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 1wbt_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPPL DATA SEQUENCE DQ 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.041 0.000 1.382 4 E CA 0.000 56.416 56.400 0.026 0.000 0.976 4 E CB 0.000 29.716 29.700 0.026 0.000 0.812 5 R N 2.800 123.342 120.500 0.071 0.000 2.486 5 R HA 0.076 4.421 4.340 0.008 0.000 0.303 5 R C -2.199 174.169 176.300 0.115 0.000 0.958 5 R CA -0.772 55.403 56.100 0.126 0.000 1.077 5 R CB 0.267 30.659 30.300 0.153 0.000 0.921 5 R HN 0.025 nan 8.270 nan 0.000 0.406 6 P HA 0.042 nan 4.420 nan 0.000 0.271 6 P C -0.658 176.669 177.300 0.046 0.000 1.244 6 P CA -0.101 62.958 63.100 -0.069 0.000 0.793 6 P CB 0.484 31.973 31.700 -0.351 0.000 0.984 7 T N 1.285 115.830 114.554 -0.016 0.000 2.817 7 T HA 0.406 4.761 4.350 0.008 0.000 0.293 7 T C -0.256 174.465 174.700 0.035 0.000 0.964 7 T CA 0.139 62.302 62.100 0.105 0.000 1.085 7 T CB -0.215 68.692 68.868 0.065 0.000 0.921 7 T HN 0.064 nan 8.240 nan 0.000 0.502 8 F N 2.787 122.754 119.950 0.029 0.000 2.458 8 F HA 0.560 5.091 4.527 0.006 0.000 0.330 8 F C 0.013 175.894 175.800 0.134 0.000 1.082 8 F CA -1.309 56.706 58.000 0.027 0.000 0.995 8 F CB 1.014 39.998 39.000 -0.026 0.000 1.170 8 F HN 0.555 nan 8.300 nan 0.000 0.478 9 Y N -0.437 119.953 120.300 0.151 0.000 2.524 9 Y HA 0.823 5.376 4.550 0.006 0.000 0.344 9 Y C -0.750 175.246 175.900 0.161 0.000 1.012 9 Y CA -1.873 56.303 58.100 0.127 0.000 1.068 9 Y CB 1.075 39.578 38.460 0.072 0.000 1.249 9 Y HN 0.518 nan 8.280 nan 0.000 0.468 10 R N 1.806 122.401 120.500 0.158 0.000 2.536 10 R HA 0.559 4.904 4.340 0.008 0.000 0.279 10 R C -1.161 175.230 176.300 0.151 0.000 1.001 10 R CA -0.950 55.217 56.100 0.112 0.000 1.027 10 R CB 1.519 31.898 30.300 0.131 0.000 1.096 10 R HN 0.872 nan 8.270 nan 0.000 0.502 11 Q N 1.028 120.922 119.800 0.157 0.000 2.468 11 Q HA 0.089 4.434 4.340 0.008 0.000 0.263 11 Q C -1.850 174.279 176.000 0.214 0.000 0.979 11 Q CA -0.464 55.445 55.803 0.177 0.000 0.932 11 Q CB 2.204 31.039 28.738 0.162 0.000 1.462 11 Q HN 0.630 nan 8.270 nan 0.000 0.403 12 E N 3.991 124.293 120.200 0.170 0.000 2.200 12 E HA 0.501 4.856 4.350 0.008 0.000 0.283 12 E C -1.465 175.231 176.600 0.159 0.000 1.015 12 E CA -0.281 56.226 56.400 0.177 0.000 0.819 12 E CB 0.794 30.567 29.700 0.121 0.000 1.081 12 E HN 0.505 nan 8.360 nan 0.000 0.397 13 L N 5.094 126.447 121.223 0.217 0.000 2.446 13 L HA 0.326 4.671 4.340 0.008 0.000 0.268 13 L C -0.780 176.186 176.870 0.160 0.000 0.975 13 L CA -0.848 54.065 54.840 0.121 0.000 0.848 13 L CB 1.494 43.525 42.059 -0.046 0.000 1.225 13 L HN 0.675 nan 8.230 nan 0.000 0.410 14 N N 3.465 122.226 118.700 0.101 0.000 2.714 14 N HA -0.191 4.554 4.740 0.008 0.000 0.253 14 N C 0.146 175.719 175.510 0.106 0.000 1.024 14 N CA 0.638 53.743 53.050 0.093 0.000 0.726 14 N CB -0.585 37.956 38.487 0.089 0.000 0.908 14 N HN 0.601 nan 8.380 nan 0.000 0.542 15 K N -2.453 118.005 120.400 0.096 0.000 3.088 15 K HA -0.189 4.136 4.320 0.008 0.000 0.273 15 K C -0.719 175.936 176.600 0.092 0.000 1.111 15 K CA 1.291 57.626 56.287 0.081 0.000 0.803 15 K CB -1.849 30.682 32.500 0.051 0.000 1.226 15 K HN 0.561 nan 8.250 nan 0.000 0.485 16 T N 0.987 115.636 114.554 0.158 0.000 2.812 16 T HA 0.461 4.816 4.350 0.008 0.000 0.282 16 T C 0.253 175.082 174.700 0.215 0.000 0.990 16 T CA -0.750 61.439 62.100 0.148 0.000 0.960 16 T CB 1.553 70.564 68.868 0.238 0.000 0.948 16 T HN -0.024 nan 8.240 nan 0.000 0.438 17 I N 3.274 123.895 120.570 0.085 0.000 2.347 17 I HA 0.172 4.347 4.170 0.008 0.000 0.294 17 I C -0.544 175.631 176.117 0.096 0.000 1.090 17 I CA -0.805 60.572 61.300 0.128 0.000 1.314 17 I CB -0.190 37.855 38.000 0.075 0.000 1.423 17 I HN 0.667 nan 8.210 nan 0.000 0.503 18 W N 5.988 127.365 121.300 0.128 0.000 2.387 18 W HA 0.316 4.981 4.660 0.008 0.000 0.310 18 W C 0.621 177.189 176.519 0.082 0.000 1.181 18 W CA -0.397 57.062 57.345 0.192 0.000 1.333 18 W CB 0.517 30.056 29.460 0.133 0.000 1.286 18 W HN 0.374 nan 8.180 nan 0.000 0.455 19 E N 3.419 123.767 120.200 0.247 0.000 2.101 19 E HA 0.331 4.686 4.350 0.008 0.000 0.260 19 E C -0.611 176.006 176.600 0.029 0.000 0.897 19 E CA -0.503 55.969 56.400 0.121 0.000 0.744 19 E CB 1.241 31.034 29.700 0.155 0.000 1.140 19 E HN 0.360 nan 8.360 nan 0.000 0.419 20 V N 0.824 120.667 119.914 -0.118 0.000 3.001 20 V HA 0.668 4.792 4.120 0.008 0.000 0.314 20 V C -2.811 172.950 176.094 -0.556 0.000 1.099 20 V CA -3.020 59.075 62.300 -0.340 0.000 0.989 20 V CB 1.881 33.631 31.823 -0.121 0.000 1.040 20 V HN 0.300 nan 8.190 nan 0.000 0.434 21 P HA 0.190 nan 4.420 nan 0.000 0.268 21 P C 0.458 177.606 177.300 -0.253 0.000 1.208 21 P CA 0.189 62.776 63.100 -0.854 0.000 0.777 21 P CB 0.372 31.501 31.700 -0.952 0.000 0.875 22 E N 1.955 122.082 120.200 -0.122 0.000 2.209 22 E HA -0.248 4.107 4.350 0.008 0.000 0.196 22 E C 1.879 178.408 176.600 -0.118 0.000 0.993 22 E CA 0.770 57.174 56.400 0.007 0.000 0.819 22 E CB -0.268 29.381 29.700 -0.085 0.000 0.745 22 E HN 0.500 nan 8.360 nan 0.000 0.477 23 R N 0.780 121.084 120.500 -0.326 0.000 2.139 23 R HA -0.169 4.176 4.340 0.008 0.000 0.243 23 R C 0.143 176.184 176.300 -0.431 0.000 1.145 23 R CA 1.071 56.899 56.100 -0.453 0.000 0.976 23 R CB -0.679 29.212 30.300 -0.682 0.000 0.866 23 R HN 0.116 nan 8.270 nan 0.000 0.449 24 Y N 1.988 122.268 120.300 -0.034 0.000 2.350 24 Y HA 0.327 4.881 4.550 0.006 0.000 0.340 24 Y C 0.413 176.408 175.900 0.160 0.000 1.006 24 Y CA -0.581 57.535 58.100 0.027 0.000 1.166 24 Y CB 0.880 39.343 38.460 0.005 0.000 1.168 24 Y HN 0.035 nan 8.280 nan 0.000 0.502 25 Q N 1.376 121.345 119.800 0.282 0.000 2.528 25 Q HA 0.362 4.707 4.340 0.008 0.000 0.289 25 Q C -0.272 175.856 176.000 0.212 0.000 1.091 25 Q CA -0.970 54.978 55.803 0.241 0.000 0.797 25 Q CB 1.814 30.652 28.738 0.167 0.000 1.466 25 Q HN 0.727 nan 8.270 nan 0.000 0.436 26 N N -0.061 118.727 118.700 0.146 0.000 2.758 26 N HA -0.190 4.554 4.740 0.008 0.000 0.248 26 N C -0.847 174.698 175.510 0.058 0.000 1.076 26 N CA 0.393 53.497 53.050 0.089 0.000 0.696 26 N CB -1.606 36.930 38.487 0.081 0.000 0.979 26 N HN 0.386 nan 8.380 nan 0.000 0.550 27 L N 0.299 121.547 121.223 0.041 0.000 2.455 27 L HA 0.210 4.555 4.340 0.008 0.000 0.272 27 L C 0.854 177.656 176.870 -0.115 0.000 1.174 27 L CA 0.998 55.793 54.840 -0.075 0.000 0.869 27 L CB 0.952 42.915 42.059 -0.161 0.000 1.130 27 L HN 0.176 nan 8.230 nan 0.000 0.474 28 S N 4.245 119.858 115.700 -0.144 0.000 2.668 28 S HA 0.515 4.990 4.470 0.008 0.000 0.277 28 S C -2.648 171.868 174.600 -0.141 0.000 1.170 28 S CA -1.286 56.843 58.200 -0.118 0.000 0.994 28 S CB 1.466 64.635 63.200 -0.052 0.000 1.051 28 S HN 0.211 nan 8.310 nan 0.000 0.484 29 P HA 0.009 nan 4.420 nan 0.000 0.260 29 P C 0.228 177.520 177.300 -0.014 0.000 1.172 29 P CA 0.211 63.264 63.100 -0.077 0.000 0.760 29 P CB 0.576 32.256 31.700 -0.033 0.000 0.773 30 V N 2.887 122.817 119.914 0.026 0.000 2.627 30 V HA 0.396 4.521 4.120 0.008 0.000 0.239 30 V C 1.085 177.240 176.094 0.102 0.000 1.077 30 V CA 1.764 64.111 62.300 0.079 0.000 1.103 30 V CB -0.242 31.653 31.823 0.121 0.000 0.802 30 V HN 0.801 nan 8.190 nan 0.000 0.482 31 G N -0.691 108.188 108.800 0.133 0.000 2.506 31 G HA2 0.581 4.545 3.960 0.008 0.000 0.292 31 G HA3 0.581 4.545 3.960 0.008 0.000 0.292 31 G C -1.248 173.727 174.900 0.125 0.000 1.425 31 G CA 0.351 45.513 45.100 0.103 0.000 0.788 31 G HN 0.555 nan 8.290 nan 0.000 0.490 32 S N -1.793 113.951 115.700 0.073 0.000 2.656 32 S HA 0.971 5.445 4.470 0.008 0.000 0.273 32 S C -0.107 174.503 174.600 0.016 0.000 1.168 32 S CA 0.063 58.307 58.200 0.073 0.000 0.817 32 S CB 1.716 64.965 63.200 0.082 0.000 1.146 32 S HN 2.388 nan 8.310 nan 0.000 0.475 33 G N -0.710 108.094 108.800 0.006 0.000 2.634 33 G HA2 0.690 4.655 3.960 0.008 0.000 0.309 33 G HA3 0.690 4.655 3.960 0.008 0.000 0.309 33 G C 0.582 175.444 174.900 -0.063 0.000 1.299 33 G CA -0.055 45.016 45.100 -0.048 0.000 0.798 33 G HN 1.337 nan 8.290 nan 0.000 0.490 34 A N -1.057 121.677 122.820 -0.145 0.000 1.908 34 A HA 0.028 4.353 4.320 0.008 0.000 0.218 34 A C 1.855 179.415 177.584 -0.041 0.000 1.181 34 A CA 2.027 53.969 52.037 -0.158 0.000 0.627 34 A CB -0.633 18.182 19.000 -0.308 0.000 0.818 34 A HN 0.603 nan 8.150 nan 0.000 0.445 35 Y N -0.859 119.430 120.300 -0.018 0.000 2.511 35 Y HA 0.398 4.952 4.550 0.008 0.000 0.279 35 Y C 1.318 177.178 175.900 -0.068 0.000 1.157 35 Y CA -0.142 57.937 58.100 -0.034 0.000 1.300 35 Y CB -0.291 38.147 38.460 -0.037 0.000 1.052 35 Y HN 0.377 nan 8.280 nan 0.000 0.529 36 G N -1.475 107.373 108.800 0.079 0.000 2.387 36 G HA2 0.417 4.381 3.960 0.008 0.000 0.294 36 G HA3 0.417 4.381 3.960 0.008 0.000 0.294 36 G C -1.443 173.484 174.900 0.045 0.000 1.509 36 G CA -0.835 44.273 45.100 0.014 0.000 0.806 36 G HN -0.147 nan 8.290 nan 0.000 0.546 37 S N -1.039 114.690 115.700 0.048 0.000 2.503 37 S HA 0.769 5.244 4.470 0.008 0.000 0.301 37 S C -0.299 174.505 174.600 0.340 0.000 1.087 37 S CA -0.599 57.724 58.200 0.205 0.000 1.042 37 S CB 1.860 65.233 63.200 0.287 0.000 1.043 37 S HN 0.780 nan 8.310 nan 0.000 0.489 38 V N 2.158 122.262 119.914 0.316 0.000 2.540 38 V HA 0.496 4.621 4.120 0.008 0.000 0.302 38 V C -0.396 175.763 176.094 0.107 0.000 1.035 38 V CA -0.659 61.794 62.300 0.256 0.000 0.873 38 V CB 1.341 33.276 31.823 0.186 0.000 0.992 38 V HN 1.008 nan 8.190 nan 0.000 0.428 39 C N 3.235 122.502 119.300 -0.056 0.000 2.493 39 C HA 0.875 5.340 4.460 0.008 0.000 0.326 39 C C 0.790 175.706 174.990 -0.123 0.000 1.200 39 C CA -0.817 58.054 59.018 -0.244 0.000 1.739 39 C CB 1.384 28.733 27.740 -0.652 0.000 2.300 39 C HN 1.014 nan 8.230 nan 0.000 0.500 40 A N 1.654 124.420 122.820 -0.089 0.000 2.340 40 A HA 0.848 5.172 4.320 0.008 0.000 0.268 40 A C 0.043 177.607 177.584 -0.032 0.000 1.100 40 A CA 0.267 52.281 52.037 -0.038 0.000 0.803 40 A CB 0.343 19.340 19.000 -0.005 0.000 1.043 40 A HN 1.626 nan 8.150 nan 0.000 0.488 41 A N 0.383 123.221 122.820 0.029 0.000 2.581 41 A HA 0.687 5.012 4.320 0.008 0.000 0.290 41 A C -1.480 176.224 177.584 0.200 0.000 1.119 41 A CA -0.460 51.639 52.037 0.104 0.000 0.670 41 A CB 0.627 19.689 19.000 0.104 0.000 1.280 41 A HN 1.523 nan 8.150 nan 0.000 0.425 42 F N 1.180 121.183 119.950 0.088 0.000 2.444 42 F HA 0.564 5.096 4.527 0.008 0.000 0.342 42 F C -0.443 175.431 175.800 0.123 0.000 1.121 42 F CA -0.694 57.354 58.000 0.079 0.000 0.997 42 F CB 1.391 40.414 39.000 0.039 0.000 1.130 42 F HN 0.530 nan 8.300 nan 0.000 0.454 43 D N 3.850 123.960 120.400 -0.483 0.000 2.380 43 D HA 0.110 4.755 4.640 0.008 0.000 0.230 43 D C 1.205 177.013 176.300 -0.821 0.000 1.154 43 D CA 0.094 53.833 54.000 -0.434 0.000 0.859 43 D CB 1.286 41.974 40.800 -0.187 0.000 1.045 43 D HN 0.682 nan 8.370 nan 0.000 0.495 44 T N 1.431 115.669 114.554 -0.527 0.000 2.962 44 T HA -0.115 4.239 4.350 0.008 0.000 0.270 44 T C 1.513 176.072 174.700 -0.235 0.000 1.088 44 T CA 0.603 62.520 62.100 -0.305 0.000 1.127 44 T CB 0.078 68.897 68.868 -0.081 0.000 0.883 44 T HN 0.118 nan 8.240 nan 0.000 0.493 45 K N 1.780 122.020 120.400 -0.267 0.000 2.031 45 K HA 0.012 4.337 4.320 0.008 0.000 0.205 45 K C 2.702 179.210 176.600 -0.154 0.000 1.049 45 K CA 1.950 58.124 56.287 -0.187 0.000 0.939 45 K CB -1.191 31.193 32.500 -0.194 0.000 0.717 45 K HN 0.725 nan 8.250 nan 0.000 0.438 46 T N -3.558 110.884 114.554 -0.187 0.000 3.037 46 T HA 0.226 4.581 4.350 0.008 0.000 0.252 46 T C 1.332 175.946 174.700 -0.143 0.000 1.073 46 T CA 0.682 62.702 62.100 -0.134 0.000 1.091 46 T CB 0.233 69.032 68.868 -0.115 0.000 0.935 46 T HN 0.306 nan 8.240 nan 0.000 0.488 47 G N 1.339 109.968 108.800 -0.285 0.000 2.136 47 G HA2 -0.188 3.777 3.960 0.008 0.000 0.242 47 G HA3 -0.188 3.777 3.960 0.008 0.000 0.242 47 G C -0.171 174.632 174.900 -0.161 0.000 0.989 47 G CA 0.183 45.136 45.100 -0.245 0.000 0.682 47 G HN 0.631 nan 8.290 nan 0.000 0.522 48 L N 0.146 121.217 121.223 -0.253 0.000 2.309 48 L HA 0.561 4.906 4.340 0.008 0.000 0.282 48 L C 1.102 177.932 176.870 -0.066 0.000 1.036 48 L CA -1.097 53.693 54.840 -0.083 0.000 0.806 48 L CB 1.181 43.182 42.059 -0.096 0.000 1.220 48 L HN 0.098 nan 8.230 nan 0.000 0.429 49 R N 2.230 122.788 120.500 0.098 0.000 2.401 49 R HA 0.403 4.748 4.340 0.008 0.000 0.299 49 R C -0.659 175.675 176.300 0.056 0.000 1.064 49 R CA -0.284 55.900 56.100 0.139 0.000 1.000 49 R CB 0.786 31.176 30.300 0.149 0.000 0.973 49 R HN 0.471 nan 8.270 nan 0.000 0.438 50 V N -1.001 118.937 119.914 0.039 0.000 3.040 50 V HA 0.886 5.011 4.120 0.008 0.000 0.312 50 V C -0.562 175.519 176.094 -0.023 0.000 1.115 50 V CA -1.292 61.001 62.300 -0.012 0.000 0.998 50 V CB 2.069 33.873 31.823 -0.032 0.000 1.042 50 V HN 0.788 nan 8.190 nan 0.000 0.433 51 A N 2.105 124.894 122.820 -0.052 0.000 2.304 51 A HA 0.860 5.185 4.320 0.008 0.000 0.323 51 A C -0.611 176.931 177.584 -0.070 0.000 1.195 51 A CA -0.665 51.333 52.037 -0.065 0.000 0.826 51 A CB 1.387 20.325 19.000 -0.103 0.000 1.184 51 A HN 1.375 nan 8.150 nan 0.000 0.496 52 V N 2.965 122.862 119.914 -0.028 0.000 2.409 52 V HA 0.394 4.518 4.120 0.008 0.000 0.291 52 V C 0.058 176.273 176.094 0.201 0.000 1.020 52 V CA -0.606 61.724 62.300 0.049 0.000 0.848 52 V CB 1.425 33.323 31.823 0.125 0.000 0.990 52 V HN 0.915 nan 8.190 nan 0.000 0.430 53 K N 4.561 125.021 120.400 0.099 0.000 2.265 53 K HA 0.461 4.786 4.320 0.008 0.000 0.267 53 K C -0.381 176.162 176.600 -0.096 0.000 0.994 53 K CA -0.652 55.681 56.287 0.076 0.000 0.860 53 K CB 1.084 33.573 32.500 -0.018 0.000 1.099 53 K HN 0.623 nan 8.250 nan 0.000 0.448 54 K N 6.289 126.540 120.400 -0.249 0.000 2.253 54 K HA 0.224 4.549 4.320 0.008 0.000 0.277 54 K C -0.578 175.699 176.600 -0.539 0.000 1.053 54 K CA -0.541 55.254 56.287 -0.820 0.000 0.892 54 K CB 0.587 32.206 32.500 -1.468 0.000 1.102 54 K HN 0.621 nan 8.250 nan 0.000 0.469 55 L N 3.122 124.035 121.223 -0.516 0.000 2.416 55 L HA 0.116 4.461 4.340 0.008 0.000 0.272 55 L C 0.045 176.703 176.870 -0.353 0.000 1.161 55 L CA -0.228 54.402 54.840 -0.351 0.000 0.845 55 L CB 1.329 43.182 42.059 -0.343 0.000 1.119 55 L HN 0.658 nan 8.230 nan 0.000 0.464 56 S N 3.648 119.219 115.700 -0.216 0.000 2.410 56 S HA 0.342 4.816 4.470 0.008 0.000 0.304 56 S C -0.070 174.425 174.600 -0.174 0.000 1.095 56 S CA -0.781 57.310 58.200 -0.180 0.000 1.089 56 S CB 0.738 63.886 63.200 -0.086 0.000 0.968 56 S HN 0.608 nan 8.310 nan 0.000 0.480 57 R N 1.052 121.412 120.500 -0.233 0.000 3.146 57 R HA -0.117 4.228 4.340 0.008 0.000 0.250 57 R C -2.216 173.897 176.300 -0.311 0.000 0.912 57 R CA 0.248 56.201 56.100 -0.245 0.000 0.633 57 R CB -1.517 28.654 30.300 -0.216 0.000 1.180 57 R HN 0.502 nan 8.270 nan 0.000 0.464 58 P HA -0.102 nan 4.420 nan 0.000 0.233 58 P C 0.178 177.020 177.300 -0.763 0.000 1.167 58 P CA 1.157 63.813 63.100 -0.740 0.000 0.770 58 P CB 0.198 31.191 31.700 -1.178 0.000 0.837 59 F N -0.437 119.451 119.950 -0.104 0.000 2.815 59 F HA 0.247 4.779 4.527 0.008 0.000 0.335 59 F C 1.919 177.673 175.800 -0.076 0.000 1.179 59 F CA -0.751 57.209 58.000 -0.066 0.000 1.204 59 F CB -0.621 38.315 39.000 -0.107 0.000 1.050 59 F HN -0.111 nan 8.300 nan 0.000 0.510 60 Q N 0.152 119.924 119.800 -0.046 0.000 2.311 60 Q HA 0.101 4.446 4.340 0.008 0.000 0.203 60 Q C 0.626 176.597 176.000 -0.049 0.000 0.954 60 Q CA 1.029 56.759 55.803 -0.122 0.000 0.885 60 Q CB 0.213 28.758 28.738 -0.322 0.000 0.963 60 Q HN 0.312 nan 8.270 nan 0.000 0.471 61 S N -1.718 114.013 115.700 0.052 0.000 2.705 61 S HA 0.400 4.874 4.470 0.008 0.000 0.280 61 S C 0.567 175.287 174.600 0.200 0.000 1.174 61 S CA -0.908 57.381 58.200 0.150 0.000 0.823 61 S CB 0.325 63.664 63.200 0.231 0.000 1.162 61 S HN 0.122 nan 8.310 nan 0.000 0.487 62 I N 0.527 121.206 120.570 0.183 0.000 2.179 62 I HA -0.129 4.045 4.170 0.008 0.000 0.242 62 I C 1.946 178.115 176.117 0.087 0.000 1.088 62 I CA 1.315 62.738 61.300 0.204 0.000 1.357 62 I CB -0.476 37.651 38.000 0.212 0.000 1.051 62 I HN 0.554 nan 8.210 nan 0.000 0.409 63 I N 0.296 120.907 120.570 0.068 0.000 2.163 63 I HA -0.321 3.854 4.170 0.008 0.000 0.243 63 I C 2.454 178.487 176.117 -0.141 0.000 1.085 63 I CA 1.867 63.133 61.300 -0.057 0.000 1.347 63 I CB -0.806 37.155 38.000 -0.066 0.000 1.044 63 I HN 0.180 nan 8.210 nan 0.000 0.408 64 H N 0.004 119.034 119.070 -0.067 0.000 2.326 64 H HA -0.018 4.543 4.556 0.008 0.000 0.301 64 H C 2.267 177.520 175.328 -0.125 0.000 1.081 64 H CA 1.523 57.502 56.048 -0.116 0.000 1.334 64 H CB -0.476 29.242 29.762 -0.073 0.000 1.385 64 H HN 0.325 nan 8.280 nan 0.000 0.504 65 A N 0.954 123.852 122.820 0.130 0.000 1.908 65 A HA -0.258 4.067 4.320 0.008 0.000 0.218 65 A C 2.174 179.725 177.584 -0.055 0.000 1.181 65 A CA 2.020 54.199 52.037 0.236 0.000 0.627 65 A CB -0.488 18.753 19.000 0.402 0.000 0.818 65 A HN 0.395 nan 8.150 nan 0.000 0.445 66 K N -0.592 119.522 120.400 -0.478 0.000 2.057 66 K HA -0.144 4.181 4.320 0.008 0.000 0.206 66 K C 2.329 178.709 176.600 -0.366 0.000 1.050 66 K CA 1.313 57.060 56.287 -0.900 0.000 0.935 66 K CB -0.177 31.696 32.500 -1.046 0.000 0.715 66 K HN 0.437 nan 8.250 nan 0.000 0.439 67 R N 0.163 120.498 120.500 -0.275 0.000 2.091 67 R HA -0.122 4.223 4.340 0.008 0.000 0.238 67 R C 1.814 178.001 176.300 -0.188 0.000 1.136 67 R CA 2.288 58.243 56.100 -0.241 0.000 0.959 67 R CB -0.445 29.632 30.300 -0.371 0.000 0.856 67 R HN 0.167 nan 8.270 nan 0.000 0.437 68 T N 0.029 114.495 114.554 -0.147 0.000 2.708 68 T HA -0.204 4.151 4.350 0.008 0.000 0.266 68 T C 1.373 176.083 174.700 0.018 0.000 1.037 68 T CA 1.579 63.622 62.100 -0.095 0.000 1.146 68 T CB -0.592 68.189 68.868 -0.145 0.000 0.865 68 T HN 0.369 nan 8.240 nan 0.000 0.435 69 Y N 2.342 122.627 120.300 -0.023 0.000 2.097 69 Y HA -0.190 4.365 4.550 0.008 0.000 0.282 69 Y C 2.728 178.534 175.900 -0.157 0.000 1.152 69 Y CA 1.652 59.729 58.100 -0.037 0.000 1.136 69 Y CB -0.358 38.099 38.460 -0.005 0.000 0.975 69 Y HN -0.025 nan 8.280 nan 0.000 0.498 70 R N 0.416 120.803 120.500 -0.187 0.000 2.096 70 R HA -0.273 4.072 4.340 0.008 0.000 0.240 70 R C 2.382 178.623 176.300 -0.098 0.000 1.139 70 R CA 2.226 58.271 56.100 -0.091 0.000 0.952 70 R CB -0.528 29.844 30.300 0.120 0.000 0.854 70 R HN 0.594 nan 8.270 nan 0.000 0.436 71 E N -0.126 120.008 120.200 -0.109 0.000 2.110 71 E HA -0.202 4.152 4.350 0.008 0.000 0.193 71 E C 1.927 178.465 176.600 -0.103 0.000 0.988 71 E CA 0.977 57.318 56.400 -0.099 0.000 0.804 71 E CB -0.008 29.622 29.700 -0.117 0.000 0.745 71 E HN 0.236 nan 8.360 nan 0.000 0.458 72 L N 1.144 122.287 121.223 -0.133 0.000 2.109 72 L HA -0.082 4.263 4.340 0.008 0.000 0.207 72 L C 2.195 178.995 176.870 -0.116 0.000 1.086 72 L CA 1.482 56.254 54.840 -0.112 0.000 0.760 72 L CB -0.495 41.514 42.059 -0.084 0.000 0.910 72 L HN 0.031 nan 8.230 nan 0.000 0.437 73 R N -0.807 119.549 120.500 -0.241 0.000 2.073 73 R HA -0.114 4.231 4.340 0.008 0.000 0.234 73 R C 2.107 178.433 176.300 0.044 0.000 1.134 73 R CA 1.057 57.066 56.100 -0.151 0.000 0.952 73 R CB -1.195 28.866 30.300 -0.399 0.000 0.850 73 R HN 0.270 nan 8.270 nan 0.000 0.433 74 L N 0.811 122.036 121.223 0.003 0.000 1.971 74 L HA -0.191 4.154 4.340 0.008 0.000 0.215 74 L C 2.359 179.214 176.870 -0.025 0.000 1.072 74 L CA 1.565 56.361 54.840 -0.073 0.000 0.758 74 L CB -1.235 40.793 42.059 -0.052 0.000 0.889 74 L HN 0.099 nan 8.230 nan 0.000 0.433 75 L N -0.483 120.734 121.223 -0.011 0.000 2.079 75 L HA -0.230 4.114 4.340 0.008 0.000 0.210 75 L C 2.477 179.393 176.870 0.077 0.000 1.081 75 L CA 1.636 56.486 54.840 0.017 0.000 0.752 75 L CB -1.026 41.020 42.059 -0.021 0.000 0.896 75 L HN 0.319 nan 8.230 nan 0.000 0.433 76 K N -1.874 118.587 120.400 0.102 0.000 2.211 76 K HA -0.185 4.140 4.320 0.008 0.000 0.203 76 K C 2.059 178.752 176.600 0.154 0.000 1.050 76 K CA 1.021 57.415 56.287 0.178 0.000 0.945 76 K CB -0.129 32.485 32.500 0.190 0.000 0.732 76 K HN 0.348 nan 8.250 nan 0.000 0.451 77 H N 0.187 119.284 119.070 0.044 0.000 2.403 77 H HA 0.106 4.667 4.556 0.008 0.000 0.298 77 H C 0.269 175.645 175.328 0.080 0.000 1.059 77 H CA 0.639 56.705 56.048 0.030 0.000 1.363 77 H CB 0.300 29.990 29.762 -0.120 0.000 1.410 77 H HN -0.086 nan 8.280 nan 0.000 0.528 78 M N 2.056 121.726 119.600 0.117 0.000 2.292 78 M HA 0.119 4.604 4.480 0.008 0.000 0.342 78 M C -0.724 175.623 176.300 0.079 0.000 1.538 78 M CA 0.872 56.281 55.300 0.181 0.000 1.163 78 M CB 0.382 33.058 32.600 0.128 0.000 1.823 78 M HN 0.198 nan 8.290 nan 0.000 0.462 79 K N 3.180 123.605 120.400 0.042 0.000 2.701 79 K HA 0.417 4.742 4.320 0.008 0.000 0.212 79 K C -1.301 175.126 176.600 -0.289 0.000 1.035 79 K CA -0.388 55.856 56.287 -0.072 0.000 1.048 79 K CB 1.213 33.704 32.500 -0.015 0.000 1.234 79 K HN 0.647 nan 8.250 nan 0.000 0.540 80 H N -0.312 118.468 119.070 -0.483 0.000 3.038 80 H HA 0.118 4.679 4.556 0.008 0.000 0.362 80 H C 0.264 175.390 175.328 -0.337 0.000 1.167 80 H CA -0.436 55.247 56.048 -0.609 0.000 1.197 80 H CB 1.630 30.645 29.762 -1.245 0.000 1.840 80 H HN 0.372 nan 8.280 nan 0.000 0.540 81 E N 1.899 121.714 120.200 -0.642 0.000 2.171 81 E HA -0.190 4.165 4.350 0.008 0.000 0.197 81 E C 0.157 176.617 176.600 -0.233 0.000 0.997 81 E CA 1.585 57.755 56.400 -0.383 0.000 0.810 81 E CB 0.075 29.552 29.700 -0.371 0.000 0.738 81 E HN 0.559 nan 8.360 nan 0.000 0.467 82 N N -0.723 117.914 118.700 -0.106 0.000 2.273 82 N HA 0.110 4.855 4.740 0.008 0.000 0.231 82 N C -1.435 174.076 175.510 0.001 0.000 1.134 82 N CA -0.282 52.755 53.050 -0.021 0.000 0.856 82 N CB 1.428 39.920 38.487 0.008 0.000 1.068 82 N HN -0.166 nan 8.380 nan 0.000 0.510 83 V N 0.869 120.776 119.914 -0.011 0.000 2.841 83 V HA 0.283 4.408 4.120 0.008 0.000 0.310 83 V C 0.038 176.110 176.094 -0.037 0.000 1.090 83 V CA -1.186 61.100 62.300 -0.022 0.000 0.930 83 V CB 2.641 34.450 31.823 -0.022 0.000 1.014 83 V HN 0.128 nan 8.190 nan 0.000 0.425 84 I N 2.880 123.440 120.570 -0.016 0.000 2.906 84 I HA 0.198 4.373 4.170 0.008 0.000 0.302 84 I C 0.926 177.055 176.117 0.020 0.000 1.220 84 I CA 0.959 62.256 61.300 -0.004 0.000 1.441 84 I CB 0.345 38.345 38.000 0.001 0.000 1.336 84 I HN 0.831 nan 8.210 nan 0.000 0.565 85 G N 7.922 116.758 108.800 0.059 0.000 2.367 85 G HA2 0.399 4.364 3.960 0.008 0.000 0.314 85 G HA3 0.399 4.364 3.960 0.008 0.000 0.314 85 G C -0.767 174.213 174.900 0.133 0.000 1.130 85 G CA -0.767 44.398 45.100 0.109 0.000 0.864 85 G HN 0.626 nan 8.290 nan 0.000 0.486 86 L N 3.602 124.901 121.223 0.127 0.000 2.283 86 L HA 0.275 4.620 4.340 0.008 0.000 0.287 86 L C 0.872 177.859 176.870 0.195 0.000 1.073 86 L CA -0.476 54.424 54.840 0.100 0.000 0.822 86 L CB 1.013 43.126 42.059 0.088 0.000 1.186 86 L HN 0.573 nan 8.230 nan 0.000 0.436 87 L N 3.323 124.602 121.223 0.093 0.000 2.209 87 L HA 0.133 4.478 4.340 0.008 0.000 0.207 87 L C 0.041 177.061 176.870 0.250 0.000 1.094 87 L CA 0.629 55.551 54.840 0.136 0.000 0.790 87 L CB 0.037 42.074 42.059 -0.036 0.000 0.932 87 L HN 0.633 nan 8.230 nan 0.000 0.447 88 D N -2.044 118.344 120.400 -0.020 0.000 2.685 88 D HA 0.371 5.016 4.640 0.008 0.000 0.236 88 D C -1.679 174.340 176.300 -0.467 0.000 1.233 88 D CA -0.174 53.740 54.000 -0.144 0.000 0.760 88 D CB 2.487 43.443 40.800 0.261 0.000 1.410 88 D HN -0.286 nan 8.370 nan 0.000 0.439 89 V N 3.019 122.590 119.914 -0.573 0.000 2.841 89 V HA 0.940 5.065 4.120 0.008 0.000 0.310 89 V C -1.605 174.478 176.094 -0.018 0.000 1.090 89 V CA -0.459 61.621 62.300 -0.366 0.000 0.930 89 V CB 1.399 32.958 31.823 -0.439 0.000 1.014 89 V HN 0.547 nan 8.190 nan 0.000 0.425 90 F N 2.245 122.240 119.950 0.074 0.000 2.686 90 F HA 0.869 5.400 4.527 0.008 0.000 0.311 90 F C -0.848 175.144 175.800 0.320 0.000 1.128 90 F CA -0.610 57.500 58.000 0.184 0.000 0.946 90 F CB 1.698 40.807 39.000 0.181 0.000 1.336 90 F HN 0.569 nan 8.300 nan 0.000 0.457 91 T N 1.677 116.603 114.554 0.621 0.000 2.916 91 T HA 0.500 4.855 4.350 0.008 0.000 0.298 91 T C -2.247 172.684 174.700 0.384 0.000 1.031 91 T CA -1.854 60.591 62.100 0.575 0.000 0.993 91 T CB 1.884 71.110 68.868 0.597 0.000 1.045 91 T HN 0.550 nan 8.240 nan 0.000 0.454 92 P HA 0.134 nan 4.420 nan 0.000 0.221 92 P C 0.455 177.530 177.300 -0.375 0.000 1.150 92 P CA 0.232 62.949 63.100 -0.639 0.000 0.800 92 P CB -0.208 31.265 31.700 -0.380 0.000 0.787 93 A N 0.866 123.681 122.820 -0.008 0.000 2.511 93 A HA 0.039 4.363 4.320 0.008 0.000 0.242 93 A C 1.206 178.827 177.584 0.061 0.000 1.069 93 A CA -0.027 52.043 52.037 0.056 0.000 0.763 93 A CB -0.126 18.997 19.000 0.205 0.000 1.001 93 A HN 0.088 nan 8.150 nan 0.000 0.498 94 R N 0.850 121.366 120.500 0.027 0.000 2.310 94 R HA 0.126 4.471 4.340 0.008 0.000 0.202 94 R C 0.363 176.714 176.300 0.085 0.000 0.933 94 R CA 0.823 56.955 56.100 0.053 0.000 1.054 94 R CB -0.036 30.278 30.300 0.023 0.000 0.985 94 R HN 0.853 nan 8.270 nan 0.000 0.489 95 S N -1.709 114.018 115.700 0.045 0.000 2.643 95 S HA 0.151 4.625 4.470 0.008 0.000 0.270 95 S C 0.158 174.570 174.600 -0.313 0.000 1.166 95 S CA -0.956 57.220 58.200 -0.040 0.000 0.815 95 S CB 0.889 64.068 63.200 -0.035 0.000 1.139 95 S HN -0.002 nan 8.310 nan 0.000 0.472 96 L N 1.441 122.337 121.223 -0.546 0.000 2.109 96 L HA 0.190 4.535 4.340 0.008 0.000 0.207 96 L C 2.259 178.983 176.870 -0.244 0.000 1.086 96 L CA 2.073 56.508 54.840 -0.674 0.000 0.760 96 L CB -1.100 40.644 42.059 -0.525 0.000 0.910 96 L HN 0.883 nan 8.230 nan 0.000 0.437 97 E N 0.586 120.692 120.200 -0.156 0.000 2.086 97 E HA -0.295 4.060 4.350 0.008 0.000 0.205 97 E C 1.639 178.204 176.600 -0.058 0.000 1.027 97 E CA 2.078 58.427 56.400 -0.085 0.000 0.830 97 E CB -0.323 29.342 29.700 -0.058 0.000 0.751 97 E HN 0.800 nan 8.360 nan 0.000 0.456 98 E N -0.136 120.040 120.200 -0.041 0.000 2.451 98 E HA 0.026 4.381 4.350 0.008 0.000 0.194 98 E C -0.375 176.260 176.600 0.058 0.000 1.027 98 E CA -0.464 55.934 56.400 -0.004 0.000 0.914 98 E CB -0.133 29.566 29.700 -0.001 0.000 1.054 98 E HN 0.108 nan 8.360 nan 0.000 0.461 99 F N 2.588 122.454 119.950 -0.140 0.000 2.462 99 F HA 0.271 4.803 4.527 0.008 0.000 0.360 99 F C 0.075 175.902 175.800 0.045 0.000 1.134 99 F CA -0.687 57.269 58.000 -0.074 0.000 1.148 99 F CB 0.366 39.214 39.000 -0.253 0.000 1.147 99 F HN -0.076 nan 8.300 nan 0.000 0.550 100 N N 3.327 121.916 118.700 -0.185 0.000 2.067 100 N HA 0.058 4.803 4.740 0.008 0.000 0.227 100 N C -1.042 174.355 175.510 -0.188 0.000 1.348 100 N CA 0.014 52.962 53.050 -0.170 0.000 0.879 100 N CB 0.622 39.070 38.487 -0.064 0.000 1.109 100 N HN 0.511 nan 8.380 nan 0.000 0.501 101 D N 0.767 121.097 120.400 -0.117 0.000 2.619 101 D HA 0.428 5.073 4.640 0.008 0.000 0.241 101 D C -0.636 175.713 176.300 0.081 0.000 1.087 101 D CA -0.276 53.669 54.000 -0.093 0.000 0.851 101 D CB 3.490 44.307 40.800 0.029 0.000 1.474 101 D HN -0.318 nan 8.370 nan 0.000 0.478 102 V N 2.188 122.031 119.914 -0.117 0.000 2.656 102 V HA 0.422 4.547 4.120 0.008 0.000 0.307 102 V C -1.232 174.686 176.094 -0.293 0.000 1.051 102 V CA -0.752 61.546 62.300 -0.002 0.000 0.893 102 V CB 1.598 33.431 31.823 0.016 0.000 0.999 102 V HN 0.420 nan 8.190 nan 0.000 0.426 103 Y N 3.974 124.006 120.300 -0.448 0.000 2.409 103 Y HA 0.779 5.334 4.550 0.007 0.000 0.343 103 Y C -0.233 175.291 175.900 -0.626 0.000 0.973 103 Y CA -0.914 56.796 58.100 -0.650 0.000 1.064 103 Y CB 1.901 39.643 38.460 -1.197 0.000 1.207 103 Y HN 0.433 nan 8.280 nan 0.000 0.452 104 L N 3.289 124.350 121.223 -0.270 0.000 2.362 104 L HA 0.865 5.210 4.340 0.008 0.000 0.271 104 L C -1.045 175.720 176.870 -0.176 0.000 1.002 104 L CA -1.169 53.529 54.840 -0.236 0.000 0.818 104 L CB 1.971 43.923 42.059 -0.179 0.000 1.298 104 L HN 0.274 nan 8.230 nan 0.000 0.420 105 V N 0.816 120.632 119.914 -0.164 0.000 2.588 105 V HA 0.715 4.840 4.120 0.008 0.000 0.304 105 V C -0.167 175.872 176.094 -0.091 0.000 1.042 105 V CA -0.309 61.916 62.300 -0.125 0.000 0.877 105 V CB 1.950 33.703 31.823 -0.116 0.000 0.996 105 V HN 0.886 nan 8.190 nan 0.000 0.425 106 T N 1.682 116.187 114.554 -0.082 0.000 2.778 106 T HA 0.534 4.889 4.350 0.008 0.000 0.293 106 T C -0.876 173.787 174.700 -0.062 0.000 1.144 106 T CA -0.559 61.511 62.100 -0.049 0.000 1.010 106 T CB 1.126 70.002 68.868 0.013 0.000 1.325 106 T HN 0.774 nan 8.240 nan 0.000 0.515 107 H N 0.790 119.844 119.070 -0.027 0.000 2.815 107 H HA 0.405 4.966 4.556 0.008 0.000 0.350 107 H C -0.000 175.302 175.328 -0.042 0.000 1.080 107 H CA -0.292 55.743 56.048 -0.022 0.000 1.433 107 H CB 0.199 29.950 29.762 -0.019 0.000 1.432 107 H HN 0.261 nan 8.280 nan 0.000 0.592 108 L N 3.149 124.423 121.223 0.085 0.000 2.367 108 L HA 0.082 4.427 4.340 0.008 0.000 0.275 108 L C 1.098 177.980 176.870 0.021 0.000 1.129 108 L CA 0.235 55.089 54.840 0.023 0.000 0.839 108 L CB 0.507 42.584 42.059 0.031 0.000 1.133 108 L HN 0.861 nan 8.230 nan 0.000 0.453 109 M N 4.280 123.865 119.600 -0.024 0.000 2.100 109 M HA 0.196 4.681 4.480 0.008 0.000 0.254 109 M C 1.464 177.770 176.300 0.011 0.000 1.106 109 M CA 1.942 57.232 55.300 -0.018 0.000 1.127 109 M CB -0.461 32.109 32.600 -0.051 0.000 1.263 109 M HN 0.862 nan 8.290 nan 0.000 0.427 110 G N 0.165 108.980 108.800 0.025 0.000 4.026 110 G HA2 -0.332 3.633 3.960 0.008 0.000 0.309 110 G HA3 -0.332 3.633 3.960 0.008 0.000 0.309 110 G C 0.184 175.113 174.900 0.048 0.000 1.411 110 G CA 0.454 45.580 45.100 0.043 0.000 1.037 110 G HN 1.183 nan 8.290 nan 0.000 0.687 111 A N 2.059 124.897 122.820 0.029 0.000 2.409 111 A HA 0.575 4.899 4.320 0.008 0.000 0.267 111 A C 0.338 177.933 177.584 0.018 0.000 1.127 111 A CA 1.050 53.100 52.037 0.022 0.000 0.795 111 A CB 0.108 19.113 19.000 0.008 0.000 1.061 111 A HN 1.257 nan 8.150 nan 0.000 0.502 112 D N 1.532 121.947 120.400 0.024 0.000 2.494 112 D HA 0.287 4.932 4.640 0.008 0.000 0.259 112 D C 0.687 176.981 176.300 -0.011 0.000 1.109 112 D CA -0.800 53.208 54.000 0.013 0.000 1.040 112 D CB 0.384 41.209 40.800 0.041 0.000 1.175 112 D HN 0.185 nan 8.370 nan 0.000 0.584 113 L N 0.320 121.526 121.223 -0.030 0.000 2.217 113 L HA 0.001 4.346 4.340 0.008 0.000 0.211 113 L C 1.576 178.432 176.870 -0.025 0.000 1.107 113 L CA 1.499 56.315 54.840 -0.040 0.000 0.783 113 L CB -1.261 40.759 42.059 -0.065 0.000 0.919 113 L HN 0.466 nan 8.230 nan 0.000 0.442 114 N N 0.749 119.436 118.700 -0.021 0.000 2.036 114 N HA -0.275 4.470 4.740 0.008 0.000 0.195 114 N C 1.562 177.079 175.510 0.011 0.000 1.037 114 N CA 2.085 55.135 53.050 0.001 0.000 0.855 114 N CB -0.411 38.075 38.487 -0.000 0.000 1.033 114 N HN 0.694 nan 8.380 nan 0.000 0.423 115 N N -0.082 118.623 118.700 0.008 0.000 2.331 115 N HA -0.119 4.626 4.740 0.008 0.000 0.180 115 N C 1.428 176.940 175.510 0.003 0.000 1.019 115 N CA 0.664 53.720 53.050 0.010 0.000 0.881 115 N CB -0.115 38.380 38.487 0.013 0.000 0.972 115 N HN 0.168 nan 8.380 nan 0.000 0.435 116 I N 1.733 122.299 120.570 -0.007 0.000 2.127 116 I HA -0.181 3.993 4.170 0.008 0.000 0.241 116 I C 2.614 178.727 176.117 -0.007 0.000 1.075 116 I CA 0.761 62.050 61.300 -0.019 0.000 1.334 116 I CB -1.268 36.711 38.000 -0.035 0.000 1.040 116 I HN 0.062 nan 8.210 nan 0.000 0.405 117 V N 0.967 120.883 119.914 0.003 0.000 2.407 117 V HA -0.237 3.888 4.120 0.008 0.000 0.248 117 V C 2.621 178.730 176.094 0.024 0.000 1.055 117 V CA 1.763 64.074 62.300 0.018 0.000 1.049 117 V CB -0.326 31.514 31.823 0.028 0.000 0.662 117 V HN 0.322 nan 8.190 nan 0.000 0.455 118 K N -0.486 119.929 120.400 0.025 0.000 2.103 118 K HA 0.033 4.358 4.320 0.008 0.000 0.204 118 K C 1.509 178.123 176.600 0.023 0.000 1.052 118 K CA 1.514 57.817 56.287 0.028 0.000 0.945 118 K CB -0.539 31.980 32.500 0.032 0.000 0.722 118 K HN 0.531 nan 8.250 nan 0.000 0.443 119 C N 1.864 121.174 119.300 0.016 0.000 2.548 119 C HA 0.274 4.738 4.460 0.008 0.000 0.297 119 C C -0.185 174.811 174.990 0.010 0.000 1.422 119 C CA -0.646 58.381 59.018 0.014 0.000 1.785 119 C CB -0.987 26.761 27.740 0.012 0.000 2.593 119 C HN 0.402 nan 8.230 nan 0.000 0.545 120 Q N -1.259 118.548 119.800 0.012 0.000 2.647 120 Q HA 0.350 4.695 4.340 0.008 0.000 0.283 120 Q C -1.778 174.240 176.000 0.029 0.000 0.943 120 Q CA -0.847 54.965 55.803 0.013 0.000 0.813 120 Q CB 1.119 29.852 28.738 -0.008 0.000 1.477 120 Q HN 0.199 nan 8.270 nan 0.000 0.393 121 K N 1.536 121.965 120.400 0.049 0.000 2.339 121 K HA 0.399 4.724 4.320 0.008 0.000 0.286 121 K C -0.725 175.954 176.600 0.133 0.000 1.050 121 K CA -0.041 56.293 56.287 0.079 0.000 0.956 121 K CB 0.548 33.098 32.500 0.083 0.000 0.990 121 K HN 0.379 nan 8.250 nan 0.000 0.475 122 L N 3.123 124.435 121.223 0.148 0.000 2.305 122 L HA 0.269 4.614 4.340 0.008 0.000 0.284 122 L C 0.660 177.668 176.870 0.230 0.000 1.013 122 L CA -0.818 54.174 54.840 0.253 0.000 0.819 122 L CB 1.622 43.774 42.059 0.156 0.000 1.227 122 L HN 0.734 nan 8.230 nan 0.000 0.417 123 T N -2.817 111.894 114.554 0.261 0.000 2.874 123 T HA 0.113 4.468 4.350 0.008 0.000 0.281 123 T C 0.727 175.475 174.700 0.080 0.000 0.994 123 T CA -0.608 61.526 62.100 0.058 0.000 1.015 123 T CB 1.729 70.519 68.868 -0.129 0.000 1.028 123 T HN 0.584 nan 8.240 nan 0.000 0.523 124 D N 0.052 120.493 120.400 0.068 0.000 2.158 124 D HA -0.167 4.477 4.640 0.008 0.000 0.197 124 D C 1.600 177.960 176.300 0.100 0.000 0.995 124 D CA 1.419 55.492 54.000 0.120 0.000 0.846 124 D CB -0.325 40.545 40.800 0.117 0.000 0.941 124 D HN 0.751 nan 8.370 nan 0.000 0.456 125 D N -1.433 118.978 120.400 0.018 0.000 2.178 125 D HA -0.136 4.508 4.640 0.008 0.000 0.201 125 D C 1.675 178.066 176.300 0.153 0.000 0.980 125 D CA 1.145 55.167 54.000 0.037 0.000 0.842 125 D CB -0.182 40.583 40.800 -0.058 0.000 0.948 125 D HN 0.480 nan 8.370 nan 0.000 0.472 126 H N -1.363 117.801 119.070 0.157 0.000 2.395 126 H HA 0.004 4.565 4.556 0.008 0.000 0.299 126 H C 2.191 177.625 175.328 0.175 0.000 1.070 126 H CA 0.908 57.061 56.048 0.174 0.000 1.356 126 H CB 0.423 30.258 29.762 0.123 0.000 1.401 126 H HN 0.003 nan 8.280 nan 0.000 0.524 127 V N 0.911 120.998 119.914 0.288 0.000 2.307 127 V HA -0.256 3.869 4.120 0.008 0.000 0.245 127 V C 2.163 178.437 176.094 0.300 0.000 1.045 127 V CA 1.638 64.092 62.300 0.255 0.000 1.024 127 V CB -0.479 31.496 31.823 0.255 0.000 0.651 127 V HN 0.459 nan 8.190 nan 0.000 0.449 128 Q N -0.974 118.969 119.800 0.240 0.000 2.062 128 Q HA -0.284 4.061 4.340 0.008 0.000 0.209 128 Q C 2.215 178.440 176.000 0.375 0.000 0.996 128 Q CA 2.427 58.354 55.803 0.207 0.000 0.859 128 Q CB -0.370 28.402 28.738 0.056 0.000 0.920 128 Q HN 0.608 nan 8.270 nan 0.000 0.415 129 F N 0.909 120.871 119.950 0.021 0.000 2.134 129 F HA -0.142 4.389 4.527 0.008 0.000 0.299 129 F C 1.818 177.552 175.800 -0.110 0.000 1.097 129 F CA 1.169 58.967 58.000 -0.338 0.000 1.264 129 F CB -0.300 38.506 39.000 -0.324 0.000 1.001 129 F HN -0.015 nan 8.300 nan 0.000 0.479 130 L N -0.540 120.633 121.223 -0.083 0.000 2.056 130 L HA -0.224 4.121 4.340 0.008 0.000 0.207 130 L C 2.357 179.150 176.870 -0.129 0.000 1.078 130 L CA 0.629 55.358 54.840 -0.185 0.000 0.749 130 L CB -0.612 41.411 42.059 -0.060 0.000 0.901 130 L HN 0.060 nan 8.230 nan 0.000 0.433 131 I N -1.048 119.545 120.570 0.038 0.000 2.439 131 I HA -0.281 3.894 4.170 0.008 0.000 0.251 131 I C 2.435 178.457 176.117 -0.157 0.000 1.139 131 I CA 1.362 62.696 61.300 0.057 0.000 1.438 131 I CB -1.316 36.866 38.000 0.304 0.000 1.085 131 I HN 0.256 nan 8.210 nan 0.000 0.427 132 Y N 2.200 122.272 120.300 -0.380 0.000 2.181 132 Y HA -0.254 4.300 4.550 0.008 0.000 0.288 132 Y C 2.628 178.279 175.900 -0.415 0.000 1.146 132 Y CA 1.873 59.554 58.100 -0.698 0.000 1.164 132 Y CB -0.234 37.919 38.460 -0.513 0.000 0.982 132 Y HN 0.225 nan 8.280 nan 0.000 0.515 133 Q N -0.216 119.324 119.800 -0.433 0.000 2.172 133 Q HA -0.077 4.268 4.340 0.008 0.000 0.200 133 Q C 2.269 178.063 176.000 -0.343 0.000 0.964 133 Q CA 1.588 57.133 55.803 -0.430 0.000 0.855 133 Q CB -0.032 28.432 28.738 -0.456 0.000 0.918 133 Q HN 0.564 nan 8.270 nan 0.000 0.444 134 I N 0.503 120.900 120.570 -0.288 0.000 2.179 134 I HA -0.297 3.878 4.170 0.008 0.000 0.242 134 I C 2.030 177.998 176.117 -0.249 0.000 1.088 134 I CA 1.181 62.345 61.300 -0.227 0.000 1.357 134 I CB -0.204 37.696 38.000 -0.166 0.000 1.051 134 I HN 0.183 nan 8.210 nan 0.000 0.409 135 L N 0.164 121.211 121.223 -0.293 0.000 2.141 135 L HA -0.161 4.184 4.340 0.008 0.000 0.209 135 L C 2.748 179.429 176.870 -0.316 0.000 1.094 135 L CA 1.078 55.752 54.840 -0.277 0.000 0.763 135 L CB -0.537 41.352 42.059 -0.284 0.000 0.908 135 L HN 0.217 nan 8.230 nan 0.000 0.437 136 R N 0.434 120.672 120.500 -0.436 0.000 2.066 136 R HA -0.125 4.219 4.340 0.008 0.000 0.232 136 R C 2.293 178.461 176.300 -0.221 0.000 1.131 136 R CA 1.488 57.392 56.100 -0.327 0.000 0.955 136 R CB -0.535 29.491 30.300 -0.457 0.000 0.851 136 R HN 0.333 nan 8.270 nan 0.000 0.432 137 G N 1.157 109.828 108.800 -0.214 0.000 2.440 137 G HA2 -0.250 3.715 3.960 0.008 0.000 0.218 137 G HA3 -0.250 3.715 3.960 0.008 0.000 0.218 137 G C 1.247 175.970 174.900 -0.296 0.000 1.154 137 G CA 0.529 45.450 45.100 -0.299 0.000 0.767 137 G HN 0.233 nan 8.290 nan 0.000 0.552 138 L N 0.610 121.658 121.223 -0.292 0.000 2.109 138 L HA 0.147 4.492 4.340 0.008 0.000 0.207 138 L C 2.667 179.280 176.870 -0.428 0.000 1.086 138 L CA 1.696 56.282 54.840 -0.424 0.000 0.760 138 L CB -0.517 41.294 42.059 -0.414 0.000 0.910 138 L HN 0.266 nan 8.230 nan 0.000 0.437 139 K N -1.570 118.691 120.400 -0.233 0.000 2.063 139 K HA -0.280 4.045 4.320 0.008 0.000 0.208 139 K C 2.316 178.873 176.600 -0.073 0.000 1.048 139 K CA 1.789 58.018 56.287 -0.097 0.000 0.928 139 K CB -0.395 32.077 32.500 -0.046 0.000 0.713 139 K HN 0.278 nan 8.250 nan 0.000 0.442 140 Y N 2.008 122.138 120.300 -0.284 0.000 2.070 140 Y HA -0.256 4.299 4.550 0.008 0.000 0.280 140 Y C 2.021 177.827 175.900 -0.156 0.000 1.148 140 Y CA 2.280 60.211 58.100 -0.281 0.000 1.125 140 Y CB -0.298 37.748 38.460 -0.689 0.000 0.975 140 Y HN 0.208 nan 8.280 nan 0.000 0.492 141 I N -2.333 118.187 120.570 -0.082 0.000 2.286 141 I HA -0.215 3.960 4.170 0.008 0.000 0.245 141 I C 2.087 178.213 176.117 0.015 0.000 1.104 141 I CA 1.899 63.162 61.300 -0.063 0.000 1.397 141 I CB -1.057 36.955 38.000 0.021 0.000 1.072 141 I HN 0.194 nan 8.210 nan 0.000 0.417 142 H N 1.350 120.397 119.070 -0.038 0.000 2.456 142 H HA -0.125 4.436 4.556 0.008 0.000 0.296 142 H C 2.559 177.868 175.328 -0.032 0.000 1.079 142 H CA 1.178 57.218 56.048 -0.014 0.000 1.322 142 H CB -0.014 29.752 29.762 0.007 0.000 1.388 142 H HN 0.604 nan 8.280 nan 0.000 0.538 143 S N 0.623 116.351 115.700 0.045 0.000 2.419 143 S HA -0.064 4.410 4.470 0.008 0.000 0.233 143 S C 2.019 176.602 174.600 -0.028 0.000 1.016 143 S CA 0.682 58.876 58.200 -0.011 0.000 0.974 143 S CB 0.017 63.178 63.200 -0.065 0.000 0.786 143 S HN 0.406 nan 8.310 nan 0.000 0.492 144 A N 1.054 123.840 122.820 -0.056 0.000 2.337 144 A HA 0.276 4.601 4.320 0.008 0.000 0.227 144 A C 0.438 178.068 177.584 0.076 0.000 1.259 144 A CA 0.236 52.272 52.037 -0.001 0.000 0.870 144 A CB -0.416 18.531 19.000 -0.089 0.000 0.927 144 A HN 0.422 nan 8.150 nan 0.000 0.497 145 D N -0.879 119.561 120.400 0.066 0.000 2.911 145 D HA -0.170 4.475 4.640 0.008 0.000 0.227 145 D C -0.234 176.128 176.300 0.103 0.000 1.164 145 D CA 1.001 55.043 54.000 0.070 0.000 0.782 145 D CB -1.510 39.319 40.800 0.048 0.000 1.094 145 D HN 0.567 nan 8.370 nan 0.000 0.425 146 I N 1.021 121.659 120.570 0.113 0.000 2.342 146 I HA 0.267 4.442 4.170 0.008 0.000 0.291 146 I C 0.929 177.155 176.117 0.180 0.000 1.010 146 I CA -0.472 60.895 61.300 0.113 0.000 1.308 146 I CB 1.057 39.072 38.000 0.023 0.000 1.400 146 I HN -0.134 nan 8.210 nan 0.000 0.488 147 I N 5.525 126.185 120.570 0.150 0.000 2.377 147 I HA 0.171 4.345 4.170 0.008 0.000 0.293 147 I C 1.167 177.376 176.117 0.153 0.000 0.987 147 I CA -0.551 60.858 61.300 0.182 0.000 1.185 147 I CB 1.537 39.627 38.000 0.150 0.000 1.341 147 I HN 0.670 nan 8.210 nan 0.000 0.455 148 H N 6.992 126.124 119.070 0.102 0.000 2.307 148 H HA 0.002 4.563 4.556 0.008 0.000 0.303 148 H C 1.057 176.380 175.328 -0.009 0.000 1.073 148 H CA 1.888 57.959 56.048 0.039 0.000 1.338 148 H CB 0.451 30.230 29.762 0.029 0.000 1.389 148 H HN 0.629 nan 8.280 nan 0.000 0.503 149 R N -0.835 119.780 120.500 0.192 0.000 3.884 149 R HA -0.195 4.150 4.340 0.008 0.000 0.464 149 R C -0.324 176.008 176.300 0.052 0.000 0.963 149 R CA 1.332 57.435 56.100 0.006 0.000 1.408 149 R CB -1.508 28.697 30.300 -0.158 0.000 2.054 149 R HN 0.334 nan 8.270 nan 0.000 0.522 150 D N 0.180 120.768 120.400 0.313 0.000 2.940 150 D HA 0.240 4.885 4.640 0.008 0.000 0.366 150 D C -0.690 175.689 176.300 0.131 0.000 1.446 150 D CA -0.199 53.928 54.000 0.212 0.000 0.780 150 D CB 0.404 41.299 40.800 0.159 0.000 1.206 150 D HN 0.095 nan 8.370 nan 0.000 0.454 151 L N 2.116 123.281 121.223 -0.096 0.000 2.433 151 L HA 0.253 4.598 4.340 0.008 0.000 0.275 151 L C 0.499 177.248 176.870 -0.201 0.000 1.128 151 L CA 0.485 55.116 54.840 -0.349 0.000 0.875 151 L CB 0.266 42.142 42.059 -0.305 0.000 1.171 151 L HN 0.128 nan 8.230 nan 0.000 0.463 152 K N 2.919 123.146 120.400 -0.288 0.000 2.548 152 K HA 0.489 4.814 4.320 0.008 0.000 0.282 152 K C -2.723 173.621 176.600 -0.426 0.000 1.006 152 K CA -1.651 54.307 56.287 -0.548 0.000 0.892 152 K CB 1.372 33.571 32.500 -0.503 0.000 1.499 152 K HN -0.086 nan 8.250 nan 0.000 0.433 153 P HA -0.170 nan 4.420 nan 0.000 0.219 153 P C 1.038 178.256 177.300 -0.136 0.000 1.146 153 P CA 1.461 64.411 63.100 -0.251 0.000 0.808 153 P CB 0.067 31.652 31.700 -0.192 0.000 0.779 154 S N -2.035 113.591 115.700 -0.123 0.000 2.555 154 S HA -0.003 4.472 4.470 0.008 0.000 0.230 154 S C 1.378 176.004 174.600 0.043 0.000 0.978 154 S CA 0.591 58.772 58.200 -0.033 0.000 0.934 154 S CB -0.866 62.302 63.200 -0.053 0.000 0.766 154 S HN 0.069 nan 8.310 nan 0.000 0.533 155 N N 1.133 119.832 118.700 -0.002 0.000 2.251 155 N HA 0.368 5.112 4.740 0.008 0.000 0.217 155 N C -0.882 174.622 175.510 -0.009 0.000 1.124 155 N CA 0.088 53.167 53.050 0.049 0.000 0.843 155 N CB 0.393 38.918 38.487 0.062 0.000 1.024 155 N HN 0.463 nan 8.380 nan 0.000 0.501 156 L N 0.600 121.799 121.223 -0.040 0.000 2.343 156 L HA 0.626 4.971 4.340 0.008 0.000 0.278 156 L C -0.133 176.710 176.870 -0.044 0.000 0.996 156 L CA -0.981 53.820 54.840 -0.065 0.000 0.831 156 L CB 1.801 43.797 42.059 -0.105 0.000 1.232 156 L HN -0.139 nan 8.230 nan 0.000 0.413 157 A N 3.804 126.597 122.820 -0.046 0.000 2.331 157 A HA 0.740 5.064 4.320 0.008 0.000 0.283 157 A C -0.322 177.225 177.584 -0.061 0.000 1.142 157 A CA -0.351 51.661 52.037 -0.041 0.000 0.812 157 A CB 0.839 19.811 19.000 -0.046 0.000 1.074 157 A HN 0.444 nan 8.150 nan 0.000 0.497 158 V N 4.245 124.129 119.914 -0.049 0.000 2.482 158 V HA 0.270 4.395 4.120 0.008 0.000 0.295 158 V C -0.189 175.883 176.094 -0.036 0.000 1.026 158 V CA -1.048 61.217 62.300 -0.058 0.000 0.856 158 V CB 1.263 33.048 31.823 -0.063 0.000 1.001 158 V HN 1.087 nan 8.190 nan 0.000 0.424 159 N N 3.316 121.997 118.700 -0.032 0.000 2.366 159 N HA 0.201 4.946 4.740 0.008 0.000 0.277 159 N C 0.719 176.229 175.510 -0.001 0.000 1.275 159 N CA -0.454 52.588 53.050 -0.012 0.000 0.964 159 N CB 0.631 39.112 38.487 -0.010 0.000 1.167 159 N HN 0.550 nan 8.380 nan 0.000 0.568 160 E N -1.223 118.982 120.200 0.008 0.000 2.204 160 E HA -0.081 4.274 4.350 0.008 0.000 0.194 160 E C 0.072 176.687 176.600 0.026 0.000 0.989 160 E CA 1.236 57.643 56.400 0.012 0.000 0.824 160 E CB -0.276 29.433 29.700 0.014 0.000 0.756 160 E HN 0.618 nan 8.360 nan 0.000 0.477 161 D N -0.611 119.813 120.400 0.041 0.000 2.336 161 D HA 0.053 4.698 4.640 0.008 0.000 0.229 161 D C -0.102 176.281 176.300 0.138 0.000 1.061 161 D CA 0.113 54.157 54.000 0.073 0.000 0.875 161 D CB -0.001 40.840 40.800 0.068 0.000 0.904 161 D HN 0.131 nan 8.370 nan 0.000 0.525 162 C N 0.931 120.290 119.300 0.097 0.000 4.465 162 C HA -0.180 4.285 4.460 0.008 0.000 0.274 162 C C 0.212 175.241 174.990 0.066 0.000 1.337 162 C CA -0.257 58.827 59.018 0.110 0.000 1.822 162 C CB -2.293 25.588 27.740 0.235 0.000 1.357 162 C HN 0.393 nan 8.230 nan 0.000 0.753 163 E N 0.051 120.277 120.200 0.044 0.000 2.316 163 E HA 0.487 4.842 4.350 0.008 0.000 0.275 163 E C -0.094 176.426 176.600 -0.134 0.000 1.029 163 E CA -0.022 56.345 56.400 -0.055 0.000 0.871 163 E CB 1.097 30.799 29.700 0.004 0.000 1.022 163 E HN 0.592 nan 8.360 nan 0.000 0.418 164 L N 2.711 123.808 121.223 -0.211 0.000 2.365 164 L HA 0.473 4.818 4.340 0.008 0.000 0.273 164 L C -1.151 175.625 176.870 -0.158 0.000 1.000 164 L CA -0.598 54.130 54.840 -0.187 0.000 0.819 164 L CB 1.097 43.013 42.059 -0.238 0.000 1.284 164 L HN 0.394 nan 8.230 nan 0.000 0.418 165 K N 5.492 125.819 120.400 -0.123 0.000 2.378 165 K HA 0.541 4.865 4.320 0.008 0.000 0.252 165 K C -1.220 175.334 176.600 -0.078 0.000 0.931 165 K CA -0.633 55.594 56.287 -0.100 0.000 0.794 165 K CB 2.483 34.923 32.500 -0.099 0.000 1.181 165 K HN 0.526 nan 8.250 nan 0.000 0.425 166 I N 5.640 126.173 120.570 -0.062 0.000 2.342 166 I HA 0.230 4.405 4.170 0.008 0.000 0.291 166 I C 0.201 176.332 176.117 0.023 0.000 1.010 166 I CA -0.462 60.817 61.300 -0.035 0.000 1.308 166 I CB 0.348 38.326 38.000 -0.037 0.000 1.400 166 I HN 0.381 nan 8.210 nan 0.000 0.488 167 L N 3.405 124.663 121.223 0.059 0.000 2.205 167 L HA 0.774 5.119 4.340 0.008 0.000 0.242 167 L C -1.517 175.466 176.870 0.187 0.000 1.115 167 L CA -0.675 54.214 54.840 0.081 0.000 0.987 167 L CB 1.984 44.045 42.059 0.004 0.000 1.568 167 L HN 0.343 nan 8.230 nan 0.000 0.450 168 D N -0.042 120.425 120.400 0.112 0.000 2.575 168 D HA 0.298 4.942 4.640 0.008 0.000 0.250 168 D C -1.184 175.213 176.300 0.162 0.000 1.279 168 D CA -0.231 53.852 54.000 0.138 0.000 0.925 168 D CB 1.461 42.249 40.800 -0.020 0.000 1.261 168 D HN 0.453 nan 8.370 nan 0.000 0.567 169 F N 2.555 122.527 119.950 0.037 0.000 2.819 169 F HA 0.419 4.950 4.527 0.007 0.000 0.294 169 F C 0.653 176.471 175.800 0.030 0.000 1.166 169 F CA -0.935 57.080 58.000 0.025 0.000 1.374 169 F CB 0.267 39.276 39.000 0.016 0.000 0.956 169 F HN 0.340 nan 8.300 nan 0.000 0.509 170 G N 1.620 110.567 108.800 0.245 0.000 2.365 170 G HA2 0.372 4.337 3.960 0.008 0.000 0.293 170 G HA3 0.372 4.337 3.960 0.008 0.000 0.293 170 G C 0.439 175.455 174.900 0.194 0.000 1.128 170 G CA -0.296 44.902 45.100 0.163 0.000 0.971 170 G HN 0.411 nan 8.290 nan 0.000 0.422 171 L N 1.500 122.801 121.223 0.130 0.000 2.693 171 L HA 0.425 4.769 4.340 0.008 0.000 0.235 171 L C 1.156 178.012 176.870 -0.022 0.000 1.127 171 L CA 0.069 54.983 54.840 0.125 0.000 0.914 171 L CB 0.026 42.140 42.059 0.092 0.000 1.193 171 L HN 0.604 nan 8.230 nan 0.000 0.502 172 A N -0.138 122.598 122.820 -0.140 0.000 2.564 172 A HA 0.643 4.967 4.320 0.008 0.000 0.288 172 A C -0.729 176.562 177.584 -0.488 0.000 1.164 172 A CA -0.660 51.075 52.037 -0.504 0.000 0.712 172 A CB 1.340 20.161 19.000 -0.298 0.000 1.303 172 A HN 0.093 nan 8.150 nan 0.000 0.418 173 R N -0.628 119.520 120.500 -0.586 0.000 2.615 173 R HA 0.274 4.619 4.340 0.008 0.000 0.270 173 R C -0.611 175.679 176.300 -0.016 0.000 1.081 173 R CA -0.107 55.893 56.100 -0.166 0.000 1.154 173 R CB 0.196 30.420 30.300 -0.126 0.000 1.063 173 R HN 0.821 nan 8.270 nan 0.000 0.519 174 H N 1.680 120.752 119.070 0.003 0.000 2.680 174 H HA 0.143 4.704 4.556 0.008 0.000 0.224 174 H C -0.358 174.963 175.328 -0.013 0.000 1.866 174 H CA -0.013 56.031 56.048 -0.007 0.000 1.302 174 H CB -0.148 29.622 29.762 0.012 0.000 1.709 174 H HN 0.609 nan 8.280 nan 0.000 0.537 175 T N -1.632 112.874 114.554 -0.080 0.000 2.862 175 T HA 0.068 4.422 4.350 0.008 0.000 0.276 175 T C 1.282 175.944 174.700 -0.063 0.000 0.974 175 T CA -0.826 61.247 62.100 -0.046 0.000 0.966 175 T CB 1.132 69.967 68.868 -0.054 0.000 1.072 175 T HN 0.242 nan 8.240 nan 0.000 0.538 176 D N 0.394 120.777 120.400 -0.028 0.000 2.116 176 D HA -0.135 4.510 4.640 0.008 0.000 0.193 176 D C 1.639 177.921 176.300 -0.029 0.000 0.998 176 D CA 1.731 55.719 54.000 -0.019 0.000 0.836 176 D CB -0.438 40.346 40.800 -0.027 0.000 0.951 176 D HN 0.810 nan 8.370 nan 0.000 0.449 177 D N 0.672 121.044 120.400 -0.046 0.000 2.144 177 D HA -0.183 4.462 4.640 0.008 0.000 0.199 177 D C 1.907 178.161 176.300 -0.077 0.000 0.984 177 D CA 1.453 55.423 54.000 -0.050 0.000 0.834 177 D CB -0.125 40.644 40.800 -0.052 0.000 0.955 177 D HN 0.412 nan 8.370 nan 0.000 0.465 178 E N -0.952 119.175 120.200 -0.121 0.000 2.338 178 E HA -0.128 4.227 4.350 0.008 0.000 0.197 178 E C 1.377 177.852 176.600 -0.207 0.000 1.007 178 E CA 0.792 57.083 56.400 -0.181 0.000 0.849 178 E CB -0.080 29.476 29.700 -0.241 0.000 0.774 178 E HN 0.241 nan 8.360 nan 0.000 0.506 179 M N 1.322 120.833 119.600 -0.148 0.000 2.404 179 M HA 0.177 4.662 4.480 0.008 0.000 0.271 179 M C -0.273 176.043 176.300 0.026 0.000 1.128 179 M CA 0.239 55.473 55.300 -0.110 0.000 0.982 179 M CB 0.866 33.442 32.600 -0.040 0.000 1.445 179 M HN -0.087 nan 8.290 nan 0.000 0.495 180 T N 0.877 115.448 114.554 0.029 0.000 2.837 180 T HA 0.640 4.994 4.350 0.008 0.000 0.285 180 T C 0.700 175.426 174.700 0.044 0.000 0.984 180 T CA 0.380 62.536 62.100 0.093 0.000 1.049 180 T CB 1.820 70.718 68.868 0.050 0.000 0.947 180 T HN 0.638 nan 8.240 nan 0.000 0.472 181 G N 1.842 110.702 108.800 0.100 0.000 2.527 181 G HA2 -0.228 3.736 3.960 0.008 0.000 0.227 181 G HA3 -0.228 3.736 3.960 0.008 0.000 0.227 181 G C -0.784 174.224 174.900 0.179 0.000 1.291 181 G CA -0.582 44.596 45.100 0.129 0.000 0.904 181 G HN 0.765 nan 8.290 nan 0.000 0.577 182 Y N 1.704 122.059 120.300 0.092 0.000 2.632 182 Y HA 0.477 5.032 4.550 0.008 0.000 0.336 182 Y C 0.805 176.708 175.900 0.005 0.000 1.237 182 Y CA -0.026 58.210 58.100 0.227 0.000 1.595 182 Y CB -0.106 38.503 38.460 0.248 0.000 1.508 182 Y HN 1.107 nan 8.280 nan 0.000 0.480 183 V N 1.503 121.072 119.914 -0.574 0.000 2.623 183 V HA 0.688 4.813 4.120 0.008 0.000 0.304 183 V C 0.706 175.745 176.094 -1.758 0.000 1.054 183 V CA -0.444 61.289 62.300 -0.945 0.000 0.882 183 V CB 0.952 32.498 31.823 -0.461 0.000 1.002 183 V HN 0.551 nan 8.190 nan 0.000 0.424 184 A N 2.899 124.727 122.820 -1.652 0.000 2.093 184 A HA -0.136 4.189 4.320 0.008 0.000 0.222 184 A C 1.899 179.254 177.584 -0.382 0.000 1.162 184 A CA 2.718 54.195 52.037 -0.934 0.000 0.655 184 A CB -0.938 17.862 19.000 -0.333 0.000 0.805 184 A HN 1.100 nan 8.150 nan 0.000 0.461 185 T N -1.412 112.887 114.554 -0.425 0.000 2.881 185 T HA -0.110 4.245 4.350 0.008 0.000 0.270 185 T C 1.917 176.534 174.700 -0.138 0.000 1.068 185 T CA 1.578 63.545 62.100 -0.222 0.000 1.131 185 T CB -0.092 68.610 68.868 -0.276 0.000 0.871 185 T HN 0.599 nan 8.240 nan 0.000 0.479 186 R N -1.172 119.169 120.500 -0.266 0.000 2.373 186 R HA 0.072 4.417 4.340 0.008 0.000 0.221 186 R C 1.390 177.710 176.300 0.034 0.000 0.893 186 R CA -0.136 55.878 56.100 -0.143 0.000 1.049 186 R CB 0.205 30.342 30.300 -0.271 0.000 1.119 186 R HN 0.318 nan 8.270 nan 0.000 0.535 187 W N 0.061 121.319 121.300 -0.070 0.000 2.421 187 W HA -0.089 4.576 4.660 0.008 0.000 0.270 187 W C 0.602 176.944 176.519 -0.294 0.000 1.233 187 W CA 0.673 57.872 57.345 -0.243 0.000 1.226 187 W CB -0.432 28.737 29.460 -0.485 0.000 1.121 187 W HN 0.142 nan 8.180 nan 0.000 0.579 188 Y N -0.219 120.265 120.300 0.307 0.000 2.507 188 Y HA 0.241 4.796 4.550 0.008 0.000 0.254 188 Y C 1.024 177.104 175.900 0.300 0.000 1.171 188 Y CA -0.367 57.905 58.100 0.287 0.000 1.238 188 Y CB -0.253 38.309 38.460 0.170 0.000 1.148 188 Y HN -0.435 nan 8.280 nan 0.000 0.525 189 R N 1.417 122.097 120.500 0.300 0.000 2.308 189 R HA 0.499 4.844 4.340 0.008 0.000 0.305 189 R C 0.283 176.563 176.300 -0.033 0.000 1.053 189 R CA -0.381 55.794 56.100 0.125 0.000 0.957 189 R CB 0.737 31.036 30.300 -0.002 0.000 1.022 189 R HN 0.171 nan 8.270 nan 0.000 0.461 190 A N 5.453 128.169 122.820 -0.174 0.000 2.531 190 A HA 0.132 4.456 4.320 0.008 0.000 0.236 190 A C -1.101 176.048 177.584 -0.726 0.000 1.062 190 A CA -0.884 50.725 52.037 -0.713 0.000 0.760 190 A CB -0.029 18.761 19.000 -0.349 0.000 0.995 190 A HN 0.482 nan 8.150 nan 0.000 0.501 191 P HA -0.205 nan 4.420 nan 0.000 0.219 191 P C 1.046 177.677 177.300 -1.115 0.000 1.146 191 P CA 1.586 64.083 63.100 -1.005 0.000 0.808 191 P CB 0.086 31.095 31.700 -1.152 0.000 0.779 192 E N -0.016 119.710 120.200 -0.791 0.000 2.216 192 E HA -0.101 4.254 4.350 0.008 0.000 0.192 192 E C 2.078 178.517 176.600 -0.268 0.000 0.988 192 E CA 0.632 56.749 56.400 -0.472 0.000 0.834 192 E CB -0.944 28.747 29.700 -0.014 0.000 0.772 192 E HN 0.317 nan 8.360 nan 0.000 0.479 193 I N -0.079 120.327 120.570 -0.274 0.000 2.731 193 I HA -0.033 4.141 4.170 0.008 0.000 0.260 193 I C 2.677 178.688 176.117 -0.176 0.000 1.138 193 I CA 0.264 61.454 61.300 -0.183 0.000 1.461 193 I CB 0.037 37.845 38.000 -0.319 0.000 1.128 193 I HN 0.020 nan 8.210 nan 0.000 0.438 194 M N 0.537 119.988 119.600 -0.248 0.000 2.106 194 M HA -0.206 4.279 4.480 0.008 0.000 0.259 194 M C 0.821 177.066 176.300 -0.091 0.000 1.068 194 M CA 1.877 57.075 55.300 -0.170 0.000 1.100 194 M CB 0.113 32.568 32.600 -0.242 0.000 1.351 194 M HN 0.172 nan 8.290 nan 0.000 0.404 195 L N -0.101 120.962 121.223 -0.267 0.000 2.769 195 L HA 0.232 4.577 4.340 0.008 0.000 0.240 195 L C 0.225 177.053 176.870 -0.070 0.000 1.163 195 L CA 0.171 54.911 54.840 -0.166 0.000 0.962 195 L CB -1.962 39.951 42.059 -0.243 0.000 1.258 195 L HN 0.470 nan 8.230 nan 0.000 0.513 196 N N 0.292 118.950 118.700 -0.070 0.000 2.629 196 N HA -0.247 4.498 4.740 0.008 0.000 0.278 196 N C 0.606 176.228 175.510 0.187 0.000 1.102 196 N CA 0.087 53.163 53.050 0.043 0.000 0.759 196 N CB -0.200 38.316 38.487 0.047 0.000 0.911 196 N HN 0.254 nan 8.380 nan 0.000 0.553 197 W N 1.284 122.593 121.300 0.016 0.000 2.576 197 W HA 0.224 4.889 4.660 0.008 0.000 0.270 197 W C 1.200 177.732 176.519 0.023 0.000 1.255 197 W CA 0.727 58.081 57.345 0.015 0.000 1.314 197 W CB -0.409 29.054 29.460 0.005 0.000 1.101 197 W HN 0.512 nan 8.180 nan 0.000 0.595 198 M N -2.750 116.994 119.600 0.240 0.000 3.231 198 M HA 0.243 4.728 4.480 0.008 0.000 0.282 198 M C -1.544 174.811 176.300 0.093 0.000 1.126 198 M CA -0.886 54.523 55.300 0.181 0.000 0.820 198 M CB 1.358 34.092 32.600 0.223 0.000 1.624 198 M HN -0.282 nan 8.290 nan 0.000 0.535 199 H N 1.886 120.966 119.070 0.018 0.000 3.026 199 H HA 0.366 4.927 4.556 0.008 0.000 0.289 199 H C -1.106 174.196 175.328 -0.045 0.000 1.022 199 H CA 0.732 56.728 56.048 -0.087 0.000 1.477 199 H CB -0.338 29.366 29.762 -0.097 0.000 1.510 199 H HN 0.485 nan 8.280 nan 0.000 0.535 200 Y N 1.292 121.639 120.300 0.079 0.000 2.307 200 Y HA 0.337 4.892 4.550 0.008 0.000 0.324 200 Y C 0.159 176.081 175.900 0.036 0.000 1.238 200 Y CA -1.529 56.598 58.100 0.045 0.000 1.280 200 Y CB 0.561 39.022 38.460 0.002 0.000 1.248 200 Y HN 0.653 nan 8.280 nan 0.000 0.508 201 N N 0.508 119.364 118.700 0.260 0.000 2.619 201 N HA 0.150 4.894 4.740 0.008 0.000 0.294 201 N C 0.483 176.063 175.510 0.116 0.000 1.279 201 N CA -0.629 52.505 53.050 0.141 0.000 0.867 201 N CB 0.642 39.170 38.487 0.068 0.000 1.329 201 N HN 0.859 nan 8.380 nan 0.000 0.557 202 Q N -1.270 118.511 119.800 -0.033 0.000 2.364 202 Q HA -0.118 4.227 4.340 0.008 0.000 0.209 202 Q C 0.153 176.045 176.000 -0.181 0.000 0.977 202 Q CA 1.793 57.450 55.803 -0.242 0.000 0.885 202 Q CB -0.901 27.446 28.738 -0.652 0.000 0.941 202 Q HN 0.774 nan 8.270 nan 0.000 0.464 203 T N -0.366 114.173 114.554 -0.025 0.000 3.163 203 T HA 0.018 4.373 4.350 0.008 0.000 0.260 203 T C 1.847 176.635 174.700 0.146 0.000 1.156 203 T CA 0.673 62.826 62.100 0.087 0.000 1.072 203 T CB -0.387 68.547 68.868 0.109 0.000 0.937 203 T HN 0.355 nan 8.240 nan 0.000 0.528 204 V N 0.438 120.415 119.914 0.105 0.000 2.380 204 V HA -0.226 3.899 4.120 0.008 0.000 0.251 204 V C 2.052 178.248 176.094 0.169 0.000 1.063 204 V CA 1.964 64.320 62.300 0.092 0.000 1.055 204 V CB -0.759 31.031 31.823 -0.056 0.000 0.657 204 V HN 0.246 nan 8.190 nan 0.000 0.455 205 D N 0.354 120.861 120.400 0.178 0.000 2.178 205 D HA -0.034 4.611 4.640 0.008 0.000 0.202 205 D C 2.181 178.598 176.300 0.196 0.000 0.974 205 D CA 1.274 55.394 54.000 0.200 0.000 0.841 205 D CB -0.112 40.870 40.800 0.304 0.000 0.953 205 D HN 0.421 nan 8.370 nan 0.000 0.478 206 I N 0.325 121.030 120.570 0.226 0.000 2.315 206 I HA -0.206 3.968 4.170 0.008 0.000 0.248 206 I C 2.354 178.589 176.117 0.196 0.000 1.117 206 I CA 0.624 62.037 61.300 0.188 0.000 1.404 206 I CB -0.991 37.120 38.000 0.186 0.000 1.071 206 I HN 0.274 nan 8.210 nan 0.000 0.419 207 W N 2.220 123.580 121.300 0.100 0.000 2.318 207 W HA -0.262 4.403 4.660 0.008 0.000 0.313 207 W C 2.517 179.117 176.519 0.135 0.000 1.221 207 W CA 2.064 59.480 57.345 0.118 0.000 1.266 207 W CB -0.271 29.248 29.460 0.098 0.000 1.150 207 W HN 0.124 nan 8.180 nan 0.000 0.496 208 S N 0.677 116.570 115.700 0.322 0.000 2.382 208 S HA -0.176 4.299 4.470 0.008 0.000 0.228 208 S C 1.830 176.497 174.600 0.111 0.000 1.027 208 S CA 1.633 59.985 58.200 0.253 0.000 0.991 208 S CB -0.802 62.522 63.200 0.205 0.000 0.823 208 S HN 0.138 nan 8.310 nan 0.000 0.469 209 V N 2.030 121.977 119.914 0.055 0.000 2.343 209 V HA -0.154 3.971 4.120 0.008 0.000 0.247 209 V C 2.689 178.763 176.094 -0.034 0.000 1.051 209 V CA 1.925 64.228 62.300 0.004 0.000 1.036 209 V CB -1.670 30.156 31.823 0.004 0.000 0.654 209 V HN 0.582 nan 8.190 nan 0.000 0.451 210 G N -0.967 107.778 108.800 -0.091 0.000 2.442 210 G HA2 -0.266 3.699 3.960 0.008 0.000 0.219 210 G HA3 -0.266 3.699 3.960 0.008 0.000 0.219 210 G C 1.684 176.446 174.900 -0.230 0.000 1.141 210 G CA 1.366 46.350 45.100 -0.192 0.000 0.763 210 G HN 0.557 nan 8.290 nan 0.000 0.554 211 C N 0.173 119.356 119.300 -0.195 0.000 2.440 211 C HA 0.111 4.576 4.460 0.008 0.000 0.278 211 C C 2.805 177.803 174.990 0.014 0.000 1.295 211 C CA 0.318 59.253 59.018 -0.138 0.000 1.738 211 C CB -0.934 26.820 27.740 0.024 0.000 1.987 211 C HN 0.464 nan 8.230 nan 0.000 0.492 212 I N 0.465 121.089 120.570 0.090 0.000 2.233 212 I HA -0.232 3.943 4.170 0.008 0.000 0.243 212 I C 2.668 178.783 176.117 -0.003 0.000 1.093 212 I CA 1.531 62.877 61.300 0.077 0.000 1.380 212 I CB -0.472 37.530 38.000 0.004 0.000 1.067 212 I HN 0.315 nan 8.210 nan 0.000 0.413 213 M N 0.951 120.524 119.600 -0.045 0.000 2.106 213 M HA -0.270 4.215 4.480 0.008 0.000 0.259 213 M C 2.375 178.587 176.300 -0.146 0.000 1.068 213 M CA 2.363 57.622 55.300 -0.068 0.000 1.100 213 M CB -0.160 32.390 32.600 -0.084 0.000 1.351 213 M HN 0.271 nan 8.290 nan 0.000 0.404 214 A N -0.212 122.467 122.820 -0.235 0.000 1.933 214 A HA -0.244 4.081 4.320 0.008 0.000 0.218 214 A C 1.948 179.470 177.584 -0.105 0.000 1.175 214 A CA 2.065 53.914 52.037 -0.313 0.000 0.628 214 A CB -0.882 17.916 19.000 -0.337 0.000 0.814 214 A HN 0.759 nan 8.150 nan 0.000 0.444 215 E N -0.097 120.072 120.200 -0.053 0.000 2.152 215 E HA -0.076 4.278 4.350 0.008 0.000 0.192 215 E C 1.839 178.449 176.600 0.017 0.000 0.983 215 E CA 0.629 57.030 56.400 0.002 0.000 0.818 215 E CB -0.191 29.547 29.700 0.063 0.000 0.758 215 E HN 0.627 nan 8.360 nan 0.000 0.467 216 L N 0.590 121.821 121.223 0.013 0.000 2.131 216 L HA -0.181 4.163 4.340 0.008 0.000 0.210 216 L C 2.454 179.346 176.870 0.038 0.000 1.092 216 L CA 0.805 55.663 54.840 0.031 0.000 0.759 216 L CB -0.414 41.671 42.059 0.043 0.000 0.903 216 L HN 0.277 nan 8.230 nan 0.000 0.435 217 L N -0.542 120.687 121.223 0.009 0.000 2.072 217 L HA -0.129 4.216 4.340 0.008 0.000 0.205 217 L C 2.651 179.555 176.870 0.056 0.000 1.079 217 L CA 1.855 56.709 54.840 0.022 0.000 0.752 217 L CB -0.608 41.420 42.059 -0.052 0.000 0.906 217 L HN 0.417 nan 8.230 nan 0.000 0.436 218 T N -4.947 109.644 114.554 0.062 0.000 3.015 218 T HA 0.255 4.609 4.350 0.008 0.000 0.250 218 T C 1.492 176.211 174.700 0.032 0.000 1.057 218 T CA 0.529 62.666 62.100 0.062 0.000 1.066 218 T CB 0.808 69.720 68.868 0.074 0.000 0.959 218 T HN 0.409 nan 8.240 nan 0.000 0.488 219 G N 1.764 110.582 108.800 0.030 0.000 2.176 219 G HA2 -0.197 3.768 3.960 0.008 0.000 0.253 219 G HA3 -0.197 3.768 3.960 0.008 0.000 0.253 219 G C 0.116 175.025 174.900 0.015 0.000 0.979 219 G CA -0.084 45.032 45.100 0.026 0.000 0.641 219 G HN 0.667 nan 8.290 nan 0.000 0.530 220 R N 0.154 120.652 120.500 -0.004 0.000 2.854 220 R HA 0.586 4.931 4.340 0.008 0.000 0.271 220 R C -0.114 176.141 176.300 -0.076 0.000 0.996 220 R CA -0.398 55.679 56.100 -0.037 0.000 0.961 220 R CB 0.670 30.934 30.300 -0.059 0.000 1.182 220 R HN 0.138 nan 8.270 nan 0.000 0.479 221 T N 2.301 116.775 114.554 -0.135 0.000 2.928 221 T HA -0.005 4.350 4.350 0.008 0.000 0.305 221 T C 1.477 175.974 174.700 -0.338 0.000 1.035 221 T CA -0.219 61.732 62.100 -0.247 0.000 1.145 221 T CB 0.549 69.133 68.868 -0.473 0.000 0.963 221 T HN 0.306 nan 8.240 nan 0.000 0.545 222 L N 2.389 123.352 121.223 -0.434 0.000 2.023 222 L HA 0.262 4.607 4.340 0.008 0.000 0.205 222 L C 0.253 176.680 176.870 -0.739 0.000 1.073 222 L CA 1.711 56.149 54.840 -0.670 0.000 0.745 222 L CB -0.291 41.163 42.059 -1.009 0.000 0.900 222 L HN 0.625 nan 8.230 nan 0.000 0.435 223 F N 1.303 121.089 119.950 -0.274 0.000 2.550 223 F HA 0.406 4.938 4.527 0.008 0.000 0.348 223 F C -2.057 173.423 175.800 -0.532 0.000 1.219 223 F CA -2.756 55.093 58.000 -0.252 0.000 1.203 223 F CB 0.178 39.135 39.000 -0.071 0.000 1.436 223 F HN 0.047 nan 8.300 nan 0.000 0.541 224 P HA 0.147 nan 4.420 nan 0.000 0.220 224 P C 0.635 177.695 177.300 -0.400 0.000 1.806 224 P CA 0.147 62.457 63.100 -1.317 0.000 0.976 224 P CB 0.304 31.379 31.700 -1.042 0.000 1.952 225 G N 1.252 110.012 108.800 -0.067 0.000 2.432 225 G HA2 0.133 4.098 3.960 0.008 0.000 0.239 225 G HA3 0.133 4.098 3.960 0.008 0.000 0.239 225 G C 1.220 176.399 174.900 0.465 0.000 1.291 225 G CA -0.061 45.168 45.100 0.216 0.000 0.863 225 G HN 0.341 nan 8.290 nan 0.000 0.560 226 T N -1.533 113.245 114.554 0.373 0.000 3.067 226 T HA 0.160 4.515 4.350 0.008 0.000 0.261 226 T C 0.462 175.327 174.700 0.275 0.000 1.110 226 T CA 0.936 63.268 62.100 0.388 0.000 1.113 226 T CB -0.302 68.676 68.868 0.185 0.000 0.917 226 T HN 0.779 nan 8.240 nan 0.000 0.499 227 D N -1.855 118.680 120.400 0.225 0.000 2.692 227 D HA 0.275 4.920 4.640 0.008 0.000 0.290 227 D C -0.006 176.411 176.300 0.194 0.000 1.281 227 D CA -0.893 53.231 54.000 0.207 0.000 0.804 227 D CB 0.196 41.096 40.800 0.168 0.000 1.331 227 D HN -0.107 nan 8.370 nan 0.000 0.432 228 H N -0.373 118.721 119.070 0.040 0.000 2.353 228 H HA -0.041 4.519 4.556 0.008 0.000 0.298 228 H C 1.530 176.868 175.328 0.016 0.000 1.103 228 H CA 1.663 57.719 56.048 0.012 0.000 1.293 228 H CB -0.070 29.675 29.762 -0.028 0.000 1.372 228 H HN 0.344 nan 8.280 nan 0.000 0.501 229 I N 0.079 120.740 120.570 0.152 0.000 2.277 229 I HA -0.156 4.018 4.170 0.008 0.000 0.243 229 I C 2.105 178.298 176.117 0.127 0.000 1.094 229 I CA 1.174 62.544 61.300 0.118 0.000 1.393 229 I CB -0.961 37.069 38.000 0.050 0.000 1.078 229 I HN 0.237 nan 8.210 nan 0.000 0.417 230 D N 0.833 121.301 120.400 0.115 0.000 2.133 230 D HA -0.292 4.352 4.640 0.008 0.000 0.195 230 D C 2.236 178.592 176.300 0.095 0.000 0.997 230 D CA 1.567 55.631 54.000 0.105 0.000 0.840 230 D CB 0.006 40.872 40.800 0.111 0.000 0.947 230 D HN 0.322 nan 8.370 nan 0.000 0.452 231 Q N -0.919 118.937 119.800 0.094 0.000 2.124 231 Q HA -0.140 4.205 4.340 0.008 0.000 0.202 231 Q C 2.148 178.136 176.000 -0.021 0.000 0.977 231 Q CA 0.977 56.813 55.803 0.056 0.000 0.850 231 Q CB -0.166 28.608 28.738 0.060 0.000 0.901 231 Q HN 0.386 nan 8.270 nan 0.000 0.429 232 L N 0.811 122.042 121.223 0.014 0.000 2.056 232 L HA -0.137 4.208 4.340 0.008 0.000 0.207 232 L C 1.854 178.745 176.870 0.036 0.000 1.078 232 L CA 1.758 56.605 54.840 0.012 0.000 0.749 232 L CB -0.217 41.915 42.059 0.121 0.000 0.901 232 L HN 0.041 nan 8.230 nan 0.000 0.433 233 K N -0.543 119.901 120.400 0.074 0.000 2.032 233 K HA -0.171 4.154 4.320 0.008 0.000 0.209 233 K C 2.070 178.699 176.600 0.049 0.000 1.048 233 K CA 1.856 58.184 56.287 0.069 0.000 0.927 233 K CB -0.435 32.114 32.500 0.082 0.000 0.712 233 K HN 0.341 nan 8.250 nan 0.000 0.441 234 L N 0.844 122.096 121.223 0.047 0.000 2.012 234 L HA -0.219 4.126 4.340 0.008 0.000 0.210 234 L C 2.438 179.342 176.870 0.056 0.000 1.073 234 L CA 1.237 56.135 54.840 0.095 0.000 0.748 234 L CB -0.533 41.634 42.059 0.179 0.000 0.891 234 L HN 0.178 nan 8.230 nan 0.000 0.431 235 I N -0.223 120.201 120.570 -0.243 0.000 2.127 235 I HA -0.341 3.833 4.170 0.008 0.000 0.241 235 I C 2.434 178.549 176.117 -0.004 0.000 1.075 235 I CA 1.560 62.602 61.300 -0.430 0.000 1.334 235 I CB -0.274 37.430 38.000 -0.494 0.000 1.040 235 I HN 0.216 nan 8.210 nan 0.000 0.405 236 L N 0.099 121.342 121.223 0.033 0.000 2.141 236 L HA -0.160 4.185 4.340 0.008 0.000 0.209 236 L C 2.719 179.651 176.870 0.103 0.000 1.094 236 L CA 0.883 55.778 54.840 0.093 0.000 0.763 236 L CB -0.613 41.494 42.059 0.080 0.000 0.908 236 L HN 0.272 nan 8.230 nan 0.000 0.437 237 R N 0.596 121.150 120.500 0.090 0.000 2.127 237 R HA -0.222 4.122 4.340 0.008 0.000 0.238 237 R C 2.216 178.585 176.300 0.115 0.000 1.134 237 R CA 1.619 57.772 56.100 0.087 0.000 0.975 237 R CB -0.102 30.239 30.300 0.069 0.000 0.865 237 R HN 0.268 nan 8.270 nan 0.000 0.447 238 L N -0.294 121.029 121.223 0.167 0.000 2.168 238 L HA 0.048 4.393 4.340 0.008 0.000 0.203 238 L C 1.665 178.728 176.870 0.321 0.000 1.078 238 L CA 1.124 56.078 54.840 0.190 0.000 0.780 238 L CB 0.339 42.527 42.059 0.216 0.000 0.939 238 L HN -0.036 nan 8.230 nan 0.000 0.451 239 V N 0.034 120.143 119.914 0.325 0.000 3.644 239 V HA 0.502 4.627 4.120 0.008 0.000 0.267 239 V C 0.836 177.071 176.094 0.235 0.000 1.277 239 V CA 0.380 62.897 62.300 0.362 0.000 1.096 239 V CB -0.824 31.255 31.823 0.428 0.000 0.828 239 V HN 0.600 nan 8.190 nan 0.000 0.446 240 G N 1.285 110.192 108.800 0.179 0.000 2.705 240 G HA2 -0.136 3.828 3.960 0.008 0.000 0.686 240 G HA3 -0.136 3.828 3.960 0.008 0.000 0.686 240 G C -0.096 174.865 174.900 0.102 0.000 1.285 240 G CA -0.431 44.741 45.100 0.120 0.000 0.800 240 G HN 0.552 nan 8.290 nan 0.000 0.611 241 T N 0.471 115.062 114.554 0.062 0.000 2.856 241 T HA 0.568 4.923 4.350 0.008 0.000 0.306 241 T C -1.875 172.837 174.700 0.020 0.000 1.062 241 T CA -0.634 61.486 62.100 0.035 0.000 1.083 241 T CB 1.067 69.935 68.868 0.001 0.000 0.984 241 T HN 0.534 nan 8.240 nan 0.000 0.542 242 P HA 0.326 nan 4.420 nan 0.000 0.266 242 P C 0.511 177.785 177.300 -0.043 0.000 1.195 242 P CA -0.088 62.985 63.100 -0.044 0.000 0.768 242 P CB 0.205 31.823 31.700 -0.138 0.000 0.838 243 G N 0.952 109.735 108.800 -0.029 0.000 2.537 243 G HA2 0.401 4.366 3.960 0.008 0.000 0.297 243 G HA3 0.401 4.366 3.960 0.008 0.000 0.297 243 G C 1.086 175.959 174.900 -0.045 0.000 1.310 243 G CA -0.094 44.989 45.100 -0.028 0.000 1.027 243 G HN 0.467 nan 8.290 nan 0.000 0.505 244 A N -0.799 121.999 122.820 -0.037 0.000 1.903 244 A HA -0.179 4.146 4.320 0.008 0.000 0.219 244 A C 2.071 179.630 177.584 -0.042 0.000 1.191 244 A CA 2.425 54.438 52.037 -0.040 0.000 0.638 244 A CB -0.715 18.268 19.000 -0.028 0.000 0.823 244 A HN 0.773 nan 8.150 nan 0.000 0.451 245 E N -0.768 119.414 120.200 -0.029 0.000 2.072 245 E HA -0.140 4.214 4.350 0.008 0.000 0.191 245 E C 1.975 178.555 176.600 -0.032 0.000 0.985 245 E CA 0.955 57.342 56.400 -0.023 0.000 0.801 245 E CB -0.151 29.544 29.700 -0.008 0.000 0.750 245 E HN 0.557 nan 8.360 nan 0.000 0.452 246 L N 0.890 122.087 121.223 -0.042 0.000 2.072 246 L HA -0.117 4.228 4.340 0.008 0.000 0.205 246 L C 2.240 179.034 176.870 -0.126 0.000 1.079 246 L CA 1.082 55.886 54.840 -0.061 0.000 0.752 246 L CB -0.432 41.596 42.059 -0.052 0.000 0.906 246 L HN 0.327 nan 8.230 nan 0.000 0.436 247 L N 0.080 121.215 121.223 -0.147 0.000 2.012 247 L HA -0.296 4.049 4.340 0.008 0.000 0.210 247 L C 2.668 179.455 176.870 -0.139 0.000 1.073 247 L CA 1.508 56.235 54.840 -0.190 0.000 0.748 247 L CB -0.536 41.432 42.059 -0.152 0.000 0.891 247 L HN 0.274 nan 8.230 nan 0.000 0.431 248 K N 0.267 120.615 120.400 -0.088 0.000 2.127 248 K HA -0.234 4.090 4.320 0.008 0.000 0.208 248 K C 1.989 178.560 176.600 -0.048 0.000 1.047 248 K CA 1.644 57.896 56.287 -0.058 0.000 0.927 248 K CB -0.036 32.441 32.500 -0.039 0.000 0.716 248 K HN 0.324 nan 8.250 nan 0.000 0.450 249 K N 0.231 120.602 120.400 -0.048 0.000 2.366 249 K HA 0.032 4.357 4.320 0.008 0.000 0.198 249 K C 0.439 177.032 176.600 -0.012 0.000 1.044 249 K CA 0.347 56.623 56.287 -0.018 0.000 0.973 249 K CB 0.144 32.645 32.500 0.002 0.000 0.767 249 K HN 0.127 nan 8.250 nan 0.000 0.475 250 I N 2.643 123.165 120.570 -0.081 0.000 2.372 250 I HA -0.070 4.105 4.170 0.008 0.000 0.298 250 I C 1.245 177.340 176.117 -0.037 0.000 1.137 250 I CA -0.210 61.032 61.300 -0.096 0.000 1.314 250 I CB 0.917 38.706 38.000 -0.351 0.000 1.444 250 I HN 0.130 nan 8.210 nan 0.000 0.541 251 S N 2.358 118.079 115.700 0.035 0.000 2.402 251 S HA -0.124 4.351 4.470 0.008 0.000 0.229 251 S C 1.308 175.930 174.600 0.037 0.000 1.021 251 S CA 0.117 58.343 58.200 0.044 0.000 0.974 251 S CB -0.148 63.106 63.200 0.091 0.000 0.800 251 S HN 0.621 nan 8.310 nan 0.000 0.484 252 S N 2.296 118.028 115.700 0.054 0.000 2.671 252 S HA 0.033 4.508 4.470 0.008 0.000 0.331 252 S C 1.116 175.731 174.600 0.025 0.000 1.182 252 S CA -0.255 57.979 58.200 0.058 0.000 1.276 252 S CB -0.160 63.111 63.200 0.118 0.000 1.360 252 S HN 0.598 nan 8.310 nan 0.000 0.563 253 E N 3.718 123.928 120.200 0.017 0.000 2.171 253 E HA -0.173 4.181 4.350 0.008 0.000 0.197 253 E C 1.825 178.437 176.600 0.020 0.000 0.997 253 E CA 1.630 58.034 56.400 0.007 0.000 0.810 253 E CB -0.332 29.373 29.700 0.008 0.000 0.738 253 E HN 0.696 nan 8.360 nan 0.000 0.467 254 S N -0.668 115.055 115.700 0.038 0.000 2.357 254 S HA -0.065 4.410 4.470 0.008 0.000 0.221 254 S C 1.982 176.638 174.600 0.093 0.000 1.031 254 S CA 1.049 59.282 58.200 0.055 0.000 0.982 254 S CB -0.315 62.913 63.200 0.047 0.000 0.853 254 S HN 0.495 nan 8.310 nan 0.000 0.458 255 A N 1.571 124.458 122.820 0.112 0.000 1.908 255 A HA -0.132 4.192 4.320 0.008 0.000 0.218 255 A C 2.154 179.769 177.584 0.052 0.000 1.181 255 A CA 1.832 53.974 52.037 0.176 0.000 0.627 255 A CB -0.662 18.501 19.000 0.273 0.000 0.818 255 A HN 0.583 nan 8.150 nan 0.000 0.445 256 R N -0.629 119.843 120.500 -0.048 0.000 2.090 256 R HA -0.121 4.224 4.340 0.008 0.000 0.228 256 R C 2.045 178.305 176.300 -0.067 0.000 1.110 256 R CA 1.615 57.639 56.100 -0.127 0.000 0.973 256 R CB -0.325 29.904 30.300 -0.119 0.000 0.869 256 R HN 0.647 nan 8.270 nan 0.000 0.440 257 N N -0.801 117.897 118.700 -0.003 0.000 2.216 257 N HA -0.204 4.541 4.740 0.008 0.000 0.183 257 N C 1.551 177.086 175.510 0.043 0.000 1.017 257 N CA 0.879 53.936 53.050 0.011 0.000 0.861 257 N CB -0.152 38.352 38.487 0.029 0.000 0.986 257 N HN 0.227 nan 8.380 nan 0.000 0.428 258 Y N 0.962 121.260 120.300 -0.004 0.000 2.256 258 Y HA -0.085 4.470 4.550 0.008 0.000 0.288 258 Y C 1.622 177.528 175.900 0.011 0.000 1.155 258 Y CA 1.333 59.443 58.100 0.017 0.000 1.203 258 Y CB -0.252 38.237 38.460 0.049 0.000 0.980 258 Y HN 0.136 nan 8.280 nan 0.000 0.530 259 I N 0.186 120.638 120.570 -0.198 0.000 2.315 259 I HA -0.310 3.865 4.170 0.008 0.000 0.248 259 I C 2.058 178.026 176.117 -0.249 0.000 1.117 259 I CA 1.523 62.660 61.300 -0.270 0.000 1.404 259 I CB -0.375 37.503 38.000 -0.204 0.000 1.071 259 I HN 0.293 nan 8.210 nan 0.000 0.419 260 Q N 0.183 119.875 119.800 -0.179 0.000 2.472 260 Q HA -0.051 4.293 4.340 0.008 0.000 0.208 260 Q C 2.105 178.030 176.000 -0.126 0.000 0.958 260 Q CA 1.220 56.945 55.803 -0.130 0.000 0.932 260 Q CB -0.196 28.488 28.738 -0.091 0.000 1.007 260 Q HN 0.564 nan 8.270 nan 0.000 0.508 261 S N -0.008 115.588 115.700 -0.174 0.000 2.428 261 S HA -0.015 4.460 4.470 0.008 0.000 0.230 261 S C 0.829 175.333 174.600 -0.159 0.000 1.014 261 S CA -0.022 58.090 58.200 -0.145 0.000 0.957 261 S CB -0.055 63.067 63.200 -0.131 0.000 0.784 261 S HN 0.098 nan 8.310 nan 0.000 0.499 262 L N 2.981 124.067 121.223 -0.228 0.000 2.439 262 L HA 0.350 4.695 4.340 0.008 0.000 0.269 262 L C 0.641 177.457 176.870 -0.089 0.000 1.179 262 L CA 0.285 55.027 54.840 -0.163 0.000 0.828 262 L CB -0.090 41.859 42.059 -0.184 0.000 1.106 262 L HN 0.140 nan 8.230 nan 0.000 0.467 263 T N 2.905 117.428 114.554 -0.053 0.000 2.901 263 T HA 0.170 4.525 4.350 0.008 0.000 0.301 263 T C 0.330 175.015 174.700 -0.024 0.000 1.012 263 T CA -0.452 61.629 62.100 -0.031 0.000 1.135 263 T CB 0.263 69.122 68.868 -0.015 0.000 0.936 263 T HN 0.408 nan 8.240 nan 0.000 0.539 264 Q N 2.511 122.299 119.800 -0.020 0.000 2.364 264 Q HA 0.390 4.735 4.340 0.008 0.000 0.267 264 Q C -0.363 175.639 176.000 0.003 0.000 0.999 264 Q CA 0.349 56.145 55.803 -0.012 0.000 0.886 264 Q CB 0.583 29.313 28.738 -0.013 0.000 1.243 264 Q HN 0.549 nan 8.270 nan 0.000 0.415 265 M N 3.094 122.703 119.600 0.015 0.000 2.446 265 M HA 0.430 4.914 4.480 0.008 0.000 0.294 265 M C -2.453 173.871 176.300 0.041 0.000 1.158 265 M CA -2.143 53.175 55.300 0.029 0.000 0.899 265 M CB 2.499 35.122 32.600 0.038 0.000 1.687 265 M HN 0.408 nan 8.290 nan 0.000 0.455 266 P HA 0.159 nan 4.420 nan 0.000 0.278 266 P C -1.155 176.195 177.300 0.085 0.000 1.238 266 P CA -0.458 62.675 63.100 0.055 0.000 0.794 266 P CB 0.731 32.457 31.700 0.044 0.000 0.955 267 K N 2.887 123.347 120.400 0.101 0.000 2.550 267 K HA -0.016 4.309 4.320 0.008 0.000 0.280 267 K C 0.207 176.902 176.600 0.158 0.000 0.987 267 K CA 0.362 56.741 56.287 0.154 0.000 1.048 267 K CB -0.006 32.566 32.500 0.121 0.000 0.879 267 K HN 0.414 nan 8.250 nan 0.000 0.491 268 M N 2.625 122.362 119.600 0.228 0.000 2.197 268 M HA 0.054 4.538 4.480 0.008 0.000 0.305 268 M C 0.674 177.146 176.300 0.286 0.000 1.162 268 M CA -0.490 54.927 55.300 0.196 0.000 1.099 268 M CB 0.381 33.059 32.600 0.131 0.000 1.430 268 M HN 0.559 nan 8.290 nan 0.000 0.481 269 N N 0.771 119.587 118.700 0.194 0.000 2.420 269 N HA 0.036 4.780 4.740 0.008 0.000 0.262 269 N C -0.086 175.612 175.510 0.315 0.000 1.144 269 N CA 0.225 53.396 53.050 0.202 0.000 0.952 269 N CB 0.392 38.940 38.487 0.102 0.000 1.081 269 N HN 0.450 nan 8.380 nan 0.000 0.480 270 F N 2.329 122.315 119.950 0.060 0.000 2.325 270 F HA 0.031 4.563 4.527 0.008 0.000 0.299 270 F C 2.225 178.102 175.800 0.129 0.000 1.090 270 F CA 0.524 58.602 58.000 0.131 0.000 1.392 270 F CB -0.792 38.339 39.000 0.218 0.000 1.053 270 F HN 0.660 nan 8.300 nan 0.000 0.521 271 A N -0.120 122.852 122.820 0.252 0.000 2.015 271 A HA -0.143 4.182 4.320 0.008 0.000 0.219 271 A C 1.905 179.531 177.584 0.071 0.000 1.163 271 A CA 1.538 53.664 52.037 0.148 0.000 0.646 271 A CB -0.528 18.532 19.000 0.100 0.000 0.806 271 A HN 0.287 nan 8.150 nan 0.000 0.448 272 N N -0.579 118.144 118.700 0.038 0.000 2.353 272 N HA 0.058 4.803 4.740 0.008 0.000 0.185 272 N C 1.269 176.706 175.510 -0.121 0.000 1.098 272 N CA 0.850 53.886 53.050 -0.024 0.000 0.872 272 N CB 0.481 38.963 38.487 -0.009 0.000 0.970 272 N HN 0.314 nan 8.380 nan 0.000 0.467 273 V N -0.421 119.353 119.914 -0.232 0.000 2.581 273 V HA 0.117 4.241 4.120 0.008 0.000 0.240 273 V C 0.239 175.938 176.094 -0.658 0.000 1.054 273 V CA 0.751 62.720 62.300 -0.553 0.000 1.076 273 V CB -0.234 31.011 31.823 -0.963 0.000 0.748 273 V HN -0.010 nan 8.190 nan 0.000 0.474 274 F N 1.298 121.192 119.950 -0.093 0.000 2.509 274 F HA 0.468 5.000 4.527 0.008 0.000 0.344 274 F C 0.274 176.051 175.800 -0.039 0.000 1.197 274 F CA -0.814 57.139 58.000 -0.079 0.000 1.294 274 F CB -0.832 38.116 39.000 -0.086 0.000 1.643 274 F HN -0.021 nan 8.300 nan 0.000 0.596 275 I N 1.533 122.126 120.570 0.039 0.000 2.533 275 I HA 0.273 4.448 4.170 0.008 0.000 0.284 275 I C 1.331 177.479 176.117 0.051 0.000 1.109 275 I CA 0.691 62.010 61.300 0.031 0.000 1.412 275 I CB 0.265 38.260 38.000 -0.009 0.000 1.396 275 I HN 0.754 nan 8.210 nan 0.000 0.543 276 G N 4.169 112.999 108.800 0.050 0.000 2.195 276 G HA2 -0.206 3.759 3.960 0.008 0.000 0.246 276 G HA3 -0.206 3.759 3.960 0.008 0.000 0.246 276 G C 0.372 175.304 174.900 0.053 0.000 0.984 276 G CA -0.088 45.039 45.100 0.045 0.000 0.633 276 G HN 0.970 nan 8.290 nan 0.000 0.525 277 A N 0.123 122.983 122.820 0.068 0.000 2.371 277 A HA 0.584 4.909 4.320 0.008 0.000 0.257 277 A C 0.756 178.363 177.584 0.037 0.000 1.089 277 A CA 0.242 52.312 52.037 0.053 0.000 0.794 277 A CB 0.244 19.272 19.000 0.047 0.000 1.029 277 A HN 0.716 nan 8.150 nan 0.000 0.488 278 N N 1.881 120.606 118.700 0.042 0.000 2.132 278 N HA -0.063 4.681 4.740 0.008 0.000 0.280 278 N C -1.646 173.859 175.510 -0.007 0.000 1.318 278 N CA -0.752 52.327 53.050 0.048 0.000 0.822 278 N CB 0.643 39.215 38.487 0.142 0.000 1.058 278 N HN 0.237 nan 8.380 nan 0.000 0.489 279 P HA -0.151 nan 4.420 nan 0.000 0.218 279 P C 1.408 178.699 177.300 -0.015 0.000 1.146 279 P CA 0.630 63.735 63.100 0.008 0.000 0.813 279 P CB 0.340 32.053 31.700 0.023 0.000 0.778 280 L N -0.789 120.431 121.223 -0.005 0.000 2.109 280 L HA -0.003 4.342 4.340 0.008 0.000 0.207 280 L C 2.434 179.135 176.870 -0.283 0.000 1.086 280 L CA 1.558 56.412 54.840 0.022 0.000 0.760 280 L CB -1.975 40.194 42.059 0.182 0.000 0.910 280 L HN -0.095 nan 8.230 nan 0.000 0.437 281 A N -0.782 121.651 122.820 -0.644 0.000 1.883 281 A HA -0.198 4.127 4.320 0.008 0.000 0.217 281 A C 2.415 179.704 177.584 -0.490 0.000 1.186 281 A CA 2.161 53.614 52.037 -0.974 0.000 0.624 281 A CB -1.017 17.501 19.000 -0.804 0.000 0.822 281 A HN 0.204 nan 8.150 nan 0.000 0.444 282 V N 0.455 120.218 119.914 -0.251 0.000 2.332 282 V HA -0.302 3.823 4.120 0.008 0.000 0.248 282 V C 2.338 178.392 176.094 -0.067 0.000 1.055 282 V CA 2.643 64.901 62.300 -0.071 0.000 1.038 282 V CB -0.884 30.976 31.823 0.060 0.000 0.651 282 V HN 0.777 nan 8.190 nan 0.000 0.450 283 D N -0.356 119.996 120.400 -0.081 0.000 2.084 283 D HA -0.198 4.447 4.640 0.008 0.000 0.194 283 D C 1.983 178.237 176.300 -0.077 0.000 0.990 283 D CA 1.365 55.348 54.000 -0.028 0.000 0.826 283 D CB -0.173 40.682 40.800 0.092 0.000 0.971 283 D HN 0.262 nan 8.370 nan 0.000 0.453 284 L N 0.202 121.266 121.223 -0.266 0.000 2.079 284 L HA -0.074 4.271 4.340 0.008 0.000 0.210 284 L C 2.076 178.805 176.870 -0.236 0.000 1.081 284 L CA 1.468 56.039 54.840 -0.448 0.000 0.752 284 L CB -0.529 41.046 42.059 -0.808 0.000 0.896 284 L HN 0.238 nan 8.230 nan 0.000 0.433 285 L N -0.846 120.251 121.223 -0.210 0.000 2.027 285 L HA -0.201 4.144 4.340 0.008 0.000 0.206 285 L C 2.511 179.395 176.870 0.023 0.000 1.074 285 L CA 1.422 56.197 54.840 -0.107 0.000 0.745 285 L CB -0.496 41.468 42.059 -0.158 0.000 0.898 285 L HN 0.330 nan 8.230 nan 0.000 0.433 286 E N 0.035 120.191 120.200 -0.075 0.000 2.219 286 E HA -0.272 4.083 4.350 0.008 0.000 0.198 286 E C 2.000 178.530 176.600 -0.117 0.000 0.998 286 E CA 1.226 57.444 56.400 -0.302 0.000 0.818 286 E CB 0.011 29.454 29.700 -0.427 0.000 0.741 286 E HN 0.481 nan 8.360 nan 0.000 0.477 287 K N -0.375 119.992 120.400 -0.055 0.000 2.262 287 K HA 0.085 4.410 4.320 0.008 0.000 0.200 287 K C 2.007 178.633 176.600 0.042 0.000 1.049 287 K CA 0.518 56.809 56.287 0.006 0.000 0.979 287 K CB 0.159 32.675 32.500 0.027 0.000 0.773 287 K HN 0.101 nan 8.250 nan 0.000 0.474 288 M N 0.141 119.752 119.600 0.019 0.000 2.287 288 M HA -0.022 4.463 4.480 0.008 0.000 0.266 288 M C 0.263 176.600 176.300 0.061 0.000 1.079 288 M CA 0.781 56.104 55.300 0.038 0.000 1.146 288 M CB 0.240 32.823 32.600 -0.029 0.000 1.374 288 M HN -0.024 nan 8.290 nan 0.000 0.435 289 L N 1.514 122.746 121.223 0.016 0.000 2.719 289 L HA 0.278 4.623 4.340 0.008 0.000 0.236 289 L C -0.710 176.332 176.870 0.287 0.000 1.285 289 L CA -0.130 54.666 54.840 -0.072 0.000 1.222 289 L CB -0.246 41.776 42.059 -0.060 0.000 1.493 289 L HN -0.137 nan 8.230 nan 0.000 0.415 290 V N 1.277 121.451 119.914 0.434 0.000 2.448 290 V HA 0.176 4.300 4.120 0.008 0.000 0.295 290 V C 1.085 177.450 176.094 0.452 0.000 1.025 290 V CA -0.561 61.958 62.300 0.366 0.000 0.859 290 V CB 2.285 34.238 31.823 0.217 0.000 0.988 290 V HN 0.338 nan 8.190 nan 0.000 0.431 291 L N 3.088 124.529 121.223 0.363 0.000 2.012 291 L HA -0.026 4.319 4.340 0.008 0.000 0.210 291 L C 1.319 178.319 176.870 0.215 0.000 1.073 291 L CA 1.775 56.775 54.840 0.267 0.000 0.748 291 L CB -0.309 41.892 42.059 0.236 0.000 0.891 291 L HN 0.758 nan 8.230 nan 0.000 0.431 292 D N -1.284 119.225 120.400 0.181 0.000 2.342 292 D HA -0.018 4.627 4.640 0.008 0.000 0.260 292 D C 1.467 177.858 176.300 0.151 0.000 1.278 292 D CA 0.743 54.830 54.000 0.145 0.000 0.910 292 D CB 1.079 41.939 40.800 0.100 0.000 1.079 292 D HN 0.337 nan 8.370 nan 0.000 0.496 293 S N 3.009 118.798 115.700 0.149 0.000 2.399 293 S HA -0.211 4.263 4.470 0.008 0.000 0.231 293 S C 1.299 175.970 174.600 0.117 0.000 1.022 293 S CA 0.868 59.154 58.200 0.143 0.000 0.983 293 S CB -0.015 63.263 63.200 0.131 0.000 0.803 293 S HN 0.429 nan 8.310 nan 0.000 0.480 294 D N 1.998 122.456 120.400 0.097 0.000 2.190 294 D HA -0.073 4.572 4.640 0.008 0.000 0.200 294 D C 1.706 178.052 176.300 0.077 0.000 0.992 294 D CA 1.233 55.279 54.000 0.076 0.000 0.854 294 D CB -0.162 40.674 40.800 0.060 0.000 0.936 294 D HN 0.622 nan 8.370 nan 0.000 0.462 295 K N -0.029 120.425 120.400 0.090 0.000 2.358 295 K HA 0.151 4.475 4.320 0.008 0.000 0.197 295 K C 0.570 177.230 176.600 0.100 0.000 1.025 295 K CA -0.227 56.111 56.287 0.085 0.000 1.104 295 K CB 0.918 33.466 32.500 0.080 0.000 0.855 295 K HN 0.022 nan 8.250 nan 0.000 0.531 296 R N 1.373 121.947 120.500 0.123 0.000 2.643 296 R HA 0.158 4.503 4.340 0.008 0.000 0.270 296 R C 0.373 176.742 176.300 0.115 0.000 1.061 296 R CA -0.222 55.962 56.100 0.139 0.000 1.107 296 R CB 0.596 31.004 30.300 0.179 0.000 0.999 296 R HN 0.087 nan 8.270 nan 0.000 0.460 297 I N 1.586 122.222 120.570 0.110 0.000 2.754 297 I HA -0.063 4.112 4.170 0.008 0.000 0.285 297 I C 0.813 176.999 176.117 0.116 0.000 1.166 297 I CA 0.449 61.813 61.300 0.105 0.000 1.417 297 I CB 0.874 38.935 38.000 0.101 0.000 1.382 297 I HN 0.715 nan 8.210 nan 0.000 0.588 298 T N 3.665 118.286 114.554 0.113 0.000 2.902 298 T HA 0.482 4.836 4.350 0.008 0.000 0.280 298 T C 1.026 175.802 174.700 0.127 0.000 0.992 298 T CA -0.168 62.007 62.100 0.126 0.000 1.015 298 T CB 1.643 70.579 68.868 0.112 0.000 1.044 298 T HN 0.713 nan 8.240 nan 0.000 0.520 299 A N 1.411 124.315 122.820 0.140 0.000 1.883 299 A HA 0.162 4.487 4.320 0.008 0.000 0.217 299 A C 2.699 180.320 177.584 0.062 0.000 1.186 299 A CA 2.046 54.127 52.037 0.073 0.000 0.624 299 A CB -1.651 17.355 19.000 0.011 0.000 0.822 299 A HN 1.346 nan 8.150 nan 0.000 0.444 300 A N -0.715 122.153 122.820 0.080 0.000 1.892 300 A HA -0.296 4.029 4.320 0.008 0.000 0.218 300 A C 2.136 179.779 177.584 0.099 0.000 1.188 300 A CA 2.025 54.114 52.037 0.087 0.000 0.631 300 A CB -0.670 18.385 19.000 0.091 0.000 0.822 300 A HN 0.680 nan 8.150 nan 0.000 0.447 301 Q N -0.962 118.900 119.800 0.103 0.000 2.079 301 Q HA 0.001 4.346 4.340 0.008 0.000 0.200 301 Q C 2.406 178.489 176.000 0.139 0.000 0.974 301 Q CA 1.318 57.187 55.803 0.109 0.000 0.840 301 Q CB -0.368 28.433 28.738 0.105 0.000 0.898 301 Q HN 0.686 nan 8.270 nan 0.000 0.430 302 A N 0.709 123.623 122.820 0.156 0.000 1.972 302 A HA -0.125 4.200 4.320 0.008 0.000 0.219 302 A C 1.988 179.769 177.584 0.329 0.000 1.169 302 A CA 0.938 53.116 52.037 0.235 0.000 0.635 302 A CB -0.560 18.558 19.000 0.197 0.000 0.810 302 A HN 0.296 nan 8.150 nan 0.000 0.446 303 L N -1.082 120.243 121.223 0.170 0.000 2.275 303 L HA -0.124 4.220 4.340 0.008 0.000 0.215 303 L C 2.619 179.447 176.870 -0.071 0.000 1.119 303 L CA 0.839 55.759 54.840 0.134 0.000 0.790 303 L CB -0.301 41.825 42.059 0.111 0.000 0.919 303 L HN 0.422 nan 8.230 nan 0.000 0.443 304 A N -2.225 120.540 122.820 -0.092 0.000 2.251 304 A HA -0.036 4.289 4.320 0.008 0.000 0.209 304 A C 0.877 178.449 177.584 -0.020 0.000 1.187 304 A CA -0.124 51.751 52.037 -0.271 0.000 0.823 304 A CB -0.601 18.358 19.000 -0.068 0.000 0.846 304 A HN 0.294 nan 8.150 nan 0.000 0.486 305 H N -0.106 119.005 119.070 0.069 0.000 2.732 305 H HA 0.341 4.902 4.556 0.008 0.000 0.351 305 H C 1.456 176.820 175.328 0.061 0.000 1.090 305 H CA 0.436 56.531 56.048 0.079 0.000 1.431 305 H CB 1.304 31.130 29.762 0.106 0.000 1.447 305 H HN 0.160 nan 8.280 nan 0.000 0.582 306 A N 4.990 127.709 122.820 -0.168 0.000 1.986 306 A HA -0.278 4.047 4.320 0.008 0.000 0.220 306 A C 1.986 179.644 177.584 0.123 0.000 1.171 306 A CA 1.537 53.559 52.037 -0.025 0.000 0.640 306 A CB -0.978 17.952 19.000 -0.118 0.000 0.811 306 A HN 0.854 nan 8.150 nan 0.000 0.451 307 Y N -0.595 119.771 120.300 0.109 0.000 2.315 307 Y HA -0.172 4.382 4.550 0.008 0.000 0.288 307 Y C 0.913 176.669 175.900 -0.240 0.000 1.154 307 Y CA 1.304 59.299 58.100 -0.175 0.000 1.229 307 Y CB -0.285 37.899 38.460 -0.461 0.000 0.980 307 Y HN 0.305 nan 8.280 nan 0.000 0.540 308 F N -1.121 118.923 119.950 0.157 0.000 2.647 308 F HA 0.406 4.938 4.527 0.008 0.000 0.300 308 F C 1.958 177.788 175.800 0.050 0.000 1.106 308 F CA 0.006 58.063 58.000 0.095 0.000 1.313 308 F CB -0.934 38.230 39.000 0.274 0.000 1.007 308 F HN 0.047 nan 8.300 nan 0.000 0.536 309 A N 0.181 123.078 122.820 0.127 0.000 1.958 309 A HA -0.322 4.002 4.320 0.008 0.000 0.221 309 A C 2.278 179.841 177.584 -0.035 0.000 1.178 309 A CA 2.165 54.247 52.037 0.075 0.000 0.642 309 A CB -0.765 18.248 19.000 0.022 0.000 0.816 309 A HN 0.485 nan 8.150 nan 0.000 0.453 310 Q N -2.484 117.204 119.800 -0.187 0.000 2.234 310 Q HA -0.212 4.133 4.340 0.008 0.000 0.206 310 Q C 1.163 176.802 176.000 -0.603 0.000 0.980 310 Q CA 2.056 57.579 55.803 -0.466 0.000 0.869 310 Q CB -0.131 28.160 28.738 -0.745 0.000 0.912 310 Q HN 0.813 nan 8.270 nan 0.000 0.436 311 Y N -2.230 117.980 120.300 -0.150 0.000 2.585 311 Y HA 0.168 4.723 4.550 0.008 0.000 0.272 311 Y C 0.507 176.178 175.900 -0.381 0.000 1.119 311 Y CA -0.421 57.443 58.100 -0.393 0.000 1.255 311 Y CB -0.060 37.925 38.460 -0.792 0.000 1.284 311 Y HN 0.111 nan 8.280 nan 0.000 0.499 312 H N 2.089 121.114 119.070 -0.075 0.000 3.125 312 H HA 0.015 4.576 4.556 0.008 0.000 0.310 312 H C -0.922 174.468 175.328 0.104 0.000 0.980 312 H CA 0.793 56.923 56.048 0.136 0.000 1.422 312 H CB 0.483 30.373 29.762 0.213 0.000 1.432 312 H HN 0.168 nan 8.280 nan 0.000 0.577 313 D N 7.481 127.798 120.400 -0.138 0.000 2.479 313 D HA 0.160 4.805 4.640 0.008 0.000 0.246 313 D C -1.968 174.187 176.300 -0.243 0.000 1.336 313 D CA -2.109 51.761 54.000 -0.216 0.000 0.967 313 D CB 1.743 42.522 40.800 -0.035 0.000 1.275 313 D HN 0.293 nan 8.370 nan 0.000 0.577 314 P HA -0.019 nan 4.420 nan 0.000 0.226 314 P C 0.255 177.546 177.300 -0.014 0.000 1.153 314 P CA 0.652 63.670 63.100 -0.137 0.000 0.777 314 P CB 0.555 32.206 31.700 -0.081 0.000 0.794 315 D N -0.718 119.668 120.400 -0.023 0.000 2.339 315 D HA -0.020 4.625 4.640 0.008 0.000 0.217 315 D C 0.406 176.722 176.300 0.027 0.000 1.050 315 D CA 0.689 54.696 54.000 0.011 0.000 0.856 315 D CB -0.020 40.782 40.800 0.003 0.000 0.922 315 D HN 0.144 nan 8.370 nan 0.000 0.518 316 D N 0.567 120.990 120.400 0.038 0.000 2.804 316 D HA 0.079 4.724 4.640 0.008 0.000 0.308 316 D C -0.639 175.720 176.300 0.099 0.000 1.371 316 D CA -0.116 53.919 54.000 0.058 0.000 0.823 316 D CB 0.095 40.927 40.800 0.054 0.000 1.126 316 D HN -0.069 nan 8.370 nan 0.000 0.467 317 E N 1.600 121.867 120.200 0.112 0.000 3.303 317 E HA 0.231 4.586 4.350 0.008 0.000 0.215 317 E C -2.342 174.355 176.600 0.161 0.000 1.181 317 E CA -1.586 54.901 56.400 0.145 0.000 0.998 317 E CB 1.488 31.280 29.700 0.153 0.000 1.312 317 E HN 0.219 nan 8.360 nan 0.000 0.412 318 P HA 0.035 nan 4.420 nan 0.000 0.274 318 P C 0.070 177.536 177.300 0.277 0.000 1.231 318 P CA -0.351 62.883 63.100 0.223 0.000 0.790 318 P CB 1.105 32.944 31.700 0.232 0.000 0.951 319 V N -1.288 118.742 119.914 0.194 0.000 3.109 319 V HA 0.815 4.940 4.120 0.008 0.000 0.317 319 V C 0.099 176.219 176.094 0.044 0.000 1.074 319 V CA -1.167 61.191 62.300 0.096 0.000 1.033 319 V CB 0.689 32.537 31.823 0.041 0.000 1.111 319 V HN 0.719 nan 8.190 nan 0.000 0.458 320 A N 1.275 123.897 122.820 -0.329 0.000 2.340 320 A HA 0.512 4.837 4.320 0.008 0.000 0.268 320 A C 0.010 177.554 177.584 -0.067 0.000 1.100 320 A CA -0.493 51.245 52.037 -0.498 0.000 0.803 320 A CB -0.158 18.316 19.000 -0.877 0.000 1.043 320 A HN 0.973 nan 8.150 nan 0.000 0.488 321 D N 1.632 122.048 120.400 0.026 0.000 2.390 321 D HA 0.269 4.914 4.640 0.008 0.000 0.236 321 D C -2.261 174.194 176.300 0.258 0.000 1.189 321 D CA -0.490 53.583 54.000 0.122 0.000 0.887 321 D CB -0.111 40.746 40.800 0.095 0.000 1.198 321 D HN 0.233 nan 8.370 nan 0.000 0.444 322 P HA -0.017 nan 4.420 nan 0.000 0.265 322 P C -0.804 176.631 177.300 0.225 0.000 1.193 322 P CA 0.205 63.402 63.100 0.162 0.000 0.765 322 P CB 0.085 31.847 31.700 0.103 0.000 0.823 323 Y N 2.859 123.098 120.300 -0.102 0.000 2.338 323 Y HA 0.292 4.847 4.550 0.008 0.000 0.328 323 Y C -0.449 175.384 175.900 -0.111 0.000 0.965 323 Y CA -1.418 56.486 58.100 -0.327 0.000 1.208 323 Y CB 0.786 38.824 38.460 -0.705 0.000 1.132 323 Y HN 0.255 nan 8.280 nan 0.000 0.469 324 D N 5.236 125.433 120.400 -0.338 0.000 2.352 324 D HA 0.080 4.725 4.640 0.008 0.000 0.245 324 D C -0.242 175.793 176.300 -0.441 0.000 1.224 324 D CA 0.366 54.206 54.000 -0.267 0.000 0.879 324 D CB 0.914 41.674 40.800 -0.067 0.000 1.057 324 D HN 0.835 nan 8.370 nan 0.000 0.491 325 Q N 1.673 121.218 119.800 -0.426 0.000 2.189 325 Q HA 0.030 4.375 4.340 0.008 0.000 0.221 325 Q C 1.604 177.414 176.000 -0.316 0.000 0.848 325 Q CA -0.218 55.333 55.803 -0.421 0.000 1.007 325 Q CB 0.483 28.962 28.738 -0.432 0.000 1.116 325 Q HN 0.531 nan 8.270 nan 0.000 0.481 326 S N 0.002 115.645 115.700 -0.095 0.000 2.419 326 S HA -0.203 4.272 4.470 0.008 0.000 0.233 326 S C 1.689 176.295 174.600 0.010 0.000 1.016 326 S CA 0.865 59.038 58.200 -0.045 0.000 0.974 326 S CB -0.669 62.541 63.200 0.016 0.000 0.786 326 S HN 0.617 nan 8.310 nan 0.000 0.492 327 F N 2.314 122.327 119.950 0.105 0.000 2.250 327 F HA 0.054 4.586 4.527 0.008 0.000 0.301 327 F C 2.009 177.976 175.800 0.278 0.000 1.077 327 F CA 1.119 59.274 58.000 0.258 0.000 1.348 327 F CB -0.748 38.535 39.000 0.471 0.000 1.040 327 F HN 0.080 nan 8.300 nan 0.000 0.509 328 E N 0.861 120.685 120.200 -0.627 0.000 2.204 328 E HA -0.122 4.233 4.350 0.008 0.000 0.195 328 E C 2.069 178.608 176.600 -0.103 0.000 0.990 328 E CA 1.277 57.416 56.400 -0.435 0.000 0.821 328 E CB -0.385 28.983 29.700 -0.554 0.000 0.750 328 E HN 0.531 nan 8.360 nan 0.000 0.477 329 S N 0.542 116.210 115.700 -0.053 0.000 2.593 329 S HA 0.029 4.504 4.470 0.008 0.000 0.217 329 S C 0.946 175.591 174.600 0.075 0.000 0.966 329 S CA -0.141 58.063 58.200 0.007 0.000 0.914 329 S CB 0.197 63.390 63.200 -0.012 0.000 0.776 329 S HN 0.034 nan 8.310 nan 0.000 0.523 330 R N 2.274 122.874 120.500 0.166 0.000 2.297 330 R HA 0.295 4.640 4.340 0.008 0.000 0.308 330 R C -1.645 174.796 176.300 0.236 0.000 1.029 330 R CA -0.215 55.986 56.100 0.169 0.000 0.929 330 R CB 0.378 30.799 30.300 0.201 0.000 1.046 330 R HN -0.090 nan 8.270 nan 0.000 0.461 331 D N 4.155 124.618 120.400 0.104 0.000 2.280 331 D HA 0.420 5.065 4.640 0.008 0.000 0.236 331 D C -0.539 175.733 176.300 -0.046 0.000 1.082 331 D CA -0.043 54.023 54.000 0.110 0.000 0.834 331 D CB 0.985 41.829 40.800 0.073 0.000 1.100 331 D HN 0.320 nan 8.370 nan 0.000 0.486 332 L N 0.897 122.069 121.223 -0.085 0.000 2.502 332 L HA 0.509 4.854 4.340 0.008 0.000 0.253 332 L C -0.576 176.188 176.870 -0.177 0.000 1.070 332 L CA -1.114 53.500 54.840 -0.377 0.000 0.871 332 L CB 1.372 42.758 42.059 -1.120 0.000 1.487 332 L HN 0.058 nan 8.230 nan 0.000 0.408 333 L N 0.651 121.752 121.223 -0.203 0.000 2.421 333 L HA 0.350 4.695 4.340 0.008 0.000 0.263 333 L C 1.215 178.109 176.870 0.039 0.000 1.122 333 L CA -0.418 54.397 54.840 -0.042 0.000 0.804 333 L CB 0.982 43.005 42.059 -0.061 0.000 1.150 333 L HN 0.529 nan 8.230 nan 0.000 0.457 334 I N 0.603 121.257 120.570 0.139 0.000 2.145 334 I HA -0.344 3.831 4.170 0.008 0.000 0.244 334 I C 1.614 177.778 176.117 0.080 0.000 1.075 334 I CA 1.894 63.309 61.300 0.192 0.000 1.332 334 I CB -0.246 37.833 38.000 0.132 0.000 1.033 334 I HN 0.786 nan 8.210 nan 0.000 0.410 335 D N 0.198 120.590 120.400 -0.013 0.000 2.178 335 D HA -0.167 4.478 4.640 0.008 0.000 0.201 335 D C 2.023 178.263 176.300 -0.101 0.000 0.980 335 D CA 1.004 54.959 54.000 -0.076 0.000 0.842 335 D CB -0.157 40.600 40.800 -0.071 0.000 0.948 335 D HN 0.453 nan 8.370 nan 0.000 0.472 336 E N -0.303 119.815 120.200 -0.138 0.000 2.046 336 E HA -0.100 4.255 4.350 0.008 0.000 0.190 336 E C 1.806 178.268 176.600 -0.230 0.000 0.982 336 E CA 0.580 56.839 56.400 -0.235 0.000 0.800 336 E CB -0.202 29.276 29.700 -0.369 0.000 0.756 336 E HN 0.432 nan 8.360 nan 0.000 0.449 337 W N 1.865 123.097 121.300 -0.113 0.000 2.342 337 W HA -0.175 4.490 4.660 0.008 0.000 0.297 337 W C 2.479 178.946 176.519 -0.088 0.000 1.213 337 W CA 0.746 58.015 57.345 -0.126 0.000 1.251 337 W CB 0.038 29.501 29.460 0.006 0.000 1.136 337 W HN 0.023 nan 8.180 nan 0.000 0.526 338 K N 0.189 120.607 120.400 0.029 0.000 2.057 338 K HA -0.212 4.113 4.320 0.008 0.000 0.207 338 K C 2.308 178.919 176.600 0.019 0.000 1.049 338 K CA 1.743 57.849 56.287 -0.302 0.000 0.931 338 K CB -0.461 31.648 32.500 -0.652 0.000 0.714 338 K HN 0.032 nan 8.250 nan 0.000 0.440 339 S N 0.202 115.906 115.700 0.007 0.000 2.387 339 S HA -0.073 4.402 4.470 0.008 0.000 0.226 339 S C 1.939 176.600 174.600 0.101 0.000 1.026 339 S CA 0.487 58.725 58.200 0.063 0.000 0.972 339 S CB -0.178 63.018 63.200 -0.007 0.000 0.814 339 S HN 0.255 nan 8.310 nan 0.000 0.477 340 L N 1.952 123.194 121.223 0.033 0.000 2.013 340 L HA -0.080 4.265 4.340 0.008 0.000 0.212 340 L C 2.737 179.783 176.870 0.293 0.000 1.073 340 L CA 2.221 57.088 54.840 0.045 0.000 0.753 340 L CB -1.766 40.094 42.059 -0.330 0.000 0.890 340 L HN 0.350 nan 8.230 nan 0.000 0.432 341 T N -1.986 112.810 114.554 0.403 0.000 2.708 341 T HA -0.265 4.090 4.350 0.008 0.000 0.266 341 T C 1.759 176.648 174.700 0.315 0.000 1.037 341 T CA 1.568 63.985 62.100 0.529 0.000 1.146 341 T CB -0.551 68.755 68.868 0.729 0.000 0.865 341 T HN 0.259 nan 8.240 nan 0.000 0.435 342 Y N 2.576 122.896 120.300 0.033 0.000 2.114 342 Y HA -0.217 4.338 4.550 0.007 0.000 0.282 342 Y C 2.078 177.887 175.900 -0.153 0.000 1.165 342 Y CA 1.443 59.321 58.100 -0.370 0.000 1.148 342 Y CB -0.581 37.608 38.460 -0.452 0.000 0.972 342 Y HN 0.198 nan 8.280 nan 0.000 0.504 343 D N -0.191 120.181 120.400 -0.045 0.000 2.144 343 D HA -0.165 4.480 4.640 0.008 0.000 0.199 343 D C 1.999 178.271 176.300 -0.046 0.000 0.984 343 D CA 1.426 55.383 54.000 -0.072 0.000 0.834 343 D CB -0.168 40.652 40.800 0.033 0.000 0.955 343 D HN 0.473 nan 8.370 nan 0.000 0.465 344 E N 0.529 120.755 120.200 0.043 0.000 2.107 344 E HA -0.072 4.283 4.350 0.008 0.000 0.191 344 E C 2.490 179.115 176.600 0.040 0.000 0.982 344 E CA 0.207 56.647 56.400 0.067 0.000 0.809 344 E CB -0.109 29.650 29.700 0.098 0.000 0.756 344 E HN 0.167 nan 8.360 nan 0.000 0.459 345 V N 1.963 121.858 119.914 -0.031 0.000 2.261 345 V HA -0.251 3.874 4.120 0.008 0.000 0.246 345 V C 2.385 178.443 176.094 -0.060 0.000 1.047 345 V CA 1.343 63.611 62.300 -0.052 0.000 1.015 345 V CB -0.429 31.317 31.823 -0.129 0.000 0.642 345 V HN 0.204 nan 8.190 nan 0.000 0.446 346 I N 1.400 121.825 120.570 -0.242 0.000 2.361 346 I HA -0.153 4.021 4.170 0.008 0.000 0.251 346 I C 2.505 178.589 176.117 -0.054 0.000 1.133 346 I CA 2.181 63.357 61.300 -0.207 0.000 1.413 346 I CB -1.376 36.389 38.000 -0.391 0.000 1.073 346 I HN 0.559 nan 8.210 nan 0.000 0.424 347 S N -0.193 115.496 115.700 -0.018 0.000 2.562 347 S HA -0.025 4.450 4.470 0.008 0.000 0.221 347 S C 0.816 175.463 174.600 0.078 0.000 0.975 347 S CA -0.443 57.771 58.200 0.023 0.000 0.918 347 S CB -0.867 62.346 63.200 0.022 0.000 0.772 347 S HN 0.225 nan 8.310 nan 0.000 0.531 348 F N 3.366 123.307 119.950 -0.014 0.000 2.608 348 F HA 0.351 4.883 4.527 0.008 0.000 0.380 348 F C -0.341 175.467 175.800 0.013 0.000 1.083 348 F CA -0.355 57.650 58.000 0.009 0.000 1.266 348 F CB 0.539 39.554 39.000 0.025 0.000 1.076 348 F HN -0.065 nan 8.300 nan 0.000 0.574 349 V N 8.136 127.560 119.914 -0.817 0.000 2.384 349 V HA 0.363 4.488 4.120 0.008 0.000 0.287 349 V C -2.068 173.317 176.094 -1.182 0.000 1.020 349 V CA -1.832 60.041 62.300 -0.710 0.000 0.850 349 V CB 1.238 32.843 31.823 -0.363 0.000 0.987 349 V HN 0.660 nan 8.190 nan 0.000 0.436 350 P HA 0.337 nan 4.420 nan 0.000 0.274 350 P C -2.563 174.614 177.300 -0.204 0.000 1.231 350 P CA -1.399 61.475 63.100 -0.376 0.000 0.790 350 P CB -0.149 31.562 31.700 0.019 0.000 0.951 351 P HA 0.241 nan 4.420 nan 0.000 0.274 351 P C -2.403 174.882 177.300 -0.025 0.000 1.231 351 P CA -1.467 61.609 63.100 -0.039 0.000 0.790 351 P CB -1.075 30.640 31.700 0.025 0.000 0.951 352 P HA -0.067 nan 4.420 nan 0.000 0.260 352 P C -0.279 177.016 177.300 -0.008 0.000 1.147 352 P CA 0.534 63.621 63.100 -0.022 0.000 0.758 352 P CB -0.033 31.655 31.700 -0.019 0.000 0.744 353 L N 4.861 126.076 121.223 -0.013 0.000 2.361 353 L HA 0.197 4.542 4.340 0.008 0.000 0.278 353 L C 1.025 177.893 176.870 -0.004 0.000 1.113 353 L CA 0.795 55.629 54.840 -0.009 0.000 0.849 353 L CB -0.127 41.922 42.059 -0.018 0.000 1.155 353 L HN 0.546 nan 8.230 nan 0.000 0.452 354 D N 1.587 121.990 120.400 0.005 0.000 4.378 354 D HA 0.724 5.369 4.640 0.008 0.000 0.318 354 D C -0.179 176.144 176.300 0.037 0.000 1.651 354 D CA -0.016 53.995 54.000 0.018 0.000 0.976 354 D CB 0.479 41.280 40.800 0.003 0.000 1.451 354 D HN 0.424 nan 8.370 nan 0.000 0.665 355 Q N 0.000 119.833 119.800 0.055 0.000 2.315 355 Q HA 0.000 4.345 4.340 0.008 0.000 0.214 355 Q CA 0.000 nan 55.803 nan 0.000 1.022 355 Q CB 0.000 nan 28.738 nan 0.000 1.108 355 Q HN 0.000 nan 8.270 nan 0.000 0.481