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 2cja_1_A DATA FIRST_RESID -2 DATA SEQUENCE SHXXKLQFNL KAYFKXXXXX XXXKDAIAAL FEEANSTLLT RGAPEGQGAK DATA SEQUENCE VTEWKLXXXR IELTLQSGRY VRVHDAIFRL RKQLAEALGK KYKIGIRGIE DATA SEQUENCE VESFIIKVPA DHELRXLKVP YIKSXENIEG GIQLELEVGE AEXKNRVPDR DATA SEQUENCE ILTLLEEKIE AAQYGAKAEH WNLLWQREPX EHPFKEDPTQ AXXKEGWLKR DATA SEQUENCE GSSRGQWIHG PQSARIFRTF EKIVLEELLE PLGYREXIFP KLVTWEVWXK DATA SEQUENCE SGHAKGVYPE IYYVCPPQTR DPDYWEEVAD YYKVTHEVPT KLIKEKIAEP DATA SEQUENCE IGGXCYAQCP PFWXYVAGET LPNEEIPVKV FDRSGTSHRY ESGGIHGIER DATA SEQUENCE VDEFHRIEIV WIGTKEEVLK CAEELHDRYX HIFNDILDIE WRKARVXXXX DATA SEQUENCE XXXXXXXXXX XXNTVGTTDY EACLPYRGPD GEWLEFQNVS INGDKYPKGF DATA SEQUENCE NVKLQSGDEL WSGCSGVGLE RWAAVFLAQK GLDPANWPEE FRNRVGEXPK DATA SEQUENCE GIRFL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.678 174.600 0.130 0.000 1.055 -2 S CA 0.000 58.236 58.200 0.061 0.000 1.107 -2 S CB 0.000 63.217 63.200 0.028 0.000 0.593 3 L N 3.556 124.725 121.223 -0.089 0.000 2.559 3 L HA 0.045 4.385 4.340 0.000 0.000 0.274 3 L C -0.428 176.416 176.870 -0.044 0.000 1.205 3 L CA 1.032 55.828 54.840 -0.074 0.000 0.907 3 L CB 0.393 42.423 42.059 -0.047 0.000 1.153 3 L HN 0.633 nan 8.230 nan 0.000 0.490 4 Q N 3.876 123.620 119.800 -0.093 0.000 2.305 4 Q HA 0.409 4.750 4.340 0.000 0.000 0.271 4 Q C -1.774 174.142 176.000 -0.140 0.000 1.046 4 Q CA -0.659 55.115 55.803 -0.048 0.000 0.798 4 Q CB 1.772 30.480 28.738 -0.050 0.000 1.286 4 Q HN 0.529 nan 8.270 nan 0.000 0.435 5 F N 2.218 122.142 119.950 -0.044 0.000 2.443 5 F HA 0.507 5.034 4.527 0.000 0.000 0.335 5 F C -0.372 175.337 175.800 -0.151 0.000 1.104 5 F CA -0.501 57.458 58.000 -0.069 0.000 1.013 5 F CB 1.768 40.724 39.000 -0.074 0.000 1.136 5 F HN 0.516 nan 8.300 nan 0.000 0.470 6 N N 3.235 121.888 118.700 -0.078 0.000 2.371 6 N HA 0.632 5.372 4.740 0.000 0.000 0.291 6 N C -1.991 173.318 175.510 -0.334 0.000 1.053 6 N CA -0.590 52.370 53.050 -0.151 0.000 0.870 6 N CB 2.391 40.824 38.487 -0.090 0.000 1.503 6 N HN 0.436 nan 8.380 nan 0.000 0.485 7 L N 0.666 121.708 121.223 -0.301 0.000 2.464 7 L HA 0.596 4.936 4.340 0.000 0.000 0.266 7 L C -1.439 175.328 176.870 -0.173 0.000 0.965 7 L CA -0.422 54.209 54.840 -0.349 0.000 0.833 7 L CB 1.755 43.528 42.059 -0.477 0.000 1.296 7 L HN 0.452 nan 8.230 nan 0.000 0.405 8 K N 4.230 124.560 120.400 -0.117 0.000 2.413 8 K HA 0.918 5.238 4.320 0.000 0.000 0.257 8 K C -1.588 174.970 176.600 -0.071 0.000 0.946 8 K CA -0.257 55.984 56.287 -0.078 0.000 0.823 8 K CB 1.613 34.085 32.500 -0.047 0.000 1.109 8 K HN 0.894 nan 8.250 nan 0.000 0.427 9 A N 2.979 125.738 122.820 -0.102 0.000 2.599 9 A HA 0.622 4.942 4.320 0.000 0.000 0.290 9 A C -2.126 175.371 177.584 -0.146 0.000 1.101 9 A CA -0.826 51.117 52.037 -0.156 0.000 0.674 9 A CB 0.867 19.702 19.000 -0.275 0.000 1.277 9 A HN 0.724 nan 8.150 nan 0.000 0.419 10 Y N -1.692 118.444 120.300 -0.273 0.000 2.545 10 Y HA 0.835 5.385 4.550 0.000 0.000 0.348 10 Y C -1.393 174.316 175.900 -0.318 0.000 1.002 10 Y CA -1.874 56.076 58.100 -0.250 0.000 1.039 10 Y CB 0.934 39.318 38.460 -0.125 0.000 1.271 10 Y HN 0.440 nan 8.280 nan 0.000 0.467 11 F N 2.786 122.795 119.950 0.099 0.000 2.420 11 F HA 0.480 5.007 4.527 0.000 0.000 0.352 11 F C 0.591 176.491 175.800 0.167 0.000 1.108 11 F CA -0.342 57.686 58.000 0.046 0.000 1.162 11 F CB 1.271 40.300 39.000 0.048 0.000 1.118 11 F HN 0.554 nan 8.300 nan 0.000 0.510 22 D N 1.526 121.945 120.400 0.032 0.000 2.137 22 D HA 0.028 4.668 4.640 0.000 0.000 0.202 22 D C 1.730 178.040 176.300 0.016 0.000 0.970 22 D CA 1.329 55.336 54.000 0.013 0.000 0.837 22 D CB 0.219 41.036 40.800 0.029 0.000 0.981 22 D HN 0.266 nan 8.370 nan 0.000 0.475 23 A N 0.780 123.629 122.820 0.050 0.000 2.014 23 A HA -0.059 4.261 4.320 0.000 0.000 0.218 23 A C 2.218 179.833 177.584 0.053 0.000 1.163 23 A CA 0.656 52.728 52.037 0.058 0.000 0.652 23 A CB -0.507 18.559 19.000 0.111 0.000 0.808 23 A HN 0.190 nan 8.150 nan 0.000 0.449 24 I N -0.686 119.937 120.570 0.089 0.000 2.876 24 I HA -0.066 4.104 4.170 0.000 0.000 0.264 24 I C 2.701 178.931 176.117 0.188 0.000 1.204 24 I CA 0.647 62.064 61.300 0.195 0.000 1.485 24 I CB -0.211 37.995 38.000 0.344 0.000 1.103 24 I HN 0.286 nan 8.210 nan 0.000 0.446 25 A N 1.214 124.018 122.820 -0.028 0.000 1.873 25 A HA -0.046 4.274 4.320 0.000 0.000 0.215 25 A C 2.501 180.001 177.584 -0.140 0.000 1.186 25 A CA 1.698 53.570 52.037 -0.275 0.000 0.616 25 A CB -0.668 18.142 19.000 -0.316 0.000 0.823 25 A HN 0.389 nan 8.150 nan 0.000 0.442 26 A N -0.892 121.889 122.820 -0.066 0.000 2.119 26 A HA 0.176 4.496 4.320 0.000 0.000 0.216 26 A C 2.054 179.619 177.584 -0.032 0.000 1.152 26 A CA 1.060 53.069 52.037 -0.046 0.000 0.708 26 A CB -0.484 18.495 19.000 -0.035 0.000 0.805 26 A HN 0.532 nan 8.150 nan 0.000 0.460 27 L N -1.943 119.264 121.223 -0.027 0.000 2.093 27 L HA -0.056 4.284 4.340 0.000 0.000 0.208 27 L C 2.014 178.771 176.870 -0.189 0.000 1.085 27 L CA 1.489 56.257 54.840 -0.119 0.000 0.755 27 L CB -0.190 41.765 42.059 -0.174 0.000 0.904 27 L HN 0.417 nan 8.230 nan 0.000 0.435 28 F N -0.296 119.632 119.950 -0.037 0.000 2.512 28 F HA -0.034 4.493 4.527 0.000 0.000 0.296 28 F C 2.333 178.111 175.800 -0.037 0.000 1.110 28 F CA 0.607 58.599 58.000 -0.012 0.000 1.446 28 F CB -0.063 38.943 39.000 0.009 0.000 1.092 28 F HN 0.079 nan 8.300 nan 0.000 0.554 29 E N -0.002 120.245 120.200 0.078 0.000 2.152 29 E HA -0.138 4.212 4.350 0.000 0.000 0.192 29 E C 1.964 178.570 176.600 0.010 0.000 0.983 29 E CA 0.764 57.179 56.400 0.026 0.000 0.818 29 E CB -0.036 29.656 29.700 -0.014 0.000 0.758 29 E HN 0.358 nan 8.360 nan 0.000 0.467 30 E N 0.512 120.705 120.200 -0.011 0.000 2.112 30 E HA -0.076 4.274 4.350 0.000 0.000 0.190 30 E C 2.067 178.654 176.600 -0.023 0.000 0.979 30 E CA 0.697 57.084 56.400 -0.023 0.000 0.814 30 E CB -0.020 29.657 29.700 -0.039 0.000 0.762 30 E HN 0.171 nan 8.360 nan 0.000 0.460 31 A N 1.779 124.578 122.820 -0.036 0.000 1.972 31 A HA -0.190 4.130 4.320 0.000 0.000 0.219 31 A C 1.777 179.367 177.584 0.010 0.000 1.169 31 A CA 1.481 53.496 52.037 -0.036 0.000 0.635 31 A CB -0.462 18.484 19.000 -0.090 0.000 0.810 31 A HN 0.141 nan 8.150 nan 0.000 0.446 32 N N -0.060 118.662 118.700 0.037 0.000 2.512 32 N HA -0.062 4.678 4.740 0.000 0.000 0.183 32 N C 1.605 177.130 175.510 0.024 0.000 1.073 32 N CA 1.415 54.491 53.050 0.043 0.000 0.911 32 N CB -0.001 38.520 38.487 0.057 0.000 0.964 32 N HN 0.649 nan 8.380 nan 0.000 0.447 33 S N -2.615 113.093 115.700 0.013 0.000 2.575 33 S HA 0.092 4.562 4.470 0.000 0.000 0.230 33 S C 1.661 176.262 174.600 0.001 0.000 1.062 33 S CA 0.549 58.753 58.200 0.007 0.000 0.913 33 S CB -0.005 63.198 63.200 0.004 0.000 0.837 33 S HN 0.328 nan 8.310 nan 0.000 0.487 34 T N -0.125 114.427 114.554 -0.004 0.000 3.182 34 T HA 0.332 4.682 4.350 0.000 0.000 0.244 34 T C 1.572 176.267 174.700 -0.009 0.000 0.981 34 T CA 0.385 62.480 62.100 -0.008 0.000 1.182 34 T CB -0.798 68.062 68.868 -0.014 0.000 1.043 34 T HN 0.145 nan 8.240 nan 0.000 0.424 35 L N 1.044 122.259 121.223 -0.014 0.000 2.023 35 L HA 0.431 4.772 4.340 0.000 0.000 0.205 35 L C 1.568 178.436 176.870 -0.003 0.000 1.073 35 L CA 1.505 56.337 54.840 -0.014 0.000 0.745 35 L CB -0.451 41.590 42.059 -0.030 0.000 0.900 35 L HN 0.282 nan 8.230 nan 0.000 0.435 36 L N -0.255 120.969 121.223 0.002 0.000 2.779 36 L HA 0.114 4.454 4.340 0.000 0.000 0.239 36 L C 1.134 178.012 176.870 0.014 0.000 1.245 36 L CA 0.539 55.385 54.840 0.011 0.000 1.064 36 L CB -0.981 41.090 42.059 0.020 0.000 1.350 36 L HN 0.433 nan 8.230 nan 0.000 0.455 37 T N -4.218 110.342 114.554 0.010 0.000 2.964 37 T HA 0.063 4.413 4.350 0.000 0.000 0.249 37 T C 0.988 175.692 174.700 0.007 0.000 1.000 37 T CA -0.527 61.580 62.100 0.011 0.000 0.992 37 T CB 0.072 68.944 68.868 0.007 0.000 1.087 37 T HN 0.343 nan 8.240 nan 0.000 0.489 38 R N 1.561 122.063 120.500 0.003 0.000 2.489 38 R HA 0.522 4.863 4.340 0.000 0.000 0.287 38 R C 1.215 177.516 176.300 0.001 0.000 1.053 38 R CA 0.461 56.560 56.100 -0.002 0.000 1.036 38 R CB -0.022 30.277 30.300 -0.002 0.000 0.966 38 R HN 0.393 nan 8.270 nan 0.000 0.432 39 G N 1.388 110.182 108.800 -0.011 0.000 2.339 39 G HA2 -0.258 3.702 3.960 0.000 0.000 0.209 39 G HA3 -0.258 3.702 3.960 0.000 0.000 0.209 39 G C 0.114 174.984 174.900 -0.050 0.000 1.015 39 G CA -0.168 44.923 45.100 -0.014 0.000 0.635 39 G HN 0.983 nan 8.290 nan 0.000 0.499 40 A N 1.305 124.108 122.820 -0.027 0.000 2.366 40 A HA 0.720 5.040 4.320 0.000 0.000 0.272 40 A C -0.279 177.248 177.584 -0.095 0.000 1.135 40 A CA -0.177 51.829 52.037 -0.050 0.000 0.804 40 A CB 0.705 19.727 19.000 0.036 0.000 1.064 40 A HN 0.166 nan 8.150 nan 0.000 0.499 41 P HA -0.024 nan 4.420 nan 0.000 0.215 41 P C 0.302 177.567 177.300 -0.060 0.000 1.157 41 P CA 1.229 64.251 63.100 -0.130 0.000 0.856 41 P CB 0.279 31.866 31.700 -0.188 0.000 0.786 42 E N -1.329 118.852 120.200 -0.032 0.000 2.989 42 E HA 0.411 4.761 4.350 0.000 0.000 0.207 42 E C 0.024 176.633 176.600 0.015 0.000 0.989 42 E CA -0.110 56.288 56.400 -0.003 0.000 1.186 42 E CB -0.018 29.688 29.700 0.009 0.000 1.141 42 E HN 0.118 nan 8.360 nan 0.000 0.454 43 G N 1.920 110.728 108.800 0.014 0.000 2.248 43 G HA2 -0.309 3.651 3.960 0.000 0.000 0.263 43 G HA3 -0.309 3.651 3.960 0.000 0.000 0.263 43 G C 0.427 175.352 174.900 0.042 0.000 1.082 43 G CA -0.057 45.057 45.100 0.023 0.000 0.863 43 G HN 0.252 nan 8.290 nan 0.000 0.495 44 Q N -0.274 119.564 119.800 0.064 0.000 2.220 44 Q HA 0.408 4.748 4.340 0.000 0.000 0.205 44 Q C 1.841 177.892 176.000 0.085 0.000 0.865 44 Q CA 0.492 56.352 55.803 0.094 0.000 0.960 44 Q CB 0.594 29.434 28.738 0.170 0.000 1.097 44 Q HN 0.794 nan 8.270 nan 0.000 0.493 45 G N 0.189 109.025 108.800 0.060 0.000 2.699 45 G HA2 0.343 4.303 3.960 0.000 0.000 0.246 45 G HA3 0.343 4.303 3.960 0.000 0.000 0.246 45 G C -0.222 174.698 174.900 0.033 0.000 1.219 45 G CA -0.076 45.051 45.100 0.045 0.000 0.866 45 G HN 0.370 nan 8.290 nan 0.000 0.572 46 A N 0.398 123.230 122.820 0.018 0.000 2.445 46 A HA 0.585 4.905 4.320 0.000 0.000 0.242 46 A C 0.543 178.145 177.584 0.030 0.000 1.075 46 A CA 0.117 52.160 52.037 0.011 0.000 0.777 46 A CB 0.248 19.241 19.000 -0.012 0.000 1.013 46 A HN 0.890 nan 8.150 nan 0.000 0.493 47 K N 0.767 121.188 120.400 0.036 0.000 2.523 47 K HA 0.604 4.924 4.320 0.000 0.000 0.257 47 K C -1.637 175.002 176.600 0.065 0.000 0.932 47 K CA -0.830 55.490 56.287 0.055 0.000 0.812 47 K CB 1.575 34.102 32.500 0.044 0.000 1.326 47 K HN 0.252 nan 8.250 nan 0.000 0.433 48 V N 2.140 122.117 119.914 0.105 0.000 2.509 48 V HA 0.207 4.327 4.120 0.000 0.000 0.284 48 V C 0.378 176.513 176.094 0.069 0.000 1.047 48 V CA -0.272 62.092 62.300 0.105 0.000 0.952 48 V CB 1.192 33.133 31.823 0.195 0.000 0.988 48 V HN 1.056 nan 8.190 nan 0.000 0.469 49 T N 2.025 116.603 114.554 0.040 0.000 3.026 49 T HA 0.115 4.465 4.350 0.000 0.000 0.245 49 T C 0.436 175.154 174.700 0.029 0.000 1.004 49 T CA 0.088 62.205 62.100 0.028 0.000 1.069 49 T CB 0.295 69.172 68.868 0.014 0.000 1.005 49 T HN 0.647 nan 8.240 nan 0.000 0.472 50 E N 0.397 120.607 120.200 0.018 0.000 2.145 50 E HA 0.427 4.777 4.350 0.000 0.000 0.270 50 E C -1.861 174.749 176.600 0.017 0.000 0.906 50 E CA -0.847 55.563 56.400 0.015 0.000 0.761 50 E CB 0.793 30.483 29.700 -0.018 0.000 1.116 50 E HN 0.316 nan 8.360 nan 0.000 0.408 51 W N 5.090 126.290 121.300 -0.166 0.000 2.587 51 W HA 0.571 5.231 4.660 0.000 0.000 0.324 51 W C -1.061 175.355 176.519 -0.171 0.000 1.040 51 W CA -0.748 56.446 57.345 -0.252 0.000 1.222 51 W CB 1.117 30.395 29.460 -0.304 0.000 1.381 51 W HN 0.459 nan 8.180 nan 0.000 0.483 52 K N 6.073 125.912 120.400 -0.935 0.000 2.523 52 K HA 0.390 4.710 4.320 0.000 0.000 0.257 52 K C -1.877 174.085 176.600 -1.065 0.000 0.932 52 K CA -0.730 55.080 56.287 -0.796 0.000 0.812 52 K CB 1.746 34.015 32.500 -0.384 0.000 1.326 52 K HN 0.474 nan 8.250 nan 0.000 0.433 58 I N 2.229 122.854 120.570 0.091 0.000 2.388 58 I HA 0.243 4.413 4.170 0.000 0.000 0.281 58 I C 0.262 176.401 176.117 0.036 0.000 1.046 58 I CA -0.451 60.857 61.300 0.014 0.000 1.187 58 I CB 1.253 39.332 38.000 0.132 0.000 1.351 58 I HN 0.338 nan 8.210 nan 0.000 0.472 59 E N 6.619 126.735 120.200 -0.140 0.000 2.331 59 E HA 0.576 4.927 4.350 0.000 0.000 0.272 59 E C -0.846 175.647 176.600 -0.179 0.000 1.036 59 E CA -0.429 55.904 56.400 -0.112 0.000 0.864 59 E CB 1.551 31.167 29.700 -0.141 0.000 1.035 59 E HN 0.458 nan 8.360 nan 0.000 0.408 60 L N 1.024 122.186 121.223 -0.101 0.000 2.354 60 L HA 0.559 4.899 4.340 0.000 0.000 0.264 60 L C -0.403 176.425 176.870 -0.070 0.000 1.008 60 L CA -0.913 53.880 54.840 -0.079 0.000 0.819 60 L CB 2.259 44.342 42.059 0.040 0.000 1.339 60 L HN 0.403 nan 8.230 nan 0.000 0.420 61 T N 2.466 116.991 114.554 -0.049 0.000 3.038 61 T HA 0.591 4.941 4.350 0.000 0.000 0.344 61 T C -0.596 174.091 174.700 -0.022 0.000 1.054 61 T CA -0.395 61.678 62.100 -0.046 0.000 1.092 61 T CB 0.768 69.610 68.868 -0.045 0.000 1.031 61 T HN 0.169 nan 8.240 nan 0.000 0.482 62 L N 2.384 123.586 121.223 -0.036 0.000 2.334 62 L HA 0.650 4.990 4.340 0.000 0.000 0.272 62 L C 0.294 177.139 176.870 -0.041 0.000 1.020 62 L CA -0.632 54.198 54.840 -0.017 0.000 0.812 62 L CB 1.342 43.394 42.059 -0.012 0.000 1.264 62 L HN 0.448 nan 8.230 nan 0.000 0.439 63 Q N 0.762 120.553 119.800 -0.015 0.000 2.394 63 Q HA 0.842 5.182 4.340 0.000 0.000 0.273 63 Q C -1.200 174.805 176.000 0.007 0.000 1.089 63 Q CA -0.780 55.020 55.803 -0.006 0.000 0.812 63 Q CB 2.707 31.445 28.738 0.001 0.000 1.353 63 Q HN 0.804 nan 8.270 nan 0.000 0.438 64 S N -0.838 114.884 115.700 0.036 0.000 2.588 64 S HA 0.752 5.222 4.470 0.000 0.000 0.269 64 S C -0.143 174.518 174.600 0.102 0.000 1.157 64 S CA -0.437 57.786 58.200 0.039 0.000 0.824 64 S CB 1.298 64.475 63.200 -0.038 0.000 1.126 64 S HN 0.699 nan 8.310 nan 0.000 0.464 65 G N 0.572 109.416 108.800 0.073 0.000 3.226 65 G HA2 0.325 4.285 3.960 0.000 0.000 0.190 65 G HA3 0.325 4.285 3.960 0.000 0.000 0.190 65 G C 0.707 175.641 174.900 0.057 0.000 1.988 65 G CA -0.396 44.745 45.100 0.068 0.000 0.859 65 G HN 0.678 nan 8.290 nan 0.000 0.631 66 R N -1.198 119.209 120.500 -0.155 0.000 2.075 66 R HA 0.174 4.514 4.340 0.000 0.000 0.220 66 R C 0.200 176.234 176.300 -0.442 0.000 1.118 66 R CA 0.459 56.315 56.100 -0.408 0.000 0.986 66 R CB -0.153 29.574 30.300 -0.956 0.000 0.884 66 R HN 0.451 nan 8.270 nan 0.000 0.439 67 Y N -0.453 119.857 120.300 0.017 0.000 2.453 67 Y HA 0.224 4.774 4.550 0.000 0.000 0.326 67 Y C 0.805 176.672 175.900 -0.055 0.000 1.186 67 Y CA -1.250 56.840 58.100 -0.016 0.000 1.200 67 Y CB 1.103 39.565 38.460 0.002 0.000 1.247 67 Y HN -0.270 nan 8.280 nan 0.000 0.482 68 V N 1.077 121.045 119.914 0.090 0.000 6.016 68 V HA -0.303 3.817 4.120 0.000 0.000 0.265 68 V C 0.218 176.236 176.094 -0.127 0.000 0.621 68 V CA 0.009 62.306 62.300 -0.006 0.000 0.592 68 V CB -2.208 29.630 31.823 0.025 0.000 0.298 68 V HN 0.777 nan 8.190 nan 0.000 0.615 69 R N 0.219 120.555 120.500 -0.275 0.000 2.784 69 R HA 0.296 4.636 4.340 0.000 0.000 0.266 69 R C 1.377 177.310 176.300 -0.612 0.000 1.044 69 R CA 0.274 55.998 56.100 -0.627 0.000 1.151 69 R CB 0.771 30.433 30.300 -1.062 0.000 1.037 69 R HN 0.291 nan 8.270 nan 0.000 0.478 70 V N 3.289 122.810 119.914 -0.654 0.000 2.490 70 V HA -0.238 3.882 4.120 0.000 0.000 0.250 70 V C 2.091 178.030 176.094 -0.258 0.000 1.061 70 V CA 2.020 64.108 62.300 -0.353 0.000 1.064 70 V CB -0.708 30.961 31.823 -0.258 0.000 0.670 70 V HN 0.806 nan 8.190 nan 0.000 0.461 71 H N -1.839 117.204 119.070 -0.044 0.000 2.462 71 H HA -0.030 4.526 4.556 0.000 0.000 0.292 71 H C 1.522 176.941 175.328 0.151 0.000 1.049 71 H CA 1.154 57.260 56.048 0.097 0.000 1.334 71 H CB -0.261 29.634 29.762 0.222 0.000 1.404 71 H HN 0.426 nan 8.280 nan 0.000 0.544 72 D N 1.297 121.723 120.400 0.043 0.000 2.289 72 D HA 0.084 4.724 4.640 0.000 0.000 0.207 72 D C 2.239 178.604 176.300 0.108 0.000 0.966 72 D CA 0.886 54.980 54.000 0.157 0.000 0.868 72 D CB 0.051 40.877 40.800 0.044 0.000 0.943 72 D HN 0.462 nan 8.370 nan 0.000 0.514 73 A N 0.863 123.679 122.820 -0.006 0.000 1.969 73 A HA -0.065 4.255 4.320 0.000 0.000 0.218 73 A C 2.186 179.783 177.584 0.022 0.000 1.169 73 A CA 0.489 52.527 52.037 0.002 0.000 0.635 73 A CB -0.491 18.489 19.000 -0.034 0.000 0.810 73 A HN 0.217 nan 8.150 nan 0.000 0.445 74 I N -1.915 118.619 120.570 -0.060 0.000 2.617 74 I HA -0.103 4.067 4.170 0.000 0.000 0.256 74 I C 1.428 177.473 176.117 -0.120 0.000 1.167 74 I CA 0.947 62.165 61.300 -0.137 0.000 1.469 74 I CB 0.044 37.816 38.000 -0.380 0.000 1.098 74 I HN 0.312 nan 8.210 nan 0.000 0.436 75 F N 0.239 120.266 119.950 0.129 0.000 2.664 75 F HA 0.132 4.659 4.527 0.000 0.000 0.296 75 F C 2.342 178.188 175.800 0.076 0.000 1.125 75 F CA 0.377 58.446 58.000 0.115 0.000 1.444 75 F CB -0.377 38.670 39.000 0.078 0.000 1.114 75 F HN -0.151 nan 8.300 nan 0.000 0.576 76 R N 0.086 120.701 120.500 0.192 0.000 2.090 76 R HA -0.010 4.330 4.340 0.000 0.000 0.228 76 R C 1.906 178.234 176.300 0.047 0.000 1.110 76 R CA 1.046 57.205 56.100 0.099 0.000 0.973 76 R CB -0.487 29.850 30.300 0.061 0.000 0.869 76 R HN 0.313 nan 8.270 nan 0.000 0.440 77 L N 0.003 121.260 121.223 0.057 0.000 2.395 77 L HA -0.008 4.332 4.340 0.000 0.000 0.218 77 L C 2.443 179.250 176.870 -0.105 0.000 1.130 77 L CA 0.544 55.373 54.840 -0.018 0.000 0.826 77 L CB -0.161 41.950 42.059 0.087 0.000 0.941 77 L HN 0.016 nan 8.230 nan 0.000 0.451 78 R N 0.449 120.968 120.500 0.031 0.000 2.115 78 R HA -0.100 4.240 4.340 0.000 0.000 0.230 78 R C 2.208 178.494 176.300 -0.023 0.000 1.111 78 R CA 1.243 57.344 56.100 0.001 0.000 0.976 78 R CB 0.005 30.470 30.300 0.275 0.000 0.870 78 R HN 0.094 nan 8.270 nan 0.000 0.445 79 K N 0.030 120.438 120.400 0.014 0.000 2.076 79 K HA -0.064 4.256 4.320 0.000 0.000 0.204 79 K C 2.065 178.638 176.600 -0.045 0.000 1.051 79 K CA 1.377 57.663 56.287 -0.001 0.000 0.949 79 K CB 0.011 32.523 32.500 0.020 0.000 0.726 79 K HN 0.391 nan 8.250 nan 0.000 0.443 80 Q N 0.443 120.197 119.800 -0.076 0.000 2.083 80 Q HA -0.000 4.340 4.340 0.000 0.000 0.198 80 Q C 2.196 178.126 176.000 -0.118 0.000 0.969 80 Q CA 0.848 56.591 55.803 -0.099 0.000 0.838 80 Q CB 0.039 28.698 28.738 -0.133 0.000 0.900 80 Q HN 0.226 nan 8.270 nan 0.000 0.436 81 L N -0.031 121.088 121.223 -0.175 0.000 2.291 81 L HA -0.053 4.287 4.340 0.000 0.000 0.214 81 L C 2.244 179.040 176.870 -0.122 0.000 1.120 81 L CA 0.488 55.219 54.840 -0.180 0.000 0.799 81 L CB -0.295 41.568 42.059 -0.325 0.000 0.925 81 L HN 0.159 nan 8.230 nan 0.000 0.446 82 A N -0.344 122.413 122.820 -0.104 0.000 2.067 82 A HA -0.156 4.164 4.320 0.000 0.000 0.217 82 A C 2.179 179.749 177.584 -0.023 0.000 1.156 82 A CA 1.366 53.373 52.037 -0.051 0.000 0.683 82 A CB -0.118 18.862 19.000 -0.034 0.000 0.808 82 A HN 0.345 nan 8.150 nan 0.000 0.455 83 E N -0.069 120.113 120.200 -0.028 0.000 2.127 83 E HA 0.213 4.563 4.350 0.000 0.000 0.191 83 E C 1.733 178.332 176.600 -0.001 0.000 0.964 83 E CA 1.096 57.488 56.400 -0.014 0.000 0.832 83 E CB -0.289 29.400 29.700 -0.019 0.000 0.790 83 E HN 0.354 nan 8.360 nan 0.000 0.465 84 A N -0.182 122.633 122.820 -0.008 0.000 2.208 84 A HA 0.183 4.503 4.320 0.000 0.000 0.209 84 A C 1.553 179.180 177.584 0.072 0.000 1.161 84 A CA 0.531 52.580 52.037 0.019 0.000 0.782 84 A CB -0.057 18.941 19.000 -0.005 0.000 0.816 84 A HN 0.322 nan 8.150 nan 0.000 0.477 85 L N -2.936 118.325 121.223 0.064 0.000 3.128 85 L HA 0.228 4.568 4.340 0.000 0.000 0.277 85 L C 2.258 179.192 176.870 0.106 0.000 1.171 85 L CA 0.378 55.293 54.840 0.125 0.000 1.008 85 L CB 0.091 42.189 42.059 0.066 0.000 1.442 85 L HN 0.344 nan 8.230 nan 0.000 0.584 86 G N 1.058 109.890 108.800 0.054 0.000 2.552 86 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 86 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 86 G C 1.433 176.356 174.900 0.038 0.000 1.240 86 G CA 0.734 45.857 45.100 0.038 0.000 0.796 86 G HN 0.210 nan 8.290 nan 0.000 0.568 87 K N 0.195 120.609 120.400 0.023 0.000 2.361 87 K HA 0.088 4.408 4.320 0.000 0.000 0.196 87 K C 2.456 179.048 176.600 -0.014 0.000 1.039 87 K CA 0.240 56.531 56.287 0.005 0.000 1.001 87 K CB 0.196 32.693 32.500 -0.004 0.000 0.795 87 K HN 0.126 nan 8.250 nan 0.000 0.495 88 K N 0.033 120.436 120.400 0.004 0.000 2.021 88 K HA -0.073 4.247 4.320 0.000 0.000 0.205 88 K C 1.149 177.626 176.600 -0.205 0.000 1.047 88 K CA 1.506 57.751 56.287 -0.071 0.000 0.943 88 K CB -0.136 32.394 32.500 0.050 0.000 0.725 88 K HN 0.199 nan 8.250 nan 0.000 0.439 89 Y N 0.771 121.076 120.300 0.009 0.000 2.612 89 Y HA 0.198 4.748 4.550 0.000 0.000 0.250 89 Y C -0.357 175.551 175.900 0.013 0.000 1.175 89 Y CA -0.585 57.523 58.100 0.013 0.000 1.205 89 Y CB 0.608 39.079 38.460 0.019 0.000 1.201 89 Y HN -0.053 nan 8.280 nan 0.000 0.532 90 K N 0.599 121.064 120.400 0.107 0.000 3.150 90 K HA -0.192 4.128 4.320 0.000 0.000 0.267 90 K C -0.799 175.848 176.600 0.079 0.000 1.028 90 K CA 0.725 57.055 56.287 0.071 0.000 0.753 90 K CB -2.195 30.335 32.500 0.050 0.000 1.288 90 K HN 0.449 nan 8.250 nan 0.000 0.473 91 I N -0.063 120.558 120.570 0.086 0.000 2.404 91 I HA 0.419 4.589 4.170 0.000 0.000 0.293 91 I C 0.852 176.996 176.117 0.046 0.000 0.992 91 I CA -0.689 60.651 61.300 0.066 0.000 1.149 91 I CB 2.188 40.228 38.000 0.066 0.000 1.315 91 I HN 0.174 nan 8.210 nan 0.000 0.446 92 G N 6.970 115.796 108.800 0.043 0.000 2.675 92 G HA2 0.634 4.594 3.960 0.000 0.000 0.297 92 G HA3 0.634 4.594 3.960 0.000 0.000 0.297 92 G C -0.554 174.374 174.900 0.047 0.000 1.399 92 G CA -0.461 44.662 45.100 0.038 0.000 0.981 92 G HN 0.494 nan 8.290 nan 0.000 0.519 93 I N 1.879 122.476 120.570 0.046 0.000 2.648 93 I HA 0.127 4.297 4.170 0.000 0.000 0.284 93 I C 1.561 177.729 176.117 0.085 0.000 1.153 93 I CA -0.278 61.068 61.300 0.075 0.000 1.426 93 I CB 1.252 39.297 38.000 0.075 0.000 1.381 93 I HN 0.522 nan 8.210 nan 0.000 0.571 94 R N 3.569 124.126 120.500 0.095 0.000 2.090 94 R HA 0.275 4.615 4.340 0.000 0.000 0.219 94 R C 0.827 177.179 176.300 0.087 0.000 1.100 94 R CA 0.512 56.660 56.100 0.080 0.000 0.991 94 R CB 0.156 30.497 30.300 0.068 0.000 0.893 94 R HN 0.934 nan 8.270 nan 0.000 0.443 95 G N -0.337 108.524 108.800 0.102 0.000 2.428 95 G HA2 0.403 4.363 3.960 0.000 0.000 0.304 95 G HA3 0.403 4.363 3.960 0.000 0.000 0.304 95 G C -1.686 173.234 174.900 0.033 0.000 1.303 95 G CA -0.887 44.265 45.100 0.087 0.000 0.825 95 G HN -0.016 nan 8.290 nan 0.000 0.484 96 I N 0.259 120.790 120.570 -0.065 0.000 2.509 96 I HA 0.577 4.747 4.170 0.000 0.000 0.293 96 I C -0.454 175.472 176.117 -0.319 0.000 1.020 96 I CA -0.595 60.535 61.300 -0.283 0.000 1.088 96 I CB 2.373 40.155 38.000 -0.363 0.000 1.267 96 I HN 0.536 nan 8.210 nan 0.000 0.430 97 E N 4.424 124.298 120.200 -0.544 0.000 2.248 97 E HA 0.568 4.918 4.350 0.000 0.000 0.267 97 E C -1.551 174.794 176.600 -0.424 0.000 0.877 97 E CA -0.705 55.418 56.400 -0.461 0.000 0.759 97 E CB 2.343 31.740 29.700 -0.505 0.000 1.182 97 E HN 0.347 nan 8.360 nan 0.000 0.418 98 V N 4.152 123.949 119.914 -0.195 0.000 2.509 98 V HA 0.167 4.287 4.120 0.000 0.000 0.284 98 V C 0.630 176.712 176.094 -0.020 0.000 1.047 98 V CA -0.061 62.184 62.300 -0.092 0.000 0.952 98 V CB 1.485 33.313 31.823 0.007 0.000 0.988 98 V HN 0.859 nan 8.190 nan 0.000 0.469 99 E N 1.623 121.830 120.200 0.011 0.000 2.290 99 E HA 0.167 4.517 4.350 0.000 0.000 0.197 99 E C 0.447 177.072 176.600 0.042 0.000 0.948 99 E CA 0.330 56.756 56.400 0.044 0.000 0.895 99 E CB 0.971 30.707 29.700 0.061 0.000 0.865 99 E HN 0.584 nan 8.360 nan 0.000 0.486 100 S N -0.330 115.396 115.700 0.043 0.000 2.543 100 S HA 0.505 4.975 4.470 0.000 0.000 0.271 100 S C -2.050 172.616 174.600 0.109 0.000 1.148 100 S CA -0.645 57.593 58.200 0.062 0.000 0.914 100 S CB 0.825 64.037 63.200 0.020 0.000 1.096 100 S HN 0.170 nan 8.310 nan 0.000 0.471 101 F N 4.875 124.832 119.950 0.011 0.000 2.730 101 F HA 0.633 5.160 4.527 0.000 0.000 0.335 101 F C -1.326 174.488 175.800 0.022 0.000 1.212 101 F CA -0.565 57.455 58.000 0.034 0.000 1.016 101 F CB 0.880 39.908 39.000 0.047 0.000 1.290 101 F HN 0.520 nan 8.300 nan 0.000 0.495 102 I N 7.005 127.692 120.570 0.195 0.000 2.498 102 I HA 0.471 4.641 4.170 0.000 0.000 0.290 102 I C -0.858 175.292 176.117 0.055 0.000 1.032 102 I CA -0.703 60.673 61.300 0.126 0.000 1.073 102 I CB 2.214 40.229 38.000 0.025 0.000 1.251 102 I HN 0.377 nan 8.210 nan 0.000 0.426 103 I N 5.745 126.317 120.570 0.004 0.000 2.433 103 I HA 0.400 4.570 4.170 0.000 0.000 0.292 103 I C -0.438 175.574 176.117 -0.175 0.000 1.001 103 I CA -0.734 60.438 61.300 -0.213 0.000 1.119 103 I CB 1.634 39.434 38.000 -0.334 0.000 1.289 103 I HN 0.406 nan 8.210 nan 0.000 0.438 104 K N 5.664 125.943 120.400 -0.202 0.000 2.339 104 K HA 0.620 4.940 4.320 0.000 0.000 0.264 104 K C -1.238 175.275 176.600 -0.146 0.000 0.986 104 K CA -0.611 55.595 56.287 -0.136 0.000 0.866 104 K CB 2.289 34.730 32.500 -0.099 0.000 1.103 104 K HN 0.309 nan 8.250 nan 0.000 0.441 105 V N 4.928 124.774 119.914 -0.113 0.000 2.448 105 V HA 0.315 4.435 4.120 0.000 0.000 0.295 105 V C -2.092 173.962 176.094 -0.067 0.000 1.025 105 V CA -2.309 59.934 62.300 -0.094 0.000 0.859 105 V CB 1.365 33.142 31.823 -0.078 0.000 0.988 105 V HN 0.687 nan 8.190 nan 0.000 0.431 106 P HA 0.406 nan 4.420 nan 0.000 0.268 106 P C -0.680 176.615 177.300 -0.009 0.000 1.205 106 P CA 0.144 63.211 63.100 -0.055 0.000 0.771 106 P CB 1.274 32.912 31.700 -0.104 0.000 0.858 107 A N 1.798 124.621 122.820 0.006 0.000 2.572 107 A HA 0.393 4.713 4.320 0.000 0.000 0.295 107 A C 0.584 178.186 177.584 0.028 0.000 1.072 107 A CA -0.371 51.676 52.037 0.017 0.000 0.691 107 A CB 1.185 20.187 19.000 0.003 0.000 1.291 107 A HN 0.463 nan 8.150 nan 0.000 0.404 108 D N -0.086 120.330 120.400 0.027 0.000 2.107 108 D HA 0.009 4.650 4.640 0.000 0.000 0.204 108 D C 0.646 176.984 176.300 0.062 0.000 0.978 108 D CA 1.858 55.877 54.000 0.031 0.000 0.852 108 D CB -0.100 40.693 40.800 -0.012 0.000 1.008 108 D HN 0.677 nan 8.370 nan 0.000 0.458 109 H N -0.743 118.306 119.070 -0.035 0.000 2.630 109 H HA 0.396 4.952 4.556 0.000 0.000 0.343 109 H C -0.656 174.659 175.328 -0.022 0.000 1.232 109 H CA -0.815 55.216 56.048 -0.029 0.000 1.294 109 H CB 1.184 30.925 29.762 -0.035 0.000 1.746 109 H HN -0.065 nan 8.280 nan 0.000 0.593 110 E N 1.794 121.756 120.200 -0.397 0.000 2.238 110 E HA 0.075 4.425 4.350 0.000 0.000 0.264 110 E C -0.630 175.986 176.600 0.027 0.000 1.136 110 E CA -0.040 56.255 56.400 -0.176 0.000 0.929 110 E CB 0.374 29.928 29.700 -0.242 0.000 1.010 110 E HN 0.256 nan 8.360 nan 0.000 0.440 111 L N 4.071 125.308 121.223 0.024 0.000 2.350 111 L HA 0.212 4.553 4.340 0.000 0.000 0.275 111 L C 0.933 177.818 176.870 0.025 0.000 1.099 111 L CA -0.472 54.394 54.840 0.043 0.000 0.808 111 L CB 0.489 42.563 42.059 0.024 0.000 1.149 111 L HN 0.545 nan 8.230 nan 0.000 0.442 115 K N 2.118 122.492 120.400 -0.043 0.000 2.262 115 K HA 0.744 5.064 4.320 0.000 0.000 0.282 115 K C -1.414 175.149 176.600 -0.061 0.000 1.066 115 K CA -0.396 55.859 56.287 -0.054 0.000 0.901 115 K CB 1.267 33.730 32.500 -0.063 0.000 1.089 115 K HN 0.400 nan 8.250 nan 0.000 0.476 116 V N 6.272 126.151 119.914 -0.059 0.000 2.709 116 V HA 0.332 4.452 4.120 0.000 0.000 0.308 116 V C -2.309 173.740 176.094 -0.075 0.000 1.062 116 V CA -2.130 60.136 62.300 -0.057 0.000 0.901 116 V CB 1.769 33.574 31.823 -0.031 0.000 1.003 116 V HN 0.817 nan 8.190 nan 0.000 0.425 117 P HA 0.168 nan 4.420 nan 0.000 0.267 117 P C -0.422 176.816 177.300 -0.104 0.000 1.200 117 P CA 0.475 63.445 63.100 -0.218 0.000 0.772 117 P CB -0.004 31.541 31.700 -0.257 0.000 0.855 118 Y N -1.760 118.497 120.300 -0.073 0.000 4.899 118 Y HA -0.230 4.320 4.550 0.000 0.000 0.241 118 Y C 0.588 176.437 175.900 -0.085 0.000 0.976 118 Y CA 0.314 58.363 58.100 -0.085 0.000 1.952 118 Y CB -2.400 35.995 38.460 -0.108 0.000 1.496 118 Y HN 0.320 nan 8.280 nan 0.000 0.545 119 I N 1.293 121.876 120.570 0.022 0.000 2.297 119 I HA 0.129 4.299 4.170 0.000 0.000 0.291 119 I C 1.322 177.431 176.117 -0.014 0.000 1.033 119 I CA -0.397 60.903 61.300 0.001 0.000 1.253 119 I CB 1.560 39.553 38.000 -0.011 0.000 1.396 119 I HN -0.039 nan 8.210 nan 0.000 0.476 120 K N 5.624 126.022 120.400 -0.002 0.000 2.007 120 K HA -0.019 4.301 4.320 0.000 0.000 0.206 120 K C 0.605 177.198 176.600 -0.011 0.000 1.047 120 K CA 1.383 57.666 56.287 -0.007 0.000 0.937 120 K CB 0.181 32.685 32.500 0.007 0.000 0.718 120 K HN 0.691 nan 8.250 nan 0.000 0.438 124 N N 1.647 120.330 118.700 -0.029 0.000 2.458 124 N HA 0.409 5.149 4.740 0.000 0.000 0.270 124 N C 0.205 175.694 175.510 -0.036 0.000 1.102 124 N CA -0.072 52.957 53.050 -0.036 0.000 0.967 124 N CB 0.682 39.143 38.487 -0.044 0.000 1.078 124 N HN 0.492 nan 8.380 nan 0.000 0.471 125 I N -1.311 119.237 120.570 -0.037 0.000 3.540 125 I HA 0.485 4.655 4.170 0.000 0.000 0.288 125 I C 0.980 177.075 176.117 -0.036 0.000 1.169 125 I CA -0.845 60.434 61.300 -0.035 0.000 1.038 125 I CB 0.830 38.810 38.000 -0.033 0.000 1.338 125 I HN 0.110 nan 8.210 nan 0.000 0.507 126 E N 1.632 121.813 120.200 -0.032 0.000 2.017 126 E HA -0.041 4.309 4.350 0.000 0.000 0.193 126 E C 1.971 178.556 176.600 -0.026 0.000 0.997 126 E CA 2.091 58.474 56.400 -0.028 0.000 0.804 126 E CB -0.634 29.053 29.700 -0.022 0.000 0.757 126 E HN 0.880 nan 8.360 nan 0.000 0.448 127 G N -1.099 107.684 108.800 -0.028 0.000 2.403 127 G HA2 0.191 4.151 3.960 0.000 0.000 0.216 127 G HA3 0.191 4.151 3.960 0.000 0.000 0.216 127 G C 0.881 175.764 174.900 -0.028 0.000 1.154 127 G CA 0.887 45.970 45.100 -0.028 0.000 0.784 127 G HN 0.478 nan 8.290 nan 0.000 0.538 128 G N -0.758 108.021 108.800 -0.035 0.000 3.183 128 G HA2 0.399 4.359 3.960 0.000 0.000 0.140 128 G HA3 0.399 4.359 3.960 0.000 0.000 0.140 128 G C -1.283 173.595 174.900 -0.037 0.000 1.209 128 G CA -0.470 44.611 45.100 -0.033 0.000 1.438 128 G HN 0.189 nan 8.290 nan 0.000 0.700 129 I N 1.341 121.887 120.570 -0.041 0.000 2.498 129 I HA 0.464 4.634 4.170 0.000 0.000 0.290 129 I C -0.527 175.561 176.117 -0.048 0.000 1.032 129 I CA -0.480 60.796 61.300 -0.039 0.000 1.073 129 I CB 2.397 40.377 38.000 -0.033 0.000 1.251 129 I HN 0.400 nan 8.210 nan 0.000 0.426 130 Q N 6.729 126.504 119.800 -0.041 0.000 2.274 130 Q HA 0.806 5.146 4.340 0.000 0.000 0.260 130 Q C -1.777 174.205 176.000 -0.030 0.000 0.974 130 Q CA -0.858 54.920 55.803 -0.041 0.000 0.876 130 Q CB 2.125 30.843 28.738 -0.034 0.000 1.297 130 Q HN 0.614 nan 8.270 nan 0.000 0.446 131 L N 0.086 121.294 121.223 -0.025 0.000 2.543 131 L HA 0.613 4.953 4.340 0.000 0.000 0.265 131 L C -1.239 175.642 176.870 0.019 0.000 0.945 131 L CA -0.936 53.898 54.840 -0.010 0.000 0.869 131 L CB 1.969 44.016 42.059 -0.020 0.000 1.294 131 L HN 0.390 nan 8.230 nan 0.000 0.405 132 E N 3.039 123.255 120.200 0.027 0.000 2.283 132 E HA 0.790 5.140 4.350 0.000 0.000 0.271 132 E C -0.987 175.643 176.600 0.049 0.000 1.031 132 E CA -0.309 56.126 56.400 0.057 0.000 0.868 132 E CB 1.737 31.463 29.700 0.043 0.000 1.094 132 E HN 0.575 nan 8.360 nan 0.000 0.401 133 L N 1.358 122.624 121.223 0.071 0.000 2.354 133 L HA 0.453 4.793 4.340 0.000 0.000 0.269 133 L C -0.149 176.740 176.870 0.032 0.000 1.005 133 L CA -0.695 54.152 54.840 0.010 0.000 0.819 133 L CB 1.855 43.829 42.059 -0.143 0.000 1.311 133 L HN 0.458 nan 8.230 nan 0.000 0.423 134 E N 2.505 122.731 120.200 0.043 0.000 2.206 134 E HA 0.302 4.652 4.350 0.000 0.000 0.244 134 E C -1.036 175.615 176.600 0.085 0.000 1.055 134 E CA -0.282 56.157 56.400 0.064 0.000 0.970 134 E CB 1.083 30.820 29.700 0.062 0.000 1.256 134 E HN 0.381 nan 8.360 nan 0.000 0.456 135 V N -0.959 118.953 119.914 -0.003 0.000 2.680 135 V HA 0.864 4.984 4.120 0.000 0.000 0.309 135 V C 0.503 176.577 176.094 -0.034 0.000 1.052 135 V CA -0.860 61.392 62.300 -0.080 0.000 0.908 135 V CB 1.691 33.356 31.823 -0.264 0.000 1.001 135 V HN 0.373 nan 8.190 nan 0.000 0.431 136 G N 2.393 111.167 108.800 -0.043 0.000 2.702 136 G HA2 0.501 4.461 3.960 0.000 0.000 0.254 136 G HA3 0.501 4.461 3.960 0.000 0.000 0.254 136 G C 0.444 175.333 174.900 -0.017 0.000 1.380 136 G CA 0.184 45.267 45.100 -0.028 0.000 1.042 136 G HN 1.024 nan 8.290 nan 0.000 0.557 137 E N -1.037 119.165 120.200 0.003 0.000 2.072 137 E HA 0.053 4.403 4.350 0.000 0.000 0.190 137 E C 2.343 179.012 176.600 0.114 0.000 0.982 137 E CA 1.183 57.636 56.400 0.090 0.000 0.803 137 E CB -0.302 29.458 29.700 0.100 0.000 0.755 137 E HN 0.347 nan 8.360 nan 0.000 0.453 138 A N 1.030 123.872 122.820 0.037 0.000 1.972 138 A HA -0.124 4.196 4.320 0.000 0.000 0.219 138 A C 1.120 178.670 177.584 -0.058 0.000 1.169 138 A CA 1.175 53.210 52.037 -0.003 0.000 0.635 138 A CB -0.391 18.603 19.000 -0.010 0.000 0.810 138 A HN 0.249 nan 8.150 nan 0.000 0.446 142 N N 2.120 120.751 118.700 -0.116 0.000 2.449 142 N HA 0.011 4.751 4.740 0.000 0.000 0.191 142 N C -0.565 174.863 175.510 -0.137 0.000 1.161 142 N CA 0.577 53.555 53.050 -0.120 0.000 0.863 142 N CB 0.356 38.770 38.487 -0.121 0.000 0.980 142 N HN 0.128 nan 8.380 nan 0.000 0.458 143 R N -1.061 119.345 120.500 -0.158 0.000 3.532 143 R HA -0.121 4.219 4.340 0.000 0.000 0.284 143 R C 1.068 177.240 176.300 -0.212 0.000 1.140 143 R CA 0.116 56.108 56.100 -0.181 0.000 0.768 143 R CB -2.841 27.395 30.300 -0.108 0.000 1.252 143 R HN 0.063 nan 8.270 nan 0.000 0.454 144 V N 0.546 120.292 119.914 -0.280 0.000 2.261 144 V HA -0.186 3.934 4.120 0.000 0.000 0.246 144 V C -0.463 175.479 176.094 -0.253 0.000 1.047 144 V CA 2.459 64.575 62.300 -0.306 0.000 1.015 144 V CB -0.768 30.727 31.823 -0.547 0.000 0.642 144 V HN 0.246 nan 8.190 nan 0.000 0.446 145 P HA -0.128 nan 4.420 nan 0.000 0.218 145 P C 0.952 178.237 177.300 -0.025 0.000 1.148 145 P CA 1.522 64.497 63.100 -0.209 0.000 0.822 145 P CB -0.096 31.431 31.700 -0.289 0.000 0.784 146 D N -1.049 119.290 120.400 -0.100 0.000 2.097 146 D HA -0.143 4.497 4.640 0.000 0.000 0.195 146 D C 2.083 178.395 176.300 0.019 0.000 0.989 146 D CA 1.136 55.144 54.000 0.013 0.000 0.827 146 D CB -0.394 40.392 40.800 -0.023 0.000 0.966 146 D HN 0.053 nan 8.370 nan 0.000 0.456 147 R N -0.178 120.306 120.500 -0.026 0.000 2.090 147 R HA 0.088 4.428 4.340 0.000 0.000 0.228 147 R C 2.246 178.547 176.300 0.001 0.000 1.110 147 R CA 0.517 56.610 56.100 -0.013 0.000 0.973 147 R CB -0.123 30.160 30.300 -0.027 0.000 0.869 147 R HN 0.219 nan 8.270 nan 0.000 0.440 148 I N 0.321 120.887 120.570 -0.006 0.000 2.179 148 I HA -0.301 3.869 4.170 0.000 0.000 0.242 148 I C 2.270 178.396 176.117 0.015 0.000 1.088 148 I CA 1.127 62.428 61.300 0.001 0.000 1.357 148 I CB -0.220 37.770 38.000 -0.016 0.000 1.051 148 I HN 0.237 nan 8.210 nan 0.000 0.409 149 L N 0.395 121.643 121.223 0.043 0.000 2.012 149 L HA -0.250 4.090 4.340 0.000 0.000 0.210 149 L C 2.645 179.542 176.870 0.046 0.000 1.073 149 L CA 2.054 56.928 54.840 0.057 0.000 0.748 149 L CB -0.558 41.592 42.059 0.151 0.000 0.891 149 L HN 0.315 nan 8.230 nan 0.000 0.431 150 T N 0.358 114.942 114.554 0.049 0.000 2.684 150 T HA -0.265 4.085 4.350 0.000 0.000 0.267 150 T C 1.904 176.620 174.700 0.028 0.000 1.036 150 T CA 1.389 63.513 62.100 0.039 0.000 1.148 150 T CB -0.355 68.532 68.868 0.032 0.000 0.863 150 T HN 0.275 nan 8.240 nan 0.000 0.436 151 L N 0.406 121.641 121.223 0.020 0.000 1.989 151 L HA -0.087 4.253 4.340 0.000 0.000 0.211 151 L C 2.429 179.308 176.870 0.015 0.000 1.071 151 L CA 1.696 56.545 54.840 0.014 0.000 0.749 151 L CB -0.405 41.658 42.059 0.008 0.000 0.890 151 L HN 0.302 nan 8.230 nan 0.000 0.431 152 L N -0.444 120.786 121.223 0.011 0.000 2.131 152 L HA -0.228 4.112 4.340 0.000 0.000 0.210 152 L C 2.461 179.340 176.870 0.015 0.000 1.092 152 L CA 1.181 56.025 54.840 0.008 0.000 0.759 152 L CB -0.393 41.663 42.059 -0.003 0.000 0.903 152 L HN 0.306 nan 8.230 nan 0.000 0.435 153 E N -0.089 120.125 120.200 0.023 0.000 2.106 153 E HA -0.224 4.126 4.350 0.000 0.000 0.192 153 E C 2.032 178.658 176.600 0.044 0.000 0.984 153 E CA 1.029 57.450 56.400 0.034 0.000 0.806 153 E CB 0.019 29.744 29.700 0.041 0.000 0.750 153 E HN 0.527 nan 8.360 nan 0.000 0.458 154 E N 0.622 120.846 120.200 0.040 0.000 2.150 154 E HA -0.144 4.206 4.350 0.000 0.000 0.193 154 E C 1.833 178.459 176.600 0.043 0.000 0.985 154 E CA 0.805 57.231 56.400 0.044 0.000 0.814 154 E CB 0.135 29.856 29.700 0.034 0.000 0.752 154 E HN 0.129 nan 8.360 nan 0.000 0.466 155 K N 0.240 120.659 120.400 0.032 0.000 2.116 155 K HA -0.002 4.318 4.320 0.000 0.000 0.203 155 K C 2.094 178.710 176.600 0.025 0.000 1.052 155 K CA 0.640 56.943 56.287 0.026 0.000 0.952 155 K CB 0.066 32.577 32.500 0.017 0.000 0.729 155 K HN 0.112 nan 8.250 nan 0.000 0.446 156 I N 1.552 122.138 120.570 0.026 0.000 2.226 156 I HA -0.239 3.931 4.170 0.000 0.000 0.245 156 I C 2.617 178.743 176.117 0.015 0.000 1.100 156 I CA 1.197 62.509 61.300 0.020 0.000 1.374 156 I CB -0.122 37.891 38.000 0.023 0.000 1.057 156 I HN 0.236 nan 8.210 nan 0.000 0.413 157 E N 1.190 121.424 120.200 0.057 0.000 2.150 157 E HA -0.212 4.138 4.350 0.000 0.000 0.193 157 E C 2.214 178.882 176.600 0.112 0.000 0.985 157 E CA 1.199 57.672 56.400 0.122 0.000 0.814 157 E CB 0.103 29.911 29.700 0.180 0.000 0.752 157 E HN 0.501 nan 8.360 nan 0.000 0.466 158 A N 0.964 123.826 122.820 0.069 0.000 1.929 158 A HA 0.044 4.364 4.320 0.000 0.000 0.216 158 A C 2.277 179.867 177.584 0.009 0.000 1.176 158 A CA 1.330 53.400 52.037 0.056 0.000 0.628 158 A CB -0.349 18.678 19.000 0.044 0.000 0.816 158 A HN 0.319 nan 8.150 nan 0.000 0.444 159 A N -1.227 121.582 122.820 -0.018 0.000 2.168 159 A HA 0.021 4.341 4.320 0.000 0.000 0.215 159 A C 1.995 179.509 177.584 -0.118 0.000 1.152 159 A CA 1.743 53.749 52.037 -0.051 0.000 0.716 159 A CB -0.216 18.774 19.000 -0.017 0.000 0.794 159 A HN 0.549 nan 8.150 nan 0.000 0.465 160 Q N -2.273 117.411 119.800 -0.194 0.000 2.304 160 Q HA 0.110 4.450 4.340 0.000 0.000 0.204 160 Q C 1.031 176.707 176.000 -0.540 0.000 0.936 160 Q CA 1.432 56.967 55.803 -0.447 0.000 0.878 160 Q CB -0.016 28.312 28.738 -0.684 0.000 0.983 160 Q HN 0.644 nan 8.270 nan 0.000 0.516 161 Y N -1.703 118.603 120.300 0.010 0.000 2.723 161 Y HA 0.435 4.985 4.550 0.000 0.000 0.272 161 Y C 1.131 177.036 175.900 0.009 0.000 1.142 161 Y CA -0.271 57.835 58.100 0.010 0.000 1.217 161 Y CB -0.412 38.058 38.460 0.018 0.000 1.391 161 Y HN 0.034 nan 8.280 nan 0.000 0.479 162 G N 1.629 110.529 108.800 0.166 0.000 2.209 162 G HA2 0.347 4.307 3.960 0.000 0.000 0.271 162 G HA3 0.347 4.307 3.960 0.000 0.000 0.271 162 G C -0.227 174.710 174.900 0.063 0.000 1.111 162 G CA 0.672 45.834 45.100 0.104 0.000 1.092 162 G HN 0.389 nan 8.290 nan 0.000 0.416 163 A N 3.326 126.182 122.820 0.060 0.000 2.430 163 A HA 0.769 5.089 4.320 0.000 0.000 0.300 163 A C 0.121 177.724 177.584 0.033 0.000 1.124 163 A CA -1.007 51.051 52.037 0.036 0.000 0.766 163 A CB 1.319 20.337 19.000 0.030 0.000 1.328 163 A HN 0.602 nan 8.150 nan 0.000 0.424 164 K N 0.730 121.144 120.400 0.024 0.000 2.336 164 K HA 0.477 4.798 4.320 0.000 0.000 0.290 164 K C -0.258 176.350 176.600 0.013 0.000 1.067 164 K CA 0.539 56.840 56.287 0.024 0.000 0.962 164 K CB 0.528 33.041 32.500 0.023 0.000 1.008 164 K HN 0.802 nan 8.250 nan 0.000 0.467 165 A N 3.329 126.158 122.820 0.016 0.000 2.547 165 A HA 0.425 4.745 4.320 0.000 0.000 0.297 165 A C -1.450 176.141 177.584 0.013 0.000 1.056 165 A CA -0.737 51.293 52.037 -0.011 0.000 0.688 165 A CB 1.529 20.499 19.000 -0.051 0.000 1.282 165 A HN 0.699 nan 8.150 nan 0.000 0.400 166 E N 1.445 121.648 120.200 0.005 0.000 2.260 166 E HA 0.354 4.704 4.350 0.000 0.000 0.266 166 E C -0.964 175.685 176.600 0.081 0.000 0.887 166 E CA -0.610 55.836 56.400 0.077 0.000 0.777 166 E CB 0.955 30.717 29.700 0.103 0.000 1.205 166 E HN 0.847 nan 8.360 nan 0.000 0.414 167 H N 2.445 121.586 119.070 0.119 0.000 2.757 167 H HA 0.075 4.631 4.556 0.000 0.000 0.370 167 H C -0.909 174.564 175.328 0.242 0.000 1.172 167 H CA 0.678 56.811 56.048 0.142 0.000 1.426 167 H CB 0.727 30.542 29.762 0.089 0.000 1.438 167 H HN 0.554 nan 8.280 nan 0.000 0.612 168 W N 1.905 123.278 121.300 0.122 0.000 3.624 168 W HA 0.162 4.822 4.660 -0.000 0.000 0.312 168 W C -1.434 175.112 176.519 0.046 0.000 1.203 168 W CA -0.491 56.889 57.345 0.058 0.000 1.225 168 W CB 1.125 30.590 29.460 0.008 0.000 1.321 168 W HN 0.558 nan 8.180 nan 0.000 0.506 169 N N 4.776 123.262 118.700 -0.358 0.000 2.599 169 N HA 0.298 5.038 4.740 0.000 0.000 0.283 169 N C -2.042 173.127 175.510 -0.569 0.000 1.160 169 N CA -0.567 52.309 53.050 -0.288 0.000 0.869 169 N CB 1.047 39.468 38.487 -0.109 0.000 1.448 169 N HN 0.415 nan 8.380 nan 0.000 0.535 170 L N 3.815 124.683 121.223 -0.591 0.000 2.455 170 L HA 0.309 4.649 4.340 0.000 0.000 0.272 170 L C 0.145 176.847 176.870 -0.281 0.000 1.174 170 L CA 0.589 55.100 54.840 -0.549 0.000 0.869 170 L CB 0.425 42.303 42.059 -0.303 0.000 1.130 170 L HN 0.767 nan 8.230 nan 0.000 0.474 171 L N 3.735 124.818 121.223 -0.234 0.000 2.445 171 L HA 0.278 4.618 4.340 0.000 0.000 0.207 171 L C -0.480 176.401 176.870 0.018 0.000 1.053 171 L CA -0.203 54.573 54.840 -0.107 0.000 0.841 171 L CB 0.180 42.168 42.059 -0.119 0.000 1.074 171 L HN 0.636 nan 8.230 nan 0.000 0.479 172 W N 0.295 121.455 121.300 -0.234 0.000 3.573 172 W HA 0.424 5.084 4.660 0.000 0.000 0.306 172 W C -1.284 175.065 176.519 -0.284 0.000 1.227 172 W CA -0.398 56.804 57.345 -0.238 0.000 1.212 172 W CB 1.237 30.549 29.460 -0.247 0.000 1.331 172 W HN -0.238 nan 8.180 nan 0.000 0.524 173 Q N 5.073 124.369 119.800 -0.840 0.000 2.305 173 Q HA 0.450 4.790 4.340 0.000 0.000 0.271 173 Q C -0.753 174.460 176.000 -1.311 0.000 1.046 173 Q CA -0.951 54.379 55.803 -0.787 0.000 0.798 173 Q CB 2.087 30.573 28.738 -0.420 0.000 1.286 173 Q HN 0.617 nan 8.270 nan 0.000 0.435 174 R N 2.293 122.120 120.500 -1.121 0.000 2.594 174 R HA 0.038 4.378 4.340 0.000 0.000 0.272 174 R C -0.102 175.975 176.300 -0.372 0.000 1.074 174 R CA -0.332 55.283 56.100 -0.808 0.000 1.105 174 R CB 0.656 30.742 30.300 -0.357 0.000 1.008 174 R HN 0.640 nan 8.270 nan 0.000 0.472 175 E N 4.782 124.818 120.200 -0.273 0.000 2.414 175 E HA 0.072 4.422 4.350 0.000 0.000 0.263 175 E C -2.101 174.464 176.600 -0.058 0.000 1.000 175 E CA -1.365 54.949 56.400 -0.143 0.000 0.914 175 E CB -0.214 29.423 29.700 -0.105 0.000 0.948 175 E HN 0.384 nan 8.360 nan 0.000 0.444 179 H N 4.259 123.322 119.070 -0.012 0.000 2.645 179 H HA 0.224 4.780 4.556 0.000 0.000 0.257 179 H C -1.980 173.353 175.328 0.007 0.000 1.269 179 H CA -1.755 54.285 56.048 -0.013 0.000 1.409 179 H CB 1.119 30.856 29.762 -0.041 0.000 1.434 179 H HN 0.308 nan 8.280 nan 0.000 0.505 180 P HA -0.056 nan 4.420 nan 0.000 0.224 180 P C 0.259 177.639 177.300 0.133 0.000 1.157 180 P CA 0.455 63.613 63.100 0.096 0.000 0.799 180 P CB 0.310 32.058 31.700 0.079 0.000 0.809 181 F N 1.197 121.153 119.950 0.011 0.000 2.411 181 F HA 0.346 4.873 4.527 0.000 0.000 0.350 181 F C 1.143 176.938 175.800 -0.009 0.000 1.114 181 F CA -0.346 57.647 58.000 -0.011 0.000 1.135 181 F CB 1.015 39.996 39.000 -0.032 0.000 1.120 181 F HN -0.387 nan 8.300 nan 0.000 0.495 182 K N 4.090 124.122 120.400 -0.613 0.000 2.477 182 K HA 0.151 4.471 4.320 0.000 0.000 0.208 182 K C -0.159 176.185 176.600 -0.426 0.000 1.117 182 K CA 0.059 56.130 56.287 -0.359 0.000 1.039 182 K CB 0.462 32.839 32.500 -0.205 0.000 0.937 182 K HN 0.693 nan 8.250 nan 0.000 0.570 183 E N 1.684 121.347 120.200 -0.895 0.000 2.373 183 E HA 0.005 4.355 4.350 0.000 0.000 0.263 183 E C -0.369 176.012 176.600 -0.364 0.000 1.073 183 E CA -0.326 55.737 56.400 -0.563 0.000 0.894 183 E CB 0.704 30.048 29.700 -0.593 0.000 1.008 183 E HN -0.044 nan 8.360 nan 0.000 0.420 184 D N 3.276 123.391 120.400 -0.475 0.000 2.412 184 D HA -0.021 4.620 4.640 0.000 0.000 0.257 184 D C -1.501 174.537 176.300 -0.436 0.000 1.217 184 D CA -1.795 51.642 54.000 -0.937 0.000 0.897 184 D CB 0.946 41.263 40.800 -0.805 0.000 1.132 184 D HN 0.134 nan 8.370 nan 0.000 0.493 185 P HA -0.124 nan 4.420 nan 0.000 0.218 185 P C 1.191 178.384 177.300 -0.179 0.000 1.149 185 P CA 0.939 63.970 63.100 -0.114 0.000 0.817 185 P CB 0.199 31.859 31.700 -0.067 0.000 0.785 186 T N 0.070 114.487 114.554 -0.227 0.000 2.777 186 T HA -0.130 4.221 4.350 0.000 0.000 0.266 186 T C 1.975 176.589 174.700 -0.143 0.000 1.040 186 T CA 1.186 63.148 62.100 -0.229 0.000 1.141 186 T CB -0.444 68.267 68.868 -0.261 0.000 0.868 186 T HN 0.140 nan 8.240 nan 0.000 0.444 187 Q N 1.008 120.731 119.800 -0.129 0.000 2.050 187 Q HA 0.136 4.476 4.340 0.000 0.000 0.202 187 Q C 1.719 177.684 176.000 -0.059 0.000 0.980 187 Q CA 0.807 56.571 55.803 -0.066 0.000 0.840 187 Q CB -0.874 27.812 28.738 -0.087 0.000 0.898 187 Q HN 0.582 nan 8.270 nan 0.000 0.424 192 E N 0.960 121.218 120.200 0.098 0.000 2.437 192 E HA 0.123 4.473 4.350 0.000 0.000 0.189 192 E C 0.370 177.168 176.600 0.330 0.000 1.054 192 E CA 0.450 56.956 56.400 0.176 0.000 0.874 192 E CB 0.814 30.591 29.700 0.127 0.000 1.011 192 E HN 0.513 nan 8.360 nan 0.000 0.474 193 G N 0.939 109.913 108.800 0.291 0.000 2.198 193 G HA2 -0.237 3.723 3.960 0.000 0.000 0.257 193 G HA3 -0.237 3.723 3.960 0.000 0.000 0.257 193 G C 0.210 175.321 174.900 0.352 0.000 1.042 193 G CA 0.173 45.442 45.100 0.281 0.000 0.791 193 G HN 0.331 nan 8.290 nan 0.000 0.502 194 W N -0.622 120.729 121.300 0.086 0.000 2.523 194 W HA 0.485 5.145 4.660 0.000 0.000 0.278 194 W C 1.205 177.782 176.519 0.097 0.000 1.236 194 W CA 1.298 58.697 57.345 0.089 0.000 1.306 194 W CB -0.062 29.460 29.460 0.103 0.000 1.101 194 W HN 0.635 nan 8.180 nan 0.000 0.577 195 L N -3.118 118.306 121.223 0.335 0.000 2.720 195 L HA 0.636 4.976 4.340 0.000 0.000 0.261 195 L C -0.926 176.113 176.870 0.281 0.000 1.046 195 L CA -2.225 52.759 54.840 0.241 0.000 0.886 195 L CB 0.862 43.024 42.059 0.172 0.000 1.493 195 L HN -0.390 nan 8.230 nan 0.000 0.407 196 K N -0.189 120.380 120.400 0.282 0.000 2.512 196 K HA 0.573 4.893 4.320 0.000 0.000 0.263 196 K C -1.100 175.607 176.600 0.179 0.000 0.966 196 K CA -1.006 55.434 56.287 0.255 0.000 0.851 196 K CB 2.804 35.384 32.500 0.133 0.000 1.395 196 K HN 0.575 nan 8.250 nan 0.000 0.440 197 R N 0.496 120.922 120.500 -0.125 0.000 2.537 197 R HA 0.104 4.444 4.340 0.000 0.000 0.280 197 R C 0.488 176.624 176.300 -0.275 0.000 1.058 197 R CA 0.134 55.906 56.100 -0.546 0.000 1.057 197 R CB 0.614 30.544 30.300 -0.616 0.000 0.973 197 R HN 0.785 nan 8.270 nan 0.000 0.438 198 G N 0.092 108.723 108.800 -0.282 0.000 2.621 198 G HA2 -0.050 3.910 3.960 0.000 0.000 0.271 198 G HA3 -0.050 3.910 3.960 0.000 0.000 0.271 198 G C 0.821 175.640 174.900 -0.136 0.000 1.236 198 G CA -0.432 44.584 45.100 -0.141 0.000 0.958 198 G HN 0.580 nan 8.290 nan 0.000 0.512 199 S N -1.194 114.461 115.700 -0.076 0.000 2.383 199 S HA -0.039 4.431 4.470 0.000 0.000 0.227 199 S C 1.642 176.216 174.600 -0.044 0.000 1.026 199 S CA 1.281 59.447 58.200 -0.056 0.000 0.981 199 S CB -0.321 62.861 63.200 -0.030 0.000 0.818 199 S HN 0.585 nan 8.310 nan 0.000 0.472 200 S N 0.723 116.402 115.700 -0.035 0.000 2.617 200 S HA 0.336 4.806 4.470 0.000 0.000 0.269 200 S C 0.019 174.612 174.600 -0.012 0.000 1.292 200 S CA -0.733 57.469 58.200 0.003 0.000 1.010 200 S CB 0.506 63.715 63.200 0.015 0.000 0.944 200 S HN 0.545 nan 8.310 nan 0.000 0.536 201 R N 1.450 121.987 120.500 0.062 0.000 2.583 201 R HA 0.176 4.516 4.340 0.000 0.000 0.274 201 R C 1.063 177.391 176.300 0.046 0.000 0.998 201 R CA 1.214 57.351 56.100 0.062 0.000 1.081 201 R CB -0.533 29.865 30.300 0.163 0.000 0.940 201 R HN 1.024 nan 8.270 nan 0.000 0.413 202 G N 2.913 111.713 108.800 0.000 0.000 2.341 202 G HA2 -0.336 3.624 3.960 0.000 0.000 0.292 202 G HA3 -0.336 3.624 3.960 0.000 0.000 0.292 202 G C -0.213 174.723 174.900 0.059 0.000 1.021 202 G CA 0.839 45.985 45.100 0.076 0.000 0.905 202 G HN 0.672 nan 8.290 nan 0.000 0.508 203 Q N -1.275 118.419 119.800 -0.177 0.000 2.356 203 Q HA 0.646 4.986 4.340 0.000 0.000 0.270 203 Q C -1.050 174.725 176.000 -0.375 0.000 1.058 203 Q CA -1.167 54.572 55.803 -0.108 0.000 0.802 203 Q CB 1.569 30.272 28.738 -0.058 0.000 1.303 203 Q HN 0.298 nan 8.270 nan 0.000 0.444 204 W N 3.305 124.619 121.300 0.022 0.000 2.844 204 W HA 0.594 5.254 4.660 0.000 0.000 0.340 204 W C -0.725 175.674 176.519 -0.200 0.000 1.093 204 W CA -0.548 56.729 57.345 -0.115 0.000 1.212 204 W CB 1.324 30.665 29.460 -0.198 0.000 1.422 204 W HN 0.434 nan 8.180 nan 0.000 0.515 205 I N 3.360 123.931 120.570 0.002 0.000 2.354 205 I HA 0.219 4.389 4.170 0.000 0.000 0.292 205 I C -0.266 175.763 176.117 -0.146 0.000 0.989 205 I CA -1.038 60.239 61.300 -0.039 0.000 1.188 205 I CB 0.893 38.908 38.000 0.024 0.000 1.342 205 I HN 0.276 nan 8.210 nan 0.000 0.457 206 H N 5.133 124.219 119.070 0.027 0.000 2.556 206 H HA 0.307 4.863 4.556 0.000 0.000 0.310 206 H C 0.448 175.746 175.328 -0.049 0.000 1.057 206 H CA -0.355 55.660 56.048 -0.056 0.000 1.264 206 H CB 1.610 31.187 29.762 -0.308 0.000 1.404 206 H HN 0.812 nan 8.280 nan 0.000 0.462 207 G N 3.125 111.977 108.800 0.086 0.000 2.653 207 G HA2 0.045 4.005 3.960 0.000 0.000 0.265 207 G HA3 0.045 4.005 3.960 0.000 0.000 0.265 207 G C -1.376 173.492 174.900 -0.053 0.000 1.237 207 G CA -1.070 44.044 45.100 0.023 0.000 0.946 207 G HN 0.329 nan 8.290 nan 0.000 0.522 208 P HA -0.125 nan 4.420 nan 0.000 0.216 208 P C 1.679 178.842 177.300 -0.229 0.000 1.150 208 P CA 1.318 64.333 63.100 -0.142 0.000 0.843 208 P CB 0.178 31.798 31.700 -0.133 0.000 0.787 209 Q N -1.007 118.570 119.800 -0.371 0.000 2.046 209 Q HA -0.110 4.230 4.340 0.000 0.000 0.200 209 Q C 2.430 178.088 176.000 -0.570 0.000 0.975 209 Q CA 1.874 57.253 55.803 -0.707 0.000 0.836 209 Q CB -1.259 26.582 28.738 -1.495 0.000 0.896 209 Q HN 0.154 nan 8.270 nan 0.000 0.428 210 S N -0.109 115.446 115.700 -0.241 0.000 2.383 210 S HA -0.082 4.388 4.470 0.000 0.000 0.227 210 S C 1.955 176.522 174.600 -0.056 0.000 1.026 210 S CA 0.933 59.197 58.200 0.107 0.000 0.981 210 S CB -0.332 63.070 63.200 0.336 0.000 0.818 210 S HN 0.449 nan 8.310 nan 0.000 0.472 211 A N 1.528 124.250 122.820 -0.164 0.000 1.933 211 A HA -0.044 4.276 4.320 0.000 0.000 0.218 211 A C 2.092 179.617 177.584 -0.097 0.000 1.175 211 A CA 1.807 53.721 52.037 -0.205 0.000 0.628 211 A CB -0.671 18.231 19.000 -0.162 0.000 0.814 211 A HN 0.506 nan 8.150 nan 0.000 0.444 212 R N 0.061 120.491 120.500 -0.118 0.000 2.081 212 R HA -0.069 4.271 4.340 0.000 0.000 0.235 212 R C 1.723 177.947 176.300 -0.126 0.000 1.131 212 R CA 1.579 57.605 56.100 -0.123 0.000 0.960 212 R CB -0.532 29.678 30.300 -0.151 0.000 0.856 212 R HN 0.443 nan 8.270 nan 0.000 0.436 213 I N 0.054 120.584 120.570 -0.067 0.000 2.179 213 I HA -0.216 3.955 4.170 0.000 0.000 0.242 213 I C 1.901 177.859 176.117 -0.265 0.000 1.088 213 I CA 1.265 62.465 61.300 -0.167 0.000 1.357 213 I CB -1.093 36.960 38.000 0.089 0.000 1.051 213 I HN 0.055 nan 8.210 nan 0.000 0.409 214 F N 1.487 121.310 119.950 -0.212 0.000 2.095 214 F HA -0.192 4.335 4.527 0.000 0.000 0.298 214 F C 2.599 178.324 175.800 -0.124 0.000 1.104 214 F CA 1.376 59.313 58.000 -0.106 0.000 1.232 214 F CB -0.657 38.233 39.000 -0.182 0.000 0.987 214 F HN 0.067 nan 8.300 nan 0.000 0.475 215 R N -0.480 120.035 120.500 0.025 0.000 2.189 215 R HA -0.006 4.334 4.340 0.000 0.000 0.218 215 R C 1.961 178.195 176.300 -0.111 0.000 1.074 215 R CA 1.219 57.292 56.100 -0.046 0.000 0.991 215 R CB -1.446 28.817 30.300 -0.062 0.000 0.883 215 R HN 0.269 nan 8.270 nan 0.000 0.457 216 T N 1.104 115.532 114.554 -0.209 0.000 2.770 216 T HA -0.038 4.312 4.350 0.000 0.000 0.263 216 T C 1.522 176.141 174.700 -0.136 0.000 1.039 216 T CA 0.997 62.922 62.100 -0.292 0.000 1.142 216 T CB -0.214 68.317 68.868 -0.561 0.000 0.868 216 T HN 0.025 nan 8.240 nan 0.000 0.435 217 F N 1.701 121.645 119.950 -0.010 0.000 2.126 217 F HA -0.005 4.522 4.527 0.000 0.000 0.299 217 F C 2.479 178.198 175.800 -0.135 0.000 1.096 217 F CA 0.542 58.545 58.000 0.005 0.000 1.255 217 F CB -0.861 38.111 39.000 -0.046 0.000 0.997 217 F HN 0.248 nan 8.300 nan 0.000 0.479 218 E N 0.698 120.906 120.200 0.012 0.000 2.058 218 E HA -0.281 4.069 4.350 0.000 0.000 0.194 218 E C 2.373 178.918 176.600 -0.091 0.000 0.997 218 E CA 1.556 57.904 56.400 -0.087 0.000 0.801 218 E CB -0.159 29.503 29.700 -0.063 0.000 0.746 218 E HN 0.356 nan 8.360 nan 0.000 0.450 219 K N 0.494 120.854 120.400 -0.068 0.000 2.032 219 K HA -0.189 4.131 4.320 0.000 0.000 0.209 219 K C 2.170 178.734 176.600 -0.061 0.000 1.048 219 K CA 1.730 57.973 56.287 -0.074 0.000 0.927 219 K CB -0.216 32.231 32.500 -0.088 0.000 0.712 219 K HN 0.191 nan 8.250 nan 0.000 0.441 220 I N 0.775 121.338 120.570 -0.010 0.000 2.179 220 I HA -0.289 3.881 4.170 0.000 0.000 0.242 220 I C 2.304 178.410 176.117 -0.018 0.000 1.088 220 I CA 1.025 62.343 61.300 0.031 0.000 1.357 220 I CB -0.245 37.855 38.000 0.167 0.000 1.051 220 I HN 0.002 nan 8.210 nan 0.000 0.409 221 V N 0.693 120.572 119.914 -0.058 0.000 2.287 221 V HA -0.296 3.824 4.120 0.000 0.000 0.248 221 V C 2.441 178.376 176.094 -0.264 0.000 1.053 221 V CA 1.771 63.965 62.300 -0.177 0.000 1.027 221 V CB -0.570 31.077 31.823 -0.293 0.000 0.646 221 V HN 0.289 nan 8.190 nan 0.000 0.447 222 L N -0.206 120.861 121.223 -0.260 0.000 1.989 222 L HA -0.226 4.114 4.340 0.000 0.000 0.211 222 L C 2.543 179.307 176.870 -0.177 0.000 1.071 222 L CA 2.159 56.837 54.840 -0.269 0.000 0.749 222 L CB -0.570 41.382 42.059 -0.179 0.000 0.890 222 L HN 0.377 nan 8.230 nan 0.000 0.431 223 E N -1.326 118.804 120.200 -0.116 0.000 2.170 223 E HA -0.107 4.243 4.350 0.000 0.000 0.191 223 E C 1.768 178.327 176.600 -0.069 0.000 0.981 223 E CA 0.603 56.956 56.400 -0.077 0.000 0.830 223 E CB 0.130 29.799 29.700 -0.053 0.000 0.775 223 E HN 0.418 nan 8.360 nan 0.000 0.470 224 E N -0.052 120.106 120.200 -0.070 0.000 2.415 224 E HA 0.077 4.427 4.350 0.000 0.000 0.197 224 E C 1.611 178.146 176.600 -0.109 0.000 1.007 224 E CA 0.222 56.597 56.400 -0.042 0.000 0.890 224 E CB 0.845 30.560 29.700 0.025 0.000 0.891 224 E HN 0.227 nan 8.360 nan 0.000 0.496 225 L N -1.055 120.059 121.223 -0.182 0.000 2.775 225 L HA 0.189 4.529 4.340 0.000 0.000 0.175 225 L C 1.830 178.543 176.870 -0.261 0.000 1.110 225 L CA 0.174 54.849 54.840 -0.275 0.000 0.862 225 L CB -0.148 41.669 42.059 -0.403 0.000 1.381 225 L HN -0.047 nan 8.230 nan 0.000 0.499 226 L N 0.306 121.339 121.223 -0.318 0.000 2.044 226 L HA -0.121 4.219 4.340 0.000 0.000 0.205 226 L C 2.333 179.172 176.870 -0.051 0.000 1.075 226 L CA 1.532 56.199 54.840 -0.288 0.000 0.747 226 L CB -0.448 41.229 42.059 -0.638 0.000 0.903 226 L HN 0.309 nan 8.230 nan 0.000 0.435 227 E N -0.008 120.142 120.200 -0.082 0.000 2.031 227 E HA -0.195 4.155 4.350 0.000 0.000 0.193 227 E C -0.421 176.165 176.600 -0.024 0.000 0.994 227 E CA 1.353 57.737 56.400 -0.026 0.000 0.800 227 E CB -0.921 28.756 29.700 -0.038 0.000 0.752 227 E HN 0.421 nan 8.360 nan 0.000 0.447 228 P HA -0.133 nan 4.420 nan 0.000 0.218 228 P C 0.978 178.251 177.300 -0.045 0.000 1.149 228 P CA 1.116 64.183 63.100 -0.056 0.000 0.817 228 P CB 0.085 31.736 31.700 -0.082 0.000 0.785 229 L N -2.631 118.583 121.223 -0.014 0.000 2.558 229 L HA 0.260 4.600 4.340 0.000 0.000 0.225 229 L C 1.120 177.979 176.870 -0.019 0.000 1.128 229 L CA 0.535 55.382 54.840 0.011 0.000 0.868 229 L CB -0.840 41.279 42.059 0.101 0.000 1.006 229 L HN 0.101 nan 8.230 nan 0.000 0.454 230 G N -0.370 108.436 108.800 0.011 0.000 2.248 230 G HA2 -0.300 3.660 3.960 0.000 0.000 0.263 230 G HA3 -0.300 3.660 3.960 0.000 0.000 0.263 230 G C -0.308 174.541 174.900 -0.085 0.000 1.082 230 G CA -0.457 44.617 45.100 -0.042 0.000 0.863 230 G HN 0.199 nan 8.290 nan 0.000 0.495 231 Y N -0.305 119.999 120.300 0.006 0.000 2.299 231 Y HA 0.627 5.177 4.550 0.000 0.000 0.326 231 Y C 1.243 177.251 175.900 0.180 0.000 1.164 231 Y CA -0.275 57.883 58.100 0.096 0.000 1.234 231 Y CB 0.981 39.515 38.460 0.123 0.000 1.219 231 Y HN 0.263 nan 8.280 nan 0.000 0.497 232 R N 1.890 122.518 120.500 0.213 0.000 2.445 232 R HA 0.266 4.606 4.340 0.000 0.000 0.308 232 R C -0.333 175.818 176.300 -0.248 0.000 0.961 232 R CA -0.850 55.270 56.100 0.034 0.000 0.862 232 R CB 1.500 31.775 30.300 -0.043 0.000 1.144 232 R HN 0.671 nan 8.270 nan 0.000 0.447 236 F N 5.627 125.544 119.950 -0.055 0.000 2.396 236 F HA 0.542 5.070 4.527 0.000 0.000 0.343 236 F C -1.915 173.882 175.800 -0.006 0.000 1.104 236 F CA -3.252 54.746 58.000 -0.004 0.000 1.161 236 F CB -0.027 38.984 39.000 0.020 0.000 1.146 236 F HN 0.112 nan 8.300 nan 0.000 0.522 237 P HA 0.043 nan 4.420 nan 0.000 0.267 237 P C 0.444 177.788 177.300 0.073 0.000 1.200 237 P CA 0.049 63.199 63.100 0.083 0.000 0.772 237 P CB 0.887 32.607 31.700 0.033 0.000 0.855 238 K N 1.296 121.714 120.400 0.030 0.000 2.348 238 K HA 0.193 4.513 4.320 0.000 0.000 0.194 238 K C 0.657 177.242 176.600 -0.025 0.000 1.052 238 K CA 0.181 56.482 56.287 0.024 0.000 1.004 238 K CB 0.194 32.712 32.500 0.028 0.000 0.873 238 K HN 0.413 nan 8.250 nan 0.000 0.523 239 L N 2.796 123.980 121.223 -0.066 0.000 2.278 239 L HA 0.173 4.513 4.340 0.000 0.000 0.287 239 L C -0.860 175.872 176.870 -0.229 0.000 1.072 239 L CA -0.401 54.359 54.840 -0.132 0.000 0.819 239 L CB 0.821 42.811 42.059 -0.114 0.000 1.176 239 L HN -0.261 nan 8.230 nan 0.000 0.435 240 V N 3.446 123.121 119.914 -0.398 0.000 2.394 240 V HA 0.353 4.473 4.120 0.000 0.000 0.282 240 V C 0.566 176.121 176.094 -0.898 0.000 1.031 240 V CA -0.627 61.258 62.300 -0.691 0.000 0.881 240 V CB 1.604 32.798 31.823 -1.049 0.000 0.982 240 V HN 0.842 nan 8.190 nan 0.000 0.451 241 T N 0.056 114.218 114.554 -0.653 0.000 2.902 241 T HA 0.278 4.628 4.350 0.000 0.000 0.280 241 T C 0.768 175.187 174.700 -0.469 0.000 0.992 241 T CA -0.436 61.330 62.100 -0.557 0.000 1.015 241 T CB 0.899 69.617 68.868 -0.251 0.000 1.044 241 T HN 0.585 nan 8.240 nan 0.000 0.520 242 W N 0.057 121.341 121.300 -0.028 0.000 2.342 242 W HA -0.064 4.596 4.660 0.000 0.000 0.297 242 W C 2.571 179.133 176.519 0.072 0.000 1.213 242 W CA 0.878 58.287 57.345 0.107 0.000 1.251 242 W CB -0.221 29.330 29.460 0.152 0.000 1.136 242 W HN 0.926 nan 8.180 nan 0.000 0.526 243 E N 0.754 121.076 120.200 0.203 0.000 2.086 243 E HA -0.274 4.076 4.350 0.000 0.000 0.200 243 E C 1.946 178.595 176.600 0.082 0.000 1.012 243 E CA 2.360 58.828 56.400 0.115 0.000 0.812 243 E CB -0.284 29.457 29.700 0.069 0.000 0.743 243 E HN 0.111 nan 8.360 nan 0.000 0.453 244 V N 0.735 120.689 119.914 0.067 0.000 2.261 244 V HA -0.207 3.913 4.120 0.000 0.000 0.246 244 V C 1.474 177.725 176.094 0.262 0.000 1.047 244 V CA 1.355 63.753 62.300 0.163 0.000 1.015 244 V CB -0.606 31.231 31.823 0.023 0.000 0.642 244 V HN 0.324 nan 8.190 nan 0.000 0.446 248 S N 0.149 115.725 115.700 -0.207 0.000 2.527 248 S HA 0.153 4.623 4.470 0.000 0.000 0.222 248 S C 1.482 175.952 174.600 -0.217 0.000 0.985 248 S CA 1.058 59.218 58.200 -0.066 0.000 0.921 248 S CB 0.557 64.088 63.200 0.553 0.000 0.772 248 S HN 0.521 nan 8.310 nan 0.000 0.529 249 G N 0.753 109.465 108.800 -0.147 0.000 2.199 249 G HA2 -0.326 3.634 3.960 0.000 0.000 0.254 249 G HA3 -0.326 3.634 3.960 0.000 0.000 0.254 249 G C 0.462 175.245 174.900 -0.195 0.000 0.982 249 G CA 0.537 45.523 45.100 -0.191 0.000 0.632 249 G HN 0.653 nan 8.290 nan 0.000 0.529 250 H N 0.472 119.498 119.070 -0.074 0.000 2.456 250 H HA 0.284 4.840 4.556 0.000 0.000 0.296 250 H C 2.821 177.956 175.328 -0.322 0.000 1.079 250 H CA 1.898 57.797 56.048 -0.249 0.000 1.322 250 H CB 0.018 29.499 29.762 -0.469 0.000 1.388 250 H HN 0.617 nan 8.280 nan 0.000 0.538 251 A N 0.818 123.635 122.820 -0.006 0.000 2.225 251 A HA -0.146 4.174 4.320 0.000 0.000 0.215 251 A C 1.912 179.503 177.584 0.012 0.000 1.164 251 A CA 1.067 53.101 52.037 -0.005 0.000 0.710 251 A CB -0.227 18.891 19.000 0.196 0.000 0.780 251 A HN 0.353 nan 8.150 nan 0.000 0.473 252 K N -1.514 118.863 120.400 -0.038 0.000 2.296 252 K HA 0.049 4.369 4.320 0.000 0.000 0.200 252 K C 1.154 177.778 176.600 0.040 0.000 1.048 252 K CA 0.885 57.179 56.287 0.011 0.000 0.966 252 K CB 0.073 32.549 32.500 -0.040 0.000 0.754 252 K HN 0.489 nan 8.250 nan 0.000 0.466 253 G N -0.159 108.591 108.800 -0.084 0.000 4.406 253 G HA2 -0.062 3.898 3.960 0.000 0.000 0.212 253 G HA3 -0.062 3.898 3.960 0.000 0.000 0.212 253 G C 0.355 175.153 174.900 -0.170 0.000 0.941 253 G CA -0.443 44.640 45.100 -0.030 0.000 0.821 253 G HN 0.052 nan 8.290 nan 0.000 0.429 254 V N 0.581 120.210 119.914 -0.476 0.000 3.217 254 V HA 0.027 4.147 4.120 0.000 0.000 0.264 254 V C 2.192 178.013 176.094 -0.454 0.000 1.135 254 V CA 1.254 63.216 62.300 -0.563 0.000 1.142 254 V CB -0.761 30.523 31.823 -0.899 0.000 0.754 254 V HN 0.467 nan 8.190 nan 0.000 0.484 255 Y N 1.289 121.533 120.300 -0.094 0.000 2.139 255 Y HA -0.166 4.384 4.550 0.000 0.000 0.282 255 Y C 0.264 176.216 175.900 0.087 0.000 1.179 255 Y CA 2.120 60.259 58.100 0.065 0.000 1.161 255 Y CB -2.300 36.231 38.460 0.119 0.000 0.970 255 Y HN 0.419 nan 8.280 nan 0.000 0.511 256 P HA -0.118 nan 4.420 nan 0.000 0.225 256 P C 0.384 177.764 177.300 0.134 0.000 1.148 256 P CA 1.624 64.810 63.100 0.143 0.000 0.779 256 P CB 0.041 31.816 31.700 0.124 0.000 0.780 257 E N -1.667 118.585 120.200 0.085 0.000 2.526 257 E HA 0.111 4.461 4.350 0.000 0.000 0.208 257 E C 0.234 176.921 176.600 0.146 0.000 0.997 257 E CA -0.294 56.217 56.400 0.184 0.000 0.961 257 E CB 0.342 30.197 29.700 0.259 0.000 1.030 257 E HN 0.135 nan 8.360 nan 0.000 0.483 258 I N 1.290 121.815 120.570 -0.074 0.000 2.472 258 I HA 0.077 4.248 4.170 0.000 0.000 0.290 258 I C -0.063 175.938 176.117 -0.195 0.000 1.016 258 I CA -0.443 60.726 61.300 -0.218 0.000 1.348 258 I CB 0.025 37.622 38.000 -0.672 0.000 1.417 258 I HN 0.007 nan 8.210 nan 0.000 0.521 259 Y N 5.856 126.153 120.300 -0.006 0.000 2.477 259 Y HA 0.219 4.770 4.550 0.000 0.000 0.349 259 Y C -0.024 175.868 175.900 -0.012 0.000 0.977 259 Y CA -0.076 58.062 58.100 0.064 0.000 1.214 259 Y CB 0.149 38.679 38.460 0.118 0.000 1.124 259 Y HN 0.321 nan 8.280 nan 0.000 0.521 260 Y N 1.755 122.182 120.300 0.212 0.000 2.397 260 Y HA 0.344 4.894 4.550 0.000 0.000 0.335 260 Y C 0.094 176.074 175.900 0.133 0.000 1.213 260 Y CA -0.397 57.817 58.100 0.191 0.000 1.391 260 Y CB 0.599 39.181 38.460 0.203 0.000 1.293 260 Y HN 0.147 nan 8.280 nan 0.000 0.557 261 V N 2.936 122.976 119.914 0.211 0.000 2.409 261 V HA 0.357 4.477 4.120 0.000 0.000 0.291 261 V C -0.833 175.329 176.094 0.113 0.000 1.020 261 V CA -0.914 61.449 62.300 0.105 0.000 0.848 261 V CB 1.189 33.010 31.823 -0.003 0.000 0.990 261 V HN 0.854 nan 8.190 nan 0.000 0.430 262 C N 7.062 126.429 119.300 0.112 0.000 2.369 262 C HA 0.640 5.100 4.460 0.000 0.000 0.322 262 C C -1.884 173.159 174.990 0.089 0.000 1.258 262 C CA -1.189 57.899 59.018 0.116 0.000 1.487 262 C CB 1.233 29.057 27.740 0.140 0.000 2.165 262 C HN 0.716 nan 8.230 nan 0.000 0.483 263 P HA 0.352 nan 4.420 nan 0.000 0.274 263 P C -2.686 174.696 177.300 0.138 0.000 1.256 263 P CA -1.083 62.063 63.100 0.075 0.000 0.795 263 P CB -0.187 31.548 31.700 0.058 0.000 1.038 264 P HA 0.150 nan 4.420 nan 0.000 0.274 264 P C 0.772 178.233 177.300 0.269 0.000 1.231 264 P CA -0.008 63.313 63.100 0.369 0.000 0.790 264 P CB 0.772 32.717 31.700 0.407 0.000 0.951 265 Q N -0.689 119.268 119.800 0.261 0.000 2.170 265 Q HA -0.050 4.290 4.340 0.000 0.000 0.203 265 Q C 0.737 176.682 176.000 -0.092 0.000 0.976 265 Q CA 1.379 57.196 55.803 0.024 0.000 0.858 265 Q CB 0.089 28.784 28.738 -0.071 0.000 0.907 265 Q HN 0.532 nan 8.270 nan 0.000 0.433 266 T N -2.087 112.425 114.554 -0.070 0.000 2.853 266 T HA 0.304 4.654 4.350 0.000 0.000 0.311 266 T C -0.446 174.382 174.700 0.213 0.000 1.307 266 T CA -0.721 61.349 62.100 -0.050 0.000 1.019 266 T CB 1.361 70.060 68.868 -0.281 0.000 1.264 266 T HN -0.017 nan 8.240 nan 0.000 0.497 267 R N 0.769 121.359 120.500 0.149 0.000 2.297 267 R HA 0.108 4.448 4.340 0.000 0.000 0.197 267 R C 0.020 176.456 176.300 0.226 0.000 0.943 267 R CA -0.206 56.004 56.100 0.183 0.000 1.038 267 R CB -0.016 30.336 30.300 0.086 0.000 0.957 267 R HN 0.521 nan 8.270 nan 0.000 0.484 268 D N 2.487 122.999 120.400 0.186 0.000 2.479 268 D HA -0.037 4.603 4.640 0.000 0.000 0.257 268 D C -1.305 175.186 176.300 0.318 0.000 1.230 268 D CA -1.514 52.594 54.000 0.179 0.000 0.912 268 D CB 1.150 42.005 40.800 0.091 0.000 1.130 268 D HN 0.033 nan 8.370 nan 0.000 0.515 269 P HA -0.104 nan 4.420 nan 0.000 0.223 269 P C 0.608 178.055 177.300 0.245 0.000 1.151 269 P CA 0.569 63.836 63.100 0.277 0.000 0.787 269 P CB 0.475 32.275 31.700 0.166 0.000 0.788 270 D N -1.023 119.486 120.400 0.180 0.000 2.178 270 D HA -0.176 4.465 4.640 0.000 0.000 0.201 270 D C 1.827 178.198 176.300 0.119 0.000 0.980 270 D CA 0.977 55.055 54.000 0.129 0.000 0.842 270 D CB -0.990 39.867 40.800 0.096 0.000 0.948 270 D HN 0.230 nan 8.370 nan 0.000 0.472 271 Y N -1.050 119.234 120.300 -0.027 0.000 2.352 271 Y HA -0.117 4.433 4.550 0.000 0.000 0.292 271 Y C 1.246 176.931 175.900 -0.358 0.000 1.136 271 Y CA 1.093 59.062 58.100 -0.219 0.000 1.227 271 Y CB -0.151 38.127 38.460 -0.304 0.000 0.991 271 Y HN -0.041 nan 8.280 nan 0.000 0.545 272 W N -0.065 121.283 121.300 0.081 0.000 3.220 272 W HA 0.188 4.848 4.660 0.000 0.000 0.328 272 W C 2.092 178.619 176.519 0.014 0.000 1.205 272 W CA 0.162 57.517 57.345 0.017 0.000 1.773 272 W CB 0.014 29.526 29.460 0.086 0.000 1.086 272 W HN 0.016 nan 8.180 nan 0.000 0.622 273 E N 1.384 121.692 120.200 0.179 0.000 2.085 273 E HA -0.290 4.060 4.350 0.000 0.000 0.194 273 E C 1.959 178.626 176.600 0.111 0.000 0.994 273 E CA 1.657 58.140 56.400 0.137 0.000 0.801 273 E CB -0.005 29.752 29.700 0.094 0.000 0.743 273 E HN 0.342 nan 8.360 nan 0.000 0.453 274 E N -0.264 119.965 120.200 0.049 0.000 2.118 274 E HA -0.187 4.163 4.350 0.000 0.000 0.195 274 E C 2.016 178.686 176.600 0.117 0.000 0.992 274 E CA 1.317 57.745 56.400 0.047 0.000 0.804 274 E CB 0.167 29.841 29.700 -0.043 0.000 0.741 274 E HN 0.177 nan 8.360 nan 0.000 0.458 275 V N 1.043 121.036 119.914 0.131 0.000 2.307 275 V HA -0.232 3.888 4.120 0.000 0.000 0.245 275 V C 2.458 178.715 176.094 0.272 0.000 1.045 275 V CA 1.775 64.197 62.300 0.204 0.000 1.024 275 V CB -0.735 31.274 31.823 0.310 0.000 0.651 275 V HN 0.422 nan 8.190 nan 0.000 0.449 276 A N -0.022 122.949 122.820 0.252 0.000 1.902 276 A HA -0.253 4.067 4.320 0.000 0.000 0.217 276 A C 1.974 179.708 177.584 0.249 0.000 1.181 276 A CA 2.087 54.272 52.037 0.247 0.000 0.623 276 A CB -0.656 18.460 19.000 0.193 0.000 0.818 276 A HN 0.546 nan 8.150 nan 0.000 0.443 277 D N -1.743 118.772 120.400 0.191 0.000 2.117 277 D HA -0.146 4.494 4.640 0.000 0.000 0.197 277 D C 1.670 178.051 176.300 0.135 0.000 0.987 277 D CA 1.434 55.514 54.000 0.134 0.000 0.829 277 D CB -0.490 40.368 40.800 0.097 0.000 0.961 277 D HN 0.596 nan 8.370 nan 0.000 0.460 278 Y N 0.300 120.648 120.300 0.081 0.000 2.128 278 Y HA -0.334 4.216 4.550 0.000 0.000 0.284 278 Y C 2.376 178.327 175.900 0.085 0.000 1.154 278 Y CA 1.615 59.756 58.100 0.068 0.000 1.149 278 Y CB -0.545 37.963 38.460 0.080 0.000 0.976 278 Y HN 0.002 nan 8.280 nan 0.000 0.505 279 Y N 1.124 121.591 120.300 0.278 0.000 2.145 279 Y HA -0.230 4.320 4.550 0.000 0.000 0.286 279 Y C 2.233 178.218 175.900 0.140 0.000 1.145 279 Y CA 2.240 60.468 58.100 0.214 0.000 1.148 279 Y CB -0.514 38.064 38.460 0.196 0.000 0.981 279 Y HN 0.035 nan 8.280 nan 0.000 0.507 280 K N -0.700 119.666 120.400 -0.057 0.000 2.152 280 K HA -0.139 4.181 4.320 0.000 0.000 0.206 280 K C 1.946 178.363 176.600 -0.305 0.000 1.048 280 K CA 1.531 57.729 56.287 -0.148 0.000 0.933 280 K CB -0.238 32.279 32.500 0.028 0.000 0.721 280 K HN 0.257 nan 8.250 nan 0.000 0.447 281 V N 0.692 120.439 119.914 -0.277 0.000 2.500 281 V HA -0.150 3.970 4.120 0.000 0.000 0.243 281 V C 2.376 178.228 176.094 -0.404 0.000 1.039 281 V CA 2.105 64.217 62.300 -0.314 0.000 1.053 281 V CB -0.025 31.656 31.823 -0.236 0.000 0.695 281 V HN 0.505 nan 8.190 nan 0.000 0.463 282 T N -3.928 110.376 114.554 -0.416 0.000 3.051 282 T HA -0.014 4.336 4.350 0.000 0.000 0.255 282 T C 0.889 175.460 174.700 -0.215 0.000 1.085 282 T CA 0.795 62.692 62.100 -0.339 0.000 1.109 282 T CB -0.373 68.247 68.868 -0.414 0.000 0.921 282 T HN 0.631 nan 8.240 nan 0.000 0.488 283 H N 1.257 120.089 119.070 -0.396 0.000 2.862 283 H HA -0.108 4.448 4.556 0.000 0.000 0.290 283 H C -0.802 174.519 175.328 -0.012 0.000 1.211 283 H CA 0.448 56.234 56.048 -0.436 0.000 1.140 283 H CB -1.458 28.154 29.762 -0.250 0.000 1.341 283 H HN 0.615 nan 8.280 nan 0.000 0.392 284 E N 0.786 121.127 120.200 0.235 0.000 2.241 284 E HA 0.339 4.689 4.350 0.000 0.000 0.263 284 E C -0.436 176.482 176.600 0.529 0.000 0.882 284 E CA -0.625 55.987 56.400 0.354 0.000 0.769 284 E CB 2.920 32.782 29.700 0.271 0.000 1.185 284 E HN 0.154 nan 8.360 nan 0.000 0.415 285 V N 3.757 123.932 119.914 0.434 0.000 2.508 285 V HA 0.277 4.397 4.120 0.000 0.000 0.281 285 V C -2.264 173.940 176.094 0.184 0.000 1.041 285 V CA -1.426 61.057 62.300 0.304 0.000 1.016 285 V CB 0.618 32.493 31.823 0.087 0.000 0.984 285 V HN 0.541 nan 8.190 nan 0.000 0.478 286 P HA 0.209 nan 4.420 nan 0.000 0.247 286 P C 0.935 178.195 177.300 -0.068 0.000 1.756 286 P CA 0.001 63.007 63.100 -0.157 0.000 1.117 286 P CB 0.332 31.690 31.700 -0.570 0.000 1.869 287 T N -0.440 114.110 114.554 -0.008 0.000 2.867 287 T HA -0.171 4.179 4.350 0.000 0.000 0.268 287 T C 1.677 176.379 174.700 0.003 0.000 1.057 287 T CA 0.924 63.035 62.100 0.018 0.000 1.136 287 T CB -0.248 68.641 68.868 0.035 0.000 0.874 287 T HN 0.186 nan 8.240 nan 0.000 0.466 288 K N 0.268 120.651 120.400 -0.029 0.000 2.025 288 K HA -0.018 4.302 4.320 0.000 0.000 0.207 288 K C 2.273 178.844 176.600 -0.048 0.000 1.049 288 K CA 1.286 57.552 56.287 -0.035 0.000 0.933 288 K CB -0.352 32.120 32.500 -0.046 0.000 0.714 288 K HN 0.316 nan 8.250 nan 0.000 0.438 289 L N 1.651 122.819 121.223 -0.092 0.000 2.046 289 L HA -0.106 4.235 4.340 0.000 0.000 0.208 289 L C 1.924 178.765 176.870 -0.049 0.000 1.077 289 L CA 1.466 56.243 54.840 -0.105 0.000 0.747 289 L CB -0.275 41.679 42.059 -0.176 0.000 0.896 289 L HN 0.228 nan 8.230 nan 0.000 0.432 290 I N -0.499 120.087 120.570 0.027 0.000 2.264 290 I HA -0.323 3.847 4.170 0.000 0.000 0.248 290 I C 2.564 178.767 176.117 0.144 0.000 1.111 290 I CA 1.440 62.837 61.300 0.162 0.000 1.382 290 I CB -0.435 37.678 38.000 0.187 0.000 1.060 290 I HN 0.314 nan 8.210 nan 0.000 0.418 291 K N 1.072 121.517 120.400 0.075 0.000 2.097 291 K HA -0.206 4.114 4.320 0.000 0.000 0.206 291 K C 1.885 178.517 176.600 0.053 0.000 1.049 291 K CA 1.513 57.840 56.287 0.067 0.000 0.933 291 K CB 0.027 32.548 32.500 0.036 0.000 0.717 291 K HN 0.381 nan 8.250 nan 0.000 0.442 292 E N 0.065 120.273 120.200 0.014 0.000 2.150 292 E HA -0.148 4.202 4.350 0.000 0.000 0.193 292 E C 1.554 178.161 176.600 0.011 0.000 0.985 292 E CA 0.996 57.393 56.400 -0.005 0.000 0.814 292 E CB 0.161 29.833 29.700 -0.046 0.000 0.752 292 E HN 0.217 nan 8.360 nan 0.000 0.466 293 K N 0.726 121.124 120.400 -0.004 0.000 2.393 293 K HA 0.123 4.444 4.320 0.000 0.000 0.193 293 K C 0.992 177.731 176.600 0.231 0.000 1.026 293 K CA -0.014 56.258 56.287 -0.025 0.000 1.064 293 K CB 0.183 32.354 32.500 -0.548 0.000 0.833 293 K HN 0.217 nan 8.250 nan 0.000 0.521 294 I N -1.820 118.907 120.570 0.260 0.000 2.577 294 I HA 0.439 4.609 4.170 0.000 0.000 0.300 294 I C 0.127 176.351 176.117 0.178 0.000 0.990 294 I CA -0.936 60.535 61.300 0.285 0.000 1.283 294 I CB 1.140 39.290 38.000 0.251 0.000 1.411 294 I HN -0.204 nan 8.210 nan 0.000 0.515 295 A N 4.136 127.053 122.820 0.162 0.000 2.310 295 A HA 0.246 4.566 4.320 0.000 0.000 0.260 295 A C 0.217 177.873 177.584 0.119 0.000 1.112 295 A CA -0.362 51.746 52.037 0.118 0.000 0.804 295 A CB 0.003 19.066 19.000 0.106 0.000 1.081 295 A HN 0.872 nan 8.150 nan 0.000 0.499 296 E N 1.060 121.326 120.200 0.110 0.000 2.415 296 E HA 0.176 4.526 4.350 0.000 0.000 0.262 296 E C -2.121 174.601 176.600 0.203 0.000 1.038 296 E CA -1.137 55.342 56.400 0.132 0.000 0.921 296 E CB 0.075 29.844 29.700 0.114 0.000 0.950 296 E HN 0.434 nan 8.360 nan 0.000 0.438 297 P HA -0.059 nan 4.420 nan 0.000 0.268 297 P C 0.263 177.836 177.300 0.454 0.000 1.204 297 P CA 0.548 63.865 63.100 0.363 0.000 0.768 297 P CB 0.343 32.366 31.700 0.537 0.000 0.842 298 I N -0.528 120.138 120.570 0.159 0.000 3.728 298 I HA 0.380 4.550 4.170 0.000 0.000 0.307 298 I C 0.925 176.610 176.117 -0.721 0.000 1.276 298 I CA 0.106 61.388 61.300 -0.031 0.000 1.285 298 I CB -0.153 37.819 38.000 -0.047 0.000 1.038 298 I HN 0.487 nan 8.210 nan 0.000 0.445 299 G N 0.370 108.641 108.800 -0.882 0.000 2.491 299 G HA2 0.448 4.408 3.960 0.000 0.000 0.183 299 G HA3 0.448 4.408 3.960 0.000 0.000 0.183 299 G C -0.837 173.718 174.900 -0.574 0.000 1.221 299 G CA -0.228 43.987 45.100 -1.475 0.000 0.996 299 G HN 0.548 nan 8.290 nan 0.000 0.474 303 Y N 4.329 124.787 120.300 0.263 0.000 2.447 303 Y HA 0.509 5.060 4.550 0.000 0.000 0.286 303 Y C 1.847 177.830 175.900 0.138 0.000 1.153 303 Y CA 1.849 60.048 58.100 0.165 0.000 1.241 303 Y CB 0.240 38.723 38.460 0.038 0.000 1.284 303 Y HN 0.734 nan 8.280 nan 0.000 0.520 304 A N -0.578 122.375 122.820 0.222 0.000 2.303 304 A HA 0.173 4.493 4.320 0.000 0.000 0.217 304 A C 1.357 179.060 177.584 0.200 0.000 1.205 304 A CA 0.776 52.915 52.037 0.170 0.000 0.875 304 A CB -0.217 18.963 19.000 0.300 0.000 0.910 304 A HN 0.658 nan 8.150 nan 0.000 0.501 305 Q N -1.907 118.022 119.800 0.215 0.000 2.905 305 Q HA -0.377 3.963 4.340 0.000 0.000 0.188 305 Q C 1.651 177.844 176.000 0.322 0.000 2.676 305 Q CA 2.307 58.251 55.803 0.235 0.000 0.553 305 Q CB -2.546 26.298 28.738 0.177 0.000 0.513 305 Q HN 1.107 nan 8.270 nan 0.000 0.638 306 C N -1.913 117.555 119.300 0.280 0.000 2.475 306 C HA 0.157 4.617 4.460 0.000 0.000 0.279 306 C C -0.390 174.750 174.990 0.250 0.000 1.322 306 C CA 0.738 59.882 59.018 0.210 0.000 1.734 306 C CB -1.550 26.281 27.740 0.151 0.000 2.005 306 C HN 0.437 nan 8.230 nan 0.000 0.495 307 P HA -0.117 nan 4.420 nan 0.000 0.216 307 P C -1.134 176.315 177.300 0.248 0.000 1.157 307 P CA 2.793 66.186 63.100 0.488 0.000 0.880 307 P CB -1.244 30.828 31.700 0.620 0.000 0.791 308 P HA -0.172 nan 4.420 nan 0.000 0.222 308 P C 1.510 178.730 177.300 -0.134 0.000 1.147 308 P CA 0.961 64.066 63.100 0.008 0.000 0.790 308 P CB -0.584 31.124 31.700 0.013 0.000 0.780 309 F N -0.118 119.515 119.950 -0.528 0.000 2.161 309 F HA -0.051 4.476 4.527 0.000 0.000 0.300 309 F C 0.989 176.439 175.800 -0.583 0.000 1.089 309 F CA 0.241 57.697 58.000 -0.907 0.000 1.282 309 F CB -0.891 37.009 39.000 -1.834 0.000 1.010 309 F HN -0.210 nan 8.300 nan 0.000 0.485 313 V N -0.635 119.091 119.914 -0.313 0.000 3.643 313 V HA 0.686 4.806 4.120 0.000 0.000 0.280 313 V C 0.935 177.016 176.094 -0.021 0.000 1.351 313 V CA 0.181 62.377 62.300 -0.172 0.000 1.073 313 V CB -0.399 31.302 31.823 -0.203 0.000 0.863 313 V HN 0.327 nan 8.190 nan 0.000 0.436 314 A N 1.327 124.165 122.820 0.030 0.000 2.567 314 A HA 0.449 4.769 4.320 0.000 0.000 0.240 314 A C 1.750 179.388 177.584 0.090 0.000 1.053 314 A CA 0.977 53.117 52.037 0.173 0.000 0.755 314 A CB -0.834 18.328 19.000 0.269 0.000 0.978 314 A HN 1.995 nan 8.150 nan 0.000 0.507 315 G N 1.299 110.163 108.800 0.106 0.000 2.184 315 G HA2 -0.207 3.753 3.960 0.000 0.000 0.264 315 G HA3 -0.207 3.753 3.960 0.000 0.000 0.264 315 G C 0.112 175.037 174.900 0.041 0.000 0.975 315 G CA 0.639 45.775 45.100 0.060 0.000 0.642 315 G HN 0.845 nan 8.290 nan 0.000 0.536 316 E N 0.247 120.472 120.200 0.042 0.000 2.250 316 E HA 0.566 4.916 4.350 0.000 0.000 0.265 316 E C -0.371 176.257 176.600 0.047 0.000 1.033 316 E CA -0.178 56.235 56.400 0.022 0.000 0.888 316 E CB 1.279 30.973 29.700 -0.011 0.000 1.151 316 E HN 0.116 nan 8.360 nan 0.000 0.412 317 T N 1.680 116.257 114.554 0.037 0.000 2.779 317 T HA 0.416 4.766 4.350 0.000 0.000 0.280 317 T C 0.114 174.841 174.700 0.045 0.000 0.987 317 T CA -0.571 61.558 62.100 0.049 0.000 0.966 317 T CB 0.476 69.368 68.868 0.040 0.000 0.933 317 T HN 0.143 nan 8.240 nan 0.000 0.442 318 L N 5.515 126.774 121.223 0.060 0.000 2.276 318 L HA 0.379 4.720 4.340 0.000 0.000 0.286 318 L C -2.144 174.755 176.870 0.049 0.000 1.061 318 L CA -2.254 52.620 54.840 0.057 0.000 0.807 318 L CB 0.853 42.958 42.059 0.075 0.000 1.177 318 L HN 0.318 nan 8.230 nan 0.000 0.429 319 P HA 0.112 nan 4.420 nan 0.000 0.269 319 P C -0.217 177.105 177.300 0.036 0.000 1.209 319 P CA -0.128 62.991 63.100 0.033 0.000 0.776 319 P CB 0.622 32.337 31.700 0.025 0.000 0.876 320 N N 1.025 119.744 118.700 0.032 0.000 2.364 320 N HA -0.161 4.580 4.740 0.000 0.000 0.183 320 N C 1.110 176.635 175.510 0.026 0.000 1.022 320 N CA 1.059 54.129 53.050 0.032 0.000 0.883 320 N CB -0.312 38.191 38.487 0.027 0.000 0.965 320 N HN 0.517 nan 8.380 nan 0.000 0.438 321 E N 0.384 120.596 120.200 0.021 0.000 2.265 321 E HA -0.108 4.242 4.350 0.000 0.000 0.196 321 E C 1.196 177.805 176.600 0.015 0.000 0.996 321 E CA 0.720 57.129 56.400 0.015 0.000 0.832 321 E CB 0.053 29.760 29.700 0.011 0.000 0.756 321 E HN 0.340 nan 8.360 nan 0.000 0.491 322 E N 0.065 120.280 120.200 0.024 0.000 2.371 322 E HA 0.038 4.388 4.350 0.000 0.000 0.194 322 E C 0.853 177.471 176.600 0.029 0.000 1.012 322 E CA 0.153 56.569 56.400 0.027 0.000 0.860 322 E CB -0.032 29.690 29.700 0.038 0.000 0.811 322 E HN 0.439 nan 8.360 nan 0.000 0.502 323 I N -0.486 120.105 120.570 0.036 0.000 2.488 323 I HA 0.396 4.566 4.170 0.000 0.000 0.299 323 I C -2.305 173.828 176.117 0.027 0.000 0.984 323 I CA -2.602 58.726 61.300 0.046 0.000 1.250 323 I CB 1.038 39.081 38.000 0.073 0.000 1.389 323 I HN -0.313 nan 8.210 nan 0.000 0.488 324 P HA 0.142 nan 4.420 nan 0.000 0.275 324 P C -0.523 176.789 177.300 0.020 0.000 1.227 324 P CA -0.205 62.927 63.100 0.054 0.000 0.781 324 P CB 1.408 33.142 31.700 0.057 0.000 0.906 325 V N 4.627 124.574 119.914 0.055 0.000 2.432 325 V HA 0.183 4.303 4.120 0.000 0.000 0.271 325 V C 0.632 176.728 176.094 0.003 0.000 1.046 325 V CA 0.146 62.459 62.300 0.021 0.000 0.945 325 V CB 0.250 32.104 31.823 0.052 0.000 0.992 325 V HN 0.496 nan 8.190 nan 0.000 0.471 326 K N 4.353 124.688 120.400 -0.108 0.000 2.604 326 K HA 0.649 4.969 4.320 0.000 0.000 0.247 326 K C -0.947 175.622 176.600 -0.052 0.000 0.956 326 K CA -0.370 55.764 56.287 -0.255 0.000 0.896 326 K CB 1.988 33.950 32.500 -0.898 0.000 1.131 326 K HN 0.607 nan 8.250 nan 0.000 0.440 327 V N -0.272 119.764 119.914 0.204 0.000 3.102 327 V HA 0.823 4.943 4.120 0.000 0.000 0.312 327 V C -0.991 175.266 176.094 0.271 0.000 1.135 327 V CA -1.055 61.325 62.300 0.133 0.000 1.022 327 V CB 1.374 33.101 31.823 -0.160 0.000 1.056 327 V HN 0.587 nan 8.190 nan 0.000 0.436 328 F N -0.169 119.740 119.950 -0.068 0.000 2.643 328 F HA 0.940 5.467 4.527 0.000 0.000 0.314 328 F C -1.220 174.282 175.800 -0.497 0.000 1.096 328 F CA -0.840 57.028 58.000 -0.221 0.000 0.953 328 F CB 1.801 40.686 39.000 -0.191 0.000 1.345 328 F HN 0.753 nan 8.300 nan 0.000 0.468 329 D N 0.235 120.311 120.400 -0.540 0.000 2.879 329 D HA 0.652 5.292 4.640 0.000 0.000 0.236 329 D C -1.101 175.039 176.300 -0.267 0.000 1.171 329 D CA -0.650 52.887 54.000 -0.771 0.000 0.868 329 D CB 1.535 41.351 40.800 -1.640 0.000 1.598 329 D HN 0.731 nan 8.370 nan 0.000 0.497 330 R N 1.372 121.765 120.500 -0.179 0.000 2.583 330 R HA 0.281 4.621 4.340 0.000 0.000 0.282 330 R C -0.140 176.124 176.300 -0.060 0.000 1.288 330 R CA -0.516 55.547 56.100 -0.061 0.000 1.415 330 R CB -0.536 29.781 30.300 0.027 0.000 1.331 330 R HN 0.181 nan 8.270 nan 0.000 0.719 331 S N -1.751 113.891 115.700 -0.098 0.000 2.557 331 S HA 0.556 5.026 4.470 0.000 0.000 0.223 331 S C 0.794 175.384 174.600 -0.015 0.000 0.969 331 S CA 0.134 58.297 58.200 -0.062 0.000 0.927 331 S CB 0.744 63.890 63.200 -0.091 0.000 0.806 331 S HN 0.654 nan 8.310 nan 0.000 0.489 332 G N 0.918 109.716 108.800 -0.002 0.000 2.335 332 G HA2 0.409 4.369 3.960 0.000 0.000 0.291 332 G HA3 0.409 4.369 3.960 0.000 0.000 0.291 332 G C -1.051 173.818 174.900 -0.051 0.000 1.261 332 G CA -0.151 44.957 45.100 0.013 0.000 0.871 332 G HN 0.591 nan 8.290 nan 0.000 0.491 333 T N -1.266 113.223 114.554 -0.108 0.000 2.902 333 T HA 0.726 5.076 4.350 0.000 0.000 0.283 333 T C 0.039 174.495 174.700 -0.407 0.000 1.009 333 T CA -0.255 61.625 62.100 -0.367 0.000 1.051 333 T CB 1.597 70.220 68.868 -0.409 0.000 0.999 333 T HN 0.728 nan 8.240 nan 0.000 0.474 334 S N 1.738 116.965 115.700 -0.788 0.000 2.565 334 S HA 0.495 4.965 4.470 0.000 0.000 0.290 334 S C -0.644 173.397 174.600 -0.931 0.000 1.150 334 S CA -0.884 56.838 58.200 -0.796 0.000 1.058 334 S CB 0.457 62.901 63.200 -1.261 0.000 1.032 334 S HN 0.759 nan 8.310 nan 0.000 0.510 335 H N 1.439 120.371 119.070 -0.230 0.000 2.717 335 H HA 0.593 5.149 4.556 0.000 0.000 0.366 335 H C -0.370 175.114 175.328 0.259 0.000 1.132 335 H CA -0.662 55.363 56.048 -0.039 0.000 1.180 335 H CB 1.956 31.661 29.762 -0.094 0.000 1.678 335 H HN 0.476 nan 8.280 nan 0.000 0.537 336 R N 1.927 122.740 120.500 0.521 0.000 2.536 336 R HA 0.101 4.441 4.340 0.000 0.000 0.269 336 R C -1.862 174.845 176.300 0.677 0.000 1.113 336 R CA -0.762 55.693 56.100 0.591 0.000 0.948 336 R CB 1.936 32.510 30.300 0.455 0.000 1.237 336 R HN 0.582 nan 8.270 nan 0.000 0.441 337 Y N 3.992 124.545 120.300 0.421 0.000 2.627 337 Y HA 0.189 4.739 4.550 0.000 0.000 0.347 337 Y C -0.249 175.797 175.900 0.243 0.000 1.099 337 Y CA -0.096 58.166 58.100 0.271 0.000 1.408 337 Y CB 0.503 38.934 38.460 -0.049 0.000 1.247 337 Y HN 0.409 nan 8.280 nan 0.000 0.506 338 E N 2.600 122.823 120.200 0.040 0.000 2.390 338 E HA 0.082 4.432 4.350 0.000 0.000 0.261 338 E C 0.281 176.881 176.600 -0.001 0.000 1.076 338 E CA -0.001 56.439 56.400 0.066 0.000 0.905 338 E CB 1.046 30.811 29.700 0.109 0.000 0.984 338 E HN 0.730 nan 8.360 nan 0.000 0.427 339 S N 0.614 116.378 115.700 0.106 0.000 2.640 339 S HA 0.603 5.073 4.470 0.000 0.000 0.262 339 S C 0.857 175.584 174.600 0.212 0.000 1.232 339 S CA -0.055 58.224 58.200 0.132 0.000 0.988 339 S CB 0.798 64.078 63.200 0.133 0.000 1.034 339 S HN 0.836 nan 8.310 nan 0.000 0.569 340 G N -0.227 108.675 108.800 0.171 0.000 2.645 340 G HA2 0.189 4.149 3.960 0.000 0.000 0.246 340 G HA3 0.189 4.149 3.960 0.000 0.000 0.246 340 G C 0.276 175.193 174.900 0.029 0.000 1.322 340 G CA 0.140 45.336 45.100 0.160 0.000 0.898 340 G HN 1.568 nan 8.290 nan 0.000 0.573 341 G N -1.547 107.170 108.800 -0.138 0.000 3.414 341 G HA2 0.538 4.498 3.960 0.000 0.000 0.196 341 G HA3 0.538 4.498 3.960 0.000 0.000 0.196 341 G C 0.052 174.655 174.900 -0.495 0.000 1.486 341 G CA -0.010 44.964 45.100 -0.210 0.000 0.811 341 G HN 0.836 nan 8.290 nan 0.000 0.704 342 I N 2.462 122.826 120.570 -0.342 0.000 2.517 342 I HA 0.276 4.446 4.170 0.000 0.000 0.285 342 I C -0.121 175.787 176.117 -0.348 0.000 1.106 342 I CA -0.174 60.968 61.300 -0.263 0.000 1.402 342 I CB -0.273 37.677 38.000 -0.084 0.000 1.399 342 I HN 0.318 nan 8.210 nan 0.000 0.535 343 H N 4.106 123.266 119.070 0.150 0.000 2.855 343 H HA 0.569 5.125 4.556 0.000 0.000 0.363 343 H C 0.350 175.851 175.328 0.287 0.000 1.185 343 H CA -0.692 55.466 56.048 0.184 0.000 1.174 343 H CB 1.292 31.154 29.762 0.167 0.000 1.857 343 H HN 0.614 nan 8.280 nan 0.000 0.565 344 G N -0.181 108.834 108.800 0.360 0.000 2.509 344 G HA2 0.304 4.264 3.960 0.000 0.000 0.269 344 G HA3 0.304 4.264 3.960 0.000 0.000 0.269 344 G C 1.177 176.179 174.900 0.169 0.000 1.416 344 G CA -0.305 44.935 45.100 0.234 0.000 1.052 344 G HN 0.696 nan 8.290 nan 0.000 0.542 345 I N -1.370 119.102 120.570 -0.163 0.000 3.083 345 I HA 0.001 4.171 4.170 0.000 0.000 0.273 345 I C 2.122 178.267 176.117 0.047 0.000 1.297 345 I CA 1.553 62.768 61.300 -0.141 0.000 1.452 345 I CB -0.125 37.723 38.000 -0.252 0.000 1.078 345 I HN 0.487 nan 8.210 nan 0.000 0.484 346 E N 2.915 123.147 120.200 0.053 0.000 2.338 346 E HA -0.187 4.163 4.350 0.000 0.000 0.197 346 E C 0.814 177.421 176.600 0.012 0.000 1.007 346 E CA 0.805 57.232 56.400 0.044 0.000 0.849 346 E CB -0.065 29.675 29.700 0.066 0.000 0.774 346 E HN 0.680 nan 8.360 nan 0.000 0.506 347 R N 0.693 121.224 120.500 0.051 0.000 2.850 347 R HA 0.256 4.596 4.340 0.000 0.000 0.266 347 R C -0.995 175.398 176.300 0.156 0.000 1.782 347 R CA -0.289 55.798 56.100 -0.020 0.000 1.310 347 R CB 1.242 31.358 30.300 -0.307 0.000 1.337 347 R HN 0.072 nan 8.270 nan 0.000 0.546 348 V N -0.954 119.083 119.914 0.206 0.000 2.994 348 V HA 0.576 4.696 4.120 0.000 0.000 0.318 348 V C 0.056 176.334 176.094 0.306 0.000 1.085 348 V CA -0.541 61.961 62.300 0.337 0.000 0.998 348 V CB 2.200 34.297 31.823 0.456 0.000 1.063 348 V HN 0.386 nan 8.190 nan 0.000 0.447 349 D N 0.294 120.865 120.400 0.284 0.000 2.354 349 D HA 0.173 4.813 4.640 0.000 0.000 0.209 349 D C 0.404 176.797 176.300 0.155 0.000 1.015 349 D CA 0.954 55.119 54.000 0.274 0.000 0.867 349 D CB 0.460 41.426 40.800 0.277 0.000 0.933 349 D HN 0.860 nan 8.370 nan 0.000 0.520 350 E N 0.525 120.797 120.200 0.119 0.000 2.283 350 E HA 0.317 4.667 4.350 0.000 0.000 0.258 350 E C -1.267 175.317 176.600 -0.026 0.000 0.893 350 E CA -0.663 55.628 56.400 -0.181 0.000 0.798 350 E CB 0.688 30.294 29.700 -0.155 0.000 1.242 350 E HN -0.036 nan 8.360 nan 0.000 0.414 351 F N 0.822 120.600 119.950 -0.285 0.000 2.631 351 F HA 0.663 5.190 4.527 0.000 0.000 0.328 351 F C -1.180 174.391 175.800 -0.380 0.000 1.067 351 F CA -1.144 56.760 58.000 -0.161 0.000 0.969 351 F CB 1.102 40.106 39.000 0.007 0.000 1.332 351 F HN 0.264 nan 8.300 nan 0.000 0.490 352 H N 0.445 119.682 119.070 0.277 0.000 2.646 352 H HA 0.557 5.113 4.556 0.000 0.000 0.328 352 H C -0.909 174.496 175.328 0.129 0.000 0.998 352 H CA -0.746 55.380 56.048 0.130 0.000 1.225 352 H CB 1.439 31.318 29.762 0.195 0.000 1.457 352 H HN 0.725 nan 8.280 nan 0.000 0.505 353 R N 3.515 124.092 120.500 0.130 0.000 2.686 353 R HA 0.515 4.855 4.340 0.000 0.000 0.286 353 R C -1.305 174.992 176.300 -0.004 0.000 0.969 353 R CA -0.804 55.344 56.100 0.080 0.000 0.898 353 R CB 1.291 31.701 30.300 0.184 0.000 1.183 353 R HN 0.603 nan 8.270 nan 0.000 0.456 354 I N 3.119 123.646 120.570 -0.071 0.000 2.312 354 I HA 0.190 4.360 4.170 0.000 0.000 0.291 354 I C -0.186 175.904 176.117 -0.044 0.000 1.031 354 I CA -0.445 60.810 61.300 -0.075 0.000 1.293 354 I CB 1.482 39.383 38.000 -0.164 0.000 1.403 354 I HN 0.579 nan 8.210 nan 0.000 0.484 355 E N 7.696 127.890 120.200 -0.009 0.000 2.134 355 E HA 0.524 4.874 4.350 0.000 0.000 0.278 355 E C -1.125 175.522 176.600 0.079 0.000 0.959 355 E CA -0.321 56.114 56.400 0.058 0.000 0.783 355 E CB 0.949 30.730 29.700 0.136 0.000 1.095 355 E HN 0.443 nan 8.360 nan 0.000 0.399 356 I N 4.564 125.198 120.570 0.107 0.000 2.378 356 I HA 0.417 4.588 4.170 0.000 0.000 0.291 356 I C -0.897 175.389 176.117 0.282 0.000 0.992 356 I CA -1.110 60.274 61.300 0.139 0.000 1.154 356 I CB 1.729 39.713 38.000 -0.028 0.000 1.315 356 I HN 0.260 nan 8.210 nan 0.000 0.448 357 V N 5.575 125.673 119.914 0.306 0.000 2.709 357 V HA 0.507 4.627 4.120 0.000 0.000 0.308 357 V C -1.268 175.055 176.094 0.382 0.000 1.062 357 V CA -0.594 61.791 62.300 0.142 0.000 0.901 357 V CB 1.723 33.418 31.823 -0.213 0.000 1.003 357 V HN 0.847 nan 8.190 nan 0.000 0.425 358 W N 4.179 125.558 121.300 0.131 0.000 2.915 358 W HA 0.937 5.597 4.660 0.000 0.000 0.337 358 W C -1.532 175.080 176.519 0.155 0.000 1.102 358 W CA -1.076 56.339 57.345 0.117 0.000 1.224 358 W CB 1.178 30.729 29.460 0.152 0.000 1.416 358 W HN 0.385 nan 8.180 nan 0.000 0.503 359 I N 3.464 124.185 120.570 0.252 0.000 2.533 359 I HA 0.920 5.090 4.170 0.000 0.000 0.290 359 I C 0.322 176.587 176.117 0.246 0.000 1.056 359 I CA -0.847 60.597 61.300 0.241 0.000 1.057 359 I CB 1.948 40.062 38.000 0.190 0.000 1.240 359 I HN 0.931 nan 8.210 nan 0.000 0.423 360 G N 2.548 111.509 108.800 0.268 0.000 2.427 360 G HA2 0.419 4.379 3.960 0.000 0.000 0.306 360 G HA3 0.419 4.379 3.960 0.000 0.000 0.306 360 G C -0.734 174.284 174.900 0.198 0.000 1.280 360 G CA -0.343 44.880 45.100 0.206 0.000 0.837 360 G HN 0.613 nan 8.290 nan 0.000 0.482 361 T N -1.056 113.565 114.554 0.113 0.000 2.795 361 T HA 0.191 4.541 4.350 0.000 0.000 0.314 361 T C 1.516 176.180 174.700 -0.061 0.000 1.069 361 T CA 0.816 62.933 62.100 0.028 0.000 1.071 361 T CB 1.331 70.189 68.868 -0.017 0.000 0.988 361 T HN 0.829 nan 8.240 nan 0.000 0.543 362 K N 0.757 120.926 120.400 -0.385 0.000 2.052 362 K HA -0.283 4.037 4.320 0.000 0.000 0.215 362 K C 2.046 178.433 176.600 -0.356 0.000 1.053 362 K CA 2.372 58.154 56.287 -0.842 0.000 0.934 362 K CB -0.299 31.411 32.500 -1.316 0.000 0.717 362 K HN 0.755 nan 8.250 nan 0.000 0.450 363 E N 0.535 120.599 120.200 -0.227 0.000 2.077 363 E HA -0.168 4.182 4.350 0.000 0.000 0.193 363 E C 1.886 178.479 176.600 -0.013 0.000 0.989 363 E CA 1.708 58.047 56.400 -0.103 0.000 0.800 363 E CB 0.005 29.655 29.700 -0.083 0.000 0.746 363 E HN 0.451 nan 8.360 nan 0.000 0.452 364 E N -0.039 120.173 120.200 0.020 0.000 2.150 364 E HA -0.114 4.236 4.350 0.000 0.000 0.193 364 E C 2.032 178.733 176.600 0.169 0.000 0.985 364 E CA 0.876 57.319 56.400 0.072 0.000 0.814 364 E CB 0.068 29.815 29.700 0.079 0.000 0.752 364 E HN 0.057 nan 8.360 nan 0.000 0.466 365 V N 1.479 121.551 119.914 0.264 0.000 2.358 365 V HA -0.239 3.881 4.120 0.000 0.000 0.246 365 V C 2.234 178.618 176.094 0.483 0.000 1.047 365 V CA 1.404 64.022 62.300 0.530 0.000 1.035 365 V CB -0.368 31.773 31.823 0.530 0.000 0.658 365 V HN 0.283 nan 8.190 nan 0.000 0.452 366 L N -0.442 120.947 121.223 0.276 0.000 2.046 366 L HA -0.157 4.183 4.340 0.000 0.000 0.208 366 L C 2.696 179.650 176.870 0.141 0.000 1.077 366 L CA 1.447 56.419 54.840 0.219 0.000 0.747 366 L CB -0.752 41.381 42.059 0.123 0.000 0.896 366 L HN 0.259 nan 8.230 nan 0.000 0.432 367 K N 0.271 120.719 120.400 0.080 0.000 2.026 367 K HA -0.179 4.142 4.320 0.000 0.000 0.208 367 K C 2.191 178.763 176.600 -0.047 0.000 1.048 367 K CA 1.788 58.086 56.287 0.018 0.000 0.929 367 K CB -0.464 32.036 32.500 0.000 0.000 0.713 367 K HN 0.360 nan 8.250 nan 0.000 0.439 368 C N 0.375 119.613 119.300 -0.102 0.000 2.413 368 C HA -0.100 4.360 4.460 0.000 0.000 0.276 368 C C 2.832 177.514 174.990 -0.515 0.000 1.248 368 C CA 0.902 59.689 59.018 -0.384 0.000 1.742 368 C CB -1.051 26.261 27.740 -0.714 0.000 2.017 368 C HN 0.567 nan 8.230 nan 0.000 0.481 369 A N 0.460 123.129 122.820 -0.252 0.000 1.883 369 A HA -0.182 4.139 4.320 0.000 0.000 0.217 369 A C 2.093 179.618 177.584 -0.098 0.000 1.186 369 A CA 1.731 53.693 52.037 -0.124 0.000 0.624 369 A CB -0.480 18.680 19.000 0.267 0.000 0.822 369 A HN 0.548 nan 8.150 nan 0.000 0.444 370 E N 0.113 120.347 120.200 0.058 0.000 2.077 370 E HA -0.184 4.166 4.350 0.000 0.000 0.193 370 E C 1.917 178.522 176.600 0.007 0.000 0.989 370 E CA 1.346 57.818 56.400 0.120 0.000 0.800 370 E CB -0.447 29.308 29.700 0.092 0.000 0.746 370 E HN 0.773 nan 8.360 nan 0.000 0.452 371 E N 0.398 120.541 120.200 -0.095 0.000 2.070 371 E HA -0.185 4.165 4.350 0.000 0.000 0.197 371 E C 2.316 178.788 176.600 -0.214 0.000 1.004 371 E CA 0.953 57.268 56.400 -0.143 0.000 0.805 371 E CB -0.181 29.418 29.700 -0.168 0.000 0.744 371 E HN 0.171 nan 8.360 nan 0.000 0.451 372 L N 0.405 121.429 121.223 -0.332 0.000 2.017 372 L HA -0.201 4.139 4.340 0.000 0.000 0.208 372 L C 2.532 179.195 176.870 -0.345 0.000 1.073 372 L CA 1.100 55.642 54.840 -0.498 0.000 0.745 372 L CB -0.512 41.192 42.059 -0.591 0.000 0.894 372 L HN 0.228 nan 8.230 nan 0.000 0.432 373 H N -0.158 118.916 119.070 0.007 0.000 2.352 373 H HA -0.177 4.379 4.556 0.000 0.000 0.299 373 H C 1.899 177.275 175.328 0.080 0.000 1.097 373 H CA 1.669 57.831 56.048 0.191 0.000 1.311 373 H CB -0.264 29.607 29.762 0.182 0.000 1.377 373 H HN 0.362 nan 8.280 nan 0.000 0.504 374 D N 0.267 120.722 120.400 0.092 0.000 2.117 374 D HA -0.108 4.532 4.640 0.000 0.000 0.197 374 D C 2.390 178.669 176.300 -0.035 0.000 0.987 374 D CA 0.744 54.753 54.000 0.016 0.000 0.829 374 D CB 0.070 40.853 40.800 -0.028 0.000 0.961 374 D HN 0.190 nan 8.370 nan 0.000 0.460 375 R N -0.241 120.169 120.500 -0.150 0.000 2.090 375 R HA -0.025 4.315 4.340 0.000 0.000 0.228 375 R C 0.829 176.973 176.300 -0.260 0.000 1.110 375 R CA 0.289 56.264 56.100 -0.208 0.000 0.973 375 R CB -0.877 29.221 30.300 -0.337 0.000 0.869 375 R HN 0.278 nan 8.270 nan 0.000 0.440 379 I N 0.738 121.058 120.570 -0.416 0.000 2.179 379 I HA -0.189 3.981 4.170 0.000 0.000 0.242 379 I C 1.388 177.285 176.117 -0.366 0.000 1.088 379 I CA 1.631 62.637 61.300 -0.489 0.000 1.357 379 I CB -0.289 37.395 38.000 -0.526 0.000 1.051 379 I HN 0.142 nan 8.210 nan 0.000 0.409 380 F N 0.631 120.394 119.950 -0.312 0.000 2.293 380 F HA -0.060 4.467 4.527 0.000 0.000 0.297 380 F C 2.295 178.088 175.800 -0.012 0.000 1.089 380 F CA 0.712 58.475 58.000 -0.393 0.000 1.377 380 F CB -1.136 37.243 39.000 -1.034 0.000 1.051 380 F HN 0.088 nan 8.300 nan 0.000 0.511 381 N N 0.138 119.027 118.700 0.315 0.000 2.220 381 N HA -0.096 4.644 4.740 0.000 0.000 0.182 381 N C 1.312 176.928 175.510 0.176 0.000 1.023 381 N CA 1.466 54.736 53.050 0.367 0.000 0.856 381 N CB -0.347 38.372 38.487 0.387 0.000 0.997 381 N HN 0.192 nan 8.380 nan 0.000 0.429 382 D N -0.242 120.177 120.400 0.032 0.000 2.277 382 D HA 0.163 4.803 4.640 0.000 0.000 0.209 382 D C 1.882 178.163 176.300 -0.031 0.000 0.970 382 D CA 0.350 54.343 54.000 -0.012 0.000 0.874 382 D CB 0.530 41.284 40.800 -0.075 0.000 0.982 382 D HN 0.253 nan 8.370 nan 0.000 0.504 383 I N 0.067 120.581 120.570 -0.093 0.000 2.900 383 I HA -0.009 4.161 4.170 0.000 0.000 0.251 383 I C 2.186 178.348 176.117 0.074 0.000 1.102 383 I CA 0.245 61.538 61.300 -0.011 0.000 1.457 383 I CB 0.146 38.108 38.000 -0.062 0.000 1.285 383 I HN -0.181 nan 8.210 nan 0.000 0.459 384 L N 0.123 121.360 121.223 0.024 0.000 2.240 384 L HA -0.048 4.292 4.340 0.000 0.000 0.211 384 L C 0.448 177.414 176.870 0.161 0.000 1.106 384 L CA 0.614 55.474 54.840 0.033 0.000 0.793 384 L CB -0.461 41.556 42.059 -0.070 0.000 0.927 384 L HN 0.340 nan 8.230 nan 0.000 0.446 385 D N 0.766 121.250 120.400 0.140 0.000 2.723 385 D HA -0.190 4.450 4.640 0.000 0.000 0.236 385 D C 0.057 176.451 176.300 0.156 0.000 1.138 385 D CA 0.457 54.555 54.000 0.163 0.000 0.676 385 D CB -0.909 39.976 40.800 0.142 0.000 1.069 385 D HN 0.482 nan 8.370 nan 0.000 0.430 386 I N -2.851 117.821 120.570 0.170 0.000 2.834 386 I HA 0.461 4.631 4.170 0.000 0.000 0.305 386 I C 0.573 176.884 176.117 0.323 0.000 1.008 386 I CA -0.895 60.478 61.300 0.122 0.000 1.273 386 I CB 1.222 39.154 38.000 -0.113 0.000 1.432 386 I HN 0.012 nan 8.210 nan 0.000 0.557 387 E N 5.396 125.722 120.200 0.210 0.000 2.167 387 E HA 0.292 4.642 4.350 0.000 0.000 0.284 387 E C -1.525 175.251 176.600 0.294 0.000 1.016 387 E CA -0.683 55.858 56.400 0.234 0.000 0.817 387 E CB 0.822 30.626 29.700 0.172 0.000 1.080 387 E HN 0.672 nan 8.360 nan 0.000 0.397 388 W N 3.844 125.302 121.300 0.264 0.000 2.988 388 W HA 0.542 5.202 4.660 0.000 0.000 0.355 388 W C -1.468 175.397 176.519 0.576 0.000 1.233 388 W CA -1.041 56.561 57.345 0.428 0.000 1.176 388 W CB 0.371 30.038 29.460 0.346 0.000 1.477 388 W HN 0.636 nan 8.180 nan 0.000 0.582 389 R N 1.261 122.190 120.500 0.716 0.000 2.781 389 R HA 0.789 5.129 4.340 0.000 0.000 0.269 389 R C -1.516 175.008 176.300 0.372 0.000 1.025 389 R CA -1.072 55.221 56.100 0.322 0.000 0.914 389 R CB 2.471 32.835 30.300 0.107 0.000 1.236 389 R HN 0.556 nan 8.270 nan 0.000 0.465 390 K N 0.619 121.082 120.400 0.105 0.000 2.469 390 K HA 0.827 5.147 4.320 0.000 0.000 0.254 390 K C -1.641 174.822 176.600 -0.228 0.000 0.939 390 K CA -1.006 55.211 56.287 -0.116 0.000 0.812 390 K CB 2.599 34.857 32.500 -0.405 0.000 1.301 390 K HN 0.701 nan 8.250 nan 0.000 0.433 391 A N 2.190 124.823 122.820 -0.312 0.000 2.449 391 A HA 0.544 4.864 4.320 0.000 0.000 0.302 391 A C -1.124 176.250 177.584 -0.351 0.000 1.048 391 A CA -0.983 50.727 52.037 -0.545 0.000 0.708 391 A CB 1.561 19.807 19.000 -1.256 0.000 1.274 391 A HN 0.710 nan 8.150 nan 0.000 0.410 392 R N 1.195 121.513 120.500 -0.304 0.000 2.308 392 R HA 0.538 4.878 4.340 0.000 0.000 0.305 392 R C -0.646 175.587 176.300 -0.111 0.000 1.053 392 R CA -0.061 55.952 56.100 -0.145 0.000 0.957 392 R CB 1.131 31.374 30.300 -0.095 0.000 1.022 392 R HN 0.543 nan 8.270 nan 0.000 0.461 411 T N -0.621 114.045 114.554 0.185 0.000 3.067 411 T HA 0.294 4.644 4.350 0.000 0.000 0.261 411 T C 0.627 175.477 174.700 0.249 0.000 1.110 411 T CA 0.424 62.663 62.100 0.233 0.000 1.113 411 T CB -0.329 68.721 68.868 0.304 0.000 0.917 411 T HN 0.052 nan 8.240 nan 0.000 0.499 412 V N 2.309 122.335 119.914 0.186 0.000 2.479 412 V HA 0.618 4.738 4.120 0.000 0.000 0.281 412 V C 1.028 177.157 176.094 0.059 0.000 1.031 412 V CA 0.674 63.013 62.300 0.064 0.000 1.038 412 V CB -0.058 31.713 31.823 -0.086 0.000 0.981 412 V HN 0.934 nan 8.190 nan 0.000 0.478 413 G N 4.131 112.977 108.800 0.077 0.000 2.345 413 G HA2 0.355 4.315 3.960 0.000 0.000 0.285 413 G HA3 0.355 4.315 3.960 0.000 0.000 0.285 413 G C -0.896 174.074 174.900 0.117 0.000 1.297 413 G CA -0.472 44.674 45.100 0.077 0.000 0.875 413 G HN 0.530 nan 8.290 nan 0.000 0.506 414 T N 0.833 115.455 114.554 0.113 0.000 2.841 414 T HA 0.666 5.016 4.350 0.000 0.000 0.283 414 T C -0.455 174.328 174.700 0.139 0.000 1.000 414 T CA -0.234 61.952 62.100 0.143 0.000 0.977 414 T CB 1.665 70.610 68.868 0.129 0.000 0.979 414 T HN 0.584 nan 8.240 nan 0.000 0.446 415 T N 3.446 118.122 114.554 0.203 0.000 2.749 415 T HA 0.378 4.728 4.350 0.000 0.000 0.287 415 T C -0.578 174.253 174.700 0.218 0.000 0.970 415 T CA -0.659 61.549 62.100 0.181 0.000 0.980 415 T CB 0.672 69.704 68.868 0.274 0.000 0.924 415 T HN 0.388 nan 8.240 nan 0.000 0.456 416 D N 2.062 122.531 120.400 0.114 0.000 2.233 416 D HA 0.327 4.967 4.640 0.000 0.000 0.240 416 D C -0.735 175.646 176.300 0.135 0.000 1.074 416 D CA -0.221 53.870 54.000 0.152 0.000 0.838 416 D CB 0.644 41.529 40.800 0.142 0.000 1.124 416 D HN 0.373 nan 8.370 nan 0.000 0.475 417 Y N 1.390 121.635 120.300 -0.092 0.000 2.313 417 Y HA 0.338 4.888 4.550 0.000 0.000 0.332 417 Y C 0.776 176.641 175.900 -0.058 0.000 1.071 417 Y CA -0.295 57.719 58.100 -0.142 0.000 1.169 417 Y CB 0.971 39.012 38.460 -0.698 0.000 1.192 417 Y HN 0.189 nan 8.280 nan 0.000 0.487 418 E N 1.580 122.087 120.200 0.512 0.000 2.288 418 E HA 0.848 5.198 4.350 0.000 0.000 0.268 418 E C -1.257 175.902 176.600 0.931 0.000 0.885 418 E CA -1.164 55.659 56.400 0.705 0.000 0.767 418 E CB 2.240 32.324 29.700 0.640 0.000 1.220 418 E HN 0.646 nan 8.360 nan 0.000 0.427 419 A N 1.052 124.207 122.820 0.559 0.000 2.475 419 A HA 0.551 4.871 4.320 0.000 0.000 0.301 419 A C -0.381 176.797 177.584 -0.677 0.000 1.059 419 A CA -0.889 51.096 52.037 -0.086 0.000 0.710 419 A CB 0.634 19.338 19.000 -0.493 0.000 1.288 419 A HN 0.843 nan 8.150 nan 0.000 0.408 420 C N 0.874 119.278 119.300 -1.493 0.000 2.601 420 C HA 0.723 5.183 4.460 0.000 0.000 0.409 420 C C 0.012 174.513 174.990 -0.815 0.000 1.293 420 C CA -0.744 57.359 59.018 -1.524 0.000 2.101 420 C CB -1.343 25.419 27.740 -1.630 0.000 2.639 420 C HN 0.605 nan 8.230 nan 0.000 0.592 421 L N 4.254 125.092 121.223 -0.641 0.000 2.295 421 L HA 0.332 4.672 4.340 0.000 0.000 0.281 421 L C -1.591 174.982 176.870 -0.495 0.000 1.018 421 L CA -1.620 52.938 54.840 -0.469 0.000 0.841 421 L CB 1.406 43.206 42.059 -0.432 0.000 1.218 421 L HN 0.434 nan 8.230 nan 0.000 0.424 422 P HA -0.252 nan 4.420 nan 0.000 0.217 422 P C 1.374 178.556 177.300 -0.198 0.000 1.151 422 P CA 1.485 64.401 63.100 -0.307 0.000 0.849 422 P CB -0.048 31.529 31.700 -0.206 0.000 0.787 423 Y N -0.412 119.784 120.300 -0.173 0.000 2.384 423 Y HA -0.097 4.453 4.550 0.000 0.000 0.289 423 Y C 1.875 177.712 175.900 -0.106 0.000 1.152 423 Y CA 0.862 58.877 58.100 -0.142 0.000 1.258 423 Y CB -1.340 37.039 38.460 -0.134 0.000 0.979 423 Y HN -0.158 nan 8.280 nan 0.000 0.549 424 R N 1.138 121.247 120.500 -0.652 0.000 2.276 424 R HA 0.239 4.579 4.340 0.000 0.000 0.203 424 R C 0.931 177.101 176.300 -0.218 0.000 1.017 424 R CA 0.599 56.421 56.100 -0.464 0.000 1.010 424 R CB -0.252 29.728 30.300 -0.533 0.000 0.900 424 R HN 0.643 nan 8.270 nan 0.000 0.469 425 G N 0.176 108.867 108.800 -0.182 0.000 2.655 425 G HA2 -0.182 3.779 3.960 0.000 0.000 0.680 425 G HA3 -0.182 3.779 3.960 0.000 0.000 0.680 425 G C -2.145 172.707 174.900 -0.081 0.000 1.302 425 G CA -0.752 44.287 45.100 -0.101 0.000 0.872 425 G HN -0.057 nan 8.290 nan 0.000 0.540 426 P HA 0.073 nan 4.420 nan 0.000 0.217 426 P C 1.006 178.313 177.300 0.012 0.000 1.150 426 P CA 1.616 64.712 63.100 -0.007 0.000 0.832 426 P CB 0.099 31.797 31.700 -0.002 0.000 0.787 427 D N -1.014 119.382 120.400 -0.007 0.000 2.339 427 D HA 0.079 4.719 4.640 0.000 0.000 0.217 427 D C 1.173 177.472 176.300 -0.002 0.000 1.050 427 D CA 0.255 54.253 54.000 -0.003 0.000 0.856 427 D CB -0.254 40.535 40.800 -0.018 0.000 0.922 427 D HN 0.075 nan 8.370 nan 0.000 0.518 428 G N 1.330 110.117 108.800 -0.021 0.000 2.391 428 G HA2 -0.089 3.871 3.960 0.000 0.000 0.234 428 G HA3 -0.089 3.871 3.960 0.000 0.000 0.234 428 G C 0.121 175.049 174.900 0.047 0.000 1.284 428 G CA -0.186 44.884 45.100 -0.050 0.000 0.873 428 G HN 0.083 nan 8.290 nan 0.000 0.549 429 E N 1.463 121.675 120.200 0.020 0.000 2.316 429 E HA 0.097 4.447 4.350 0.000 0.000 0.275 429 E C -0.440 176.254 176.600 0.158 0.000 1.029 429 E CA -0.765 55.684 56.400 0.083 0.000 0.871 429 E CB 0.484 30.191 29.700 0.011 0.000 1.022 429 E HN 0.408 nan 8.360 nan 0.000 0.418 430 W N 3.683 124.934 121.300 -0.082 0.000 2.126 430 W HA 0.186 4.846 4.660 0.000 0.000 0.346 430 W C 0.022 176.543 176.519 0.004 0.000 1.279 430 W CA -0.287 57.037 57.345 -0.035 0.000 1.259 430 W CB 0.146 29.621 29.460 0.025 0.000 1.133 430 W HN 0.411 nan 8.180 nan 0.000 0.592 431 L N 3.069 124.408 121.223 0.193 0.000 2.272 431 L HA 0.259 4.599 4.340 0.000 0.000 0.289 431 L C 0.267 177.306 176.870 0.281 0.000 1.032 431 L CA -0.557 54.376 54.840 0.155 0.000 0.810 431 L CB 0.847 42.933 42.059 0.046 0.000 1.205 431 L HN 0.327 nan 8.230 nan 0.000 0.422 432 E N 4.683 125.020 120.200 0.229 0.000 2.351 432 E HA -0.033 4.317 4.350 0.000 0.000 0.266 432 E C -0.415 176.299 176.600 0.189 0.000 1.031 432 E CA 0.209 56.734 56.400 0.208 0.000 0.911 432 E CB 0.342 30.125 29.700 0.139 0.000 0.986 432 E HN 0.660 nan 8.360 nan 0.000 0.446 433 F N 2.846 122.799 119.950 0.004 0.000 2.798 433 F HA 0.400 4.927 4.527 0.000 0.000 0.328 433 F C -0.232 175.556 175.800 -0.019 0.000 1.098 433 F CA -0.750 57.217 58.000 -0.055 0.000 1.172 433 F CB 0.674 39.561 39.000 -0.188 0.000 1.072 433 F HN 0.299 nan 8.300 nan 0.000 0.555 434 Q N 2.332 121.781 119.800 -0.584 0.000 2.403 434 Q HA 0.367 4.707 4.340 0.000 0.000 0.267 434 Q C -1.931 173.900 176.000 -0.281 0.000 0.991 434 Q CA -0.724 54.748 55.803 -0.551 0.000 0.906 434 Q CB 1.773 29.825 28.738 -1.144 0.000 1.422 434 Q HN 0.408 nan 8.270 nan 0.000 0.400 435 N N 1.031 119.639 118.700 -0.153 0.000 2.284 435 N HA 0.712 5.453 4.740 0.000 0.000 0.289 435 N C -1.735 173.844 175.510 0.116 0.000 1.179 435 N CA -0.581 52.504 53.050 0.059 0.000 0.774 435 N CB 1.868 40.412 38.487 0.095 0.000 1.548 435 N HN 0.267 nan 8.380 nan 0.000 0.473 436 V N 0.679 120.751 119.914 0.264 0.000 2.443 436 V HA 0.542 4.662 4.120 0.000 0.000 0.293 436 V C -0.516 175.764 176.094 0.311 0.000 1.021 436 V CA -0.639 61.848 62.300 0.311 0.000 0.848 436 V CB 1.212 33.172 31.823 0.228 0.000 0.998 436 V HN 0.773 nan 8.190 nan 0.000 0.424 437 S N 5.629 121.489 115.700 0.268 0.000 2.454 437 S HA 0.645 5.115 4.470 0.000 0.000 0.306 437 S C -0.461 174.237 174.600 0.163 0.000 1.100 437 S CA -0.522 57.790 58.200 0.186 0.000 1.087 437 S CB 1.359 64.629 63.200 0.115 0.000 1.019 437 S HN 0.472 nan 8.310 nan 0.000 0.480 438 I N 3.909 124.592 120.570 0.187 0.000 2.297 438 I HA 0.275 4.445 4.170 0.000 0.000 0.291 438 I C 0.522 176.668 176.117 0.047 0.000 1.033 438 I CA -0.434 60.972 61.300 0.177 0.000 1.253 438 I CB 0.656 38.837 38.000 0.302 0.000 1.396 438 I HN 0.581 nan 8.210 nan 0.000 0.476 439 N N 4.719 123.401 118.700 -0.031 0.000 2.336 439 N HA 0.093 4.833 4.740 0.000 0.000 0.189 439 N C 1.237 176.577 175.510 -0.283 0.000 1.113 439 N CA 0.554 53.557 53.050 -0.078 0.000 0.858 439 N CB 0.805 39.311 38.487 0.031 0.000 0.970 439 N HN 0.885 nan 8.380 nan 0.000 0.471 440 G N 2.527 110.986 108.800 -0.568 0.000 2.564 440 G HA2 -0.352 3.608 3.960 0.000 0.000 0.273 440 G HA3 -0.352 3.608 3.960 0.000 0.000 0.273 440 G C 0.185 174.464 174.900 -1.035 0.000 1.242 440 G CA 0.625 44.826 45.100 -1.498 0.000 0.951 440 G HN 0.422 nan 8.290 nan 0.000 0.564 441 D N 0.467 120.336 120.400 -0.886 0.000 2.328 441 D HA 0.066 4.706 4.640 0.000 0.000 0.226 441 D C 1.699 177.872 176.300 -0.211 0.000 1.066 441 D CA 1.165 54.961 54.000 -0.341 0.000 0.861 441 D CB 0.073 40.791 40.800 -0.137 0.000 0.912 441 D HN 0.761 nan 8.370 nan 0.000 0.521 442 K N 0.009 120.256 120.400 -0.256 0.000 2.020 442 K HA -0.277 4.043 4.320 0.000 0.000 0.212 442 K C 1.305 177.708 176.600 -0.329 0.000 1.050 442 K CA 1.429 57.557 56.287 -0.266 0.000 0.929 442 K CB -0.258 32.082 32.500 -0.268 0.000 0.714 442 K HN 0.152 nan 8.250 nan 0.000 0.443 443 Y N -0.068 119.992 120.300 -0.400 0.000 2.184 443 Y HA -0.027 4.523 4.550 0.000 0.000 0.290 443 Y C -0.857 174.750 175.900 -0.489 0.000 1.129 443 Y CA 0.783 58.466 58.100 -0.694 0.000 1.144 443 Y CB -1.100 36.356 38.460 -1.674 0.000 0.995 443 Y HN 0.259 nan 8.280 nan 0.000 0.513 444 P HA -0.196 nan 4.420 nan 0.000 0.216 444 P C 1.432 178.791 177.300 0.098 0.000 1.153 444 P CA 1.794 64.985 63.100 0.151 0.000 0.858 444 P CB 0.100 31.932 31.700 0.221 0.000 0.789 445 K N -0.721 119.682 120.400 0.006 0.000 2.026 445 K HA -0.012 4.309 4.320 0.000 0.000 0.208 445 K C 2.345 178.909 176.600 -0.061 0.000 1.048 445 K CA 1.866 58.140 56.287 -0.022 0.000 0.929 445 K CB -1.605 30.858 32.500 -0.062 0.000 0.713 445 K HN 0.181 nan 8.250 nan 0.000 0.439 446 G N -0.413 108.306 108.800 -0.136 0.000 2.432 446 G HA2 -0.190 3.770 3.960 0.000 0.000 0.219 446 G HA3 -0.190 3.770 3.960 0.000 0.000 0.219 446 G C 1.057 175.764 174.900 -0.321 0.000 1.135 446 G CA 0.377 45.317 45.100 -0.267 0.000 0.767 446 G HN 0.219 nan 8.290 nan 0.000 0.550 447 F N -0.245 119.664 119.950 -0.068 0.000 2.695 447 F HA 0.305 4.832 4.527 0.000 0.000 0.303 447 F C 0.981 176.820 175.800 0.064 0.000 1.091 447 F CA -0.475 57.548 58.000 0.038 0.000 1.300 447 F CB 0.076 39.172 39.000 0.161 0.000 1.071 447 F HN 0.084 nan 8.300 nan 0.000 0.578 448 N N 1.246 120.042 118.700 0.161 0.000 2.681 448 N HA -0.181 4.559 4.740 0.000 0.000 0.259 448 N C -1.435 174.172 175.510 0.161 0.000 1.066 448 N CA 0.237 53.359 53.050 0.119 0.000 0.717 448 N CB -1.131 37.398 38.487 0.070 0.000 0.885 448 N HN 0.000 nan 8.380 nan 0.000 0.547 449 V N 1.470 121.510 119.914 0.209 0.000 2.417 449 V HA 0.477 4.597 4.120 0.000 0.000 0.291 449 V C 0.700 176.900 176.094 0.176 0.000 1.024 449 V CA -0.533 61.896 62.300 0.216 0.000 0.861 449 V CB 1.785 33.810 31.823 0.337 0.000 0.985 449 V HN 0.231 nan 8.190 nan 0.000 0.436 450 K N 2.930 123.410 120.400 0.133 0.000 2.281 450 K HA 0.707 5.027 4.320 0.000 0.000 0.242 450 K C -1.306 175.358 176.600 0.107 0.000 0.971 450 K CA -1.007 55.348 56.287 0.114 0.000 0.834 450 K CB 2.320 34.870 32.500 0.084 0.000 1.181 450 K HN 0.423 nan 8.250 nan 0.000 0.435 451 L N 1.949 123.232 121.223 0.101 0.000 2.334 451 L HA 0.183 4.523 4.340 0.000 0.000 0.275 451 L C 1.354 178.263 176.870 0.064 0.000 1.036 451 L CA 0.289 55.181 54.840 0.086 0.000 0.807 451 L CB 1.551 43.664 42.059 0.091 0.000 1.231 451 L HN 0.737 nan 8.230 nan 0.000 0.438 452 Q N 1.174 121.006 119.800 0.053 0.000 2.061 452 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 452 Q C 1.602 177.625 176.000 0.037 0.000 0.984 452 Q CA 2.342 58.170 55.803 0.041 0.000 0.846 452 Q CB 0.095 28.853 28.738 0.034 0.000 0.902 452 Q HN 0.947 nan 8.270 nan 0.000 0.421 453 S N -1.598 114.125 115.700 0.038 0.000 2.447 453 S HA 0.037 4.507 4.470 0.000 0.000 0.233 453 S C 1.474 176.096 174.600 0.037 0.000 1.006 453 S CA 0.921 59.141 58.200 0.033 0.000 0.957 453 S CB -0.021 63.197 63.200 0.031 0.000 0.773 453 S HN 0.758 nan 8.310 nan 0.000 0.507 454 G N 0.843 109.671 108.800 0.046 0.000 2.175 454 G HA2 -0.186 3.774 3.960 0.000 0.000 0.244 454 G HA3 -0.186 3.774 3.960 0.000 0.000 0.244 454 G C -0.389 174.545 174.900 0.058 0.000 0.982 454 G CA 0.058 45.188 45.100 0.050 0.000 0.641 454 G HN 0.564 nan 8.290 nan 0.000 0.527 455 D N 1.411 121.845 120.400 0.057 0.000 2.372 455 D HA 0.321 4.961 4.640 0.000 0.000 0.243 455 D C 0.580 176.936 176.300 0.093 0.000 1.121 455 D CA -0.046 53.990 54.000 0.060 0.000 0.898 455 D CB 0.661 41.486 40.800 0.040 0.000 1.202 455 D HN 0.206 nan 8.370 nan 0.000 0.428 456 E N 1.162 121.430 120.200 0.113 0.000 2.417 456 E HA 0.064 4.414 4.350 0.000 0.000 0.261 456 E C 0.035 176.780 176.600 0.242 0.000 1.000 456 E CA 0.082 56.596 56.400 0.191 0.000 0.919 456 E CB 0.629 30.484 29.700 0.258 0.000 0.955 456 E HN 0.288 nan 8.360 nan 0.000 0.455 457 L N 3.555 124.943 121.223 0.276 0.000 2.331 457 L HA 0.206 4.546 4.340 0.000 0.000 0.278 457 L C -0.010 177.163 176.870 0.506 0.000 1.106 457 L CA -0.398 54.638 54.840 0.327 0.000 0.824 457 L CB 0.456 42.686 42.059 0.284 0.000 1.142 457 L HN 0.409 nan 8.230 nan 0.000 0.443 458 W N 1.550 122.936 121.300 0.144 0.000 2.758 458 W HA 0.641 5.301 4.660 0.000 0.000 0.355 458 W C 0.039 176.656 176.519 0.164 0.000 1.223 458 W CA -0.662 56.765 57.345 0.136 0.000 1.182 458 W CB 1.629 31.161 29.460 0.120 0.000 1.464 458 W HN 0.462 nan 8.180 nan 0.000 0.630 459 S N -0.243 115.634 115.700 0.296 0.000 2.570 459 S HA 0.896 5.366 4.470 0.000 0.000 0.270 459 S C -0.809 173.675 174.600 -0.194 0.000 1.149 459 S CA -0.569 57.696 58.200 0.108 0.000 0.837 459 S CB 1.689 65.093 63.200 0.339 0.000 1.124 459 S HN 0.866 nan 8.310 nan 0.000 0.465 460 G N -0.601 107.691 108.800 -0.847 0.000 2.730 460 G HA2 0.805 4.765 3.960 0.000 0.000 0.289 460 G HA3 0.805 4.765 3.960 0.000 0.000 0.289 460 G C -0.546 173.450 174.900 -1.505 0.000 1.341 460 G CA -0.419 43.952 45.100 -1.215 0.000 0.932 460 G HN 1.993 nan 8.290 nan 0.000 0.481 461 C N -1.575 117.149 119.300 -0.961 0.000 3.239 461 C HA 0.922 5.382 4.460 0.000 0.000 0.317 461 C C -0.618 174.428 174.990 0.095 0.000 1.310 461 C CA -0.919 57.872 59.018 -0.378 0.000 1.371 461 C CB 1.261 28.913 27.740 -0.148 0.000 1.714 461 C HN 1.268 nan 8.230 nan 0.000 0.473 462 S N 0.142 116.002 115.700 0.266 0.000 2.603 462 S HA 0.744 5.215 4.470 0.000 0.000 0.274 462 S C -0.501 174.190 174.600 0.151 0.000 1.168 462 S CA 0.522 58.879 58.200 0.262 0.000 0.963 462 S CB 1.044 64.472 63.200 0.381 0.000 1.078 462 S HN 2.159 nan 8.310 nan 0.000 0.477 463 G N 2.562 111.415 108.800 0.089 0.000 2.422 463 G HA2 0.563 4.523 3.960 0.000 0.000 0.317 463 G HA3 0.563 4.523 3.960 0.000 0.000 0.317 463 G C -0.908 173.971 174.900 -0.036 0.000 1.210 463 G CA -0.467 44.659 45.100 0.043 0.000 0.930 463 G HN 0.763 nan 8.290 nan 0.000 0.468 464 V N 2.522 122.364 119.914 -0.120 0.000 2.353 464 V HA 0.500 4.620 4.120 0.000 0.000 0.264 464 V C 1.045 176.933 176.094 -0.343 0.000 1.049 464 V CA -0.404 61.691 62.300 -0.340 0.000 0.896 464 V CB 1.037 32.516 31.823 -0.574 0.000 1.025 464 V HN 0.801 nan 8.190 nan 0.000 0.475 465 G N 4.345 112.973 108.800 -0.286 0.000 2.350 465 G HA2 0.447 4.407 3.960 0.000 0.000 0.306 465 G HA3 0.447 4.407 3.960 0.000 0.000 0.306 465 G C 0.683 175.396 174.900 -0.311 0.000 1.094 465 G CA -0.463 44.536 45.100 -0.168 0.000 0.953 465 G HN 0.718 nan 8.290 nan 0.000 0.420 466 L N 1.866 122.909 121.223 -0.300 0.000 2.093 466 L HA -0.052 4.289 4.340 0.000 0.000 0.208 466 L C 2.671 179.189 176.870 -0.587 0.000 1.085 466 L CA 0.934 55.454 54.840 -0.533 0.000 0.755 466 L CB -0.162 41.533 42.059 -0.607 0.000 0.904 466 L HN 0.432 nan 8.230 nan 0.000 0.435 467 E N -0.060 119.993 120.200 -0.245 0.000 2.058 467 E HA -0.180 4.170 4.350 0.000 0.000 0.194 467 E C 2.377 178.974 176.600 -0.005 0.000 0.997 467 E CA 1.002 57.409 56.400 0.012 0.000 0.801 467 E CB -0.038 29.806 29.700 0.241 0.000 0.746 467 E HN 0.210 nan 8.360 nan 0.000 0.450 468 R N -0.490 120.003 120.500 -0.012 0.000 2.066 468 R HA -0.119 4.221 4.340 0.000 0.000 0.232 468 R C 2.062 178.400 176.300 0.064 0.000 1.131 468 R CA 1.137 57.265 56.100 0.046 0.000 0.955 468 R CB -0.740 29.614 30.300 0.091 0.000 0.851 468 R HN 0.309 nan 8.270 nan 0.000 0.432 469 W N 0.971 122.085 121.300 -0.309 0.000 2.338 469 W HA -0.059 4.601 4.660 0.000 0.000 0.304 469 W C 2.517 178.724 176.519 -0.521 0.000 1.212 469 W CA 1.222 58.222 57.345 -0.575 0.000 1.264 469 W CB -0.923 27.939 29.460 -0.996 0.000 1.142 469 W HN 0.188 nan 8.180 nan 0.000 0.512 470 A N 0.058 122.868 122.820 -0.017 0.000 1.902 470 A HA -0.018 4.302 4.320 0.000 0.000 0.217 470 A C 2.160 179.818 177.584 0.124 0.000 1.181 470 A CA 2.595 54.787 52.037 0.258 0.000 0.623 470 A CB -1.246 17.925 19.000 0.285 0.000 0.818 470 A HN 0.149 nan 8.150 nan 0.000 0.443 471 A N -0.638 122.205 122.820 0.038 0.000 1.902 471 A HA 0.034 4.354 4.320 0.000 0.000 0.217 471 A C 2.244 179.795 177.584 -0.055 0.000 1.181 471 A CA 1.780 53.821 52.037 0.007 0.000 0.623 471 A CB -0.843 18.168 19.000 0.017 0.000 0.818 471 A HN 0.352 nan 8.150 nan 0.000 0.443 472 V N -1.355 118.460 119.914 -0.165 0.000 2.244 472 V HA -0.203 3.917 4.120 0.000 0.000 0.244 472 V C 2.254 178.185 176.094 -0.272 0.000 1.042 472 V CA 2.076 64.176 62.300 -0.333 0.000 1.006 472 V CB -0.977 30.412 31.823 -0.724 0.000 0.641 472 V HN 0.620 nan 8.190 nan 0.000 0.446 473 F N 0.416 120.141 119.950 -0.374 0.000 2.095 473 F HA -0.195 4.332 4.527 0.000 0.000 0.298 473 F C 2.014 177.665 175.800 -0.248 0.000 1.104 473 F CA 1.799 59.595 58.000 -0.340 0.000 1.232 473 F CB -0.228 38.581 39.000 -0.319 0.000 0.987 473 F HN 0.016 nan 8.300 nan 0.000 0.475 474 L N -0.540 120.591 121.223 -0.153 0.000 2.240 474 L HA -0.043 4.297 4.340 0.000 0.000 0.211 474 L C 2.647 179.409 176.870 -0.181 0.000 1.106 474 L CA 0.809 55.518 54.840 -0.219 0.000 0.793 474 L CB -0.985 41.041 42.059 -0.055 0.000 0.927 474 L HN 0.209 nan 8.230 nan 0.000 0.446 475 A N -0.567 122.217 122.820 -0.060 0.000 2.014 475 A HA -0.161 4.159 4.320 0.000 0.000 0.218 475 A C 2.203 179.833 177.584 0.077 0.000 1.163 475 A CA 1.141 53.242 52.037 0.108 0.000 0.652 475 A CB -0.179 18.896 19.000 0.124 0.000 0.808 475 A HN 0.457 nan 8.150 nan 0.000 0.449 476 Q N -1.229 118.493 119.800 -0.130 0.000 2.339 476 Q HA 0.043 4.383 4.340 0.000 0.000 0.205 476 Q C 1.149 177.068 176.000 -0.135 0.000 0.925 476 Q CA 0.700 56.444 55.803 -0.098 0.000 0.898 476 Q CB 0.203 28.849 28.738 -0.153 0.000 1.013 476 Q HN 0.367 nan 8.270 nan 0.000 0.504 477 K N -0.643 119.513 120.400 -0.407 0.000 2.425 477 K HA 0.230 4.550 4.320 0.000 0.000 0.201 477 K C 0.673 177.055 176.600 -0.363 0.000 1.128 477 K CA 0.773 56.810 56.287 -0.416 0.000 1.000 477 K CB 1.569 33.539 32.500 -0.884 0.000 0.961 477 K HN 0.227 nan 8.250 nan 0.000 0.555 478 G N 1.357 109.722 108.800 -0.726 0.000 2.760 478 G HA2 -0.239 3.721 3.960 0.000 0.000 0.246 478 G HA3 -0.239 3.721 3.960 0.000 0.000 0.246 478 G C -0.060 174.552 174.900 -0.479 0.000 1.359 478 G CA -0.502 43.739 45.100 -1.432 0.000 0.861 478 G HN 0.056 nan 8.290 nan 0.000 0.541 479 L N 0.531 121.434 121.223 -0.533 0.000 2.585 479 L HA 0.331 4.671 4.340 0.000 0.000 0.226 479 L C 1.097 177.917 176.870 -0.083 0.000 1.113 479 L CA 0.517 55.245 54.840 -0.186 0.000 0.876 479 L CB 0.188 41.948 42.059 -0.498 0.000 1.072 479 L HN 0.642 nan 8.230 nan 0.000 0.468 480 D N -0.140 120.082 120.400 -0.297 0.000 2.316 480 D HA 0.145 4.785 4.640 0.000 0.000 0.245 480 D C -1.716 174.047 176.300 -0.895 0.000 1.171 480 D CA -2.074 51.690 54.000 -0.394 0.000 0.856 480 D CB 1.933 42.593 40.800 -0.233 0.000 1.090 480 D HN -0.073 nan 8.370 nan 0.000 0.476 481 P HA -0.096 nan 4.420 nan 0.000 0.221 481 P C 0.871 177.836 177.300 -0.558 0.000 1.145 481 P CA 0.910 63.215 63.100 -1.325 0.000 0.795 481 P CB 0.245 31.527 31.700 -0.697 0.000 0.775 482 A N -0.246 122.359 122.820 -0.358 0.000 2.015 482 A HA -0.167 4.153 4.320 0.000 0.000 0.219 482 A C 1.881 179.408 177.584 -0.094 0.000 1.163 482 A CA 1.528 53.470 52.037 -0.158 0.000 0.646 482 A CB -0.983 17.947 19.000 -0.115 0.000 0.806 482 A HN 0.156 nan 8.150 nan 0.000 0.448 483 N N -1.269 117.338 118.700 -0.155 0.000 2.353 483 N HA 0.017 4.757 4.740 0.000 0.000 0.185 483 N C -0.426 175.178 175.510 0.156 0.000 1.098 483 N CA 0.020 53.056 53.050 -0.023 0.000 0.872 483 N CB -0.032 38.422 38.487 -0.055 0.000 0.970 483 N HN 0.515 nan 8.380 nan 0.000 0.467 484 W N 2.284 123.628 121.300 0.073 0.000 2.184 484 W HA 0.328 4.988 4.660 0.000 0.000 0.338 484 W C -1.908 174.728 176.519 0.195 0.000 1.257 484 W CA -2.565 54.888 57.345 0.179 0.000 1.243 484 W CB -0.959 28.748 29.460 0.412 0.000 1.122 484 W HN -0.123 nan 8.180 nan 0.000 0.585 485 P HA -0.069 nan 4.420 nan 0.000 0.266 485 P C 0.892 178.385 177.300 0.320 0.000 1.195 485 P CA 0.252 63.540 63.100 0.314 0.000 0.768 485 P CB 0.742 32.612 31.700 0.283 0.000 0.838 486 E N 2.772 123.100 120.200 0.214 0.000 2.086 486 E HA -0.300 4.050 4.350 0.000 0.000 0.200 486 E C 1.387 178.086 176.600 0.163 0.000 1.012 486 E CA 1.800 58.301 56.400 0.168 0.000 0.812 486 E CB -0.338 29.430 29.700 0.114 0.000 0.743 486 E HN 0.367 nan 8.360 nan 0.000 0.453 487 E N -0.586 119.710 120.200 0.160 0.000 2.160 487 E HA -0.180 4.170 4.350 0.000 0.000 0.195 487 E C 1.893 178.581 176.600 0.145 0.000 0.991 487 E CA 0.901 57.377 56.400 0.127 0.000 0.810 487 E CB -0.375 29.390 29.700 0.108 0.000 0.742 487 E HN 0.392 nan 8.360 nan 0.000 0.466 488 F N 1.303 121.289 119.950 0.060 0.000 2.234 488 F HA 0.000 4.528 4.527 0.000 0.000 0.296 488 F C 2.541 178.383 175.800 0.071 0.000 1.089 488 F CA 0.984 58.984 58.000 0.000 0.000 1.343 488 F CB 0.022 38.980 39.000 -0.070 0.000 1.040 488 F HN -0.166 nan 8.300 nan 0.000 0.498 489 R N 0.301 120.945 120.500 0.241 0.000 2.096 489 R HA -0.155 4.185 4.340 0.000 0.000 0.235 489 R C 1.833 178.144 176.300 0.018 0.000 1.127 489 R CA 1.645 57.861 56.100 0.193 0.000 0.968 489 R CB -0.302 30.156 30.300 0.264 0.000 0.861 489 R HN 0.234 nan 8.270 nan 0.000 0.440 490 N N 0.454 119.158 118.700 0.007 0.000 2.309 490 N HA -0.123 4.617 4.740 0.000 0.000 0.182 490 N C 1.370 176.828 175.510 -0.087 0.000 1.018 490 N CA 1.117 54.152 53.050 -0.025 0.000 0.876 490 N CB -0.057 38.430 38.487 0.001 0.000 0.972 490 N HN 0.295 nan 8.380 nan 0.000 0.434 491 R N -0.260 120.140 120.500 -0.168 0.000 2.210 491 R HA 0.173 4.513 4.340 0.000 0.000 0.203 491 R C 1.915 178.033 176.300 -0.303 0.000 1.010 491 R CA 0.129 56.093 56.100 -0.227 0.000 1.008 491 R CB 0.127 30.272 30.300 -0.259 0.000 0.923 491 R HN -0.017 nan 8.270 nan 0.000 0.469 492 V N 0.408 120.096 119.914 -0.377 0.000 2.379 492 V HA 0.011 4.131 4.120 0.000 0.000 0.245 492 V C 1.356 177.358 176.094 -0.154 0.000 1.044 492 V CA 1.644 63.753 62.300 -0.318 0.000 1.036 492 V CB -0.628 31.046 31.823 -0.248 0.000 0.664 492 V HN 0.690 nan 8.190 nan 0.000 0.453 493 G N -0.295 108.444 108.800 -0.102 0.000 2.584 493 G HA2 -0.212 3.748 3.960 0.000 0.000 0.229 493 G HA3 -0.212 3.748 3.960 0.000 0.000 0.229 493 G C -0.213 174.662 174.900 -0.041 0.000 1.320 493 G CA 0.019 45.080 45.100 -0.065 0.000 0.891 493 G HN 0.366 nan 8.290 nan 0.000 0.573 497 K N 0.106 120.436 120.400 -0.117 0.000 2.168 497 K HA 0.592 4.912 4.320 0.000 0.000 0.258 497 K C 0.798 177.318 176.600 -0.134 0.000 1.010 497 K CA -0.100 56.119 56.287 -0.114 0.000 0.929 497 K CB 1.027 33.477 32.500 -0.085 0.000 0.998 497 K HN 0.642 nan 8.250 nan 0.000 0.479 498 G N 1.009 109.730 108.800 -0.133 0.000 2.510 498 G HA2 0.402 4.362 3.960 0.000 0.000 0.280 498 G HA3 0.402 4.362 3.960 0.000 0.000 0.280 498 G C -0.272 174.534 174.900 -0.157 0.000 1.386 498 G CA -0.843 44.175 45.100 -0.136 0.000 1.047 498 G HN 0.480 nan 8.290 nan 0.000 0.527 499 I N 1.038 121.484 120.570 -0.208 0.000 2.331 499 I HA 0.326 4.496 4.170 0.000 0.000 0.292 499 I C -0.027 175.723 176.117 -0.612 0.000 0.998 499 I CA -0.611 60.472 61.300 -0.362 0.000 1.267 499 I CB 1.238 39.027 38.000 -0.351 0.000 1.386 499 I HN 0.127 nan 8.210 nan 0.000 0.476 500 R N 5.980 126.164 120.500 -0.526 0.000 2.407 500 R HA 0.580 4.920 4.340 0.000 0.000 0.303 500 R C -1.164 174.819 176.300 -0.528 0.000 0.981 500 R CA -0.666 55.170 56.100 -0.441 0.000 0.905 500 R CB 1.351 31.544 30.300 -0.179 0.000 1.099 500 R HN 0.299 nan 8.270 nan 0.000 0.459 501 F N 1.131 121.096 119.950 0.026 0.000 2.507 501 F HA 0.440 4.967 4.527 0.000 0.000 0.327 501 F C 1.141 176.954 175.800 0.021 0.000 1.068 501 F CA -0.963 57.050 58.000 0.022 0.000 0.965 501 F CB 0.774 39.788 39.000 0.025 0.000 1.192 501 F HN 0.127 nan 8.300 nan 0.000 0.476 502 L N 0.000 121.351 121.223 0.213 0.000 2.949 502 L HA 0.000 4.340 4.340 0.000 0.000 0.249 502 L CA 0.000 54.912 54.840 0.120 0.000 0.813 502 L CB 0.000 42.112 42.059 0.089 0.000 0.961 502 L HN 0.000 nan 8.230 nan 0.000 0.502