 0.247 141 D C 0.845 177.153 176.300 0.013 0.000 1.138 141 D CA 0.015 54.022 54.000 0.010 0.000 0.958 141 D CB 0.681 41.488 40.800 0.011 0.000 1.144 141 D HN 0.655 nan 8.370 nan 0.000 0.458 142 E N -0.490 119.721 120.200 0.019 0.000 2.187 142 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 142 E C 1.537 178.152 176.600 0.026 0.000 1.004 142 E CA 1.859 58.273 56.400 0.023 0.000 0.813 142 E CB -0.193 29.518 29.700 0.018 0.000 0.736 142 E HN 0.703 nan 8.360 nan 0.000 0.468 143 T N -1.496 113.071 114.554 0.021 0.000 3.007 143 T HA -0.041 4.308 4.350 -0.000 0.000 0.270 143 T C 1.529 176.241 174.700 0.021 0.000 1.107 143 T CA 0.540 62.654 62.100 0.024 0.000 1.118 143 T CB 0.032 68.915 68.868 0.026 0.000 0.889 143 T HN -0.016 nan 8.240 nan 0.000 0.506 144 K N 0.706 121.110 120.400 0.006 0.000 2.305 144 K HA 0.290 4.610 4.320 -0.000 0.000 0.199 144 K C 0.943 177.546 176.600 0.005 0.000 1.047 144 K CA 0.175 56.449 56.287 -0.022 0.000 0.976 144 K CB -0.292 32.169 32.500 -0.065 0.000 0.765 144 K HN 0.497 nan 8.250 nan 0.000 0.474 145 M N 2.282 121.917 119.600 0.058 0.000 2.227 145 M HA 0.035 4.515 4.480 -0.000 0.000 0.349 145 M C 0.000 176.364 176.300 0.105 0.000 1.443 145 M CA -0.170 55.212 55.300 0.137 0.000 1.110 145 M CB 0.534 33.246 32.600 0.186 0.000 1.773 145 M HN -0.212 nan 8.290 nan 0.000 0.463 146 V N 0.412 120.393 119.914 0.113 0.000 2.914 146 V HA 0.716 4.836 4.120 -0.000 0.000 0.314 146 V C 0.428 176.584 176.094 0.105 0.000 1.084 146 V CA -0.676 61.675 62.300 0.086 0.000 0.963 146 V CB 1.269 33.129 31.823 0.063 0.000 1.025 146 V HN 0.859 nan 8.190 nan 0.000 0.432 147 K N 1.006 121.453 120.400 0.079 0.000 2.167 147 K HA 0.324 4.643 4.320 -0.000 0.000 0.203 147 K C 0.928 177.570 176.600 0.070 0.000 1.052 147 K CA 1.625 57.956 56.287 0.073 0.000 0.956 147 K CB -0.387 32.143 32.500 0.050 0.000 0.735 147 K HN 0.896 nan 8.250 nan 0.000 0.451 148 T N 0.358 114.950 114.554 0.063 0.000 2.921 148 T HA 0.544 4.894 4.350 -0.000 0.000 0.297 148 T C -0.487 174.249 174.700 0.061 0.000 1.013 148 T CA -0.608 61.527 62.100 0.057 0.000 0.990 148 T CB 1.495 70.394 68.868 0.051 0.000 1.023 148 T HN 0.249 nan 8.240 nan 0.000 0.447 149 L N 1.867 123.124 121.223 0.057 0.000 2.464 149 L HA 0.538 4.878 4.340 -0.000 0.000 0.264 149 L C 1.539 178.461 176.870 0.085 0.000 1.199 149 L CA 0.630 55.507 54.840 0.061 0.000 0.818 149 L CB 0.381 42.471 42.059 0.052 0.000 1.102 149 L HN 1.067 nan 8.230 nan 0.000 0.473 150 G N 0.357 109.220 108.800 0.105 0.000 2.336 150 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.194 150 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.194 150 G C 0.909 175.889 174.900 0.133 0.000 0.999 150 G CA 0.376 45.557 45.100 0.135 0.000 0.669 150 G HN 0.795 nan 8.290 nan 0.000 0.482 151 A N -0.134 122.762 122.820 0.126 0.000 1.940 151 A HA 0.400 4.720 4.320 -0.000 0.000 0.219 151 A C 1.014 178.668 177.584 0.115 0.000 1.176 151 A CA 1.377 53.485 52.037 0.119 0.000 0.631 151 A CB -0.293 18.774 19.000 0.111 0.000 0.814 151 A HN 1.083 nan 8.150 nan 0.000 0.446 152 F N 0.611 120.546 119.950 -0.024 0.000 2.427 152 F HA 0.500 5.027 4.527 -0.000 0.000 0.352 152 F C 0.738 176.429 175.800 -0.181 0.000 1.100 152 F CA -0.818 57.131 58.000 -0.084 0.000 1.191 152 F CB 0.670 39.625 39.000 -0.074 0.000 1.128 152 F HN 0.245 nan 8.300 nan 0.000 0.533 153 A N 6.656 129.143 122.820 -0.556 0.000 2.520 153 A HA 0.236 4.556 4.320 -0.000 0.000 0.245 153 A C -0.688 176.727 177.584 -0.281 0.000 1.072 153 A CA -0.465 51.138 52.037 -0.723 0.000 0.761 153 A CB -0.073 17.880 19.000 -1.746 0.000 1.004 153 A HN 0.800 nan 8.150 nan 0.000 0.499 154 L N 5.711 126.792 121.223 -0.236 0.000 2.361 154 L HA 0.424 4.764 4.340 -0.000 0.000 0.278 154 L C -2.258 174.561 176.870 -0.086 0.000 1.113 154 L CA -1.385 53.416 54.840 -0.065 0.000 0.849 154 L CB 0.645 42.701 42.059 -0.005 0.000 1.155 154 L HN 0.367 nan 8.230 nan 0.000 0.452 155 P HA 0.402 nan 4.420 nan 0.000 0.282 155 P C -1.156 176.227 177.300 0.138 0.000 1.249 155 P CA -0.040 63.102 63.100 0.070 0.000 0.806 155 P CB 0.905 32.673 31.700 0.113 0.000 0.984 156 I N 1.123 121.784 120.570 0.153 0.000 2.468 156 I HA 0.268 4.437 4.170 -0.000 0.000 0.285 156 I C 0.218 176.435 176.117 0.167 0.000 1.039 156 I CA -0.671 60.753 61.300 0.205 0.000 1.074 156 I CB 1.897 40.042 38.000 0.242 0.000 1.228 156 I HN 0.240 nan 8.210 nan 0.000 0.436 157 E N 6.129 126.409 120.200 0.135 0.000 2.259 157 E HA 0.469 4.819 4.350 -0.000 0.000 0.281 157 E C -0.879 175.726 176.600 0.009 0.000 1.037 157 E CA -0.480 55.969 56.400 0.081 0.000 0.854 157 E CB 1.082 30.834 29.700 0.087 0.000 1.051 157 E HN 0.465 nan 8.360 nan 0.000 0.409 158 V N 1.599 121.492 119.914 -0.035 0.000 3.001 158 V HA 0.504 4.624 4.120 -0.000 0.000 0.314 158 V C -0.291 175.718 176.094 -0.141 0.000 1.099 158 V CA -1.262 61.000 62.300 -0.063 0.000 0.989 158 V CB 1.971 33.779 31.823 -0.024 0.000 1.040 158 V HN 0.583 nan 8.190 nan 0.000 0.434 159 N N 2.807 121.435 118.700 -0.121 0.000 2.520 159 N HA 0.286 5.026 4.740 -0.000 0.000 0.273 159 N C -1.907 173.545 175.510 -0.095 0.000 1.155 159 N CA -0.937 52.052 53.050 -0.102 0.000 0.967 159 N CB 1.885 40.360 38.487 -0.020 0.000 1.092 159 N HN 0.531 nan 8.380 nan 0.000 0.457 160 P HA -0.123 nan 4.420 nan 0.000 0.215 160 P C 0.477 177.791 177.300 0.024 0.000 1.157 160 P CA 0.807 63.743 63.100 -0.273 0.000 0.868 160 P CB 0.024 31.408 31.700 -0.527 0.000 0.788 161 F N 0.917 120.834 119.950 -0.054 0.000 2.593 161 F HA 0.264 4.791 4.527 -0.000 0.000 0.393 161 F C 1.447 177.272 175.800 0.040 0.000 1.037 161 F CA 1.263 59.266 58.000 0.005 0.000 1.195 161 F CB -0.505 38.492 39.000 -0.005 0.000 1.034 161 F HN 0.284 nan 8.300 nan 0.000 0.552 162 G N 5.937 114.421 108.800 -0.527 0.000 2.160 162 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.251 162 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.251 162 G C 1.026 175.930 174.900 0.006 0.000 1.008 162 G CA 0.382 45.296 45.100 -0.311 0.000 0.724 162 G HN 0.876 nan 8.290 nan 0.000 0.514 163 I N -0.849 119.767 120.570 0.077 0.000 2.264 163 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 163 I C 2.224 178.536 176.117 0.325 0.000 1.111 163 I CA 2.296 63.722 61.300 0.210 0.000 1.382 163 I CB -0.136 37.986 38.000 0.203 0.000 1.060 163 I HN 0.555 nan 8.210 nan 0.000 0.418 164 H N 0.366 119.517 119.070 0.135 0.000 2.289 164 H HA -0.226 4.330 4.556 -0.000 0.000 0.296 164 H C 2.257 177.633 175.328 0.080 0.000 1.091 164 H CA 1.522 57.635 56.048 0.108 0.000 1.274 164 H CB 0.035 29.825 29.762 0.046 0.000 1.364 164 H HN 0.494 nan 8.280 nan 0.000 0.490 165 A N -0.413 122.518 122.820 0.185 0.000 1.933 165 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 165 A C 2.444 180.109 177.584 0.136 0.000 1.175 165 A CA 2.050 54.143 52.037 0.094 0.000 0.628 165 A CB -0.895 18.124 19.000 0.031 0.000 0.814 165 A HN 0.534 nan 8.150 nan 0.000 0.444 166 T N -0.831 113.834 114.554 0.185 0.000 2.777 166 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 166 T C 2.025 176.853 174.700 0.214 0.000 1.040 166 T CA 1.411 63.639 62.100 0.213 0.000 1.141 166 T CB -0.233 68.790 68.868 0.258 0.000 0.868 166 T HN 0.603 nan 8.240 nan 0.000 0.444 167 R N 0.832 121.468 120.500 0.226 0.000 2.096 167 R HA -0.098 4.242 4.340 -0.000 0.000 0.240 167 R C 2.308 178.601 176.300 -0.012 0.000 1.139 167 R CA 1.614 57.672 56.100 -0.071 0.000 0.952 167 R CB -0.562 29.619 30.300 -0.198 0.000 0.854 167 R HN 0.391 nan 8.270 nan 0.000 0.436 168 I N 0.577 121.195 120.570 0.080 0.000 2.163 168 I HA -0.268 3.901 4.170 -0.000 0.000 0.243 168 I C 2.582 178.734 176.117 0.059 0.000 1.085 168 I CA 1.433 62.775 61.300 0.069 0.000 1.347 168 I CB -0.449 37.597 38.000 0.076 0.000 1.044 168 I HN 0.350 nan 8.210 nan 0.000 0.408 169 A N 0.841 123.705 122.820 0.074 0.000 1.933 169 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 169 A C 2.284 179.915 177.584 0.079 0.000 1.175 169 A CA 1.397 53.476 52.037 0.071 0.000 0.628 169 A CB -0.762 18.286 19.000 0.080 0.000 0.814 169 A HN 0.398 nan 8.150 nan 0.000 0.444 170 I N -0.525 120.106 120.570 0.101 0.000 2.252 170 I HA -0.247 3.922 4.170 -0.000 0.000 0.245 170 I C 2.437 178.641 176.117 0.145 0.000 1.102 170 I CA 1.539 62.926 61.300 0.145 0.000 1.385 170 I CB -0.444 37.655 38.000 0.165 0.000 1.064 170 I HN 0.384 nan 8.210 nan 0.000 0.414 171 E N 1.043 121.300 120.200 0.096 0.000 2.118 171 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 171 E C 2.536 179.164 176.600 0.047 0.000 0.992 171 E CA 1.886 58.338 56.400 0.087 0.000 0.804 171 E CB -0.203 29.527 29.700 0.049 0.000 0.741 171 E HN 0.531 nan 8.360 nan 0.000 0.458 172 K N 0.864 121.284 120.400 0.034 0.000 2.057 172 K HA 0.072 4.391 4.320 -0.000 0.000 0.206 172 K C 2.137 178.730 176.600 -0.012 0.000 1.050 172 K CA 1.267 57.560 56.287 0.011 0.000 0.935 172 K CB -1.002 31.508 32.500 0.016 0.000 0.715 172 K HN 0.210 nan 8.250 nan 0.000 0.439 173 A N 1.189 124.006 122.820 -0.004 0.000 1.877 173 A HA 0.220 4.539 4.320 -0.000 0.000 0.216 173 A C 2.808 180.317 177.584 -0.126 0.000 1.186 173 A CA 2.241 54.254 52.037 -0.040 0.000 0.620 173 A CB -0.998 17.997 19.000 -0.008 0.000 0.822 173 A HN 0.933 nan 8.150 nan 0.000 0.443 174 A N 0.363 123.083 122.820 -0.166 0.000 1.884 174 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 174 A C 1.790 179.228 177.584 -0.243 0.000 1.197 174 A CA 2.203 54.025 52.037 -0.359 0.000 0.637 174 A CB -0.914 17.913 19.000 -0.288 0.000 0.827 174 A HN 0.486 nan 8.150 nan 0.000 0.450 175 D N -0.081 120.247 120.400 -0.120 0.000 2.133 175 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 175 D C 1.730 177.976 176.300 -0.090 0.000 0.997 175 D CA 1.287 55.237 54.000 -0.084 0.000 0.840 175 D CB -0.502 40.274 40.800 -0.040 0.000 0.947 175 D HN 0.464 nan 8.370 nan 0.000 0.452 176 N N 0.057 118.705 118.700 -0.087 0.000 2.309 176 N HA -0.064 4.676 4.740 -0.000 0.000 0.182 176 N C 1.518 176.971 175.510 -0.094 0.000 1.018 176 N CA 0.400 53.405 53.050 -0.075 0.000 0.876 176 N CB 0.111 38.563 38.487 -0.058 0.000 0.972 176 N HN 0.256 nan 8.380 nan 0.000 0.434 177 L N -0.445 120.693 121.223 -0.142 0.000 2.607 177 L HA 0.226 4.566 4.340 -0.000 0.000 0.228 177 L C 0.996 177.769 176.870 -0.161 0.000 1.123 177 L CA -0.060 54.687 54.840 -0.156 0.000 0.890 177 L CB 0.106 42.039 42.059 -0.210 0.000 1.103 177 L HN 0.051 nan 8.230 nan 0.000 0.468 178 G N 1.093 109.805 108.800 -0.147 0.000 2.221 178 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.265 178 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.265 178 G C -0.079 174.726 174.900 -0.158 0.000 1.041 178 G CA -0.033 44.994 45.100 -0.122 0.000 0.807 178 G HN 0.244 nan 8.290 nan 0.000 0.502 179 L N 0.205 121.266 121.223 -0.269 0.000 2.322 179 L HA 0.776 5.116 4.340 -0.000 0.000 0.279 179 L C 0.332 177.070 176.870 -0.221 0.000 1.036 179 L CA -0.728 53.888 54.840 -0.374 0.000 0.807 179 L CB 2.098 43.582 42.059 -0.958 0.000 1.226 179 L HN 0.167 nan 8.230 nan 0.000 0.433 180 S N 0.520 116.216 115.700 -0.006 0.000 2.546 180 S HA 0.944 5.414 4.470 -0.000 0.000 0.274 180 S C -0.326 174.482 174.600 0.347 0.000 1.121 180 S CA -0.556 57.735 58.200 0.153 0.000 0.887 180 S CB 2.281 65.528 63.200 0.078 0.000 1.094 180 S HN 1.027 nan 8.310 nan 0.000 0.474 181 G N -0.024 108.966 108.800 0.317 0.000 2.350 181 G HA2 0.453 4.413 3.960 -0.000 0.000 0.304 181 G HA3 0.453 4.413 3.960 -0.000 0.000 0.304 181 G C -1.074 173.920 174.900 0.157 0.000 1.421 181 G CA -0.222 45.023 45.100 0.242 0.000 0.934 181 G HN 0.922 nan 8.290 nan 0.000 0.632 182 E N 0.063 120.306 120.200 0.071 0.000 2.392 182 E HA 0.510 4.860 4.350 -0.000 0.000 0.264 182 E C 0.387 176.997 176.600 0.016 0.000 1.024 182 E CA -0.123 56.285 56.400 0.014 0.000 0.903 182 E CB 0.581 30.234 29.700 -0.077 0.000 0.963 182 E HN 0.774 nan 8.360 nan 0.000 0.432 183 I N 3.497 124.037 120.570 -0.050 0.000 2.371 183 I HA 0.273 4.443 4.170 -0.000 0.000 0.282 183 I C 0.447 176.511 176.117 -0.089 0.000 1.031 183 I CA -0.424 60.791 61.300 -0.142 0.000 1.180 183 I CB 0.349 38.173 38.000 -0.293 0.000 1.336 183 I HN 0.666 nan 8.210 nan 0.000 0.467 184 T N 3.402 118.002 114.554 0.075 0.000 2.895 184 T HA 0.606 4.956 4.350 -0.000 0.000 0.283 184 T C -0.379 174.508 174.700 0.312 0.000 1.014 184 T CA -0.789 61.396 62.100 0.142 0.000 1.037 184 T CB 2.471 71.414 68.868 0.125 0.000 1.006 184 T HN 0.282 nan 8.240 nan 0.000 0.468 185 L N 2.102 123.511 121.223 0.311 0.000 2.331 185 L HA 0.513 4.852 4.340 -0.000 0.000 0.278 185 L C 0.565 177.496 176.870 0.101 0.000 1.106 185 L CA -0.502 54.491 54.840 0.256 0.000 0.824 185 L CB 0.606 42.744 42.059 0.132 0.000 1.142 185 L HN 0.776 nan 8.230 nan 0.000 0.443 186 R N 4.966 125.512 120.500 0.078 0.000 2.458 186 R HA 0.232 4.572 4.340 -0.000 0.000 0.303 186 R C -0.818 175.509 176.300 0.046 0.000 1.013 186 R CA 0.494 56.633 56.100 0.065 0.000 1.026 186 R CB 0.084 30.455 30.300 0.117 0.000 0.948 186 R HN 0.571 nan 8.270 nan 0.000 0.417 187 M N 3.207 122.817 119.600 0.016 0.000 2.537 187 M HA 0.288 4.768 4.480 -0.000 0.000 0.324 187 M C -0.350 175.965 176.300 0.025 0.000 1.187 187 M CA -0.473 54.831 55.300 0.006 0.000 0.993 187 M CB 1.793 34.381 32.600 -0.019 0.000 1.666 187 M HN 0.634 nan 8.290 nan 0.000 0.461 188 N N 1.120 119.855 118.700 0.058 0.000 2.727 188 N HA 0.429 5.169 4.740 -0.000 0.000 0.252 188 N C -0.089 175.442 175.510 0.036 0.000 1.283 188 N CA 0.611 53.700 53.050 0.066 0.000 0.782 188 N CB 0.861 39.472 38.487 0.207 0.000 1.199 188 N HN 0.962 nan 8.380 nan 0.000 0.520 189 G N 2.378 111.182 108.800 0.007 0.000 2.481 189 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.230 189 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.230 189 G C -0.495 174.397 174.900 -0.014 0.000 1.210 189 G CA -0.150 44.948 45.100 -0.002 0.000 0.936 189 G HN 0.478 nan 8.290 nan 0.000 0.583 190 D N 2.057 122.448 120.400 -0.016 0.000 2.895 190 D HA 0.443 5.083 4.640 -0.000 0.000 0.258 190 D C -0.658 175.621 176.300 -0.036 0.000 1.311 190 D CA 0.065 54.049 54.000 -0.027 0.000 0.843 190 D CB -0.422 40.364 40.800 -0.022 0.000 1.055 190 D HN 0.323 nan 8.370 nan 0.000 0.486 191 D N 0.398 120.775 120.400 -0.039 0.000 2.787 191 D HA 0.322 4.962 4.640 -0.000 0.000 0.246 191 D C -2.537 173.700 176.300 -0.105 0.000 1.150 191 D CA -1.499 52.464 54.000 -0.061 0.000 0.864 191 D CB 2.135 42.920 40.800 -0.023 0.000 1.481 191 D HN -0.036 nan 8.370 nan 0.000 0.509 192 P HA 0.010 nan 4.420 nan 0.000 0.266 192 P C -0.507 176.685 177.300 -0.181 0.000 1.195 192 P CA -0.293 62.573 63.100 -0.390 0.000 0.768 192 P CB 0.257 31.303 31.700 -1.090 0.000 0.838 193 F N 3.780 123.631 119.950 -0.166 0.000 2.541 193 F HA 0.138 4.665 4.527 -0.000 0.000 0.378 193 F C 0.664 176.522 175.800 0.097 0.000 1.068 193 F CA -0.073 57.908 58.000 -0.032 0.000 1.199 193 F CB 0.184 39.173 39.000 -0.018 0.000 1.091 193 F HN 0.107 nan 8.300 nan 0.000 0.555 194 K N 5.654 125.757 120.400 -0.495 0.000 2.240 194 K HA 0.267 4.587 4.320 -0.000 0.000 0.271 194 K C 0.066 176.161 176.600 -0.842 0.000 1.018 194 K CA -0.593 55.475 56.287 -0.365 0.000 0.874 194 K CB 0.745 33.194 32.500 -0.085 0.000 1.098 194 K HN 0.821 nan 8.250 nan 0.000 0.458 195 T N 0.631 114.810 114.554 -0.625 0.000 2.748 195 T HA 0.032 4.382 4.350 -0.000 0.000 0.304 195 T C 0.819 175.313 174.700 -0.345 0.000 1.041 195 T CA -0.422 61.402 62.100 -0.460 0.000 1.033 195 T CB 0.585 69.359 68.868 -0.156 0.000 0.995 195 T HN 0.501 nan 8.240 nan 0.000 0.536 196 D N 1.201 121.425 120.400 -0.293 0.000 2.182 196 D HA -0.023 4.617 4.640 -0.000 0.000 0.201 196 D C 2.200 178.375 176.300 -0.209 0.000 0.986 196 D CA 1.522 55.368 54.000 -0.256 0.000 0.847 196 D CB -0.829 39.726 40.800 -0.408 0.000 0.942 196 D HN 0.845 nan 8.370 nan 0.000 0.467 197 G N -0.463 108.178 108.800 -0.266 0.000 2.679 197 G HA2 0.146 4.106 3.960 -0.000 0.000 0.212 197 G HA3 0.146 4.106 3.960 -0.000 0.000 0.212 197 G C 1.159 175.622 174.900 -0.729 0.000 1.137 197 G CA 0.570 45.450 45.100 -0.368 0.000 0.787 197 G HN 0.461 nan 8.290 nan 0.000 0.534 198 G N -0.608 107.860 108.800 -0.553 0.000 2.182 198 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.248 198 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.248 198 G C -0.028 174.555 174.900 -0.527 0.000 1.042 198 G CA 0.355 45.177 45.100 -0.464 0.000 0.775 198 G HN 0.820 nan 8.290 nan 0.000 0.501 199 H N -1.806 117.129 119.070 -0.225 0.000 2.754 199 H HA 0.798 5.354 4.556 -0.000 0.000 0.352 199 H C -0.122 175.097 175.328 -0.182 0.000 1.213 199 H CA -1.231 54.645 56.048 -0.287 0.000 1.244 199 H CB 1.101 30.774 29.762 -0.148 0.000 1.843 199 H HN 0.052 nan 8.280 nan 0.000 0.587 200 F N 0.004 119.959 119.950 0.009 0.000 2.461 200 F HA 0.536 5.063 4.527 -0.000 0.000 0.337 200 F C -0.028 175.722 175.800 -0.084 0.000 1.079 200 F CA -1.142 56.804 58.000 -0.091 0.000 1.032 200 F CB 0.612 39.500 39.000 -0.187 0.000 1.327 200 F HN 0.217 nan 8.300 nan 0.000 0.491 201 I N 0.910 121.555 120.570 0.125 0.000 2.569 201 I HA 0.260 4.430 4.170 -0.000 0.000 0.290 201 I C -1.465 174.631 176.117 -0.035 0.000 1.088 201 I CA -0.548 60.796 61.300 0.073 0.000 1.047 201 I CB 2.057 40.180 38.000 0.206 0.000 1.237 201 I HN 0.170 nan 8.210 nan 0.000 0.421 202 F N 3.652 123.662 119.950 0.099 0.000 2.408 202 F HA 0.353 4.879 4.527 -0.000 0.000 0.344 202 F C 0.437 176.209 175.800 -0.047 0.000 1.112 202 F CA -0.760 57.257 58.000 0.029 0.000 1.096 202 F CB 0.900 39.911 39.000 0.018 0.000 1.129 202 F HN 0.299 nan 8.300 nan 0.000 0.486 203 D N 2.638 123.117 120.400 0.132 0.000 2.274 203 D HA 0.432 5.071 4.640 -0.000 0.000 0.239 203 D C -0.552 175.581 176.300 -0.277 0.000 1.104 203 D CA -0.120 53.799 54.000 -0.135 0.000 0.840 203 D CB 1.920 42.610 40.800 -0.184 0.000 1.100 203 D HN 0.537 nan 8.370 nan 0.000 0.477 204 A N 3.186 125.666 122.820 -0.566 0.000 2.253 204 A HA 0.365 4.685 4.320 -0.000 0.000 0.316 204 A C -0.390 176.662 177.584 -0.886 0.000 1.327 204 A CA -0.612 50.863 52.037 -0.936 0.000 0.917 204 A CB -0.213 17.649 19.000 -1.898 0.000 1.162 204 A HN 0.477 nan 8.150 nan 0.000 0.535 205 F N 2.855 122.503 119.950 -0.503 0.000 2.640 205 F HA 0.125 4.652 4.527 -0.000 0.000 0.354 205 F C 0.434 176.175 175.800 -0.099 0.000 1.213 205 F CA -0.058 57.793 58.000 -0.249 0.000 1.314 205 F CB 0.238 39.141 39.000 -0.163 0.000 1.679 205 F HN 0.766 nan 8.300 nan 0.000 0.622 206 W N 0.353 121.696 121.300 0.072 0.000 2.905 206 W HA 0.171 4.831 4.660 -0.000 0.000 0.251 206 W C 1.770 178.320 176.519 0.051 0.000 1.305 206 W CA 0.785 58.162 57.345 0.053 0.000 1.465 206 W CB -0.794 28.678 29.460 0.021 0.000 1.122 206 W HN 0.578 nan 8.180 nan 0.000 0.659 207 G N 1.083 110.031 108.800 0.246 0.000 2.412 207 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.252 207 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.252 207 G C 0.600 175.587 174.900 0.144 0.000 1.038 207 G CA 0.966 46.168 45.100 0.170 0.000 0.628 207 G HN 0.334 nan 8.290 nan 0.000 0.531 208 R N -0.432 120.164 120.500 0.160 0.000 2.522 208 R HA 0.598 4.937 4.340 -0.000 0.000 0.273 208 R C -1.724 174.635 176.300 0.098 0.000 1.133 208 R CA -0.845 55.321 56.100 0.109 0.000 0.969 208 R CB 0.707 31.053 30.300 0.075 0.000 1.235 208 R HN 0.268 nan 8.270 nan 0.000 0.433 209 I N 7.212 127.831 120.570 0.082 0.000 2.521 209 I HA 0.167 4.337 4.170 -0.000 0.000 0.277 209 I C 0.563 176.697 176.117 0.029 0.000 1.054 209 I CA -0.455 60.877 61.300 0.054 0.000 1.117 209 I CB 1.744 39.802 38.000 0.097 0.000 1.217 209 I HN 0.625 nan 8.210 nan 0.000 0.469 210 L N 3.732 124.959 121.223 0.006 0.000 2.307 210 L HA 0.108 4.448 4.340 -0.000 0.000 0.211 210 L C 0.824 177.694 176.870 -0.000 0.000 1.099 210 L CA 0.702 55.546 54.840 0.007 0.000 0.816 210 L CB -0.093 41.966 42.059 0.001 0.000 0.952 210 L HN 0.561 nan 8.230 nan 0.000 0.455 211 Q N 0.034 119.824 119.800 -0.017 0.000 2.788 211 Q HA 0.232 4.571 4.340 -0.000 0.000 0.285 211 Q C -1.880 174.107 176.000 -0.022 0.000 1.063 211 Q CA -1.547 54.244 55.803 -0.020 0.000 0.958 211 Q CB 1.083 29.801 28.738 -0.034 0.000 1.211 211 Q HN 0.115 nan 8.270 nan 0.000 0.478 212 P HA -0.141 nan 4.420 nan 0.000 0.217 212 P C 1.383 178.683 177.300 -0.000 0.000 1.151 212 P CA 1.597 64.700 63.100 0.004 0.000 0.828 212 P CB 0.373 32.089 31.700 0.026 0.000 0.788 213 K N 0.427 120.832 120.400 0.008 0.000 2.057 213 K HA -0.086 4.233 4.320 -0.000 0.000 0.206 213 K C 2.125 178.726 176.600 0.001 0.000 1.050 213 K CA 1.578 57.873 56.287 0.014 0.000 0.935 213 K CB -1.838 30.672 32.500 0.016 0.000 0.715 213 K HN 0.123 nan 8.250 nan 0.000 0.439 214 L N -0.342 120.873 121.223 -0.014 0.000 2.083 214 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 214 L C 2.737 179.581 176.870 -0.043 0.000 1.083 214 L CA 1.015 55.840 54.840 -0.026 0.000 0.752 214 L CB -0.333 41.705 42.059 -0.035 0.000 0.899 214 L HN 0.401 nan 8.230 nan 0.000 0.433 215 L N -0.979 120.205 121.223 -0.065 0.000 2.093 215 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 215 L C 2.669 179.472 176.870 -0.111 0.000 1.085 215 L CA 1.729 56.509 54.840 -0.100 0.000 0.755 215 L CB -0.493 41.495 42.059 -0.117 0.000 0.904 215 L HN 0.122 nan 8.230 nan 0.000 0.435 216 S N -0.519 115.116 115.700 -0.109 0.000 2.353 216 S HA -0.243 4.227 4.470 -0.000 0.000 0.222 216 S C 1.884 176.527 174.600 0.072 0.000 1.035 216 S CA 1.684 59.834 58.200 -0.084 0.000 1.025 216 S CB -0.345 62.907 63.200 0.087 0.000 0.902 216 S HN 0.636 nan 8.310 nan 0.000 0.440 217 E N 0.736 120.966 120.200 0.050 0.000 2.086 217 E HA -0.204 4.146 4.350 -0.000 0.000 0.200 217 E C 2.379 179.003 176.600 0.041 0.000 1.012 217 E CA 1.291 57.720 56.400 0.047 0.000 0.812 217 E CB -0.382 29.331 29.700 0.023 0.000 0.743 217 E HN 0.631 nan 8.360 nan 0.000 0.453 218 A N 0.983 123.812 122.820 0.015 0.000 1.902 218 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 218 A C 2.205 179.817 177.584 0.046 0.000 1.181 218 A CA 1.135 53.181 52.037 0.014 0.000 0.623 218 A CB -0.582 18.405 19.000 -0.021 0.000 0.818 218 A HN 0.130 nan 8.150 nan 0.000 0.443 219 L N -0.769 120.491 121.223 0.061 0.000 2.072 219 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 219 L C 2.494 179.459 176.870 0.159 0.000 1.079 219 L CA 0.852 55.767 54.840 0.125 0.000 0.752 219 L CB -0.494 41.646 42.059 0.136 0.000 0.906 219 L HN 0.355 nan 8.230 nan 0.000 0.436 220 L N -0.268 121.060 121.223 0.175 0.000 2.131 220 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 220 L C 2.759 179.676 176.870 0.079 0.000 1.092 220 L CA 0.904 55.824 54.840 0.134 0.000 0.759 220 L CB -0.673 41.459 42.059 0.123 0.000 0.903 220 L HN 0.234 nan 8.230 nan 0.000 0.435 221 A N 0.024 122.884 122.820 0.068 0.000 2.067 221 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 221 A C 1.228 178.844 177.584 0.053 0.000 1.158 221 A CA 0.453 52.519 52.037 0.049 0.000 0.661 221 A CB -0.581 18.442 19.000 0.038 0.000 0.801 221 A HN 0.303 nan 8.150 nan 0.000 0.452 222 I N 0.545 121.157 120.570 0.070 0.000 2.452 222 I HA 0.086 4.256 4.170 -0.000 0.000 0.287 222 I C -1.515 174.646 176.117 0.073 0.000 1.079 222 I CA -1.630 59.716 61.300 0.077 0.000 1.387 222 I CB 1.230 39.290 38.000 0.101 0.000 1.404 222 I HN 0.043 nan 8.210 nan 0.000 0.522 223 P HA -0.160 nan 4.420 nan 0.000 0.216 223 P C 1.423 178.759 177.300 0.060 0.000 1.150 223 P CA 1.066 64.200 63.100 0.058 0.000 0.843 223 P CB 0.237 31.976 31.700 0.066 0.000 0.787 224 G N -1.382 107.469 108.800 0.084 0.000 2.777 224 G HA2 0.012 3.972 3.960 -0.000 0.000 0.211 224 G HA3 0.012 3.972 3.960 -0.000 0.000 0.211 224 G C 0.274 175.204 174.900 0.050 0.000 1.149 224 G CA -0.021 45.128 45.100 0.082 0.000 0.785 224 G HN 0.151 nan 8.290 nan 0.000 0.536 225 V N 1.811 121.768 119.914 0.071 0.000 2.415 225 V HA 0.049 4.169 4.120 -0.000 0.000 0.267 225 V C 1.561 177.655 176.094 0.000 0.000 1.042 225 V CA -0.162 62.180 62.300 0.070 0.000 1.000 225 V CB 1.204 33.107 31.823 0.134 0.000 1.015 225 V HN 0.058 nan 8.190 nan 0.000 0.478 226 V N 3.728 123.594 119.914 -0.079 0.000 2.323 226 V HA 0.053 4.173 4.120 -0.000 0.000 0.244 226 V C 0.947 176.992 176.094 -0.081 0.000 1.041 226 V CA 1.568 63.776 62.300 -0.154 0.000 1.025 226 V CB -0.069 31.523 31.823 -0.385 0.000 0.656 226 V HN 0.926 nan 8.190 nan 0.000 0.451 227 E N -2.068 118.105 120.200 -0.044 0.000 2.432 227 E HA 0.388 4.738 4.350 -0.000 0.000 0.279 227 E C -1.608 174.996 176.600 0.006 0.000 1.099 227 E CA -0.481 55.863 56.400 -0.094 0.000 0.859 227 E CB 2.113 31.744 29.700 -0.114 0.000 1.402 227 E HN 0.646 nan 8.360 nan 0.000 0.451 228 H N -3.147 115.972 119.070 0.081 0.000 2.990 228 H HA 0.603 5.159 4.556 -0.000 0.000 0.343 228 H C 0.627 176.061 175.328 0.177 0.000 1.270 228 H CA -0.374 55.749 56.048 0.125 0.000 1.118 228 H CB 0.886 30.728 29.762 0.132 0.000 1.861 228 H HN 0.517 nan 8.280 nan 0.000 0.544 229 G N 0.038 109.093 108.800 0.426 0.000 3.026 229 G HA2 0.133 4.093 3.960 -0.000 0.000 0.208 229 G HA3 0.133 4.093 3.960 -0.000 0.000 0.208 229 G C -0.178 174.998 174.900 0.460 0.000 1.169 229 G CA -0.199 45.136 45.100 0.391 0.000 0.788 229 G HN 0.441 nan 8.290 nan 0.000 0.533 230 L N 1.344 122.931 121.223 0.607 0.000 2.283 230 L HA 0.370 4.710 4.340 -0.000 0.000 0.287 230 L C -0.725 176.449 176.870 0.506 0.000 1.073 230 L CA -0.792 54.320 54.840 0.454 0.000 0.822 230 L CB 0.808 43.039 42.059 0.287 0.000 1.186 230 L HN -0.070 nan 8.230 nan 0.000 0.436 231 F N 4.868 124.852 119.950 0.056 0.000 2.313 231 F HA 0.386 4.912 4.527 -0.000 0.000 0.369 231 F C -0.038 175.761 175.800 -0.001 0.000 1.109 231 F CA -0.696 57.311 58.000 0.012 0.000 1.132 231 F CB 0.811 39.795 39.000 -0.026 0.000 1.291 231 F HN 0.227 nan 8.300 nan 0.000 0.496 232 L N 2.368 123.668 121.223 0.129 0.000 2.272 232 L HA 0.536 4.876 4.340 -0.000 0.000 0.289 232 L C 0.940 177.831 176.870 0.035 0.000 1.032 232 L CA -0.295 54.589 54.840 0.073 0.000 0.810 232 L CB 1.491 43.591 42.059 0.069 0.000 1.205 232 L HN 0.817 nan 8.230 nan 0.000 0.422 233 G N 3.206 112.019 108.800 0.022 0.000 2.283 233 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.280 233 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.280 233 G C 0.664 175.568 174.900 0.007 0.000 1.029 233 G CA 0.786 45.890 45.100 0.007 0.000 0.840 233 G HN 0.596 nan 8.290 nan 0.000 0.505 234 L N -0.882 120.358 121.223 0.028 0.000 2.445 234 L HA 0.433 4.773 4.340 -0.000 0.000 0.207 234 L C 2.038 178.933 176.870 0.042 0.000 1.053 234 L CA 0.648 55.512 54.840 0.039 0.000 0.841 234 L CB -0.168 41.938 42.059 0.077 0.000 1.074 234 L HN 0.423 nan 8.230 nan 0.000 0.479 235 A N -0.010 122.826 122.820 0.026 0.000 2.450 235 A HA 0.313 4.633 4.320 -0.000 0.000 0.255 235 A C 0.964 178.513 177.584 -0.058 0.000 1.096 235 A CA 0.256 52.280 52.037 -0.022 0.000 0.778 235 A CB 0.384 19.329 19.000 -0.091 0.000 1.031 235 A HN 0.354 nan 8.150 nan 0.000 0.494 236 S N 0.914 116.587 115.700 -0.045 0.000 2.524 236 S HA 0.481 4.950 4.470 -0.000 0.000 0.222 236 S C 0.867 175.337 174.600 -0.218 0.000 1.040 236 S CA 0.589 58.739 58.200 -0.084 0.000 0.915 236 S CB 0.075 63.277 63.200 0.004 0.000 0.831 236 S HN 1.455 nan 8.310 nan 0.000 0.492 237 R N 0.751 121.065 120.500 -0.309 0.000 2.651 237 R HA 0.895 5.234 4.340 -0.000 0.000 0.278 237 R C -1.128 174.942 176.300 -0.384 0.000 1.010 237 R CA -0.457 55.335 56.100 -0.514 0.000 0.896 237 R CB 0.659 30.304 30.300 -1.092 0.000 1.211 237 R HN 0.673 nan 8.270 nan 0.000 0.456 238 A N 1.764 124.425 122.820 -0.265 0.000 2.303 238 A HA 0.783 5.103 4.320 -0.000 0.000 0.320 238 A C -0.645 176.869 177.584 -0.117 0.000 1.192 238 A CA -0.583 51.361 52.037 -0.156 0.000 0.821 238 A CB 0.525 19.483 19.000 -0.071 0.000 1.188 238 A HN 0.715 nan 8.150 nan 0.000 0.492 239 I N 3.208 123.724 120.570 -0.091 0.000 2.330 239 I HA 0.342 4.512 4.170 -0.000 0.000 0.286 239 I C -0.799 175.325 176.117 0.011 0.000 1.025 239 I CA -0.330 60.955 61.300 -0.025 0.000 1.197 239 I CB 1.631 39.645 38.000 0.023 0.000 1.358 239 I HN 0.311 nan 8.210 nan 0.000 0.467 240 V N 5.848 125.776 119.914 0.024 0.000 2.407 240 V HA 0.604 4.724 4.120 -0.000 0.000 0.291 240 V C 0.322 176.434 176.094 0.029 0.000 1.018 240 V CA -0.768 61.550 62.300 0.030 0.000 0.842 240 V CB 1.536 33.389 31.823 0.050 0.000 0.996 240 V HN 0.743 nan 8.190 nan 0.000 0.426 241 A N 7.348 130.185 122.820 0.028 0.000 2.309 241 A HA 0.795 5.114 4.320 -0.000 0.000 0.290 241 A C -0.016 177.580 177.584 0.020 0.000 1.206 241 A CA -0.401 51.652 52.037 0.026 0.000 0.850 241 A CB 0.272 19.289 19.000 0.029 0.000 1.118 241 A HN 0.701 nan 8.150 nan 0.000 0.523 242 M N 2.134 121.744 119.600 0.017 0.000 2.444 242 M HA 0.376 4.855 4.480 -0.000 0.000 0.319 242 M C 1.388 177.695 176.300 0.012 0.000 1.183 242 M CA -0.384 54.923 55.300 0.012 0.000 1.032 242 M CB 0.913 33.518 32.600 0.007 0.000 1.569 242 M HN 0.766 nan 8.290 nan 0.000 0.468 243 A N 1.171 123.997 122.820 0.011 0.000 2.019 243 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 243 A C 1.156 178.745 177.584 0.009 0.000 1.164 243 A CA 1.897 53.940 52.037 0.010 0.000 0.644 243 A CB -0.855 18.151 19.000 0.010 0.000 0.805 243 A HN 0.883 nan 8.150 nan 0.000 0.449 244 D N -1.871 118.533 120.400 0.007 0.000 2.324 244 D HA 0.138 4.778 4.640 -0.000 0.000 0.235 244 D C 0.612 176.917 176.300 0.007 0.000 1.095 244 D CA 0.809 54.812 54.000 0.006 0.000 0.871 244 D CB -0.369 40.434 40.800 0.004 0.000 0.906 244 D HN 0.166 nan 8.370 nan 0.000 0.522 245 S N -1.668 114.037 115.700 0.009 0.000 2.691 245 S HA -0.287 4.182 4.470 -0.000 0.000 0.262 245 S C 0.362 174.969 174.600 0.012 0.000 1.284 245 S CA 0.914 59.120 58.200 0.011 0.000 1.372 245 S CB -1.605 61.601 63.200 0.009 0.000 1.693 245 S HN 0.772 nan 8.310 nan 0.000 0.647 246 Q N 1.002 120.809 119.800 0.010 0.000 2.361 246 Q HA 0.418 4.758 4.340 -0.000 0.000 0.276 246 Q C -0.462 175.548 176.000 0.017 0.000 1.022 246 Q CA 0.416 56.226 55.803 0.012 0.000 0.898 246 Q CB 0.369 29.111 28.738 0.007 0.000 1.246 246 Q HN 0.603 nan 8.270 nan 0.000 0.410 247 I N 4.499 125.083 120.570 0.023 0.000 2.382 247 I HA 0.320 4.490 4.170 -0.000 0.000 0.285 247 I C -0.494 175.642 176.117 0.033 0.000 1.007 247 I CA -0.630 60.689 61.300 0.031 0.000 1.142 247 I CB 1.386 39.411 38.000 0.042 0.000 1.289 247 I HN 0.441 nan 8.210 nan 0.000 0.453 248 K N 5.461 125.876 120.400 0.025 0.000 2.211 248 K HA 0.523 4.843 4.320 -0.000 0.000 0.275 248 K C -0.768 175.840 176.600 0.013 0.000 1.024 248 K CA -0.681 55.616 56.287 0.015 0.000 0.887 248 K CB 2.505 35.003 32.500 -0.003 0.000 1.084 248 K HN 0.305 nan 8.250 nan 0.000 0.463 249 V N 5.942 125.862 119.914 0.011 0.000 2.333 249 V HA 0.290 4.410 4.120 -0.000 0.000 0.274 249 V C -0.146 175.907 176.094 -0.068 0.000 1.028 249 V CA -0.586 61.694 62.300 -0.034 0.000 0.851 249 V CB 0.361 32.195 31.823 0.019 0.000 1.000 249 V HN 0.590 nan 8.190 nan 0.000 0.456 250 L N 4.097 125.263 121.223 -0.096 0.000 2.333 250 L HA 0.701 5.041 4.340 -0.000 0.000 0.269 250 L C -0.199 176.564 176.870 -0.179 0.000 1.010 250 L CA -0.623 54.172 54.840 -0.074 0.000 0.818 250 L CB 2.481 44.575 42.059 0.060 0.000 1.306 250 L HN 0.501 nan 8.230 nan 0.000 0.430 251 E N 1.076 121.084 120.200 -0.320 0.000 2.281 251 E HA 0.368 4.718 4.350 -0.000 0.000 0.262 251 E C -1.991 174.366 176.600 -0.405 0.000 0.933 251 E CA -1.663 54.384 56.400 -0.589 0.000 0.809 251 E CB 2.103 30.998 29.700 -1.341 0.000 1.242 251 E HN 0.184 nan 8.360 nan 0.000 0.418 252 P HA -0.132 nan 4.420 nan 0.000 0.218 252 P C 0.731 178.042 177.300 0.019 0.000 1.148 252 P CA 1.030 64.074 63.100 -0.093 0.000 0.822 252 P CB -0.074 31.572 31.700 -0.090 0.000 0.784 253 F N -0.769 119.230 119.950 0.082 0.000 2.346 253 F HA -0.114 4.413 4.527 -0.000 0.000 0.301 253 F C 1.136 176.963 175.800 0.046 0.000 1.070 253 F CA 0.902 58.935 58.000 0.055 0.000 1.407 253 F CB -1.929 37.086 39.000 0.025 0.000 1.072 253 F HN -0.088 nan 8.300 nan 0.000 0.543 254 D N -0.585 119.939 120.400 0.207 0.000 2.340 254 D HA 0.101 4.741 4.640 -0.000 0.000 0.220 254 D C 0.245 176.445 176.300 -0.166 0.000 1.039 254 D CA 0.402 54.440 54.000 0.064 0.000 0.866 254 D CB 0.005 40.767 40.800 -0.062 0.000 0.913 254 D HN 0.243 nan 8.370 nan 0.000 0.523 255 F N 0.000 119.957 119.950 0.011 0.000 2.286 255 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 255 F CA 0.000 58.001 58.000 0.001 0.000 1.383 255 F CB 0.000 38.984 39.000 -0.026 0.000 1.145 255 F HN 0.000 nan 8.300 nan 0.000 0.574