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 2ex2_1_A DATA FIRST_RESID 22 DATA SEQUENCE NVDEYITQLP AGANLALMVQ KVGASAPAID YHSQQMALPA STQKVITALA DATA SEQUENCE ALIQLGPDFR FTTTLETKGN VENGVLKGDL VARFGADPTL KRQDIRNMVA DATA SEQUENCE TLKKSGVNQI DGNVLIDTSI FASHDKAPGW PWNDMTQcFS APPAAAIVDR DATA SEQUENCE NcFSVSLYSA PKPGDMAFIR VASYYPVTMF SQVRTLPRGS AEAQYcELDV DATA SEQUENCE VPGDLNRFTL TGcLPQRSEP LPLAFAVQDG ASYAGAILKY ELKQAGITWS DATA SEQUENCE GTLLRQTQVN EPGTVVASKQ SAPLHDLLKI MLKKSDNMIA DTVFRMIGHA DATA SEQUENCE RFNVPGTWRA GSDAVRQILR QQAGVDIGNT IIADGSGLSR HNLIAPATMM DATA SEQUENCE QVLQYIAQHD NELNFISMLP LAGYDGSLQY RAGLHQAGVD GKVSAKTGSL DATA SEQUENCE QGVYNLAGFI TTASGQRMAF VQYLSGYAVE PADQRNRRIP LVRFESRLYK DATA SEQUENCE DIYQNN 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 22 N HA 0.000 nan 4.740 nan 0.000 0.220 22 N C 0.000 174.882 175.510 -1.047 0.000 1.280 22 N CA 0.000 52.655 53.050 -0.658 0.000 0.885 22 N CB 0.000 38.054 38.487 -0.721 0.000 1.341 23 V N 0.111 119.696 119.914 -0.549 0.000 2.255 23 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 23 V C 1.834 177.693 176.094 -0.392 0.000 1.051 23 V CA 1.900 63.954 62.300 -0.410 0.000 1.018 23 V CB -0.183 31.391 31.823 -0.415 0.000 0.641 23 V HN 0.500 nan 8.190 nan 0.000 0.445 24 D N -0.099 120.088 120.400 -0.356 0.000 2.123 24 D HA -0.226 4.414 4.640 -0.000 0.000 0.196 24 D C 2.180 178.385 176.300 -0.158 0.000 0.992 24 D CA 1.895 55.772 54.000 -0.205 0.000 0.833 24 D CB -0.072 40.670 40.800 -0.097 0.000 0.954 24 D HN 0.816 nan 8.370 nan 0.000 0.455 25 E N 0.067 120.110 120.200 -0.262 0.000 2.106 25 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 25 E C 1.983 178.570 176.600 -0.022 0.000 0.984 25 E CA 0.992 57.288 56.400 -0.173 0.000 0.806 25 E CB -0.780 28.791 29.700 -0.215 0.000 0.750 25 E HN 0.485 nan 8.360 nan 0.000 0.458 26 Y N 0.699 121.013 120.300 0.023 0.000 2.293 26 Y HA -0.062 4.488 4.550 -0.000 0.000 0.291 26 Y C 2.277 178.341 175.900 0.273 0.000 1.137 26 Y CA 0.322 58.493 58.100 0.118 0.000 1.202 26 Y CB -0.164 38.300 38.460 0.007 0.000 0.990 26 Y HN 0.027 nan 8.280 nan 0.000 0.537 27 I N 0.438 121.175 120.570 0.278 0.000 2.335 27 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 27 I C 2.524 178.684 176.117 0.071 0.000 1.129 27 I CA 1.835 63.199 61.300 0.107 0.000 1.402 27 I CB -0.590 37.412 38.000 0.004 0.000 1.069 27 I HN 0.359 nan 8.210 nan 0.000 0.424 28 T N -1.975 112.626 114.554 0.078 0.000 2.977 28 T HA -0.168 4.182 4.350 -0.000 0.000 0.271 28 T C 1.733 176.471 174.700 0.063 0.000 1.105 28 T CA 0.763 62.894 62.100 0.052 0.000 1.116 28 T CB -0.172 68.720 68.868 0.040 0.000 0.878 28 T HN 0.272 nan 8.240 nan 0.000 0.509 29 Q N 0.636 120.508 119.800 0.120 0.000 2.230 29 Q HA 0.272 4.612 4.340 -0.000 0.000 0.202 29 Q C 0.980 177.021 176.000 0.069 0.000 0.963 29 Q CA 0.403 56.276 55.803 0.117 0.000 0.866 29 Q CB -0.355 28.499 28.738 0.193 0.000 0.931 29 Q HN 0.584 nan 8.270 nan 0.000 0.452 30 L N 1.586 122.826 121.223 0.028 0.000 2.439 30 L HA 0.229 4.569 4.340 -0.000 0.000 0.261 30 L C -1.944 174.840 176.870 -0.144 0.000 1.153 30 L CA -2.029 52.768 54.840 -0.072 0.000 0.808 30 L CB -0.067 41.911 42.059 -0.136 0.000 1.126 30 L HN -0.079 nan 8.230 nan 0.000 0.460 31 P HA 0.021 nan 4.420 nan 0.000 0.270 31 P C -0.826 176.370 177.300 -0.174 0.000 1.227 31 P CA -0.403 62.531 63.100 -0.276 0.000 0.788 31 P CB 0.382 31.787 31.700 -0.492 0.000 0.926 32 A N 1.691 124.442 122.820 -0.115 0.000 2.566 32 A HA 0.376 4.696 4.320 -0.000 0.000 0.245 32 A C 1.479 179.024 177.584 -0.064 0.000 1.056 32 A CA 0.771 52.768 52.037 -0.067 0.000 0.757 32 A CB -1.643 17.329 19.000 -0.046 0.000 0.979 32 A HN 0.911 nan 8.150 nan 0.000 0.508 33 G N 0.943 109.721 108.800 -0.037 0.000 2.143 33 G HA2 0.145 4.105 3.960 -0.000 0.000 0.249 33 G HA3 0.145 4.105 3.960 -0.000 0.000 0.249 33 G C 0.570 175.461 174.900 -0.014 0.000 0.981 33 G CA 0.471 45.561 45.100 -0.017 0.000 0.665 33 G HN 2.223 nan 8.290 nan 0.000 0.528 34 A N -0.427 122.371 122.820 -0.037 0.000 2.445 34 A HA 0.601 4.921 4.320 -0.000 0.000 0.242 34 A C 0.347 177.953 177.584 0.037 0.000 1.075 34 A CA 0.471 52.501 52.037 -0.011 0.000 0.777 34 A CB 0.218 19.186 19.000 -0.054 0.000 1.013 34 A HN 0.605 nan 8.150 nan 0.000 0.493 35 N N 0.286 119.027 118.700 0.070 0.000 2.446 35 N HA 0.482 5.222 4.740 -0.000 0.000 0.265 35 N C -1.140 174.459 175.510 0.147 0.000 0.975 35 N CA -0.408 52.705 53.050 0.106 0.000 0.928 35 N CB 1.729 40.261 38.487 0.076 0.000 1.160 35 N HN 0.550 nan 8.380 nan 0.000 0.495 36 L N 2.464 123.823 121.223 0.228 0.000 2.307 36 L HA 0.818 5.158 4.340 -0.000 0.000 0.284 36 L C -0.992 176.144 176.870 0.442 0.000 1.023 36 L CA -0.582 54.428 54.840 0.282 0.000 0.810 36 L CB 1.238 43.408 42.059 0.185 0.000 1.231 36 L HN 0.596 nan 8.230 nan 0.000 0.423 37 A N 5.647 128.691 122.820 0.372 0.000 2.332 37 A HA 0.742 5.062 4.320 -0.000 0.000 0.300 37 A C -1.698 176.061 177.584 0.292 0.000 1.153 37 A CA -0.436 51.816 52.037 0.357 0.000 0.764 37 A CB 1.048 20.221 19.000 0.289 0.000 1.174 37 A HN 0.731 nan 8.150 nan 0.000 0.467 38 L N 2.547 123.942 121.223 0.286 0.000 2.431 38 L HA 0.869 5.209 4.340 -0.000 0.000 0.266 38 L C -0.884 176.078 176.870 0.153 0.000 0.978 38 L CA -0.394 54.575 54.840 0.214 0.000 0.822 38 L CB 1.878 44.082 42.059 0.242 0.000 1.310 38 L HN 0.812 nan 8.230 nan 0.000 0.409 39 M N 5.084 124.747 119.600 0.104 0.000 2.324 39 M HA 0.719 5.199 4.480 -0.000 0.000 0.288 39 M C -2.037 174.328 176.300 0.108 0.000 1.097 39 M CA -0.563 54.787 55.300 0.083 0.000 0.928 39 M CB 2.029 34.654 32.600 0.041 0.000 1.648 39 M HN 0.412 nan 8.290 nan 0.000 0.460 40 V N 3.869 123.843 119.914 0.101 0.000 2.638 40 V HA 0.603 4.723 4.120 -0.000 0.000 0.306 40 V C -1.072 175.077 176.094 0.092 0.000 1.052 40 V CA -0.532 61.843 62.300 0.126 0.000 0.885 40 V CB 1.940 33.820 31.823 0.095 0.000 0.999 40 V HN 0.887 nan 8.190 nan 0.000 0.424 41 Q N 2.942 122.805 119.800 0.105 0.000 2.281 41 Q HA 0.369 4.709 4.340 -0.000 0.000 0.263 41 Q C -0.813 175.247 176.000 0.101 0.000 0.989 41 Q CA -0.766 55.087 55.803 0.083 0.000 0.852 41 Q CB 2.108 30.887 28.738 0.068 0.000 1.337 41 Q HN 0.770 nan 8.270 nan 0.000 0.418 42 K N 2.099 122.548 120.400 0.082 0.000 2.524 42 K HA 0.048 4.368 4.320 -0.000 0.000 0.279 42 K C -0.598 176.057 176.600 0.092 0.000 0.993 42 K CA -0.088 56.249 56.287 0.083 0.000 1.030 42 K CB 0.531 33.062 32.500 0.053 0.000 0.891 42 K HN 0.454 nan 8.250 nan 0.000 0.488 43 V N 4.493 124.472 119.914 0.107 0.000 2.540 43 V HA 0.076 4.196 4.120 -0.000 0.000 0.297 43 V C 1.481 177.606 176.094 0.052 0.000 1.024 43 V CA 1.601 63.960 62.300 0.098 0.000 1.105 43 V CB 0.291 32.163 31.823 0.082 0.000 0.938 43 V HN 1.162 nan 8.190 nan 0.000 0.482 44 G N 3.796 112.624 108.800 0.047 0.000 2.225 44 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.254 44 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.254 44 G C 0.448 175.365 174.900 0.029 0.000 0.988 44 G CA 0.241 45.356 45.100 0.025 0.000 0.625 44 G HN 1.485 nan 8.290 nan 0.000 0.527 45 A N 0.285 123.127 122.820 0.038 0.000 2.332 45 A HA 0.758 5.078 4.320 -0.000 0.000 0.258 45 A C 1.555 179.161 177.584 0.037 0.000 1.087 45 A CA 1.120 53.177 52.037 0.034 0.000 0.802 45 A CB 0.663 19.684 19.000 0.035 0.000 1.042 45 A HN 1.421 nan 8.150 nan 0.000 0.489 46 S N 0.197 115.915 115.700 0.031 0.000 2.483 46 S HA 0.431 4.901 4.470 -0.000 0.000 0.221 46 S C 0.785 175.404 174.600 0.031 0.000 1.030 46 S CA 0.476 58.695 58.200 0.032 0.000 0.925 46 S CB -0.114 63.103 63.200 0.027 0.000 0.795 46 S HN 1.412 nan 8.310 nan 0.000 0.511 47 A N 3.327 126.164 122.820 0.029 0.000 2.317 47 A HA 0.749 5.069 4.320 -0.000 0.000 0.327 47 A C -2.727 174.876 177.584 0.032 0.000 1.178 47 A CA -2.024 50.030 52.037 0.028 0.000 0.817 47 A CB 0.525 19.538 19.000 0.022 0.000 1.189 47 A HN 0.257 nan 8.150 nan 0.000 0.489 48 P HA 0.309 nan 4.420 nan 0.000 0.275 48 P C 0.534 177.854 177.300 0.034 0.000 1.228 48 P CA 0.088 63.212 63.100 0.040 0.000 0.786 48 P CB 1.587 33.312 31.700 0.042 0.000 0.927 49 A N 3.517 126.359 122.820 0.037 0.000 1.935 49 A HA 0.119 4.439 4.320 -0.000 0.000 0.214 49 A C 1.152 178.751 177.584 0.025 0.000 1.178 49 A CA 0.925 52.978 52.037 0.027 0.000 0.640 49 A CB -0.407 18.608 19.000 0.025 0.000 0.825 49 A HN 0.564 nan 8.150 nan 0.000 0.447 50 I N 0.022 120.614 120.570 0.036 0.000 2.498 50 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 50 I C -1.551 174.604 176.117 0.062 0.000 1.032 50 I CA -0.623 60.701 61.300 0.041 0.000 1.073 50 I CB 2.145 40.161 38.000 0.028 0.000 1.251 50 I HN 0.026 nan 8.210 nan 0.000 0.426 51 D N 5.922 126.365 120.400 0.071 0.000 2.386 51 D HA 0.192 4.832 4.640 -0.000 0.000 0.247 51 D C -1.831 174.530 176.300 0.102 0.000 1.336 51 D CA -0.256 53.791 54.000 0.077 0.000 0.976 51 D CB 1.016 41.843 40.800 0.046 0.000 1.257 51 D HN 0.352 nan 8.370 nan 0.000 0.570 52 Y N 4.750 125.036 120.300 -0.024 0.000 2.447 52 Y HA 0.288 4.838 4.550 -0.000 0.000 0.325 52 Y C -0.175 175.707 175.900 -0.029 0.000 0.976 52 Y CA -0.470 57.564 58.100 -0.110 0.000 1.280 52 Y CB 0.139 38.548 38.460 -0.085 0.000 1.104 52 Y HN 0.435 nan 8.280 nan 0.000 0.486 53 H N 2.023 120.956 119.070 -0.229 0.000 2.791 53 H HA -0.201 4.355 4.556 -0.000 0.000 0.302 53 H C 1.496 176.818 175.328 -0.010 0.000 1.198 53 H CA 0.911 56.865 56.048 -0.157 0.000 1.145 53 H CB -1.552 28.085 29.762 -0.208 0.000 1.385 53 H HN 0.628 nan 8.280 nan 0.000 0.409 54 S N -1.420 114.345 115.700 0.108 0.000 2.481 54 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 54 S C 1.774 176.421 174.600 0.078 0.000 0.996 54 S CA 1.238 59.493 58.200 0.092 0.000 0.942 54 S CB 0.280 63.519 63.200 0.065 0.000 0.768 54 S HN 0.439 nan 8.310 nan 0.000 0.520 55 Q N 0.519 120.362 119.800 0.072 0.000 2.425 55 Q HA 0.233 4.573 4.340 -0.000 0.000 0.204 55 Q C -0.011 176.023 176.000 0.057 0.000 0.933 55 Q CA 0.252 56.089 55.803 0.057 0.000 0.939 55 Q CB 0.181 28.944 28.738 0.041 0.000 1.044 55 Q HN 0.472 nan 8.270 nan 0.000 0.513 56 Q N 0.423 120.263 119.800 0.067 0.000 2.314 56 Q HA 0.126 4.466 4.340 -0.000 0.000 0.258 56 Q C -0.196 175.851 176.000 0.078 0.000 0.954 56 Q CA 0.144 55.971 55.803 0.040 0.000 0.890 56 Q CB 0.695 29.433 28.738 -0.000 0.000 1.210 56 Q HN 0.241 nan 8.270 nan 0.000 0.410 57 M N 1.363 120.994 119.600 0.051 0.000 2.245 57 M HA 0.421 4.901 4.480 -0.000 0.000 0.344 57 M C -0.021 176.313 176.300 0.058 0.000 1.170 57 M CA 0.037 55.374 55.300 0.061 0.000 1.135 57 M CB 0.244 32.861 32.600 0.029 0.000 1.574 57 M HN 0.687 nan 8.290 nan 0.000 0.452 58 A N 3.000 125.847 122.820 0.046 0.000 2.594 58 A HA 0.748 5.068 4.320 -0.000 0.000 0.291 58 A C -1.149 176.335 177.584 -0.167 0.000 1.105 58 A CA -0.836 51.176 52.037 -0.041 0.000 0.694 58 A CB 1.173 20.170 19.000 -0.005 0.000 1.291 58 A HN 0.757 nan 8.150 nan 0.000 0.410 59 L N 2.154 123.259 121.223 -0.196 0.000 2.418 59 L HA 0.242 4.582 4.340 -0.000 0.000 0.274 59 L C -1.089 175.520 176.870 -0.436 0.000 1.135 59 L CA -1.186 53.521 54.840 -0.221 0.000 0.870 59 L CB 1.151 43.115 42.059 -0.158 0.000 1.154 59 L HN 0.633 nan 8.230 nan 0.000 0.462 60 P HA -0.038 nan 4.420 nan 0.000 0.227 60 P C 0.755 177.904 177.300 -0.253 0.000 1.161 60 P CA 1.022 63.824 63.100 -0.498 0.000 0.788 60 P CB 0.450 32.038 31.700 -0.188 0.000 0.822 61 A N 0.489 123.200 122.820 -0.182 0.000 5.695 61 A HA -0.260 4.060 4.320 -0.000 0.000 0.297 61 A C 1.764 179.301 177.584 -0.077 0.000 1.947 61 A CA 1.606 53.564 52.037 -0.132 0.000 0.717 61 A CB -2.395 16.516 19.000 -0.148 0.000 1.252 61 A HN 0.191 nan 8.150 nan 0.000 0.378 62 S N 0.294 115.957 115.700 -0.062 0.000 2.547 62 S HA -0.013 4.457 4.470 -0.000 0.000 0.235 62 S C 1.884 176.498 174.600 0.023 0.000 0.980 62 S CA 1.907 60.092 58.200 -0.025 0.000 0.941 62 S CB -0.809 62.370 63.200 -0.035 0.000 0.763 62 S HN 1.643 nan 8.310 nan 0.000 0.532 63 T N -0.448 114.132 114.554 0.045 0.000 2.977 63 T HA -0.125 4.225 4.350 -0.000 0.000 0.271 63 T C 1.613 176.376 174.700 0.105 0.000 1.105 63 T CA 1.101 63.262 62.100 0.101 0.000 1.116 63 T CB -0.327 68.663 68.868 0.203 0.000 0.878 63 T HN 0.229 nan 8.240 nan 0.000 0.509 64 Q N 1.606 121.448 119.800 0.070 0.000 2.234 64 Q HA -0.051 4.289 4.340 -0.000 0.000 0.206 64 Q C 2.070 178.133 176.000 0.106 0.000 0.980 64 Q CA 1.542 57.392 55.803 0.078 0.000 0.869 64 Q CB -0.433 28.325 28.738 0.034 0.000 0.912 64 Q HN 0.642 nan 8.270 nan 0.000 0.436 65 K N -1.125 119.333 120.400 0.097 0.000 2.283 65 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 65 K C 1.822 178.524 176.600 0.171 0.000 1.048 65 K CA 0.983 57.341 56.287 0.118 0.000 0.948 65 K CB 0.093 32.643 32.500 0.083 0.000 0.742 65 K HN 0.074 nan 8.250 nan 0.000 0.458 66 V N 1.711 121.739 119.914 0.190 0.000 2.295 66 V HA -0.259 3.860 4.120 -0.000 0.000 0.246 66 V C 2.129 178.392 176.094 0.283 0.000 1.049 66 V CA 1.656 64.137 62.300 0.301 0.000 1.024 66 V CB -0.343 31.604 31.823 0.207 0.000 0.648 66 V HN 0.269 nan 8.190 nan 0.000 0.447 67 I N 0.006 120.685 120.570 0.182 0.000 2.208 67 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 67 I C 2.552 178.781 176.117 0.188 0.000 1.097 67 I CA 1.961 63.354 61.300 0.156 0.000 1.363 67 I CB -0.627 37.453 38.000 0.134 0.000 1.051 67 I HN 0.340 nan 8.210 nan 0.000 0.413 68 T N 0.685 115.367 114.554 0.213 0.000 2.708 68 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 68 T C 2.055 176.874 174.700 0.199 0.000 1.037 68 T CA 1.509 63.749 62.100 0.233 0.000 1.146 68 T CB -0.378 68.638 68.868 0.246 0.000 0.865 68 T HN 0.490 nan 8.240 nan 0.000 0.435 69 A N 1.177 124.127 122.820 0.216 0.000 1.902 69 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 69 A C 2.261 180.035 177.584 0.317 0.000 1.181 69 A CA 1.396 53.550 52.037 0.194 0.000 0.623 69 A CB -0.784 18.262 19.000 0.077 0.000 0.818 69 A HN 0.414 nan 8.150 nan 0.000 0.443 70 L N -0.324 121.153 121.223 0.423 0.000 2.027 70 L HA 0.012 4.352 4.340 -0.000 0.000 0.206 70 L C 2.637 179.592 176.870 0.142 0.000 1.074 70 L CA 2.276 57.305 54.840 0.314 0.000 0.745 70 L CB -0.807 41.334 42.059 0.137 0.000 0.898 70 L HN 0.308 nan 8.230 nan 0.000 0.433 71 A N -0.422 122.453 122.820 0.091 0.000 1.933 71 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 71 A C 2.438 180.019 177.584 -0.005 0.000 1.175 71 A CA 1.723 53.769 52.037 0.016 0.000 0.628 71 A CB -1.141 17.865 19.000 0.010 0.000 0.814 71 A HN 0.604 nan 8.150 nan 0.000 0.444 72 A N -0.150 122.688 122.820 0.030 0.000 1.877 72 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 72 A C 2.158 179.736 177.584 -0.009 0.000 1.186 72 A CA 1.480 53.507 52.037 -0.018 0.000 0.620 72 A CB -0.608 18.405 19.000 0.021 0.000 0.822 72 A HN 0.467 nan 8.150 nan 0.000 0.443 73 L N -0.605 120.658 121.223 0.067 0.000 2.083 73 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 73 L C 2.468 179.375 176.870 0.062 0.000 1.083 73 L CA 1.162 56.059 54.840 0.096 0.000 0.752 73 L CB -0.487 41.681 42.059 0.182 0.000 0.899 73 L HN 0.394 nan 8.230 nan 0.000 0.433 74 I N -0.729 119.864 120.570 0.038 0.000 2.252 74 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 74 I C 2.635 178.728 176.117 -0.041 0.000 1.102 74 I CA 1.101 62.401 61.300 -0.000 0.000 1.385 74 I CB -0.125 37.855 38.000 -0.033 0.000 1.064 74 I HN 0.278 nan 8.210 nan 0.000 0.414 75 Q N 0.994 120.746 119.800 -0.080 0.000 2.089 75 Q HA -0.020 4.320 4.340 -0.000 0.000 0.195 75 Q C 1.976 177.895 176.000 -0.134 0.000 0.963 75 Q CA 1.627 57.353 55.803 -0.129 0.000 0.834 75 Q CB 0.033 28.658 28.738 -0.188 0.000 0.906 75 Q HN 0.458 nan 8.270 nan 0.000 0.452 76 L N -1.327 119.802 121.223 -0.156 0.000 2.408 76 L HA 0.382 4.721 4.340 -0.000 0.000 0.215 76 L C 0.902 177.765 176.870 -0.011 0.000 1.081 76 L CA 0.127 54.851 54.840 -0.194 0.000 0.840 76 L CB -0.108 41.645 42.059 -0.509 0.000 1.002 76 L HN 0.365 nan 8.230 nan 0.000 0.468 77 G N 0.741 109.552 108.800 0.018 0.000 2.758 77 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 77 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 77 G C -2.189 172.789 174.900 0.129 0.000 1.389 77 G CA -0.328 44.819 45.100 0.078 0.000 0.845 77 G HN 0.029 nan 8.290 nan 0.000 0.572 78 P HA 0.050 nan 4.420 nan 0.000 0.226 78 P C 0.566 177.964 177.300 0.163 0.000 1.153 78 P CA 1.451 64.663 63.100 0.186 0.000 0.777 78 P CB 0.212 32.006 31.700 0.157 0.000 0.794 79 D N -1.248 119.228 120.400 0.128 0.000 2.369 79 D HA 0.058 4.698 4.640 -0.000 0.000 0.211 79 D C 0.512 176.866 176.300 0.090 0.000 1.077 79 D CA -0.386 53.669 54.000 0.091 0.000 0.842 79 D CB -0.384 40.447 40.800 0.052 0.000 0.947 79 D HN 0.156 nan 8.370 nan 0.000 0.509 80 F N 2.454 122.397 119.950 -0.012 0.000 2.602 80 F HA 0.087 4.614 4.527 -0.000 0.000 0.367 80 F C 0.315 176.078 175.800 -0.062 0.000 1.126 80 F CA 0.072 58.034 58.000 -0.062 0.000 1.321 80 F CB 0.466 39.400 39.000 -0.111 0.000 1.094 80 F HN -0.344 nan 8.300 nan 0.000 0.594 81 R N 5.295 125.191 120.500 -1.005 0.000 2.686 81 R HA 0.383 4.723 4.340 -0.000 0.000 0.283 81 R C -1.345 174.334 176.300 -1.036 0.000 0.978 81 R CA -0.953 54.741 56.100 -0.677 0.000 0.897 81 R CB 1.508 31.636 30.300 -0.287 0.000 1.192 81 R HN 0.505 nan 8.270 nan 0.000 0.457 82 F N 0.639 120.344 119.950 -0.408 0.000 2.450 82 F HA 0.210 4.737 4.527 -0.000 0.000 0.339 82 F C 0.852 176.544 175.800 -0.181 0.000 1.146 82 F CA 0.682 58.571 58.000 -0.184 0.000 1.267 82 F CB 1.148 40.172 39.000 0.040 0.000 1.178 82 F HN 0.277 nan 8.300 nan 0.000 0.585 83 T N 1.004 115.581 114.554 0.038 0.000 2.886 83 T HA 0.511 4.861 4.350 -0.000 0.000 0.292 83 T C -0.702 173.975 174.700 -0.038 0.000 1.012 83 T CA -0.832 61.248 62.100 -0.033 0.000 0.982 83 T CB 1.686 70.502 68.868 -0.087 0.000 1.018 83 T HN 0.468 nan 8.240 nan 0.000 0.451 84 T N 2.606 117.106 114.554 -0.090 0.000 2.876 84 T HA 0.805 5.155 4.350 -0.000 0.000 0.289 84 T C -0.216 174.366 174.700 -0.197 0.000 1.014 84 T CA -0.830 61.151 62.100 -0.198 0.000 0.986 84 T CB 1.725 70.444 68.868 -0.248 0.000 1.021 84 T HN 0.831 nan 8.240 nan 0.000 0.458 85 T N 0.320 114.734 114.554 -0.233 0.000 2.896 85 T HA 0.763 5.113 4.350 -0.000 0.000 0.297 85 T C -0.982 173.604 174.700 -0.190 0.000 1.108 85 T CA -0.990 61.008 62.100 -0.170 0.000 1.004 85 T CB 0.988 69.787 68.868 -0.114 0.000 1.159 85 T HN 0.396 nan 8.240 nan 0.000 0.499 86 L N 1.379 122.520 121.223 -0.136 0.000 2.307 86 L HA 0.628 4.968 4.340 -0.000 0.000 0.284 86 L C -0.070 176.753 176.870 -0.079 0.000 1.023 86 L CA -0.723 54.050 54.840 -0.112 0.000 0.810 86 L CB 1.576 43.577 42.059 -0.098 0.000 1.231 86 L HN 0.769 nan 8.230 nan 0.000 0.423 87 E N 1.310 121.470 120.200 -0.066 0.000 2.266 87 E HA 0.433 4.783 4.350 -0.000 0.000 0.268 87 E C -0.919 175.660 176.600 -0.036 0.000 0.879 87 E CA -0.725 55.647 56.400 -0.047 0.000 0.762 87 E CB 2.571 32.247 29.700 -0.041 0.000 1.199 87 E HN 0.573 nan 8.360 nan 0.000 0.422 88 T N -0.248 114.290 114.554 -0.027 0.000 2.824 88 T HA 0.493 4.843 4.350 -0.000 0.000 0.280 88 T C -0.333 174.359 174.700 -0.012 0.000 0.995 88 T CA -1.095 60.994 62.100 -0.019 0.000 1.009 88 T CB 1.069 69.928 68.868 -0.015 0.000 0.955 88 T HN 0.256 nan 8.240 nan 0.000 0.452 89 K N 2.274 122.670 120.400 -0.008 0.000 2.464 89 K HA 0.651 4.971 4.320 -0.000 0.000 0.252 89 K C 0.040 176.641 176.600 0.002 0.000 1.000 89 K CA -0.844 55.441 56.287 -0.002 0.000 0.951 89 K CB 1.397 33.897 32.500 -0.001 0.000 1.183 89 K HN 1.150 nan 8.250 nan 0.000 0.445 90 G N 1.961 110.762 108.800 0.002 0.000 2.339 90 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.381 90 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.381 90 G C -1.539 173.363 174.900 0.004 0.000 1.400 90 G CA -1.111 43.992 45.100 0.005 0.000 1.002 90 G HN 0.438 nan 8.290 nan 0.000 0.633 91 N N -0.878 117.825 118.700 0.006 0.000 2.524 91 N HA 0.452 5.192 4.740 -0.000 0.000 0.283 91 N C -0.191 175.323 175.510 0.007 0.000 1.142 91 N CA -0.215 52.838 53.050 0.005 0.000 0.984 91 N CB 2.105 40.595 38.487 0.005 0.000 1.155 91 N HN 0.368 nan 8.380 nan 0.000 0.467 92 V N 2.154 122.071 119.914 0.005 0.000 2.333 92 V HA 0.216 4.336 4.120 -0.000 0.000 0.274 92 V C -0.047 176.051 176.094 0.007 0.000 1.028 92 V CA -0.406 61.899 62.300 0.007 0.000 0.851 92 V CB 0.647 32.473 31.823 0.005 0.000 1.000 92 V HN 0.561 nan 8.190 nan 0.000 0.456 93 E N 3.801 124.006 120.200 0.009 0.000 2.185 93 E HA 0.391 4.741 4.350 -0.000 0.000 0.261 93 E C -0.086 176.518 176.600 0.008 0.000 0.879 93 E CA -0.617 55.788 56.400 0.007 0.000 0.756 93 E CB 0.905 30.609 29.700 0.008 0.000 1.152 93 E HN 0.745 nan 8.360 nan 0.000 0.416 94 N N 2.442 121.145 118.700 0.006 0.000 2.727 94 N HA -0.268 4.472 4.740 -0.000 0.000 0.249 94 N C 0.646 176.160 175.510 0.007 0.000 1.048 94 N CA 0.801 53.855 53.050 0.005 0.000 0.714 94 N CB -0.665 37.825 38.487 0.005 0.000 0.959 94 N HN 0.952 nan 8.380 nan 0.000 0.544 95 G N -2.698 106.107 108.800 0.008 0.000 2.179 95 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 95 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 95 G C 0.041 174.951 174.900 0.017 0.000 0.977 95 G CA 0.274 45.380 45.100 0.011 0.000 0.641 95 G HN 0.484 nan 8.290 nan 0.000 0.533 96 V N 2.021 121.945 119.914 0.017 0.000 2.347 96 V HA 0.510 4.630 4.120 -0.000 0.000 0.280 96 V C 0.890 176.998 176.094 0.023 0.000 1.021 96 V CA -0.803 61.511 62.300 0.024 0.000 0.847 96 V CB 1.790 33.627 31.823 0.022 0.000 0.990 96 V HN 0.346 nan 8.190 nan 0.000 0.444 97 L N 6.239 127.479 121.223 0.029 0.000 2.369 97 L HA 0.309 4.649 4.340 -0.000 0.000 0.279 97 L C 0.262 177.148 176.870 0.027 0.000 1.108 97 L CA -0.362 54.492 54.840 0.024 0.000 0.852 97 L CB 0.616 42.688 42.059 0.023 0.000 1.169 97 L HN 0.592 nan 8.230 nan 0.000 0.452 98 K N 5.387 125.799 120.400 0.021 0.000 2.180 98 K HA 0.489 4.809 4.320 -0.000 0.000 0.250 98 K C 0.189 176.801 176.600 0.020 0.000 1.135 98 K CA -0.053 56.246 56.287 0.021 0.000 1.037 98 K CB 0.648 33.158 32.500 0.016 0.000 1.624 98 K HN 0.892 nan 8.250 nan 0.000 0.382 99 G N 1.369 110.185 108.800 0.025 0.000 2.339 99 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.275 99 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.275 99 G C -1.855 173.059 174.900 0.022 0.000 1.323 99 G CA -0.871 44.242 45.100 0.021 0.000 0.927 99 G HN 0.273 nan 8.290 nan 0.000 0.486 100 D N -0.006 120.401 120.400 0.013 0.000 2.193 100 D HA 0.558 5.198 4.640 -0.000 0.000 0.249 100 D C -0.276 176.016 176.300 -0.012 0.000 1.034 100 D CA -0.282 53.721 54.000 0.004 0.000 0.902 100 D CB 2.303 43.105 40.800 0.002 0.000 1.182 100 D HN 0.418 nan 8.370 nan 0.000 0.436 101 L N 1.983 123.187 121.223 -0.033 0.000 2.276 101 L HA 0.323 4.663 4.340 -0.000 0.000 0.286 101 L C -1.055 175.782 176.870 -0.055 0.000 1.061 101 L CA -0.382 54.426 54.840 -0.053 0.000 0.807 101 L CB 1.308 43.314 42.059 -0.088 0.000 1.177 101 L HN 0.077 nan 8.230 nan 0.000 0.429 102 V N 5.346 125.233 119.914 -0.046 0.000 2.384 102 V HA 0.706 4.826 4.120 -0.000 0.000 0.287 102 V C 0.215 176.277 176.094 -0.055 0.000 1.020 102 V CA -0.499 61.780 62.300 -0.035 0.000 0.850 102 V CB 1.232 33.042 31.823 -0.023 0.000 0.987 102 V HN 0.953 nan 8.190 nan 0.000 0.436 103 A N 5.546 128.345 122.820 -0.035 0.000 2.280 103 A HA 0.592 4.912 4.320 -0.000 0.000 0.320 103 A C 0.155 177.686 177.584 -0.088 0.000 1.366 103 A CA -0.518 51.459 52.037 -0.100 0.000 0.938 103 A CB 0.122 19.111 19.000 -0.018 0.000 1.157 103 A HN 0.810 nan 8.150 nan 0.000 0.536 104 R N 3.390 123.777 120.500 -0.188 0.000 2.204 104 R HA 0.445 4.785 4.340 -0.000 0.000 0.341 104 R C -1.416 174.751 176.300 -0.222 0.000 1.035 104 R CA -0.288 55.750 56.100 -0.103 0.000 0.887 104 R CB 0.115 30.367 30.300 -0.079 0.000 1.114 104 R HN 0.559 nan 8.270 nan 0.000 0.473 105 F N 1.198 121.115 119.950 -0.054 0.000 2.382 105 F HA 0.348 4.875 4.527 -0.000 0.000 0.331 105 F C 1.596 177.329 175.800 -0.112 0.000 1.121 105 F CA 0.274 58.236 58.000 -0.064 0.000 1.183 105 F CB 1.827 40.796 39.000 -0.052 0.000 1.207 105 F HN 0.671 nan 8.300 nan 0.000 0.555 106 G N 0.647 109.484 108.800 0.062 0.000 4.299 106 G HA2 0.426 4.385 3.960 -0.000 0.000 0.290 106 G HA3 0.426 4.385 3.960 -0.000 0.000 0.290 106 G C 0.400 175.324 174.900 0.040 0.000 1.019 106 G CA 0.029 45.121 45.100 -0.013 0.000 0.790 106 G HN 1.149 nan 8.290 nan 0.000 0.452 107 A N 0.456 123.250 122.820 -0.044 0.000 2.887 107 A HA -0.202 4.118 4.320 -0.000 0.000 0.257 107 A C 0.498 178.013 177.584 -0.116 0.000 1.372 107 A CA 0.845 52.857 52.037 -0.042 0.000 0.879 107 A CB -1.995 16.925 19.000 -0.133 0.000 1.082 107 A HN 0.574 nan 8.150 nan 0.000 0.703 108 D N 0.102 120.459 120.400 -0.073 0.000 2.363 108 D HA 0.295 4.935 4.640 -0.000 0.000 0.263 108 D C -0.402 175.735 176.300 -0.272 0.000 1.258 108 D CA -1.014 52.798 54.000 -0.313 0.000 0.907 108 D CB 0.814 41.612 40.800 -0.004 0.000 1.107 108 D HN 0.327 nan 8.370 nan 0.000 0.495 109 P HA -0.055 nan 4.420 nan 0.000 0.237 109 P C 0.738 177.995 177.300 -0.071 0.000 1.178 109 P CA 0.727 63.719 63.100 -0.179 0.000 0.766 109 P CB 0.087 31.675 31.700 -0.188 0.000 0.876 110 T N -4.092 110.420 114.554 -0.071 0.000 3.054 110 T HA 0.198 4.548 4.350 -0.000 0.000 0.255 110 T C 0.557 175.274 174.700 0.029 0.000 1.035 110 T CA -0.481 61.617 62.100 -0.003 0.000 0.941 110 T CB -0.622 68.251 68.868 0.009 0.000 1.026 110 T HN -0.127 nan 8.240 nan 0.000 0.533 111 L N 2.421 123.668 121.223 0.040 0.000 2.485 111 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 111 L C -0.088 176.838 176.870 0.094 0.000 1.207 111 L CA 0.593 55.476 54.840 0.073 0.000 0.855 111 L CB 0.335 42.462 42.059 0.113 0.000 1.114 111 L HN 0.152 nan 8.230 nan 0.000 0.485 112 K N 3.972 124.421 120.400 0.082 0.000 2.350 112 K HA 0.421 4.741 4.320 -0.000 0.000 0.241 112 K C 0.768 177.416 176.600 0.080 0.000 0.994 112 K CA -0.948 55.389 56.287 0.083 0.000 0.839 112 K CB 1.672 34.204 32.500 0.053 0.000 1.244 112 K HN 0.442 nan 8.250 nan 0.000 0.443 113 R N 0.729 121.271 120.500 0.071 0.000 2.103 113 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 113 R C 1.981 178.294 176.300 0.022 0.000 1.142 113 R CA 1.662 57.788 56.100 0.042 0.000 0.960 113 R CB -0.014 30.269 30.300 -0.028 0.000 0.858 113 R HN 0.488 nan 8.270 nan 0.000 0.439 114 Q N 0.339 120.142 119.800 0.004 0.000 2.170 114 Q HA -0.169 4.171 4.340 -0.000 0.000 0.203 114 Q C 1.457 177.461 176.000 0.005 0.000 0.976 114 Q CA 1.289 57.091 55.803 -0.002 0.000 0.858 114 Q CB -0.090 28.642 28.738 -0.009 0.000 0.907 114 Q HN 0.425 nan 8.270 nan 0.000 0.433 115 D N 0.454 120.863 120.400 0.015 0.000 2.117 115 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 115 D C 2.047 178.346 176.300 -0.001 0.000 0.982 115 D CA 0.713 54.717 54.000 0.006 0.000 0.828 115 D CB -0.181 40.627 40.800 0.013 0.000 0.967 115 D HN 0.272 nan 8.370 nan 0.000 0.464 116 I N 0.764 121.347 120.570 0.021 0.000 2.179 116 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 116 I C 2.702 178.823 176.117 0.007 0.000 1.088 116 I CA 0.903 62.215 61.300 0.020 0.000 1.357 116 I CB -0.257 37.785 38.000 0.071 0.000 1.051 116 I HN -0.070 nan 8.210 nan 0.000 0.409 117 R N 1.205 121.714 120.500 0.015 0.000 2.083 117 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 117 R C 2.139 178.434 176.300 -0.010 0.000 1.137 117 R CA 2.005 58.108 56.100 0.006 0.000 0.951 117 R CB -0.161 30.144 30.300 0.009 0.000 0.851 117 R HN 0.371 nan 8.270 nan 0.000 0.434 118 N N 0.305 118.998 118.700 -0.011 0.000 2.120 118 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 118 N C 1.773 177.268 175.510 -0.025 0.000 1.024 118 N CA 1.604 54.643 53.050 -0.017 0.000 0.852 118 N CB -0.199 38.279 38.487 -0.016 0.000 1.003 118 N HN 0.320 nan 8.380 nan 0.000 0.424 119 M N 0.007 119.587 119.600 -0.033 0.000 2.175 119 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 119 M C 1.941 178.216 176.300 -0.043 0.000 1.063 119 M CA 0.845 56.118 55.300 -0.046 0.000 1.119 119 M CB -0.025 32.534 32.600 -0.069 0.000 1.377 119 M HN -0.088 nan 8.290 nan 0.000 0.415 120 V N 0.306 120.198 119.914 -0.036 0.000 2.358 120 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 120 V C 2.619 178.697 176.094 -0.027 0.000 1.047 120 V CA 1.961 64.241 62.300 -0.034 0.000 1.035 120 V CB -1.135 30.669 31.823 -0.031 0.000 0.658 120 V HN 0.513 nan 8.190 nan 0.000 0.452 121 A N -0.315 122.491 122.820 -0.024 0.000 1.908 121 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 121 A C 2.394 179.966 177.584 -0.019 0.000 1.181 121 A CA 2.682 54.707 52.037 -0.020 0.000 0.627 121 A CB -0.989 18.000 19.000 -0.018 0.000 0.818 121 A HN 0.508 nan 8.150 nan 0.000 0.445 122 T N -0.116 114.424 114.554 -0.023 0.000 2.777 122 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 122 T C 1.839 176.525 174.700 -0.023 0.000 1.040 122 T CA 1.412 63.498 62.100 -0.023 0.000 1.141 122 T CB -0.355 68.496 68.868 -0.028 0.000 0.868 122 T HN 0.368 nan 8.240 nan 0.000 0.444 123 L N 1.572 122.779 121.223 -0.026 0.000 2.012 123 L HA -0.030 4.310 4.340 -0.000 0.000 0.210 123 L C 2.266 179.127 176.870 -0.014 0.000 1.073 123 L CA 1.942 56.768 54.840 -0.024 0.000 0.748 123 L CB -0.616 41.425 42.059 -0.030 0.000 0.891 123 L HN 0.009 nan 8.230 nan 0.000 0.431 124 K N 0.303 120.696 120.400 -0.012 0.000 2.009 124 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 124 K C 2.309 178.905 176.600 -0.007 0.000 1.049 124 K CA 2.078 58.361 56.287 -0.006 0.000 0.929 124 K CB -0.442 32.054 32.500 -0.007 0.000 0.714 124 K HN 0.346 nan 8.250 nan 0.000 0.440 125 K N 0.164 120.558 120.400 -0.010 0.000 2.209 125 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 125 K C 1.758 178.353 176.600 -0.009 0.000 1.048 125 K CA 1.436 57.718 56.287 -0.009 0.000 0.940 125 K CB -0.190 32.303 32.500 -0.011 0.000 0.729 125 K HN 0.363 nan 8.250 nan 0.000 0.451 126 S N -1.043 114.650 115.700 -0.010 0.000 2.507 126 S HA 0.002 4.472 4.470 -0.000 0.000 0.235 126 S C 1.227 175.824 174.600 -0.006 0.000 0.988 126 S CA 0.991 59.185 58.200 -0.010 0.000 0.944 126 S CB 0.033 63.225 63.200 -0.013 0.000 0.762 126 S HN 0.508 nan 8.310 nan 0.000 0.526 127 G N -0.495 108.303 108.800 -0.004 0.000 2.175 127 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.182 127 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.182 127 G C -0.134 174.768 174.900 0.003 0.000 1.003 127 G CA -0.173 44.927 45.100 -0.001 0.000 0.666 127 G HN 0.655 nan 8.290 nan 0.000 0.506 128 V N 2.022 121.939 119.914 0.004 0.000 2.364 128 V HA 0.388 4.508 4.120 -0.000 0.000 0.272 128 V C 0.694 176.799 176.094 0.019 0.000 1.036 128 V CA -0.377 61.930 62.300 0.011 0.000 0.880 128 V CB 1.398 33.227 31.823 0.008 0.000 0.991 128 V HN 0.300 nan 8.190 nan 0.000 0.460 129 N N 3.409 122.124 118.700 0.025 0.000 2.294 129 N HA 0.103 4.843 4.740 -0.000 0.000 0.186 129 N C 0.267 175.808 175.510 0.051 0.000 1.107 129 N CA 0.176 53.244 53.050 0.031 0.000 0.884 129 N CB 1.128 39.627 38.487 0.019 0.000 1.030 129 N HN 0.762 nan 8.380 nan 0.000 0.482 130 Q N 0.391 120.226 119.800 0.059 0.000 2.352 130 Q HA 0.424 4.764 4.340 -0.000 0.000 0.270 130 Q C -1.904 174.151 176.000 0.092 0.000 1.006 130 Q CA -0.419 55.433 55.803 0.081 0.000 0.880 130 Q CB 1.819 30.588 28.738 0.050 0.000 1.392 130 Q HN -0.004 nan 8.270 nan 0.000 0.401 131 I N 2.890 123.547 120.570 0.144 0.000 2.355 131 I HA 0.216 4.386 4.170 -0.000 0.000 0.288 131 I C -0.713 175.484 176.117 0.134 0.000 0.999 131 I CA -0.524 60.855 61.300 0.131 0.000 1.163 131 I CB 1.585 39.671 38.000 0.144 0.000 1.316 131 I HN 0.561 nan 8.210 nan 0.000 0.454 132 D N 6.015 126.466 120.400 0.085 0.000 2.563 132 D HA 0.560 5.200 4.640 -0.000 0.000 0.222 132 D C 0.165 176.508 176.300 0.070 0.000 1.145 132 D CA 0.319 54.361 54.000 0.071 0.000 1.001 132 D CB 0.185 41.013 40.800 0.046 0.000 1.049 132 D HN 0.757 nan 8.370 nan 0.000 0.515 133 G N 1.658 110.517 108.800 0.098 0.000 2.344 133 G HA2 0.057 4.017 3.960 -0.000 0.000 0.282 133 G HA3 0.057 4.017 3.960 -0.000 0.000 0.282 133 G C -1.114 173.855 174.900 0.114 0.000 1.281 133 G CA -1.059 44.091 45.100 0.084 0.000 0.877 133 G HN 0.383 nan 8.290 nan 0.000 0.494 134 N N -1.669 117.073 118.700 0.070 0.000 2.476 134 N HA 0.610 5.350 4.740 -0.000 0.000 0.276 134 N C -0.835 174.655 175.510 -0.033 0.000 1.204 134 N CA -0.640 52.442 53.050 0.053 0.000 0.974 134 N CB 2.507 41.019 38.487 0.042 0.000 1.204 134 N HN 0.315 nan 8.380 nan 0.000 0.543 135 V N 1.999 121.845 119.914 -0.114 0.000 2.357 135 V HA 0.331 4.450 4.120 -0.000 0.000 0.284 135 V C -0.494 175.542 176.094 -0.096 0.000 1.018 135 V CA -0.596 61.588 62.300 -0.194 0.000 0.841 135 V CB 0.628 32.177 31.823 -0.456 0.000 0.991 135 V HN 0.419 nan 8.190 nan 0.000 0.437 136 L N 5.723 126.915 121.223 -0.051 0.000 2.296 136 L HA 0.565 4.905 4.340 -0.000 0.000 0.286 136 L C -0.589 176.299 176.870 0.030 0.000 1.023 136 L CA -0.679 54.158 54.840 -0.005 0.000 0.812 136 L CB 1.721 43.782 42.059 0.004 0.000 1.223 136 L HN 0.395 nan 8.230 nan 0.000 0.421 137 I N 2.792 123.395 120.570 0.054 0.000 2.287 137 I HA 0.155 4.325 4.170 -0.000 0.000 0.290 137 I C -0.001 176.189 176.117 0.120 0.000 1.069 137 I CA -0.048 61.326 61.300 0.124 0.000 1.237 137 I CB 0.712 38.746 38.000 0.057 0.000 1.418 137 I HN 0.555 nan 8.210 nan 0.000 0.481 138 D N 5.428 125.931 120.400 0.172 0.000 2.313 138 D HA 0.186 4.826 4.640 -0.000 0.000 0.239 138 D C 0.713 177.094 176.300 0.135 0.000 1.142 138 D CA -0.055 54.012 54.000 0.112 0.000 0.847 138 D CB 1.330 42.170 40.800 0.067 0.000 1.082 138 D HN 0.591 nan 8.370 nan 0.000 0.480 139 T N -0.460 114.136 114.554 0.070 0.000 3.228 139 T HA 0.040 4.390 4.350 -0.000 0.000 0.278 139 T C 1.446 176.153 174.700 0.012 0.000 1.014 139 T CA -0.003 62.118 62.100 0.035 0.000 0.904 139 T CB -0.230 68.653 68.868 0.025 0.000 1.110 139 T HN 0.207 nan 8.240 nan 0.000 0.541 140 S N 1.014 116.723 115.700 0.015 0.000 2.507 140 S HA -0.013 4.457 4.470 -0.000 0.000 0.235 140 S C 1.768 176.367 174.600 -0.002 0.000 0.988 140 S CA 0.257 58.470 58.200 0.021 0.000 0.944 140 S CB -0.799 62.418 63.200 0.028 0.000 0.762 140 S HN 0.580 nan 8.310 nan 0.000 0.526 141 I N -0.226 120.284 120.570 -0.099 0.000 2.335 141 I HA 0.049 4.219 4.170 -0.000 0.000 0.251 141 I C 0.310 176.390 176.117 -0.061 0.000 1.129 141 I CA 1.135 62.275 61.300 -0.267 0.000 1.402 141 I CB 0.070 37.794 38.000 -0.461 0.000 1.069 141 I HN 0.298 nan 8.210 nan 0.000 0.424 142 F N -0.447 119.436 119.950 -0.110 0.000 2.598 142 F HA 0.675 5.202 4.527 -0.000 0.000 0.327 142 F C 0.217 175.985 175.800 -0.054 0.000 1.057 142 F CA -1.040 56.904 58.000 -0.093 0.000 0.957 142 F CB 1.537 40.484 39.000 -0.088 0.000 1.278 142 F HN -0.183 nan 8.300 nan 0.000 0.484 143 A N 0.959 123.852 122.820 0.121 0.000 2.583 143 A HA 0.692 5.012 4.320 -0.000 0.000 0.289 143 A C -0.255 177.320 177.584 -0.016 0.000 1.151 143 A CA -0.061 52.004 52.037 0.047 0.000 0.695 143 A CB 1.343 20.363 19.000 0.033 0.000 1.290 143 A HN 1.003 nan 8.150 nan 0.000 0.419 144 S N -0.982 114.691 115.700 -0.046 0.000 3.633 144 S HA -0.151 4.319 4.470 -0.000 0.000 0.637 144 S C -0.048 174.515 174.600 -0.063 0.000 2.289 144 S CA 0.434 58.554 58.200 -0.134 0.000 2.476 144 S CB -1.398 61.746 63.200 -0.093 0.000 0.330 144 S HN 1.343 nan 8.310 nan 0.000 1.787 145 H N 1.463 120.608 119.070 0.126 0.000 2.790 145 H HA 0.150 4.706 4.556 -0.000 0.000 0.358 145 H C 0.685 176.178 175.328 0.276 0.000 1.103 145 H CA 0.398 56.537 56.048 0.153 0.000 1.426 145 H CB 0.174 29.996 29.762 0.101 0.000 1.424 145 H HN 0.532 nan 8.280 nan 0.000 0.599 146 D N 1.796 122.420 120.400 0.373 0.000 2.325 146 D HA 0.043 4.683 4.640 -0.000 0.000 0.225 146 D C -0.052 176.506 176.300 0.430 0.000 1.096 146 D CA 0.518 54.755 54.000 0.393 0.000 0.844 146 D CB 0.550 41.522 40.800 0.287 0.000 0.925 146 D HN 0.375 nan 8.370 nan 0.000 0.513 147 K N 0.502 121.005 120.400 0.173 0.000 2.426 147 K HA 0.604 4.924 4.320 -0.000 0.000 0.254 147 K C -0.521 175.261 176.600 -1.363 0.000 0.936 147 K CA -0.643 55.309 56.287 -0.559 0.000 0.801 147 K CB 2.775 35.132 32.500 -0.238 0.000 1.139 147 K HN -0.145 nan 8.250 nan 0.000 0.424 148 A N 3.830 124.868 122.820 -2.970 0.000 2.386 148 A HA 0.376 4.696 4.320 -0.000 0.000 0.248 148 A C -2.164 174.481 177.584 -1.565 0.000 1.082 148 A CA -1.182 49.184 52.037 -2.786 0.000 0.789 148 A CB -0.400 16.945 19.000 -2.758 0.000 1.025 148 A HN 0.438 nan 8.150 nan 0.000 0.490 149 P HA 0.236 nan 4.420 nan 0.000 0.268 149 P C 0.799 177.644 177.300 -0.759 0.000 1.205 149 P CA 1.464 64.228 63.100 -0.560 0.000 0.771 149 P CB 0.750 32.331 31.700 -0.199 0.000 0.858 150 G N 0.787 109.129 108.800 -0.764 0.000 2.176 150 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.253 150 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.253 150 G C -0.467 174.314 174.900 -0.199 0.000 0.979 150 G CA -0.570 44.012 45.100 -0.864 0.000 0.641 150 G HN 0.347 nan 8.290 nan 0.000 0.530 151 W N 2.390 123.474 121.300 -0.361 0.000 2.266 151 W HA 0.523 5.183 4.660 -0.000 0.000 0.317 151 W C -1.477 174.945 176.519 -0.161 0.000 1.310 151 W CA -2.587 54.610 57.345 -0.247 0.000 1.207 151 W CB -0.071 29.238 29.460 -0.252 0.000 1.199 151 W HN 0.055 nan 8.180 nan 0.000 0.544 152 P HA -0.117 nan 4.420 nan 0.000 0.267 152 P C 1.202 178.482 177.300 -0.033 0.000 1.205 152 P CA -0.010 63.093 63.100 0.005 0.000 0.765 152 P CB 0.543 32.196 31.700 -0.078 0.000 0.828 153 W N 6.085 127.385 121.300 0.001 0.000 2.374 153 W HA -0.226 4.434 4.660 0.000 0.000 0.288 153 W C 0.724 177.234 176.519 -0.015 0.000 1.218 153 W CA 1.473 58.813 57.345 -0.008 0.000 1.245 153 W CB -1.802 27.645 29.460 -0.021 0.000 1.126 153 W HN 0.403 nan 8.180 nan 0.000 0.545 154 N N 0.369 118.074 118.700 -1.657 0.000 2.459 154 N HA -0.171 4.569 4.740 -0.000 0.000 0.181 154 N C 0.881 175.924 175.510 -0.778 0.000 1.046 154 N CA 1.595 53.552 53.050 -1.822 0.000 0.904 154 N CB -0.602 37.077 38.487 -1.346 0.000 0.964 154 N HN -0.089 nan 8.380 nan 0.000 0.444 155 D N -0.379 119.716 120.400 -0.508 0.000 2.339 155 D HA 0.037 4.677 4.640 -0.000 0.000 0.217 155 D C 1.193 177.238 176.300 -0.425 0.000 1.050 155 D CA 0.114 53.867 54.000 -0.412 0.000 0.856 155 D CB 0.053 40.656 40.800 -0.329 0.000 0.922 155 D HN 0.248 nan 8.370 nan 0.000 0.518 156 M N 0.475 119.915 119.600 -0.266 0.000 2.374 156 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 156 M C 1.728 177.968 176.300 -0.100 0.000 1.067 156 M CA 1.161 56.385 55.300 -0.127 0.000 1.103 156 M CB -0.305 32.316 32.600 0.035 0.000 1.402 156 M HN -0.023 nan 8.290 nan 0.000 0.444 157 T N -2.797 111.702 114.554 -0.093 0.000 3.107 157 T HA 0.139 4.489 4.350 -0.000 0.000 0.249 157 T C 0.688 175.365 174.700 -0.038 0.000 1.096 157 T CA -0.149 61.963 62.100 0.020 0.000 1.012 157 T CB -0.179 68.739 68.868 0.084 0.000 0.977 157 T HN 0.344 nan 8.240 nan 0.000 0.527 158 Q N -0.135 119.510 119.800 -0.259 0.000 2.259 158 Q HA 0.295 4.635 4.340 -0.000 0.000 0.246 158 Q C 0.671 176.412 176.000 -0.432 0.000 0.920 158 Q CA -0.650 54.928 55.803 -0.375 0.000 0.895 158 Q CB 1.266 29.625 28.738 -0.631 0.000 1.220 158 Q HN 0.271 nan 8.270 nan 0.000 0.439 159 c N 1.355 119.783 118.600 -0.287 0.000 2.422 159 c HA -0.153 4.417 4.570 -0.000 0.000 0.279 159 c C 2.240 176.232 174.090 -0.164 0.000 1.305 159 c CA 0.493 56.702 56.329 -0.200 0.000 1.757 159 c CB -1.188 41.234 42.510 -0.147 0.000 1.962 159 c HN 0.936 nan 8.230 nan 0.000 0.499 160 F N 0.523 120.391 119.950 -0.136 0.000 2.451 160 F HA 0.033 4.560 4.527 -0.000 0.000 0.299 160 F C 1.865 177.541 175.800 -0.206 0.000 1.101 160 F CA 1.276 59.185 58.000 -0.152 0.000 1.436 160 F CB -0.701 38.204 39.000 -0.159 0.000 1.074 160 F HN 0.106 nan 8.300 nan 0.000 0.553 161 S N 0.196 115.485 115.700 -0.686 0.000 2.664 161 S HA 0.614 5.084 4.470 -0.000 0.000 0.245 161 S C 0.544 174.955 174.600 -0.316 0.000 1.019 161 S CA -0.243 57.598 58.200 -0.598 0.000 0.996 161 S CB -1.022 61.687 63.200 -0.817 0.000 0.878 161 S HN 0.524 nan 8.310 nan 0.000 0.493 162 A N 2.946 125.654 122.820 -0.186 0.000 2.520 162 A HA 0.428 4.748 4.320 -0.000 0.000 0.245 162 A C -2.495 175.147 177.584 0.096 0.000 1.072 162 A CA -0.809 51.203 52.037 -0.042 0.000 0.761 162 A CB -0.380 18.602 19.000 -0.030 0.000 1.004 162 A HN 0.367 nan 8.150 nan 0.000 0.499 163 P HA 0.076 nan 4.420 nan 0.000 0.258 163 P C -2.334 175.147 177.300 0.300 0.000 1.187 163 P CA -0.414 62.883 63.100 0.329 0.000 0.767 163 P CB 0.113 31.965 31.700 0.252 0.000 0.770 164 P HA 0.146 nan 4.420 nan 0.000 0.238 164 P C -0.316 177.188 177.300 0.340 0.000 1.794 164 P CA 0.042 63.344 63.100 0.337 0.000 1.088 164 P CB 0.050 31.997 31.700 0.411 0.000 1.923 165 A N 2.762 125.743 122.820 0.268 0.000 2.259 165 A HA 0.550 4.870 4.320 -0.000 0.000 0.278 165 A C 1.738 179.466 177.584 0.240 0.000 1.107 165 A CA 0.112 52.308 52.037 0.265 0.000 0.828 165 A CB 0.092 19.186 19.000 0.157 0.000 1.111 165 A HN 0.343 nan 8.150 nan 0.000 0.498 166 A N -0.267 122.652 122.820 0.165 0.000 1.969 166 A HA 0.353 4.673 4.320 -0.000 0.000 0.218 166 A C 1.388 178.964 177.584 -0.014 0.000 1.169 166 A CA 1.601 53.573 52.037 -0.108 0.000 0.635 166 A CB -0.701 18.168 19.000 -0.219 0.000 0.810 166 A HN 1.828 nan 8.150 nan 0.000 0.445 167 A N 0.261 123.031 122.820 -0.083 0.000 2.366 167 A HA 0.624 4.944 4.320 -0.000 0.000 0.322 167 A C -0.371 177.148 177.584 -0.107 0.000 1.397 167 A CA -0.271 51.573 52.037 -0.322 0.000 0.984 167 A CB -0.352 18.218 19.000 -0.716 0.000 1.149 167 A HN 0.333 nan 8.150 nan 0.000 0.540 168 I N 2.662 123.255 120.570 0.039 0.000 2.465 168 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 168 I C -0.895 175.327 176.117 0.175 0.000 1.014 168 I CA -0.879 60.481 61.300 0.100 0.000 1.093 168 I CB 2.345 40.398 38.000 0.087 0.000 1.267 168 I HN 0.254 nan 8.210 nan 0.000 0.431 169 V N 4.402 124.453 119.914 0.229 0.000 2.525 169 V HA 0.283 4.403 4.120 -0.000 0.000 0.299 169 V C -0.533 175.736 176.094 0.292 0.000 1.034 169 V CA -0.728 61.734 62.300 0.270 0.000 0.863 169 V CB 1.561 33.563 31.823 0.297 0.000 0.999 169 V HN 0.846 nan 8.190 nan 0.000 0.423 170 D N 4.459 124.986 120.400 0.212 0.000 2.697 170 D HA -0.205 4.435 4.640 -0.000 0.000 0.238 170 D C 1.059 177.462 176.300 0.172 0.000 1.152 170 D CA 1.024 55.143 54.000 0.199 0.000 0.666 170 D CB -0.453 40.504 40.800 0.263 0.000 1.037 170 D HN 0.901 nan 8.370 nan 0.000 0.423 171 R N -1.318 119.255 120.500 0.122 0.000 4.000 171 R HA -0.272 4.068 4.340 -0.000 0.000 0.362 171 R C 0.139 176.474 176.300 0.058 0.000 1.183 171 R CA 0.880 57.027 56.100 0.077 0.000 1.011 171 R CB -1.692 28.642 30.300 0.056 0.000 1.501 171 R HN 0.323 nan 8.270 nan 0.000 0.553 172 N N -1.476 117.269 118.700 0.075 0.000 2.727 172 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 172 N C -0.726 174.746 175.510 -0.063 0.000 1.048 172 N CA 1.542 54.561 53.050 -0.052 0.000 0.714 172 N CB -1.212 37.248 38.487 -0.046 0.000 0.959 172 N HN 0.510 nan 8.380 nan 0.000 0.544 173 c N 1.107 119.710 118.600 0.006 0.000 2.547 173 c HA 0.860 5.430 4.570 -0.000 0.000 0.313 173 c C -0.747 173.346 174.090 0.004 0.000 1.191 173 c CA -0.921 55.377 56.329 -0.052 0.000 1.474 173 c CB 0.204 42.676 42.510 -0.063 0.000 2.081 173 c HN 0.327 nan 8.230 nan 0.000 0.476 174 F N 3.603 123.350 119.950 -0.339 0.000 2.599 174 F HA 0.837 5.364 4.527 -0.000 0.000 0.311 174 F C -0.343 175.155 175.800 -0.503 0.000 1.076 174 F CA -0.493 57.114 58.000 -0.654 0.000 0.937 174 F CB 1.124 39.347 39.000 -1.295 0.000 1.282 174 F HN 0.594 nan 8.300 nan 0.000 0.460 175 S N 1.471 116.976 115.700 -0.326 0.000 2.621 175 S HA 0.926 5.396 4.470 -0.000 0.000 0.302 175 S C -1.280 173.271 174.600 -0.081 0.000 1.093 175 S CA -0.684 57.355 58.200 -0.268 0.000 1.017 175 S CB 1.901 65.041 63.200 -0.100 0.000 1.077 175 S HN 0.865 nan 8.310 nan 0.000 0.517 176 V N 0.686 120.511 119.914 -0.149 0.000 3.114 176 V HA 0.668 4.788 4.120 -0.000 0.000 0.308 176 V C -0.826 175.232 176.094 -0.059 0.000 1.168 176 V CA -0.649 61.632 62.300 -0.031 0.000 1.015 176 V CB 2.717 34.549 31.823 0.015 0.000 1.050 176 V HN 1.041 nan 8.190 nan 0.000 0.433 177 S N 2.999 118.704 115.700 0.008 0.000 2.519 177 S HA 0.665 5.135 4.470 -0.000 0.000 0.309 177 S C -1.041 173.554 174.600 -0.010 0.000 1.100 177 S CA -0.342 57.834 58.200 -0.041 0.000 1.059 177 S CB 1.416 64.626 63.200 0.017 0.000 1.008 177 S HN 0.525 nan 8.310 nan 0.000 0.478 178 L N 4.568 125.731 121.223 -0.100 0.000 2.280 178 L HA 0.540 4.880 4.340 -0.000 0.000 0.287 178 L C -1.756 175.075 176.870 -0.064 0.000 1.023 178 L CA -0.333 54.505 54.840 -0.003 0.000 0.819 178 L CB 0.110 42.175 42.059 0.010 0.000 1.212 178 L HN 0.582 nan 8.230 nan 0.000 0.420 179 Y N 2.854 123.228 120.300 0.123 0.000 2.328 179 Y HA 0.439 4.989 4.550 -0.000 0.000 0.337 179 Y C 0.887 176.864 175.900 0.128 0.000 1.008 179 Y CA -0.493 57.693 58.100 0.144 0.000 1.129 179 Y CB 1.394 39.992 38.460 0.229 0.000 1.185 179 Y HN 0.703 nan 8.280 nan 0.000 0.476 180 S N 1.800 117.619 115.700 0.198 0.000 2.568 180 S HA 0.512 4.982 4.470 -0.000 0.000 0.282 180 S C 0.273 174.972 174.600 0.166 0.000 1.338 180 S CA -0.864 57.426 58.200 0.150 0.000 1.045 180 S CB 0.816 64.071 63.200 0.091 0.000 0.873 180 S HN 0.813 nan 8.310 nan 0.000 0.516 181 A N 3.176 126.073 122.820 0.129 0.000 2.425 181 A HA 0.495 4.815 4.320 -0.000 0.000 0.249 181 A C -1.124 176.502 177.584 0.070 0.000 1.084 181 A CA -1.610 50.486 52.037 0.100 0.000 0.781 181 A CB -0.476 18.576 19.000 0.086 0.000 1.019 181 A HN 0.674 nan 8.150 nan 0.000 0.490 182 P HA -0.156 nan 4.420 nan 0.000 0.216 182 P C 0.383 177.702 177.300 0.032 0.000 1.157 182 P CA 1.288 64.409 63.100 0.035 0.000 0.880 182 P CB 0.154 31.864 31.700 0.016 0.000 0.791 183 K N 0.109 120.528 120.400 0.030 0.000 2.201 183 K HA 0.245 4.565 4.320 -0.000 0.000 0.278 183 K C -2.542 174.079 176.600 0.035 0.000 1.027 183 K CA -2.441 53.863 56.287 0.028 0.000 0.909 183 K CB 0.525 33.039 32.500 0.023 0.000 1.062 183 K HN -0.133 nan 8.250 nan 0.000 0.465 184 P HA 0.070 nan 4.420 nan 0.000 0.271 184 P C 0.283 177.603 177.300 0.033 0.000 1.216 184 P CA 0.472 63.592 63.100 0.033 0.000 0.771 184 P CB 0.863 32.580 31.700 0.027 0.000 0.864 185 G N 1.653 110.475 108.800 0.038 0.000 2.258 185 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.233 185 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.233 185 G C 0.009 174.935 174.900 0.043 0.000 1.006 185 G CA -0.270 44.852 45.100 0.037 0.000 0.620 185 G HN 0.507 nan 8.290 nan 0.000 0.511 186 D N 1.418 121.847 120.400 0.048 0.000 2.313 186 D HA 0.516 5.156 4.640 -0.000 0.000 0.247 186 D C 1.291 177.635 176.300 0.074 0.000 1.094 186 D CA -0.304 53.730 54.000 0.057 0.000 0.925 186 D CB 0.445 41.277 40.800 0.053 0.000 1.188 186 D HN 0.029 nan 8.370 nan 0.000 0.430 187 M N 1.203 120.855 119.600 0.086 0.000 2.248 187 M HA 0.141 4.621 4.480 -0.000 0.000 0.345 187 M C 0.432 176.815 176.300 0.138 0.000 1.243 187 M CA -0.433 54.930 55.300 0.106 0.000 1.090 187 M CB -0.221 32.448 32.600 0.114 0.000 1.683 187 M HN 0.347 nan 8.290 nan 0.000 0.450 188 A N 3.997 126.900 122.820 0.139 0.000 2.466 188 A HA 0.329 4.649 4.320 -0.000 0.000 0.238 188 A C -0.543 177.183 177.584 0.237 0.000 1.074 188 A CA -0.197 51.948 52.037 0.179 0.000 0.774 188 A CB 0.090 19.174 19.000 0.141 0.000 1.015 188 A HN 0.729 nan 8.150 nan 0.000 0.498 189 F N 1.429 121.465 119.950 0.143 0.000 2.443 189 F HA 0.647 5.174 4.527 -0.000 0.000 0.335 189 F C -0.373 175.546 175.800 0.198 0.000 1.104 189 F CA -0.854 57.227 58.000 0.135 0.000 1.013 189 F CB 1.072 40.119 39.000 0.077 0.000 1.136 189 F HN 0.419 nan 8.300 nan 0.000 0.470 190 I N 6.764 126.878 120.570 -0.762 0.000 2.321 190 I HA 0.405 4.575 4.170 -0.000 0.000 0.291 190 I C -0.350 175.273 176.117 -0.823 0.000 0.998 190 I CA -0.643 60.346 61.300 -0.518 0.000 1.227 190 I CB 1.199 39.042 38.000 -0.263 0.000 1.368 190 I HN 0.506 nan 8.210 nan 0.000 0.466 191 R N 5.231 125.608 120.500 -0.204 0.000 2.346 191 R HA 0.710 5.050 4.340 -0.000 0.000 0.311 191 R C -1.127 175.202 176.300 0.048 0.000 0.983 191 R CA -0.707 55.396 56.100 0.006 0.000 0.880 191 R CB 2.562 33.063 30.300 0.336 0.000 1.100 191 R HN 0.425 nan 8.270 nan 0.000 0.453 192 V N 1.897 121.832 119.914 0.036 0.000 2.808 192 V HA 0.553 4.673 4.120 -0.000 0.000 0.308 192 V C -0.633 175.502 176.094 0.068 0.000 1.099 192 V CA -0.673 61.678 62.300 0.084 0.000 0.920 192 V CB 1.935 33.792 31.823 0.056 0.000 1.014 192 V HN 0.960 nan 8.190 nan 0.000 0.425 193 A N 4.274 127.145 122.820 0.084 0.000 2.565 193 A HA 0.351 4.671 4.320 -0.000 0.000 0.237 193 A C 1.504 178.966 177.584 -0.204 0.000 1.053 193 A CA 0.725 52.711 52.037 -0.085 0.000 0.755 193 A CB 0.281 19.113 19.000 -0.281 0.000 0.980 193 A HN 1.928 nan 8.150 nan 0.000 0.506 194 S N 1.863 117.490 115.700 -0.121 0.000 2.442 194 S HA -0.243 4.227 4.470 -0.000 0.000 0.236 194 S C 1.499 175.979 174.600 -0.201 0.000 1.007 194 S CA 1.599 59.732 58.200 -0.112 0.000 0.965 194 S CB -0.844 62.333 63.200 -0.037 0.000 0.773 194 S HN 1.129 nan 8.310 nan 0.000 0.504 195 Y N -0.033 120.103 120.300 -0.273 0.000 2.509 195 Y HA 0.334 4.884 4.550 -0.000 0.000 0.293 195 Y C 0.224 175.924 175.900 -0.333 0.000 1.133 195 Y CA -0.886 56.960 58.100 -0.423 0.000 1.283 195 Y CB -0.808 37.365 38.460 -0.478 0.000 1.001 195 Y HN 0.110 nan 8.280 nan 0.000 0.555 196 Y N 4.697 124.539 120.300 -0.764 0.000 2.537 196 Y HA 0.230 4.780 4.550 -0.000 0.000 0.339 196 Y C -2.089 173.620 175.900 -0.317 0.000 1.066 196 Y CA -3.596 54.206 58.100 -0.497 0.000 1.357 196 Y CB 0.229 38.393 38.460 -0.493 0.000 1.175 196 Y HN 0.092 nan 8.280 nan 0.000 0.525 197 P HA 0.095 nan 4.420 nan 0.000 0.231 197 P C -0.743 176.554 177.300 -0.006 0.000 1.811 197 P CA 0.135 63.183 63.100 -0.088 0.000 1.051 197 P CB -0.183 31.431 31.700 -0.142 0.000 1.951 198 V N -0.702 119.155 119.914 -0.095 0.000 3.074 198 V HA 0.800 4.920 4.120 -0.000 0.000 0.314 198 V C -0.487 175.547 176.094 -0.100 0.000 1.117 198 V CA -0.778 61.445 62.300 -0.128 0.000 1.014 198 V CB 2.114 33.626 31.823 -0.517 0.000 1.057 198 V HN 0.070 nan 8.190 nan 0.000 0.438 199 T N 4.911 119.438 114.554 -0.045 0.000 2.847 199 T HA 0.623 4.973 4.350 -0.000 0.000 0.291 199 T C -0.491 174.084 174.700 -0.207 0.000 0.998 199 T CA -0.378 61.622 62.100 -0.166 0.000 0.967 199 T CB 1.030 69.816 68.868 -0.136 0.000 0.954 199 T HN 0.663 nan 8.240 nan 0.000 0.441 200 M N 3.733 123.139 119.600 -0.322 0.000 2.300 200 M HA 0.564 5.044 4.480 -0.000 0.000 0.348 200 M C -1.039 174.980 176.300 -0.468 0.000 1.151 200 M CA -0.752 54.424 55.300 -0.207 0.000 1.046 200 M CB 0.781 33.325 32.600 -0.094 0.000 1.647 200 M HN 0.491 nan 8.290 nan 0.000 0.451 201 F N 0.143 120.119 119.950 0.042 0.000 2.540 201 F HA 0.446 4.973 4.527 -0.000 0.000 0.317 201 F C 0.381 176.195 175.800 0.023 0.000 1.104 201 F CA -0.740 57.275 58.000 0.025 0.000 0.913 201 F CB 2.063 41.077 39.000 0.023 0.000 1.170 201 F HN 0.482 nan 8.300 nan 0.000 0.450 202 S N 1.899 117.718 115.700 0.199 0.000 2.456 202 S HA 0.354 4.824 4.470 -0.000 0.000 0.316 202 S C -0.258 174.420 174.600 0.130 0.000 1.089 202 S CA -0.417 57.863 58.200 0.134 0.000 1.101 202 S CB 0.875 64.131 63.200 0.093 0.000 0.995 202 S HN 0.778 nan 8.310 nan 0.000 0.468 203 Q N 3.151 123.013 119.800 0.104 0.000 2.165 203 Q HA 0.280 4.620 4.340 -0.000 0.000 0.245 203 Q C -0.799 175.244 176.000 0.071 0.000 0.841 203 Q CA -0.200 55.649 55.803 0.077 0.000 1.078 203 Q CB 1.076 29.846 28.738 0.053 0.000 1.169 203 Q HN 0.512 nan 8.270 nan 0.000 0.475 204 V N 1.891 121.854 119.914 0.081 0.000 2.389 204 V HA 0.200 4.320 4.120 -0.000 0.000 0.264 204 V C 0.368 176.507 176.094 0.076 0.000 1.049 204 V CA -0.200 62.146 62.300 0.076 0.000 0.932 204 V CB 0.643 32.516 31.823 0.082 0.000 1.011 204 V HN 0.280 nan 8.190 nan 0.000 0.475 205 R N 2.878 123.417 120.500 0.064 0.000 2.340 205 R HA 0.351 4.691 4.340 -0.000 0.000 0.300 205 R C 0.115 176.451 176.300 0.059 0.000 1.069 205 R CA -0.284 55.852 56.100 0.060 0.000 0.984 205 R CB 0.772 31.101 30.300 0.049 0.000 1.003 205 R HN 0.629 nan 8.270 nan 0.000 0.459 206 T N 4.744 119.335 114.554 0.062 0.000 2.794 206 T HA 0.272 4.622 4.350 -0.000 0.000 0.296 206 T C 0.284 175.011 174.700 0.045 0.000 0.949 206 T CA -0.308 61.827 62.100 0.058 0.000 1.101 206 T CB 0.417 69.325 68.868 0.066 0.000 0.905 206 T HN 0.225 nan 8.240 nan 0.000 0.516 207 L N 5.136 126.383 121.223 0.039 0.000 2.344 207 L HA 0.454 4.794 4.340 -0.000 0.000 0.272 207 L C -2.095 174.791 176.870 0.027 0.000 1.035 207 L CA -2.758 52.101 54.840 0.031 0.000 0.807 207 L CB 0.949 43.024 42.059 0.027 0.000 1.237 207 L HN 0.318 nan 8.230 nan 0.000 0.442 208 P HA -0.013 nan 4.420 nan 0.000 0.267 208 P C -0.015 177.293 177.300 0.015 0.000 1.195 208 P CA 0.098 63.209 63.100 0.018 0.000 0.773 208 P CB 0.488 32.198 31.700 0.016 0.000 0.837 209 R N 1.697 122.205 120.500 0.013 0.000 2.117 209 R HA -0.046 4.294 4.340 -0.000 0.000 0.243 209 R C 1.579 177.881 176.300 0.003 0.000 1.143 209 R CA 1.812 57.917 56.100 0.009 0.000 0.968 209 R CB -0.760 29.545 30.300 0.008 0.000 0.863 209 R HN 0.611 nan 8.270 nan 0.000 0.444 210 G N -0.535 108.267 108.800 0.002 0.000 5.001 210 G HA2 0.237 4.197 3.960 -0.000 0.000 0.304 210 G HA3 0.237 4.197 3.960 -0.000 0.000 0.304 210 G C -0.740 174.159 174.900 -0.002 0.000 1.400 210 G CA -0.380 44.718 45.100 -0.003 0.000 1.029 210 G HN 0.129 nan 8.290 nan 0.000 0.584 211 S N -0.242 115.459 115.700 0.001 0.000 2.645 211 S HA 0.608 5.078 4.470 -0.000 0.000 0.266 211 S C 1.885 176.485 174.600 0.001 0.000 1.258 211 S CA 0.293 58.496 58.200 0.005 0.000 0.990 211 S CB 1.215 64.422 63.200 0.011 0.000 0.967 211 S HN 0.643 nan 8.310 nan 0.000 0.556 212 A N 1.540 124.365 122.820 0.008 0.000 1.898 212 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 212 A C 1.863 179.457 177.584 0.016 0.000 1.181 212 A CA 1.466 53.510 52.037 0.012 0.000 0.620 212 A CB -0.816 18.196 19.000 0.021 0.000 0.819 212 A HN 0.926 nan 8.150 nan 0.000 0.442 213 E N -0.326 119.889 120.200 0.024 0.000 2.338 213 E HA -0.026 4.324 4.350 -0.000 0.000 0.197 213 E C 2.113 178.727 176.600 0.024 0.000 1.007 213 E CA 0.511 56.934 56.400 0.037 0.000 0.849 213 E CB -0.210 29.514 29.700 0.039 0.000 0.774 213 E HN 0.629 nan 8.360 nan 0.000 0.506 214 A N 1.151 123.972 122.820 0.001 0.000 2.024 214 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 214 A C 2.066 179.618 177.584 -0.053 0.000 1.164 214 A CA 1.508 53.536 52.037 -0.015 0.000 0.643 214 A CB -0.400 18.588 19.000 -0.020 0.000 0.806 214 A HN 0.247 nan 8.150 nan 0.000 0.451 215 Q N -1.752 117.987 119.800 -0.102 0.000 1.990 215 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 215 Q C 1.056 176.860 176.000 -0.328 0.000 0.980 215 Q CA 1.840 57.480 55.803 -0.273 0.000 0.832 215 Q CB -0.111 28.385 28.738 -0.404 0.000 0.897 215 Q HN 0.809 nan 8.270 nan 0.000 0.427 216 Y N -1.542 118.768 120.300 0.017 0.000 2.531 216 Y HA 0.218 4.768 4.550 -0.000 0.000 0.249 216 Y C 0.112 176.025 175.900 0.022 0.000 1.168 216 Y CA -1.014 57.097 58.100 0.019 0.000 1.226 216 Y CB 1.107 39.577 38.460 0.017 0.000 1.177 216 Y HN 0.141 nan 8.280 nan 0.000 0.527 217 c N 3.102 121.783 118.600 0.134 0.000 2.373 217 c HA 0.277 4.847 4.570 -0.000 0.000 0.354 217 c C 0.276 174.414 174.090 0.079 0.000 1.249 217 c CA -0.519 55.868 56.329 0.096 0.000 1.784 217 c CB -0.879 41.672 42.510 0.069 0.000 2.408 217 c HN 0.256 nan 8.230 nan 0.000 0.542 218 E N 3.263 123.513 120.200 0.084 0.000 2.318 218 E HA 0.292 4.642 4.350 -0.000 0.000 0.265 218 E C -0.674 175.965 176.600 0.065 0.000 1.069 218 E CA -0.478 55.967 56.400 0.075 0.000 0.893 218 E CB 1.458 31.209 29.700 0.084 0.000 1.076 218 E HN 0.657 nan 8.360 nan 0.000 0.414 219 L N 2.666 123.926 121.223 0.061 0.000 2.280 219 L HA 0.329 4.669 4.340 -0.000 0.000 0.287 219 L C -0.921 175.994 176.870 0.074 0.000 1.023 219 L CA -0.075 54.803 54.840 0.065 0.000 0.819 219 L CB 0.769 42.864 42.059 0.059 0.000 1.212 219 L HN 0.228 nan 8.230 nan 0.000 0.420 220 D N 3.287 123.733 120.400 0.075 0.000 2.433 220 D HA 0.403 5.043 4.640 -0.000 0.000 0.236 220 D C -1.140 175.192 176.300 0.053 0.000 1.026 220 D CA -0.218 53.828 54.000 0.076 0.000 0.884 220 D CB 2.995 43.847 40.800 0.085 0.000 1.384 220 D HN 0.325 nan 8.370 nan 0.000 0.477 221 V N 1.465 121.394 119.914 0.025 0.000 2.459 221 V HA 0.448 4.568 4.120 -0.000 0.000 0.295 221 V C -1.006 175.091 176.094 0.006 0.000 1.029 221 V CA -0.363 61.889 62.300 -0.081 0.000 0.874 221 V CB 1.566 33.145 31.823 -0.406 0.000 0.985 221 V HN 0.284 nan 8.190 nan 0.000 0.438 222 V N 9.374 129.296 119.914 0.013 0.000 2.349 222 V HA 0.464 4.584 4.120 -0.000 0.000 0.284 222 V C -2.300 173.765 176.094 -0.049 0.000 1.014 222 V CA -1.498 60.813 62.300 0.019 0.000 0.826 222 V CB 1.673 33.503 31.823 0.011 0.000 1.009 222 V HN 0.844 nan 8.190 nan 0.000 0.431 223 P HA 0.413 nan 4.420 nan 0.000 0.279 223 P C 0.038 177.180 177.300 -0.264 0.000 1.239 223 P CA 0.280 63.158 63.100 -0.369 0.000 0.789 223 P CB 1.936 33.455 31.700 -0.303 0.000 0.933 224 G N 1.527 110.133 108.800 -0.322 0.000 3.013 224 G HA2 0.354 4.314 3.960 -0.000 0.000 0.278 224 G HA3 0.354 4.314 3.960 -0.000 0.000 0.278 224 G C -0.888 173.906 174.900 -0.176 0.000 1.353 224 G CA -0.566 44.424 45.100 -0.182 0.000 1.043 224 G HN 0.322 nan 8.290 nan 0.000 0.523 225 D N -0.254 120.088 120.400 -0.097 0.000 2.378 225 D HA 0.161 4.801 4.640 -0.000 0.000 0.238 225 D C 1.216 177.485 176.300 -0.052 0.000 1.180 225 D CA 0.283 54.245 54.000 -0.064 0.000 0.895 225 D CB 0.745 41.526 40.800 -0.031 0.000 1.192 225 D HN 0.376 nan 8.370 nan 0.000 0.438 226 L N 1.322 122.530 121.223 -0.025 0.000 3.678 226 L HA -0.336 4.004 4.340 -0.000 0.000 0.425 226 L C -0.062 176.810 176.870 0.003 0.000 1.240 226 L CA 0.001 54.844 54.840 0.006 0.000 0.876 226 L CB -1.620 40.454 42.059 0.024 0.000 1.766 226 L HN 0.539 nan 8.230 nan 0.000 0.917 227 N N -1.181 117.489 118.700 -0.049 0.000 2.754 227 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 227 N C 0.317 175.808 175.510 -0.031 0.000 1.093 227 N CA 1.155 54.188 53.050 -0.029 0.000 0.699 227 N CB -0.480 38.084 38.487 0.129 0.000 1.016 227 N HN 0.488 nan 8.380 nan 0.000 0.552 228 R N -0.295 120.118 120.500 -0.145 0.000 2.357 228 R HA 0.541 4.881 4.340 -0.000 0.000 0.296 228 R C -0.224 175.903 176.300 -0.289 0.000 1.052 228 R CA 0.190 56.270 56.100 -0.033 0.000 0.988 228 R CB 0.417 30.773 30.300 0.094 0.000 1.025 228 R HN 0.043 nan 8.270 nan 0.000 0.469 229 F N 0.043 120.035 119.950 0.070 0.000 2.547 229 F HA 0.376 4.903 4.527 -0.000 0.000 0.316 229 F C -0.051 175.802 175.800 0.088 0.000 1.121 229 F CA -0.668 57.342 58.000 0.016 0.000 0.911 229 F CB 2.388 41.343 39.000 -0.075 0.000 1.179 229 F HN 0.273 nan 8.300 nan 0.000 0.443 230 T N 4.711 119.388 114.554 0.204 0.000 2.779 230 T HA 0.537 4.887 4.350 -0.000 0.000 0.280 230 T C -0.699 174.060 174.700 0.098 0.000 0.987 230 T CA -0.498 61.714 62.100 0.186 0.000 0.966 230 T CB 0.955 69.888 68.868 0.108 0.000 0.933 230 T HN 0.113 nan 8.240 nan 0.000 0.442 231 L N 4.285 125.568 121.223 0.099 0.000 2.312 231 L HA 0.631 4.971 4.340 -0.000 0.000 0.281 231 L C 0.953 177.867 176.870 0.073 0.000 1.070 231 L CA -0.029 54.852 54.840 0.068 0.000 0.805 231 L CB 1.014 43.123 42.059 0.083 0.000 1.174 231 L HN 0.888 nan 8.230 nan 0.000 0.434 232 T N -0.593 113.999 114.554 0.063 0.000 2.901 232 T HA 0.924 5.274 4.350 -0.000 0.000 0.293 232 T C 0.101 174.837 174.700 0.059 0.000 1.084 232 T CA -0.118 62.017 62.100 0.058 0.000 1.008 232 T CB 2.018 70.913 68.868 0.045 0.000 1.170 232 T HN 1.127 nan 8.240 nan 0.000 0.509 233 G N -0.210 108.623 108.800 0.055 0.000 2.516 233 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.220 233 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.220 233 G C -0.503 174.430 174.900 0.055 0.000 1.165 233 G CA -0.307 44.826 45.100 0.055 0.000 1.013 233 G HN 1.357 nan 8.290 nan 0.000 0.590 234 c N -0.802 117.831 118.600 0.054 0.000 2.707 234 c HA 0.851 5.421 4.570 -0.000 0.000 0.313 234 c C -0.353 173.765 174.090 0.047 0.000 1.209 234 c CA -0.305 56.054 56.329 0.050 0.000 1.635 234 c CB 1.067 43.603 42.510 0.044 0.000 2.206 234 c HN 1.105 nan 8.230 nan 0.000 0.485 235 L N 3.855 125.106 121.223 0.046 0.000 2.441 235 L HA 0.586 4.926 4.340 -0.000 0.000 0.270 235 L C -2.771 174.120 176.870 0.035 0.000 0.973 235 L CA -1.445 53.419 54.840 0.040 0.000 0.842 235 L CB 1.671 43.759 42.059 0.049 0.000 1.239 235 L HN 0.405 nan 8.230 nan 0.000 0.406 236 P HA 0.122 nan 4.420 nan 0.000 0.268 236 P C -1.044 176.270 177.300 0.023 0.000 1.205 236 P CA -0.117 62.995 63.100 0.020 0.000 0.771 236 P CB 0.420 32.126 31.700 0.009 0.000 0.858 237 Q N 2.482 122.298 119.800 0.026 0.000 2.304 237 Q HA 0.030 4.370 4.340 -0.000 0.000 0.301 237 Q C 0.376 176.389 176.000 0.022 0.000 1.063 237 Q CA 0.897 56.718 55.803 0.031 0.000 0.947 237 Q CB 0.231 28.988 28.738 0.031 0.000 1.201 237 Q HN 0.455 nan 8.270 nan 0.000 0.389 238 R N -0.535 119.980 120.500 0.024 0.000 2.740 238 R HA 0.357 4.697 4.340 -0.000 0.000 0.273 238 R C 0.343 176.655 176.300 0.020 0.000 0.998 238 R CA -0.508 55.599 56.100 0.011 0.000 0.900 238 R CB 0.841 31.136 30.300 -0.007 0.000 1.223 238 R HN 0.622 nan 8.270 nan 0.000 0.466 239 S N -0.205 115.502 115.700 0.012 0.000 2.436 239 S HA 0.020 4.490 4.470 -0.000 0.000 0.228 239 S C 0.200 174.812 174.600 0.020 0.000 1.014 239 S CA 0.265 58.478 58.200 0.022 0.000 0.950 239 S CB -0.077 63.132 63.200 0.015 0.000 0.784 239 S HN 0.608 nan 8.310 nan 0.000 0.504 240 E N 2.442 122.635 120.200 -0.012 0.000 2.212 240 E HA 0.437 4.787 4.350 -0.000 0.000 0.268 240 E C -2.870 173.652 176.600 -0.130 0.000 0.902 240 E CA -2.701 53.671 56.400 -0.048 0.000 0.779 240 E CB 1.532 31.203 29.700 -0.048 0.000 1.172 240 E HN 0.211 nan 8.360 nan 0.000 0.409 241 P HA 0.036 nan 4.420 nan 0.000 0.269 241 P C -0.293 176.830 177.300 -0.295 0.000 1.209 241 P CA -0.460 62.320 63.100 -0.533 0.000 0.776 241 P CB 0.638 31.668 31.700 -1.117 0.000 0.876 242 L N 5.501 126.583 121.223 -0.235 0.000 2.278 242 L HA 0.398 4.738 4.340 -0.000 0.000 0.287 242 L C -2.274 174.496 176.870 -0.167 0.000 1.072 242 L CA -2.230 52.518 54.840 -0.153 0.000 0.819 242 L CB 0.469 42.470 42.059 -0.097 0.000 1.176 242 L HN 0.229 nan 8.230 nan 0.000 0.435 243 P HA 0.285 nan 4.420 nan 0.000 0.280 243 P C -1.336 175.827 177.300 -0.228 0.000 1.244 243 P CA -0.194 62.803 63.100 -0.171 0.000 0.784 243 P CB 1.230 32.846 31.700 -0.139 0.000 0.913 244 L N 1.941 122.966 121.223 -0.329 0.000 2.409 244 L HA 0.794 5.134 4.340 -0.000 0.000 0.262 244 L C -0.315 176.066 176.870 -0.816 0.000 0.992 244 L CA -0.949 53.540 54.840 -0.585 0.000 0.817 244 L CB 2.391 44.069 42.059 -0.635 0.000 1.350 244 L HN 0.358 nan 8.230 nan 0.000 0.411 245 A N 1.882 124.104 122.820 -0.998 0.000 2.393 245 A HA 0.912 5.232 4.320 -0.000 0.000 0.306 245 A C -1.563 175.284 177.584 -1.228 0.000 1.050 245 A CA -0.285 51.173 52.037 -0.965 0.000 0.724 245 A CB 1.088 19.773 19.000 -0.526 0.000 1.248 245 A HN 0.421 nan 8.150 nan 0.000 0.424 246 F N 0.601 119.980 119.950 -0.952 0.000 2.577 246 F HA 0.717 5.244 4.527 -0.000 0.000 0.318 246 F C 0.640 176.009 175.800 -0.719 0.000 1.065 246 F CA -0.805 56.666 58.000 -0.881 0.000 0.929 246 F CB 2.184 40.479 39.000 -1.174 0.000 1.237 246 F HN 0.721 nan 8.300 nan 0.000 0.468 247 A N 1.510 124.269 122.820 -0.101 0.000 2.328 247 A HA 0.600 4.920 4.320 -0.000 0.000 0.284 247 A C -0.585 177.121 177.584 0.203 0.000 1.160 247 A CA -0.576 51.453 52.037 -0.014 0.000 0.818 247 A CB 0.229 19.210 19.000 -0.032 0.000 1.087 247 A HN 0.563 nan 8.150 nan 0.000 0.504 248 V N 3.831 123.825 119.914 0.133 0.000 2.529 248 V HA -0.010 4.110 4.120 -0.000 0.000 0.292 248 V C 0.986 177.143 176.094 0.106 0.000 1.028 248 V CA 0.241 62.607 62.300 0.110 0.000 1.074 248 V CB 0.768 32.372 31.823 -0.365 0.000 0.958 248 V HN 1.018 nan 8.190 nan 0.000 0.481 249 Q N 2.102 121.983 119.800 0.136 0.000 2.354 249 Q HA 0.069 4.409 4.340 -0.000 0.000 0.203 249 Q C 0.552 176.584 176.000 0.054 0.000 0.933 249 Q CA 0.515 56.363 55.803 0.075 0.000 0.901 249 Q CB 0.190 28.938 28.738 0.017 0.000 1.007 249 Q HN 0.821 nan 8.270 nan 0.000 0.495 250 D N -0.099 120.325 120.400 0.041 0.000 2.434 250 D HA 0.236 4.876 4.640 -0.000 0.000 0.275 250 D C 0.946 177.281 176.300 0.058 0.000 1.172 250 D CA -0.317 53.712 54.000 0.047 0.000 0.916 250 D CB 0.507 41.330 40.800 0.038 0.000 1.041 250 D HN 0.099 nan 8.370 nan 0.000 0.501 251 G N 1.861 110.686 108.800 0.042 0.000 2.442 251 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 251 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 251 G C 1.433 176.327 174.900 -0.009 0.000 1.141 251 G CA 0.972 46.092 45.100 0.033 0.000 0.763 251 G HN 0.534 nan 8.290 nan 0.000 0.554 252 A N 0.718 123.513 122.820 -0.042 0.000 1.902 252 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 252 A C 2.713 180.270 177.584 -0.045 0.000 1.181 252 A CA 2.287 54.263 52.037 -0.102 0.000 0.623 252 A CB -0.639 18.328 19.000 -0.055 0.000 0.818 252 A HN 0.312 nan 8.150 nan 0.000 0.443 253 S N -1.942 113.773 115.700 0.026 0.000 2.383 253 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 253 S C 1.832 176.484 174.600 0.088 0.000 1.026 253 S CA 1.366 59.598 58.200 0.052 0.000 0.981 253 S CB -0.509 62.730 63.200 0.065 0.000 0.818 253 S HN 0.668 nan 8.310 nan 0.000 0.472 254 Y N 2.281 122.566 120.300 -0.024 0.000 2.145 254 Y HA -0.111 4.439 4.550 -0.000 0.000 0.286 254 Y C 2.444 178.340 175.900 -0.005 0.000 1.145 254 Y CA 1.111 59.209 58.100 -0.003 0.000 1.148 254 Y CB -0.778 37.691 38.460 0.014 0.000 0.981 254 Y HN 0.215 nan 8.280 nan 0.000 0.507 255 A N -0.085 122.757 122.820 0.036 0.000 1.902 255 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 255 A C 2.483 180.051 177.584 -0.027 0.000 1.181 255 A CA 1.631 53.622 52.037 -0.076 0.000 0.623 255 A CB -1.694 17.046 19.000 -0.433 0.000 0.818 255 A HN 0.587 nan 8.150 nan 0.000 0.443 256 G N -0.384 108.394 108.800 -0.037 0.000 2.440 256 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.218 256 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.218 256 G C 1.726 176.629 174.900 0.005 0.000 1.154 256 G CA 1.522 46.621 45.100 -0.001 0.000 0.767 256 G HN 0.815 nan 8.290 nan 0.000 0.552 257 A N 0.434 123.252 122.820 -0.005 0.000 1.930 257 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 257 A C 2.395 179.992 177.584 0.021 0.000 1.175 257 A CA 1.109 53.152 52.037 0.011 0.000 0.627 257 A CB -0.273 18.714 19.000 -0.022 0.000 0.815 257 A HN 0.385 nan 8.150 nan 0.000 0.443 258 I N -0.871 119.674 120.570 -0.042 0.000 2.252 258 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 258 I C 2.399 178.577 176.117 0.102 0.000 1.102 258 I CA 1.020 62.331 61.300 0.019 0.000 1.385 258 I CB -0.232 37.739 38.000 -0.048 0.000 1.064 258 I HN 0.384 nan 8.210 nan 0.000 0.414 259 L N 1.369 122.632 121.223 0.067 0.000 2.042 259 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 259 L C 2.462 179.323 176.870 -0.016 0.000 1.076 259 L CA 1.965 56.824 54.840 0.032 0.000 0.749 259 L CB -0.731 41.343 42.059 0.025 0.000 0.893 259 L HN 0.127 nan 8.230 nan 0.000 0.432 260 K N -1.843 118.556 120.400 -0.001 0.000 2.057 260 K HA -0.285 4.035 4.320 -0.000 0.000 0.207 260 K C 2.310 179.032 176.600 0.203 0.000 1.049 260 K CA 1.906 58.220 56.287 0.045 0.000 0.931 260 K CB -0.550 32.048 32.500 0.163 0.000 0.714 260 K HN 0.439 nan 8.250 nan 0.000 0.440 261 Y N 1.884 122.234 120.300 0.083 0.000 2.145 261 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 261 Y C 1.975 177.917 175.900 0.071 0.000 1.145 261 Y CA 1.865 60.015 58.100 0.082 0.000 1.148 261 Y CB -0.012 38.475 38.460 0.045 0.000 0.981 261 Y HN 0.151 nan 8.280 nan 0.000 0.507 262 E N 0.440 120.643 120.200 0.005 0.000 2.106 262 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 262 E C 2.380 178.928 176.600 -0.086 0.000 0.984 262 E CA 1.246 57.592 56.400 -0.089 0.000 0.806 262 E CB -0.552 29.161 29.700 0.022 0.000 0.750 262 E HN 0.552 nan 8.360 nan 0.000 0.458 263 L N 0.823 122.032 121.223 -0.024 0.000 2.012 263 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 263 L C 2.516 179.455 176.870 0.115 0.000 1.073 263 L CA 1.514 56.379 54.840 0.041 0.000 0.748 263 L CB -0.395 41.660 42.059 -0.007 0.000 0.891 263 L HN 0.064 nan 8.230 nan 0.000 0.431 264 K N -0.696 119.789 120.400 0.142 0.000 2.057 264 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 264 K C 2.248 178.797 176.600 -0.085 0.000 1.049 264 K CA 1.134 57.457 56.287 0.060 0.000 0.931 264 K CB -0.100 32.430 32.500 0.051 0.000 0.714 264 K HN 0.254 nan 8.250 nan 0.000 0.440 265 Q N -0.128 119.530 119.800 -0.236 0.000 2.167 265 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 265 Q C 1.944 177.873 176.000 -0.119 0.000 0.970 265 Q CA 1.384 57.040 55.803 -0.246 0.000 0.855 265 Q CB -0.123 28.367 28.738 -0.414 0.000 0.911 265 Q HN 0.318 nan 8.270 nan 0.000 0.438 266 A N -0.346 122.425 122.820 -0.083 0.000 2.206 266 A HA 0.282 4.602 4.320 -0.000 0.000 0.211 266 A C 1.432 179.008 177.584 -0.014 0.000 1.158 266 A CA 0.990 53.004 52.037 -0.039 0.000 0.761 266 A CB -0.277 18.707 19.000 -0.027 0.000 0.801 266 A HN 0.417 nan 8.150 nan 0.000 0.473 267 G N -0.899 107.896 108.800 -0.008 0.000 2.147 267 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 267 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 267 G C 0.028 174.950 174.900 0.035 0.000 1.005 267 G CA 0.282 45.385 45.100 0.004 0.000 0.713 267 G HN 0.477 nan 8.290 nan 0.000 0.515 268 I N 2.264 122.883 120.570 0.081 0.000 2.325 268 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 268 I C 1.168 177.431 176.117 0.243 0.000 1.019 268 I CA 0.004 61.385 61.300 0.135 0.000 1.302 268 I CB 1.219 39.295 38.000 0.126 0.000 1.401 268 I HN 0.288 nan 8.210 nan 0.000 0.485 269 T N 2.299 116.952 114.554 0.166 0.000 2.944 269 T HA 0.677 5.027 4.350 -0.000 0.000 0.284 269 T C -0.916 173.950 174.700 0.277 0.000 1.010 269 T CA -0.674 61.477 62.100 0.084 0.000 1.025 269 T CB 1.485 70.316 68.868 -0.062 0.000 1.079 269 T HN 0.664 nan 8.240 nan 0.000 0.516 270 W N -0.202 121.097 121.300 -0.002 0.000 3.167 270 W HA 0.604 5.264 4.660 0.000 0.000 0.324 270 W C 0.462 176.984 176.519 0.005 0.000 1.230 270 W CA -0.487 56.859 57.345 0.003 0.000 1.184 270 W CB 0.881 30.345 29.460 0.006 0.000 1.414 270 W HN 0.686 nan 8.180 nan 0.000 0.551 271 S N 0.627 116.409 115.700 0.138 0.000 2.492 271 S HA 0.350 4.820 4.470 -0.000 0.000 0.218 271 S C 0.932 175.593 174.600 0.102 0.000 1.016 271 S CA 0.520 58.746 58.200 0.043 0.000 0.916 271 S CB -0.259 62.969 63.200 0.047 0.000 0.791 271 S HN 0.836 nan 8.310 nan 0.000 0.513 272 G N 1.613 110.557 108.800 0.239 0.000 2.783 272 G HA2 0.521 4.481 3.960 -0.000 0.000 0.182 272 G HA3 0.521 4.481 3.960 -0.000 0.000 0.182 272 G C -0.062 175.021 174.900 0.305 0.000 1.516 272 G CA 0.276 45.508 45.100 0.221 0.000 1.079 272 G HN 0.640 nan 8.290 nan 0.000 0.573 273 T N -2.967 111.732 114.554 0.243 0.000 2.838 273 T HA 0.592 4.942 4.350 -0.000 0.000 0.292 273 T C -0.555 174.229 174.700 0.140 0.000 1.113 273 T CA -0.901 61.345 62.100 0.243 0.000 1.008 273 T CB 1.461 70.418 68.868 0.150 0.000 1.259 273 T HN 0.214 nan 8.240 nan 0.000 0.520 274 L N 1.814 123.106 121.223 0.115 0.000 2.361 274 L HA 0.468 4.808 4.340 -0.000 0.000 0.278 274 L C -0.465 176.427 176.870 0.037 0.000 1.113 274 L CA -0.115 54.740 54.840 0.025 0.000 0.849 274 L CB 0.170 42.245 42.059 0.027 0.000 1.155 274 L HN 0.634 nan 8.230 nan 0.000 0.452 275 L N 3.906 125.140 121.223 0.019 0.000 2.388 275 L HA 0.542 4.882 4.340 -0.000 0.000 0.264 275 L C 0.097 176.980 176.870 0.021 0.000 0.998 275 L CA -0.764 54.091 54.840 0.026 0.000 0.817 275 L CB 2.814 44.890 42.059 0.028 0.000 1.338 275 L HN 0.513 nan 8.230 nan 0.000 0.414 276 R N 1.599 122.114 120.500 0.024 0.000 2.410 276 R HA 0.280 4.620 4.340 -0.000 0.000 0.288 276 R C -0.710 175.607 176.300 0.027 0.000 1.051 276 R CA -0.307 55.808 56.100 0.025 0.000 1.021 276 R CB 1.092 31.405 30.300 0.022 0.000 1.032 276 R HN 0.611 nan 8.270 nan 0.000 0.481 277 Q N 2.156 121.975 119.800 0.033 0.000 2.357 277 Q HA 0.164 4.504 4.340 -0.000 0.000 0.266 277 Q C -0.191 175.829 176.000 0.034 0.000 1.021 277 Q CA -0.424 55.398 55.803 0.031 0.000 0.784 277 Q CB 1.515 30.272 28.738 0.031 0.000 1.243 277 Q HN 0.844 nan 8.270 nan 0.000 0.465 278 T N 0.121 114.693 114.554 0.030 0.000 2.990 278 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 278 T C 0.344 175.064 174.700 0.033 0.000 1.041 278 T CA -0.101 62.019 62.100 0.032 0.000 1.010 278 T CB 0.416 69.301 68.868 0.029 0.000 1.003 278 T HN 0.412 nan 8.240 nan 0.000 0.499 279 Q N 2.531 122.349 119.800 0.030 0.000 2.230 279 Q HA 0.495 4.835 4.340 -0.000 0.000 0.253 279 Q C 0.150 176.170 176.000 0.033 0.000 0.919 279 Q CA -0.643 55.178 55.803 0.030 0.000 0.908 279 Q CB 2.002 30.755 28.738 0.025 0.000 1.245 279 Q HN 0.414 nan 8.270 nan 0.000 0.437 280 V N 0.709 120.647 119.914 0.040 0.000 2.788 280 V HA 0.284 4.404 4.120 -0.000 0.000 0.307 280 V C -0.130 175.985 176.094 0.034 0.000 1.069 280 V CA -0.355 61.971 62.300 0.045 0.000 1.173 280 V CB -0.394 31.464 31.823 0.058 0.000 0.925 280 V HN 0.967 nan 8.190 nan 0.000 0.492 281 N N 1.110 119.829 118.700 0.032 0.000 2.484 281 N HA 0.366 5.106 4.740 -0.000 0.000 0.269 281 N C -1.171 174.352 175.510 0.022 0.000 1.237 281 N CA -0.935 52.129 53.050 0.024 0.000 0.838 281 N CB 1.450 39.949 38.487 0.020 0.000 1.593 281 N HN 0.617 nan 8.380 nan 0.000 0.485 282 E N 1.342 121.552 120.200 0.017 0.000 2.376 282 E HA 0.184 4.534 4.350 -0.000 0.000 0.266 282 E C -2.017 174.588 176.600 0.009 0.000 1.009 282 E CA -1.289 55.120 56.400 0.014 0.000 0.902 282 E CB 0.345 30.052 29.700 0.011 0.000 0.972 282 E HN 0.497 nan 8.360 nan 0.000 0.439 283 P HA 0.022 nan 4.420 nan 0.000 0.268 283 P C 0.239 177.537 177.300 -0.004 0.000 1.205 283 P CA -0.061 63.038 63.100 -0.001 0.000 0.771 283 P CB 0.749 32.447 31.700 -0.003 0.000 0.858 284 G N 1.720 110.514 108.800 -0.010 0.000 2.494 284 G HA2 0.239 4.198 3.960 -0.000 0.000 0.270 284 G HA3 0.239 4.198 3.960 -0.000 0.000 0.270 284 G C -0.544 174.348 174.900 -0.015 0.000 1.423 284 G CA -0.364 44.730 45.100 -0.011 0.000 1.055 284 G HN 0.425 nan 8.290 nan 0.000 0.536 285 T N 0.644 115.189 114.554 -0.015 0.000 2.752 285 T HA 0.282 4.632 4.350 -0.000 0.000 0.295 285 T C 0.391 175.075 174.700 -0.025 0.000 0.923 285 T CA -0.184 61.906 62.100 -0.018 0.000 1.112 285 T CB 0.891 69.750 68.868 -0.014 0.000 0.884 285 T HN 0.249 nan 8.240 nan 0.000 0.525 286 V N 5.999 125.896 119.914 -0.028 0.000 2.446 286 V HA 0.036 4.156 4.120 -0.000 0.000 0.276 286 V C 1.452 177.525 176.094 -0.036 0.000 1.030 286 V CA 0.222 62.499 62.300 -0.038 0.000 1.033 286 V CB 0.488 32.287 31.823 -0.040 0.000 0.993 286 V HN 0.888 nan 8.190 nan 0.000 0.477 287 V N 2.209 122.098 119.914 -0.040 0.000 3.523 287 V HA 0.736 4.856 4.120 -0.000 0.000 0.255 287 V C 0.642 176.712 176.094 -0.041 0.000 1.226 287 V CA 0.734 63.012 62.300 -0.036 0.000 1.092 287 V CB 0.200 32.004 31.823 -0.032 0.000 0.817 287 V HN 0.880 nan 8.190 nan 0.000 0.458 288 A N 0.395 123.183 122.820 -0.053 0.000 2.574 288 A HA 0.880 5.200 4.320 -0.000 0.000 0.297 288 A C -0.452 177.089 177.584 -0.071 0.000 1.062 288 A CA 0.238 52.241 52.037 -0.056 0.000 0.686 288 A CB 1.697 20.662 19.000 -0.058 0.000 1.285 288 A HN 1.281 nan 8.150 nan 0.000 0.403 289 S N 0.427 116.087 115.700 -0.066 0.000 2.596 289 S HA 0.865 5.335 4.470 -0.000 0.000 0.270 289 S C -1.139 173.422 174.600 -0.065 0.000 1.155 289 S CA -0.747 57.408 58.200 -0.075 0.000 0.827 289 S CB 1.994 65.154 63.200 -0.067 0.000 1.130 289 S HN 1.250 nan 8.310 nan 0.000 0.467 290 K N 0.723 121.082 120.400 -0.069 0.000 2.535 290 K HA 0.462 4.782 4.320 -0.000 0.000 0.250 290 K C -1.549 175.027 176.600 -0.040 0.000 0.948 290 K CA -0.143 56.116 56.287 -0.047 0.000 0.796 290 K CB 1.933 34.409 32.500 -0.041 0.000 1.216 290 K HN 0.779 nan 8.250 nan 0.000 0.432 291 Q N 1.813 121.595 119.800 -0.031 0.000 2.309 291 Q HA 0.381 4.721 4.340 -0.000 0.000 0.264 291 Q C -0.410 175.595 176.000 0.008 0.000 1.008 291 Q CA -0.997 54.789 55.803 -0.028 0.000 0.853 291 Q CB 1.928 30.630 28.738 -0.060 0.000 1.314 291 Q HN 0.887 nan 8.270 nan 0.000 0.448 292 S N 0.948 116.680 115.700 0.053 0.000 2.596 292 S HA 0.438 4.908 4.470 -0.000 0.000 0.260 292 S C 0.411 175.053 174.600 0.070 0.000 1.336 292 S CA -0.478 57.778 58.200 0.093 0.000 0.993 292 S CB 0.662 63.995 63.200 0.222 0.000 0.923 292 S HN 0.707 nan 8.310 nan 0.000 0.567 293 A N 1.560 124.429 122.820 0.082 0.000 2.567 293 A HA 0.401 4.721 4.320 -0.000 0.000 0.236 293 A C -2.233 175.412 177.584 0.101 0.000 1.088 293 A CA -0.809 51.276 52.037 0.079 0.000 0.776 293 A CB -1.333 17.717 19.000 0.082 0.000 1.033 293 A HN 0.734 nan 8.150 nan 0.000 0.513 294 P HA 0.040 nan 4.420 nan 0.000 0.267 294 P C 0.984 178.389 177.300 0.174 0.000 1.200 294 P CA -0.373 62.791 63.100 0.106 0.000 0.772 294 P CB 0.368 32.125 31.700 0.095 0.000 0.855 295 L N 3.000 124.352 121.223 0.216 0.000 2.043 295 L HA -0.231 4.108 4.340 -0.000 0.000 0.212 295 L C 2.197 179.181 176.870 0.189 0.000 1.075 295 L CA 2.010 57.006 54.840 0.260 0.000 0.752 295 L CB -1.347 40.887 42.059 0.291 0.000 0.891 295 L HN 0.507 nan 8.230 nan 0.000 0.432 296 H N -0.469 118.658 119.070 0.096 0.000 2.387 296 H HA -0.164 4.392 4.556 -0.000 0.000 0.299 296 H C 1.626 176.979 175.328 0.042 0.000 1.099 296 H CA 1.996 58.076 56.048 0.053 0.000 1.315 296 H CB 0.101 29.888 29.762 0.041 0.000 1.380 296 H HN 0.433 nan 8.280 nan 0.000 0.513 297 D N 0.412 120.927 120.400 0.191 0.000 2.117 297 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 297 D C 2.620 178.965 176.300 0.074 0.000 0.987 297 D CA 0.643 54.720 54.000 0.128 0.000 0.829 297 D CB -0.332 40.537 40.800 0.115 0.000 0.961 297 D HN 0.374 nan 8.370 nan 0.000 0.460 298 L N 0.114 121.398 121.223 0.103 0.000 2.056 298 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 298 L C 2.490 179.392 176.870 0.053 0.000 1.078 298 L CA 0.546 55.449 54.840 0.104 0.000 0.749 298 L CB -0.384 41.796 42.059 0.201 0.000 0.901 298 L HN 0.037 nan 8.230 nan 0.000 0.433 299 L N -0.008 121.219 121.223 0.008 0.000 2.079 299 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 299 L C 2.693 179.473 176.870 -0.151 0.000 1.081 299 L CA 1.355 56.143 54.840 -0.087 0.000 0.752 299 L CB -0.515 41.434 42.059 -0.183 0.000 0.896 299 L HN 0.275 nan 8.230 nan 0.000 0.433 300 K N 0.902 121.206 120.400 -0.161 0.000 2.026 300 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 300 K C 2.103 178.672 176.600 -0.050 0.000 1.048 300 K CA 1.401 57.615 56.287 -0.122 0.000 0.929 300 K CB -0.097 32.369 32.500 -0.058 0.000 0.713 300 K HN 0.163 nan 8.250 nan 0.000 0.439 301 I N 1.052 121.614 120.570 -0.013 0.000 2.163 301 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 301 I C 2.682 178.801 176.117 0.002 0.000 1.085 301 I CA 1.457 62.761 61.300 0.006 0.000 1.347 301 I CB -0.260 37.755 38.000 0.024 0.000 1.044 301 I HN 0.385 nan 8.210 nan 0.000 0.408 302 M N 0.596 120.197 119.600 0.002 0.000 2.108 302 M HA -0.250 4.230 4.480 -0.000 0.000 0.261 302 M C 2.242 178.542 176.300 -0.001 0.000 1.066 302 M CA 2.022 57.329 55.300 0.012 0.000 1.107 302 M CB -0.022 32.596 32.600 0.029 0.000 1.356 302 M HN 0.209 nan 8.290 nan 0.000 0.406 303 L N -0.400 120.804 121.223 -0.031 0.000 2.131 303 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 303 L C 2.545 179.411 176.870 -0.006 0.000 1.087 303 L CA 0.630 55.454 54.840 -0.026 0.000 0.767 303 L CB -0.580 41.427 42.059 -0.088 0.000 0.917 303 L HN 0.186 nan 8.230 nan 0.000 0.441 304 K N 0.277 120.671 120.400 -0.009 0.000 2.062 304 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 304 K C 1.689 178.296 176.600 0.011 0.000 1.051 304 K CA 1.093 57.386 56.287 0.008 0.000 0.941 304 K CB 0.040 32.547 32.500 0.011 0.000 0.719 304 K HN 0.191 nan 8.250 nan 0.000 0.440 305 K N -0.015 120.389 120.400 0.006 0.000 2.358 305 K HA 0.080 4.400 4.320 -0.000 0.000 0.200 305 K C 0.099 176.697 176.600 -0.004 0.000 1.030 305 K CA -0.049 56.239 56.287 0.003 0.000 1.097 305 K CB 0.778 33.282 32.500 0.006 0.000 0.862 305 K HN -0.043 nan 8.250 nan 0.000 0.534 306 S N 2.546 118.245 115.700 -0.002 0.000 3.791 306 S HA -0.138 4.331 4.470 -0.000 0.000 0.393 306 S C -0.541 174.055 174.600 -0.006 0.000 0.936 306 S CA 0.302 58.497 58.200 -0.008 0.000 1.234 306 S CB -1.182 62.001 63.200 -0.028 0.000 0.891 306 S HN 0.396 nan 8.310 nan 0.000 0.519 307 D N 1.338 121.745 120.400 0.011 0.000 2.393 307 D HA 0.259 4.899 4.640 -0.000 0.000 0.232 307 D C 1.312 177.633 176.300 0.035 0.000 1.192 307 D CA -0.463 53.550 54.000 0.022 0.000 0.882 307 D CB 0.308 41.125 40.800 0.029 0.000 1.038 307 D HN 0.418 nan 8.370 nan 0.000 0.499 308 N N 3.534 122.248 118.700 0.024 0.000 2.166 308 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 308 N C 1.578 177.136 175.510 0.079 0.000 1.019 308 N CA 0.760 53.825 53.050 0.026 0.000 0.856 308 N CB -0.143 38.326 38.487 -0.031 0.000 0.993 308 N HN 0.555 nan 8.380 nan 0.000 0.426 309 M N 0.374 120.017 119.600 0.073 0.000 2.156 309 M HA 0.006 4.486 4.480 -0.000 0.000 0.264 309 M C 1.803 178.169 176.300 0.109 0.000 1.067 309 M CA 1.154 56.515 55.300 0.102 0.000 1.131 309 M CB 0.055 32.695 32.600 0.066 0.000 1.368 309 M HN -0.022 nan 8.290 nan 0.000 0.416 310 I N 0.372 120.990 120.570 0.080 0.000 2.179 310 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 310 I C 2.624 178.843 176.117 0.170 0.000 1.088 310 I CA 1.266 62.623 61.300 0.095 0.000 1.357 310 I CB -0.722 37.327 38.000 0.082 0.000 1.051 310 I HN 0.390 nan 8.210 nan 0.000 0.409 311 A N 0.326 123.241 122.820 0.158 0.000 1.908 311 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 311 A C 1.970 179.722 177.584 0.279 0.000 1.181 311 A CA 2.189 54.343 52.037 0.194 0.000 0.627 311 A CB -0.499 18.587 19.000 0.142 0.000 0.818 311 A HN 0.367 nan 8.150 nan 0.000 0.445 312 D N -1.060 119.518 120.400 0.298 0.000 2.271 312 D HA -0.055 4.585 4.640 -0.000 0.000 0.206 312 D C 2.320 178.827 176.300 0.344 0.000 0.967 312 D CA 1.683 55.932 54.000 0.416 0.000 0.867 312 D CB -0.395 40.765 40.800 0.601 0.000 0.960 312 D HN 0.620 nan 8.370 nan 0.000 0.509 313 T N -0.903 113.840 114.554 0.315 0.000 2.746 313 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 313 T C 2.236 177.235 174.700 0.498 0.000 1.039 313 T CA 0.927 63.256 62.100 0.382 0.000 1.142 313 T CB -0.790 68.205 68.868 0.212 0.000 0.866 313 T HN -0.080 nan 8.240 nan 0.000 0.444 314 V N 1.018 121.211 119.914 0.466 0.000 2.287 314 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 314 V C 2.202 178.440 176.094 0.241 0.000 1.053 314 V CA 2.088 64.617 62.300 0.381 0.000 1.027 314 V CB -1.007 31.002 31.823 0.311 0.000 0.646 314 V HN 0.490 nan 8.190 nan 0.000 0.447 315 F N 1.019 121.037 119.950 0.112 0.000 2.095 315 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 315 F C 2.635 178.389 175.800 -0.077 0.000 1.104 315 F CA 1.895 59.924 58.000 0.049 0.000 1.232 315 F CB -0.239 38.845 39.000 0.139 0.000 0.987 315 F HN -0.058 nan 8.300 nan 0.000 0.475 316 R N -0.733 119.710 120.500 -0.094 0.000 2.148 316 R HA -0.141 4.199 4.340 -0.000 0.000 0.223 316 R C 2.095 178.285 176.300 -0.183 0.000 1.088 316 R CA 1.331 57.137 56.100 -0.490 0.000 0.985 316 R CB -0.441 29.104 30.300 -1.259 0.000 0.880 316 R HN 0.339 nan 8.270 nan 0.000 0.451 317 M N 0.921 120.594 119.600 0.123 0.000 2.159 317 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 317 M C 1.814 178.082 176.300 -0.053 0.000 1.063 317 M CA 1.582 56.988 55.300 0.177 0.000 1.110 317 M CB -0.121 32.547 32.600 0.113 0.000 1.374 317 M HN 0.037 nan 8.290 nan 0.000 0.411 318 I N -0.699 119.764 120.570 -0.177 0.000 2.163 318 I HA -0.259 3.910 4.170 -0.000 0.000 0.243 318 I C 2.365 178.298 176.117 -0.307 0.000 1.085 318 I CA 1.548 62.686 61.300 -0.270 0.000 1.347 318 I CB -1.243 36.584 38.000 -0.288 0.000 1.044 318 I HN 0.479 nan 8.210 nan 0.000 0.408 319 G N -0.439 108.178 108.800 -0.305 0.000 2.418 319 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.217 319 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.217 319 G C 1.492 176.332 174.900 -0.100 0.000 1.158 319 G CA 1.300 46.254 45.100 -0.243 0.000 0.771 319 G HN 0.462 nan 8.290 nan 0.000 0.545 320 H N 1.112 120.124 119.070 -0.097 0.000 2.321 320 H HA 0.156 4.712 4.556 -0.000 0.000 0.300 320 H C 2.604 177.906 175.328 -0.042 0.000 1.087 320 H CA 2.011 58.061 56.048 0.003 0.000 1.319 320 H CB -0.317 29.511 29.762 0.110 0.000 1.379 320 H HN 0.263 nan 8.280 nan 0.000 0.501 321 A N 0.513 123.195 122.820 -0.230 0.000 1.930 321 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 321 A C 2.474 179.876 177.584 -0.303 0.000 1.175 321 A CA 1.416 53.275 52.037 -0.297 0.000 0.627 321 A CB -0.570 18.298 19.000 -0.221 0.000 0.815 321 A HN 0.491 nan 8.150 nan 0.000 0.443 322 R N -2.006 118.254 120.500 -0.401 0.000 2.093 322 R HA -0.013 4.327 4.340 -0.000 0.000 0.224 322 R C 0.704 176.733 176.300 -0.452 0.000 1.101 322 R CA 1.362 57.135 56.100 -0.544 0.000 0.979 322 R CB -0.122 29.642 30.300 -0.894 0.000 0.877 322 R HN 0.466 nan 8.270 nan 0.000 0.441 323 F N 0.682 120.565 119.950 -0.112 0.000 2.678 323 F HA 0.291 4.818 4.527 -0.000 0.000 0.305 323 F C 0.083 175.828 175.800 -0.092 0.000 1.090 323 F CA -0.775 57.174 58.000 -0.085 0.000 1.272 323 F CB 0.093 39.054 39.000 -0.065 0.000 1.060 323 F HN -0.055 nan 8.300 nan 0.000 0.576 324 N N 1.330 120.016 118.700 -0.024 0.000 2.705 324 N HA -0.153 4.587 4.740 -0.000 0.000 0.255 324 N C -0.628 174.889 175.510 0.011 0.000 1.008 324 N CA 1.049 54.041 53.050 -0.096 0.000 0.742 324 N CB -1.534 36.919 38.487 -0.056 0.000 0.906 324 N HN 0.288 nan 8.380 nan 0.000 0.541 325 V N -4.344 115.616 119.914 0.077 0.000 3.078 325 V HA 0.771 4.891 4.120 -0.000 0.000 0.311 325 V C -2.555 173.727 176.094 0.315 0.000 1.138 325 V CA -2.392 60.002 62.300 0.157 0.000 1.007 325 V CB 2.422 34.319 31.823 0.123 0.000 1.045 325 V HN -0.203 nan 8.190 nan 0.000 0.432 326 P HA 0.231 nan 4.420 nan 0.000 0.264 326 P C 0.361 177.781 177.300 0.200 0.000 1.193 326 P CA 0.796 64.038 63.100 0.236 0.000 0.763 326 P CB 0.298 32.078 31.700 0.133 0.000 0.810 327 G N 2.526 111.467 108.800 0.235 0.000 2.365 327 G HA2 0.444 4.404 3.960 -0.000 0.000 0.249 327 G HA3 0.444 4.404 3.960 -0.000 0.000 0.249 327 G C -0.038 174.689 174.900 -0.288 0.000 1.288 327 G CA -0.017 45.082 45.100 -0.003 0.000 0.887 327 G HN 0.552 nan 8.290 nan 0.000 0.524 328 T N -0.893 113.495 114.554 -0.277 0.000 2.864 328 T HA 0.356 4.706 4.350 -0.000 0.000 0.289 328 T C 0.704 175.215 174.700 -0.315 0.000 1.082 328 T CA -0.961 60.949 62.100 -0.317 0.000 1.009 328 T CB 1.205 70.026 68.868 -0.079 0.000 1.234 328 T HN 0.502 nan 8.240 nan 0.000 0.526 329 W N 0.143 121.439 121.300 -0.006 0.000 2.381 329 W HA 0.123 4.782 4.660 -0.000 0.000 0.301 329 W C 2.972 179.586 176.519 0.159 0.000 1.205 329 W CA 0.686 58.108 57.345 0.129 0.000 1.285 329 W CB -0.143 29.336 29.460 0.031 0.000 1.133 329 W HN 0.676 nan 8.180 nan 0.000 0.521 330 R N 0.665 121.326 120.500 0.268 0.000 2.075 330 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 330 R C 2.257 178.633 176.300 0.127 0.000 1.126 330 R CA 1.625 57.835 56.100 0.184 0.000 0.963 330 R CB -0.552 29.817 30.300 0.116 0.000 0.858 330 R HN 0.103 nan 8.270 nan 0.000 0.435 331 A N 0.133 123.004 122.820 0.085 0.000 1.933 331 A HA -0.047 4.272 4.320 -0.000 0.000 0.218 331 A C 2.294 179.918 177.584 0.066 0.000 1.175 331 A CA 1.611 53.735 52.037 0.144 0.000 0.628 331 A CB -1.130 17.965 19.000 0.157 0.000 0.814 331 A HN 0.573 nan 8.150 nan 0.000 0.444 332 G N -0.767 107.931 108.800 -0.170 0.000 2.421 332 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 332 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 332 G C 1.850 176.424 174.900 -0.543 0.000 1.171 332 G CA 1.285 45.960 45.100 -0.710 0.000 0.775 332 G HN 0.473 nan 8.290 nan 0.000 0.543 333 S N 0.744 116.452 115.700 0.014 0.000 2.356 333 S HA -0.109 4.361 4.470 -0.000 0.000 0.223 333 S C 2.079 176.764 174.600 0.142 0.000 1.032 333 S CA 1.474 59.832 58.200 0.263 0.000 1.005 333 S CB -0.298 63.102 63.200 0.333 0.000 0.867 333 S HN 0.358 nan 8.310 nan 0.000 0.449 334 D N 1.583 122.072 120.400 0.149 0.000 2.117 334 D HA -0.016 4.624 4.640 -0.000 0.000 0.197 334 D C 2.142 178.578 176.300 0.227 0.000 0.987 334 D CA 1.241 55.354 54.000 0.188 0.000 0.829 334 D CB -0.535 40.377 40.800 0.188 0.000 0.961 334 D HN 0.373 nan 8.370 nan 0.000 0.460 335 A N 0.598 123.522 122.820 0.172 0.000 1.877 335 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 335 A C 2.550 180.064 177.584 -0.117 0.000 1.186 335 A CA 1.427 53.380 52.037 -0.140 0.000 0.620 335 A CB -0.839 17.887 19.000 -0.456 0.000 0.822 335 A HN 0.148 nan 8.150 nan 0.000 0.443 336 V N 0.169 120.025 119.914 -0.098 0.000 2.343 336 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 336 V C 2.669 178.771 176.094 0.014 0.000 1.051 336 V CA 2.322 64.604 62.300 -0.030 0.000 1.036 336 V CB -0.848 31.015 31.823 0.067 0.000 0.654 336 V HN 0.691 nan 8.190 nan 0.000 0.451 337 R N -0.239 120.291 120.500 0.050 0.000 2.091 337 R HA -0.217 4.123 4.340 -0.000 0.000 0.238 337 R C 2.373 178.686 176.300 0.023 0.000 1.136 337 R CA 1.969 58.098 56.100 0.049 0.000 0.959 337 R CB -0.229 30.114 30.300 0.071 0.000 0.856 337 R HN 0.589 nan 8.270 nan 0.000 0.437 338 Q N 0.073 119.892 119.800 0.031 0.000 2.079 338 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 338 Q C 2.266 178.247 176.000 -0.031 0.000 0.974 338 Q CA 1.732 57.548 55.803 0.021 0.000 0.840 338 Q CB -0.072 28.707 28.738 0.067 0.000 0.898 338 Q HN 0.441 nan 8.270 nan 0.000 0.430 339 I N 0.670 121.201 120.570 -0.064 0.000 2.179 339 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 339 I C 2.223 178.271 176.117 -0.114 0.000 1.088 339 I CA 1.110 62.351 61.300 -0.098 0.000 1.357 339 I CB -0.280 37.652 38.000 -0.113 0.000 1.051 339 I HN 0.192 nan 8.210 nan 0.000 0.409 340 L N 0.158 121.324 121.223 -0.094 0.000 2.042 340 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 340 L C 2.763 179.562 176.870 -0.118 0.000 1.076 340 L CA 1.276 56.042 54.840 -0.123 0.000 0.749 340 L CB -0.542 41.478 42.059 -0.065 0.000 0.893 340 L HN 0.226 nan 8.230 nan 0.000 0.432 341 R N 0.246 120.707 120.500 -0.065 0.000 2.062 341 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 341 R C 2.198 178.467 176.300 -0.051 0.000 1.128 341 R CA 1.613 57.687 56.100 -0.043 0.000 0.960 341 R CB -0.227 30.065 30.300 -0.013 0.000 0.855 341 R HN 0.379 nan 8.270 nan 0.000 0.432 342 Q N -1.130 118.638 119.800 -0.053 0.000 2.204 342 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 342 Q C 1.807 177.771 176.000 -0.060 0.000 0.946 342 Q CA 1.071 56.849 55.803 -0.041 0.000 0.859 342 Q CB 0.296 29.017 28.738 -0.028 0.000 0.946 342 Q HN 0.243 nan 8.270 nan 0.000 0.474 343 Q N -0.688 119.048 119.800 -0.107 0.000 2.394 343 Q HA 0.208 4.548 4.340 -0.000 0.000 0.218 343 Q C 1.168 177.014 176.000 -0.256 0.000 0.907 343 Q CA 0.998 56.723 55.803 -0.130 0.000 0.919 343 Q CB 0.601 29.262 28.738 -0.128 0.000 1.051 343 Q HN 0.293 nan 8.270 nan 0.000 0.538 344 A N -0.929 121.650 122.820 -0.402 0.000 2.303 344 A HA 0.514 4.834 4.320 -0.000 0.000 0.217 344 A C 1.312 178.686 177.584 -0.351 0.000 1.205 344 A CA 0.537 52.069 52.037 -0.841 0.000 0.875 344 A CB -0.084 18.281 19.000 -1.057 0.000 0.910 344 A HN 0.326 nan 8.150 nan 0.000 0.501 345 G N -0.953 107.761 108.800 -0.144 0.000 2.153 345 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.252 345 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.252 345 G C 0.052 174.941 174.900 -0.018 0.000 0.994 345 G CA 0.318 45.403 45.100 -0.026 0.000 0.698 345 G HN 0.914 nan 8.290 nan 0.000 0.521 346 V N 1.056 120.935 119.914 -0.060 0.000 2.328 346 V HA 0.439 4.559 4.120 -0.000 0.000 0.278 346 V C -0.052 176.032 176.094 -0.017 0.000 1.021 346 V CA -0.754 61.529 62.300 -0.029 0.000 0.838 346 V CB 1.700 33.497 31.823 -0.044 0.000 0.999 346 V HN 0.346 nan 8.190 nan 0.000 0.447 347 D N 4.727 125.128 120.400 0.002 0.000 2.365 347 D HA 0.185 4.825 4.640 -0.000 0.000 0.237 347 D C 1.112 177.423 176.300 0.018 0.000 1.190 347 D CA -0.426 53.580 54.000 0.010 0.000 0.867 347 D CB 1.069 41.877 40.800 0.014 0.000 1.050 347 D HN 0.606 nan 8.370 nan 0.000 0.491 348 I N 1.281 121.865 120.570 0.022 0.000 3.564 348 I HA 0.265 4.435 4.170 -0.000 0.000 0.294 348 I C 1.319 177.457 176.117 0.035 0.000 1.289 348 I CA 0.020 61.340 61.300 0.033 0.000 1.325 348 I CB -0.482 37.543 38.000 0.042 0.000 1.039 348 I HN 0.458 nan 8.210 nan 0.000 0.474 349 G N 3.871 112.688 108.800 0.029 0.000 2.629 349 G HA2 -0.457 3.503 3.960 -0.000 0.000 0.313 349 G HA3 -0.457 3.503 3.960 -0.000 0.000 0.313 349 G C 0.605 175.522 174.900 0.029 0.000 1.217 349 G CA 0.770 45.886 45.100 0.027 0.000 0.994 349 G HN 0.711 nan 8.290 nan 0.000 0.549 350 N N 1.321 120.038 118.700 0.028 0.000 2.370 350 N HA 0.134 4.874 4.740 -0.000 0.000 0.198 350 N C 0.714 176.244 175.510 0.032 0.000 1.156 350 N CA 1.255 54.321 53.050 0.026 0.000 0.839 350 N CB -0.490 38.008 38.487 0.018 0.000 0.989 350 N HN 0.609 nan 8.380 nan 0.000 0.468 351 T N 1.913 116.493 114.554 0.042 0.000 2.946 351 T HA 0.098 4.448 4.350 -0.000 0.000 0.312 351 T C 0.507 175.240 174.700 0.055 0.000 1.066 351 T CA 0.284 62.415 62.100 0.053 0.000 1.138 351 T CB 0.569 69.475 68.868 0.063 0.000 1.014 351 T HN 0.160 nan 8.240 nan 0.000 0.544 352 I N 3.776 124.380 120.570 0.056 0.000 2.354 352 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 352 I C -0.121 176.048 176.117 0.086 0.000 0.989 352 I CA -0.569 60.770 61.300 0.066 0.000 1.188 352 I CB 1.238 39.268 38.000 0.050 0.000 1.342 352 I HN 0.445 nan 8.210 nan 0.000 0.457 353 I N 5.494 126.135 120.570 0.119 0.000 2.382 353 I HA 0.377 4.547 4.170 -0.000 0.000 0.286 353 I C 0.756 176.976 176.117 0.171 0.000 1.002 353 I CA -0.052 61.337 61.300 0.149 0.000 1.135 353 I CB 1.945 40.075 38.000 0.218 0.000 1.288 353 I HN 0.726 nan 8.210 nan 0.000 0.448 354 A N 4.369 127.236 122.820 0.079 0.000 2.167 354 A HA 0.234 4.554 4.320 -0.000 0.000 0.208 354 A C 0.184 177.690 177.584 -0.130 0.000 1.198 354 A CA 0.559 52.617 52.037 0.035 0.000 0.863 354 A CB 0.018 19.015 19.000 -0.004 0.000 0.904 354 A HN 0.767 nan 8.150 nan 0.000 0.484 355 D N -4.471 115.702 120.400 -0.378 0.000 2.768 355 D HA 0.406 5.046 4.640 -0.000 0.000 0.327 355 D C 0.760 176.396 176.300 -1.106 0.000 1.302 355 D CA 0.245 53.750 54.000 -0.825 0.000 0.897 355 D CB 0.382 41.044 40.800 -0.230 0.000 1.420 355 D HN -0.057 nan 8.370 nan 0.000 0.494 356 G N -1.184 107.147 108.800 -0.781 0.000 2.656 356 G HA2 0.040 4.000 3.960 -0.000 0.000 0.211 356 G HA3 0.040 4.000 3.960 -0.000 0.000 0.211 356 G C 1.096 176.009 174.900 0.022 0.000 1.137 356 G CA 0.768 45.774 45.100 -0.156 0.000 0.802 356 G HN 0.570 nan 8.290 nan 0.000 0.527 357 S N -0.650 115.066 115.700 0.027 0.000 2.478 357 S HA 0.337 4.807 4.470 -0.000 0.000 0.222 357 S C 1.952 176.539 174.600 -0.021 0.000 1.008 357 S CA 1.146 59.362 58.200 0.025 0.000 0.928 357 S CB -0.006 63.201 63.200 0.012 0.000 0.781 357 S HN 1.433 nan 8.310 nan 0.000 0.518 358 G N 1.228 110.009 108.800 -0.032 0.000 2.159 358 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.256 358 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.256 358 G C 0.568 175.416 174.900 -0.086 0.000 0.977 358 G CA 0.441 45.511 45.100 -0.050 0.000 0.652 358 G HN 0.499 nan 8.290 nan 0.000 0.531 359 L N 0.702 121.847 121.223 -0.130 0.000 2.131 359 L HA 0.072 4.412 4.340 -0.000 0.000 0.210 359 L C 2.122 178.918 176.870 -0.124 0.000 1.092 359 L CA 1.265 55.943 54.840 -0.270 0.000 0.759 359 L CB -0.302 41.297 42.059 -0.766 0.000 0.903 359 L HN 0.419 nan 8.230 nan 0.000 0.435 360 S N -0.060 115.690 115.700 0.082 0.000 2.533 360 S HA 0.048 4.518 4.470 -0.000 0.000 0.282 360 S C 1.274 175.873 174.600 -0.003 0.000 1.304 360 S CA -0.638 57.634 58.200 0.119 0.000 1.063 360 S CB 0.598 63.808 63.200 0.017 0.000 0.881 360 S HN 0.151 nan 8.310 nan 0.000 0.493 361 R N 3.164 123.649 120.500 -0.025 0.000 2.323 361 R HA 0.024 4.364 4.340 -0.000 0.000 0.198 361 R C 1.147 177.535 176.300 0.147 0.000 0.988 361 R CA 0.816 56.932 56.100 0.027 0.000 1.041 361 R CB -0.700 29.622 30.300 0.037 0.000 0.926 361 R HN 0.792 nan 8.270 nan 0.000 0.476 362 H N -0.280 118.782 119.070 -0.014 0.000 2.512 362 H HA 0.087 4.643 4.556 -0.000 0.000 0.279 362 H C 0.076 175.393 175.328 -0.018 0.000 0.999 362 H CA -0.417 55.619 56.048 -0.020 0.000 1.283 362 H CB 0.196 29.939 29.762 -0.030 0.000 1.421 362 H HN 0.219 nan 8.280 nan 0.000 0.554 363 N N 1.681 120.437 118.700 0.094 0.000 2.412 363 N HA 0.132 4.872 4.740 -0.000 0.000 0.254 363 N C -1.057 174.463 175.510 0.016 0.000 1.232 363 N CA 0.324 53.398 53.050 0.041 0.000 0.880 363 N CB 0.882 39.370 38.487 0.001 0.000 1.076 363 N HN 0.151 nan 8.380 nan 0.000 0.458 364 L N 3.253 124.489 121.223 0.021 0.000 2.516 364 L HA 0.566 4.906 4.340 -0.000 0.000 0.267 364 L C -1.316 175.576 176.870 0.038 0.000 0.957 364 L CA -0.461 54.385 54.840 0.011 0.000 0.860 364 L CB 1.607 43.676 42.059 0.015 0.000 1.265 364 L HN 0.569 nan 8.230 nan 0.000 0.403 365 I N 2.349 122.950 120.570 0.052 0.000 2.787 365 I HA 0.615 4.785 4.170 -0.000 0.000 0.294 365 I C -0.719 175.518 176.117 0.200 0.000 1.365 365 I CA -0.342 61.029 61.300 0.118 0.000 1.029 365 I CB 2.196 40.281 38.000 0.143 0.000 1.313 365 I HN 0.664 nan 8.210 nan 0.000 0.431 366 A N 7.388 130.310 122.820 0.171 0.000 2.316 366 A HA 0.602 4.922 4.320 -0.000 0.000 0.284 366 A C -2.156 175.525 177.584 0.161 0.000 1.115 366 A CA -1.374 50.767 52.037 0.173 0.000 0.812 366 A CB 0.267 19.326 19.000 0.099 0.000 1.064 366 A HN 0.611 nan 8.150 nan 0.000 0.489 367 P HA -0.257 nan 4.420 nan 0.000 0.216 367 P C 1.623 178.896 177.300 -0.045 0.000 1.154 367 P CA 2.616 65.648 63.100 -0.114 0.000 0.865 367 P CB 0.143 31.786 31.700 -0.095 0.000 0.789 368 A N -1.387 121.441 122.820 0.014 0.000 1.972 368 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 368 A C 2.169 179.766 177.584 0.022 0.000 1.169 368 A CA 2.315 54.364 52.037 0.019 0.000 0.635 368 A CB -1.722 17.298 19.000 0.033 0.000 0.810 368 A HN 0.189 nan 8.150 nan 0.000 0.446 369 T N -0.699 113.877 114.554 0.037 0.000 2.809 369 T HA -0.103 4.247 4.350 -0.000 0.000 0.260 369 T C 1.914 176.632 174.700 0.030 0.000 1.039 369 T CA 1.671 63.796 62.100 0.041 0.000 1.141 369 T CB -0.262 68.643 68.868 0.061 0.000 0.869 369 T HN 0.416 nan 8.240 nan 0.000 0.437 370 M N 1.318 120.934 119.600 0.027 0.000 2.202 370 M HA 0.005 4.485 4.480 -0.000 0.000 0.262 370 M C 2.082 178.350 176.300 -0.052 0.000 1.063 370 M CA 1.418 56.714 55.300 -0.007 0.000 1.097 370 M CB -0.591 31.987 32.600 -0.036 0.000 1.382 370 M HN 0.189 nan 8.290 nan 0.000 0.413 371 M N 0.066 119.633 119.600 -0.055 0.000 2.159 371 M HA -0.207 4.273 4.480 -0.000 0.000 0.263 371 M C 1.870 178.173 176.300 0.005 0.000 1.063 371 M CA 1.942 57.215 55.300 -0.046 0.000 1.110 371 M CB -0.551 32.035 32.600 -0.023 0.000 1.374 371 M HN 0.463 nan 8.290 nan 0.000 0.411 372 Q N -1.061 118.754 119.800 0.025 0.000 2.124 372 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 372 Q C 2.045 178.091 176.000 0.076 0.000 0.977 372 Q CA 1.819 57.655 55.803 0.055 0.000 0.850 372 Q CB -0.366 28.400 28.738 0.047 0.000 0.901 372 Q HN 0.449 nan 8.270 nan 0.000 0.429 373 V N 1.207 121.145 119.914 0.040 0.000 2.261 373 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 373 V C 2.208 178.338 176.094 0.060 0.000 1.047 373 V CA 1.669 63.990 62.300 0.035 0.000 1.015 373 V CB -0.575 31.248 31.823 0.001 0.000 0.642 373 V HN 0.353 nan 8.190 nan 0.000 0.446 374 L N -0.437 120.793 121.223 0.012 0.000 2.042 374 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 374 L C 2.799 179.812 176.870 0.239 0.000 1.076 374 L CA 1.432 56.302 54.840 0.050 0.000 0.749 374 L CB -0.704 41.210 42.059 -0.241 0.000 0.893 374 L HN 0.365 nan 8.230 nan 0.000 0.432 375 Q N -0.855 119.045 119.800 0.166 0.000 2.084 375 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 375 Q C 2.097 178.195 176.000 0.164 0.000 0.978 375 Q CA 1.736 57.642 55.803 0.172 0.000 0.844 375 Q CB -0.478 28.335 28.738 0.125 0.000 0.898 375 Q HN 0.527 nan 8.270 nan 0.000 0.426 376 Y N 1.189 121.537 120.300 0.079 0.000 2.128 376 Y HA -0.221 4.329 4.550 0.000 0.000 0.284 376 Y C 2.147 178.116 175.900 0.114 0.000 1.154 376 Y CA 1.431 59.596 58.100 0.107 0.000 1.149 376 Y CB -0.285 38.191 38.460 0.026 0.000 0.976 376 Y HN -0.012 nan 8.280 nan 0.000 0.505 377 I N -0.029 120.626 120.570 0.142 0.000 2.163 377 I HA -0.368 3.802 4.170 -0.000 0.000 0.243 377 I C 2.673 178.733 176.117 -0.095 0.000 1.085 377 I CA 1.319 62.592 61.300 -0.045 0.000 1.347 377 I CB -0.744 37.105 38.000 -0.251 0.000 1.044 377 I HN 0.352 nan 8.210 nan 0.000 0.408 378 A N 0.017 122.795 122.820 -0.071 0.000 1.902 378 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 378 A C 2.299 179.779 177.584 -0.173 0.000 1.181 378 A CA 2.043 53.947 52.037 -0.222 0.000 0.623 378 A CB -0.785 18.118 19.000 -0.162 0.000 0.818 378 A HN 0.526 nan 8.150 nan 0.000 0.443 379 Q N -1.237 118.470 119.800 -0.155 0.000 2.170 379 Q HA -0.214 4.126 4.340 -0.000 0.000 0.203 379 Q C 0.841 176.576 176.000 -0.441 0.000 0.976 379 Q CA 1.871 57.511 55.803 -0.271 0.000 0.858 379 Q CB -0.118 28.459 28.738 -0.268 0.000 0.907 379 Q HN 0.834 nan 8.270 nan 0.000 0.433 380 H N -0.757 118.115 119.070 -0.331 0.000 2.505 380 H HA 0.126 4.682 4.556 0.000 0.000 0.286 380 H C 0.264 175.514 175.328 -0.130 0.000 1.072 380 H CA 0.152 56.040 56.048 -0.267 0.000 1.141 380 H CB 0.494 30.000 29.762 -0.426 0.000 1.550 380 H HN 0.334 nan 8.280 nan 0.000 0.547 381 D N 0.591 120.959 120.400 -0.054 0.000 2.182 381 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 381 D C 1.349 177.661 176.300 0.021 0.000 0.986 381 D CA 1.282 55.278 54.000 -0.006 0.000 0.847 381 D CB 0.045 40.799 40.800 -0.077 0.000 0.942 381 D HN 0.444 nan 8.370 nan 0.000 0.467 382 N N -0.553 118.136 118.700 -0.018 0.000 2.381 382 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 382 N C 1.368 176.890 175.510 0.021 0.000 1.025 382 N CA 0.593 53.639 53.050 -0.007 0.000 0.888 382 N CB 0.114 38.581 38.487 -0.032 0.000 0.965 382 N HN 0.351 nan 8.380 nan 0.000 0.438 383 E N 0.606 120.834 120.200 0.047 0.000 2.060 383 E HA 0.005 4.355 4.350 -0.000 0.000 0.189 383 E C 1.717 178.382 176.600 0.108 0.000 0.974 383 E CA 0.637 57.083 56.400 0.077 0.000 0.808 383 E CB 0.126 29.895 29.700 0.115 0.000 0.768 383 E HN 0.278 nan 8.360 nan 0.000 0.453 384 L N 0.619 121.935 121.223 0.156 0.000 2.270 384 L HA 0.019 4.359 4.340 -0.000 0.000 0.210 384 L C 0.777 177.814 176.870 0.279 0.000 1.104 384 L CA 0.123 55.107 54.840 0.240 0.000 0.804 384 L CB -0.391 41.862 42.059 0.324 0.000 0.937 384 L HN 0.257 nan 8.230 nan 0.000 0.450 385 N N -0.661 118.163 118.700 0.205 0.000 2.688 385 N HA -0.297 4.443 4.740 -0.000 0.000 0.258 385 N C 0.545 176.262 175.510 0.345 0.000 1.016 385 N CA 0.047 53.221 53.050 0.207 0.000 0.747 385 N CB -0.653 37.886 38.487 0.087 0.000 0.895 385 N HN 0.342 nan 8.380 nan 0.000 0.543 386 F N 0.630 120.663 119.950 0.139 0.000 2.343 386 F HA 0.277 4.804 4.527 -0.000 0.000 0.286 386 F C 2.053 177.904 175.800 0.084 0.000 1.057 386 F CA 0.311 58.381 58.000 0.116 0.000 1.365 386 F CB 0.058 39.127 39.000 0.114 0.000 1.114 386 F HN 0.205 nan 8.300 nan 0.000 0.545 387 I N 0.415 121.207 120.570 0.370 0.000 2.361 387 I HA -0.297 3.873 4.170 -0.000 0.000 0.251 387 I C 2.418 178.623 176.117 0.147 0.000 1.133 387 I CA 1.446 62.897 61.300 0.251 0.000 1.413 387 I CB -0.661 37.337 38.000 -0.003 0.000 1.073 387 I HN 0.254 nan 8.210 nan 0.000 0.424 388 S N 0.729 116.488 115.700 0.099 0.000 2.469 388 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 388 S C 1.867 176.490 174.600 0.038 0.000 0.998 388 S CA 0.944 59.180 58.200 0.059 0.000 0.957 388 S CB -0.375 62.863 63.200 0.063 0.000 0.764 388 S HN 0.445 nan 8.310 nan 0.000 0.514 389 M N 0.605 120.202 119.600 -0.004 0.000 2.447 389 M HA 0.273 4.753 4.480 -0.000 0.000 0.264 389 M C 0.235 176.505 176.300 -0.050 0.000 1.095 389 M CA 0.367 55.612 55.300 -0.092 0.000 1.125 389 M CB -0.338 32.071 32.600 -0.318 0.000 1.389 389 M HN 0.264 nan 8.290 nan 0.000 0.459 390 L N 1.450 122.691 121.223 0.030 0.000 2.439 390 L HA 0.182 4.522 4.340 -0.000 0.000 0.269 390 L C -2.052 174.860 176.870 0.071 0.000 1.179 390 L CA -2.004 52.884 54.840 0.081 0.000 0.828 390 L CB -0.254 41.918 42.059 0.188 0.000 1.106 390 L HN -0.220 nan 8.230 nan 0.000 0.467 391 P HA -0.048 nan 4.420 nan 0.000 0.262 391 P C -0.780 176.574 177.300 0.089 0.000 1.182 391 P CA -0.030 63.112 63.100 0.070 0.000 0.761 391 P CB 0.416 32.153 31.700 0.061 0.000 0.795 392 L N 3.945 125.226 121.223 0.096 0.000 2.272 392 L HA 0.567 4.907 4.340 -0.000 0.000 0.289 392 L C -0.056 176.928 176.870 0.191 0.000 1.032 392 L CA -0.820 54.084 54.840 0.106 0.000 0.810 392 L CB 0.509 42.569 42.059 0.001 0.000 1.205 392 L HN 0.391 nan 8.230 nan 0.000 0.422 393 A N 4.021 126.938 122.820 0.162 0.000 2.548 393 A HA 0.444 4.764 4.320 -0.000 0.000 0.247 393 A C 1.377 179.106 177.584 0.240 0.000 1.067 393 A CA 0.630 52.753 52.037 0.144 0.000 0.757 393 A CB -0.735 18.305 19.000 0.068 0.000 0.996 393 A HN 1.920 nan 8.150 nan 0.000 0.504 394 G N 1.016 109.904 108.800 0.148 0.000 2.176 394 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.253 394 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.253 394 G C 0.418 175.215 174.900 -0.172 0.000 0.979 394 G CA 1.129 46.243 45.100 0.025 0.000 0.641 394 G HN 0.865 nan 8.290 nan 0.000 0.530 395 Y N 0.913 121.235 120.300 0.037 0.000 2.769 395 Y HA 0.416 4.966 4.550 -0.000 0.000 0.266 395 Y C 1.133 177.048 175.900 0.025 0.000 1.091 395 Y CA 0.812 58.929 58.100 0.029 0.000 1.272 395 Y CB 0.633 39.111 38.460 0.031 0.000 1.469 395 Y HN 0.470 nan 8.280 nan 0.000 0.475 396 D N -2.071 118.451 120.400 0.202 0.000 2.639 396 D HA 0.476 5.116 4.640 -0.000 0.000 0.271 396 D C 0.456 176.807 176.300 0.085 0.000 1.254 396 D CA -0.150 53.922 54.000 0.120 0.000 0.810 396 D CB 0.939 41.806 40.800 0.113 0.000 1.351 396 D HN 0.403 nan 8.370 nan 0.000 0.427 397 G N -0.177 108.658 108.800 0.058 0.000 2.578 397 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.275 397 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.275 397 G C 0.918 175.840 174.900 0.036 0.000 1.271 397 G CA 0.469 45.593 45.100 0.040 0.000 0.941 397 G HN 0.926 nan 8.290 nan 0.000 0.564 398 S N -0.163 115.553 115.700 0.026 0.000 2.469 398 S HA 0.026 4.496 4.470 -0.000 0.000 0.238 398 S C 1.964 176.573 174.600 0.016 0.000 0.998 398 S CA 1.583 59.793 58.200 0.015 0.000 0.957 398 S CB -0.138 63.068 63.200 0.010 0.000 0.764 398 S HN 0.495 nan 8.310 nan 0.000 0.514 399 L N 0.811 122.054 121.223 0.032 0.000 2.769 399 L HA 0.241 4.581 4.340 -0.000 0.000 0.240 399 L C 2.083 178.981 176.870 0.047 0.000 1.163 399 L CA -0.010 54.845 54.840 0.024 0.000 0.962 399 L CB -0.201 41.880 42.059 0.037 0.000 1.258 399 L HN 0.255 nan 8.230 nan 0.000 0.513 400 Q N 0.953 120.790 119.800 0.062 0.000 2.112 400 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 400 Q C 0.232 176.298 176.000 0.110 0.000 0.987 400 Q CA 1.812 57.661 55.803 0.076 0.000 0.858 400 Q CB 0.180 28.954 28.738 0.060 0.000 0.905 400 Q HN 0.430 nan 8.270 nan 0.000 0.420 401 Y N 0.287 120.559 120.300 -0.047 0.000 2.592 401 Y HA 0.399 4.949 4.550 -0.000 0.000 0.354 401 Y C -1.419 174.454 175.900 -0.045 0.000 1.063 401 Y CA -1.224 56.833 58.100 -0.071 0.000 1.205 401 Y CB 0.341 38.739 38.460 -0.103 0.000 1.106 401 Y HN -0.117 nan 8.280 nan 0.000 0.649 402 R N 2.920 123.233 120.500 -0.313 0.000 2.220 402 R HA 0.535 4.875 4.340 -0.000 0.000 0.340 402 R C 1.025 177.003 176.300 -0.537 0.000 1.076 402 R CA 0.787 56.667 56.100 -0.366 0.000 0.920 402 R CB 0.479 30.670 30.300 -0.181 0.000 1.062 402 R HN 0.698 nan 8.270 nan 0.000 0.469 403 A N 3.809 126.146 122.820 -0.804 0.000 1.892 403 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 403 A C 2.014 179.465 177.584 -0.222 0.000 1.188 403 A CA 1.939 53.585 52.037 -0.651 0.000 0.631 403 A CB -1.156 17.582 19.000 -0.437 0.000 0.822 403 A HN 0.833 nan 8.150 nan 0.000 0.447 404 G N -0.445 108.246 108.800 -0.181 0.000 2.422 404 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 404 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 404 G C 1.545 176.382 174.900 -0.106 0.000 1.146 404 G CA 1.055 46.091 45.100 -0.106 0.000 0.769 404 G HN 0.451 nan 8.290 nan 0.000 0.547 405 L N -0.613 120.527 121.223 -0.138 0.000 2.072 405 L HA -0.006 4.334 4.340 -0.000 0.000 0.205 405 L C 2.604 179.423 176.870 -0.085 0.000 1.079 405 L CA 1.334 56.088 54.840 -0.144 0.000 0.752 405 L CB -0.615 41.337 42.059 -0.178 0.000 0.906 405 L HN 0.282 nan 8.230 nan 0.000 0.436 406 H N 0.690 119.686 119.070 -0.123 0.000 2.319 406 H HA -0.211 4.345 4.556 -0.000 0.000 0.299 406 H C 2.252 177.550 175.328 -0.049 0.000 1.092 406 H CA 1.981 57.999 56.048 -0.050 0.000 1.302 406 H CB 0.019 29.814 29.762 0.055 0.000 1.373 406 H HN 0.291 nan 8.280 nan 0.000 0.497 407 Q N -0.598 119.122 119.800 -0.133 0.000 2.291 407 Q HA 0.030 4.370 4.340 -0.000 0.000 0.205 407 Q C 2.164 178.055 176.000 -0.181 0.000 0.970 407 Q CA 0.747 56.448 55.803 -0.170 0.000 0.876 407 Q CB 0.126 28.834 28.738 -0.051 0.000 0.935 407 Q HN 0.605 nan 8.270 nan 0.000 0.455 408 A N 0.275 122.995 122.820 -0.166 0.000 2.206 408 A HA 0.221 4.541 4.320 -0.000 0.000 0.211 408 A C 1.563 179.027 177.584 -0.201 0.000 1.158 408 A CA 0.786 52.730 52.037 -0.154 0.000 0.761 408 A CB -0.402 18.536 19.000 -0.103 0.000 0.801 408 A HN 0.443 nan 8.150 nan 0.000 0.473 409 G N -1.307 107.338 108.800 -0.259 0.000 2.143 409 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 409 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 409 G C 0.750 175.428 174.900 -0.371 0.000 0.991 409 G CA 0.868 45.789 45.100 -0.298 0.000 0.689 409 G HN 1.655 nan 8.290 nan 0.000 0.522 410 V N -2.670 117.069 119.914 -0.292 0.000 3.376 410 V HA 0.377 4.497 4.120 -0.000 0.000 0.313 410 V C 0.407 176.433 176.094 -0.113 0.000 1.393 410 V CA -0.222 61.906 62.300 -0.287 0.000 1.125 410 V CB 0.239 31.931 31.823 -0.218 0.000 1.037 410 V HN 0.097 nan 8.190 nan 0.000 0.440 411 D N 2.450 122.821 120.400 -0.049 0.000 2.488 411 D HA 0.395 5.035 4.640 -0.000 0.000 0.238 411 D C 1.536 177.922 176.300 0.145 0.000 1.138 411 D CA 2.039 56.087 54.000 0.080 0.000 0.873 411 D CB 0.952 41.822 40.800 0.116 0.000 1.183 411 D HN 0.609 nan 8.370 nan 0.000 0.458 412 G N 2.292 111.258 108.800 0.277 0.000 2.184 412 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.264 412 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.264 412 G C 1.106 176.064 174.900 0.097 0.000 0.975 412 G CA 0.245 45.489 45.100 0.240 0.000 0.642 412 G HN 0.453 nan 8.290 nan 0.000 0.536 413 K N -0.580 119.870 120.400 0.084 0.000 2.402 413 K HA 0.460 4.780 4.320 -0.000 0.000 0.203 413 K C 0.394 177.074 176.600 0.133 0.000 1.077 413 K CA 0.273 56.620 56.287 0.101 0.000 1.051 413 K CB 1.519 34.066 32.500 0.078 0.000 0.907 413 K HN 0.358 nan 8.250 nan 0.000 0.554 414 V N 1.611 121.595 119.914 0.116 0.000 2.444 414 V HA 0.310 4.430 4.120 -0.000 0.000 0.294 414 V C -0.552 175.646 176.094 0.174 0.000 1.022 414 V CA -0.685 61.713 62.300 0.164 0.000 0.850 414 V CB 1.906 33.772 31.823 0.070 0.000 0.992 414 V HN -0.039 nan 8.190 nan 0.000 0.426 415 S N 3.952 119.795 115.700 0.239 0.000 2.566 415 S HA 0.869 5.339 4.470 -0.000 0.000 0.324 415 S C -0.118 174.615 174.600 0.221 0.000 1.081 415 S CA -0.339 57.991 58.200 0.217 0.000 1.105 415 S CB 1.381 64.726 63.200 0.242 0.000 0.981 415 S HN 1.092 nan 8.310 nan 0.000 0.464 416 A N 2.852 125.754 122.820 0.138 0.000 2.594 416 A HA 0.797 5.117 4.320 -0.000 0.000 0.295 416 A C -1.297 176.314 177.584 0.045 0.000 1.071 416 A CA -0.909 51.152 52.037 0.040 0.000 0.685 416 A CB 1.330 20.358 19.000 0.048 0.000 1.285 416 A HN 0.464 nan 8.150 nan 0.000 0.405 417 K N 1.208 121.614 120.400 0.011 0.000 2.211 417 K HA 0.579 4.899 4.320 -0.000 0.000 0.275 417 K C 0.316 176.939 176.600 0.039 0.000 1.024 417 K CA 0.255 56.565 56.287 0.038 0.000 0.887 417 K CB 0.701 33.236 32.500 0.058 0.000 1.084 417 K HN 0.869 nan 8.250 nan 0.000 0.463 418 T N 0.256 114.836 114.554 0.043 0.000 2.868 418 T HA 0.630 4.980 4.350 -0.000 0.000 0.292 418 T C 0.422 175.147 174.700 0.042 0.000 1.028 418 T CA -0.712 61.419 62.100 0.052 0.000 1.059 418 T CB 1.383 70.271 68.868 0.034 0.000 0.991 418 T HN 0.554 nan 8.240 nan 0.000 0.531 419 G N 0.626 109.455 108.800 0.048 0.000 2.704 419 G HA2 0.528 4.488 3.960 -0.000 0.000 0.279 419 G HA3 0.528 4.488 3.960 -0.000 0.000 0.279 419 G C -1.010 173.859 174.900 -0.051 0.000 1.510 419 G CA -0.747 44.350 45.100 -0.004 0.000 1.144 419 G HN 0.767 nan 8.290 nan 0.000 0.564 420 S N 1.479 117.112 115.700 -0.110 0.000 2.532 420 S HA 0.810 5.280 4.470 -0.000 0.000 0.299 420 S C -0.351 174.087 174.600 -0.270 0.000 1.105 420 S CA -0.558 57.512 58.200 -0.217 0.000 1.018 420 S CB 1.691 64.795 63.200 -0.159 0.000 1.021 420 S HN 0.544 nan 8.310 nan 0.000 0.483 421 L N 1.208 122.232 121.223 -0.333 0.000 2.397 421 L HA 0.500 4.840 4.340 -0.000 0.000 0.251 421 L C -0.214 176.469 176.870 -0.312 0.000 1.064 421 L CA -1.014 53.657 54.840 -0.282 0.000 0.859 421 L CB 1.777 43.708 42.059 -0.214 0.000 1.468 421 L HN 0.582 nan 8.230 nan 0.000 0.411 422 Q N 0.510 120.176 119.800 -0.223 0.000 2.264 422 Q HA 0.215 4.555 4.340 -0.000 0.000 0.296 422 Q C 0.841 176.736 176.000 -0.175 0.000 1.103 422 Q CA 1.356 57.051 55.803 -0.180 0.000 0.967 422 Q CB 0.166 28.841 28.738 -0.105 0.000 1.090 422 Q HN 0.808 nan 8.270 nan 0.000 0.379 423 G N 2.348 111.028 108.800 -0.202 0.000 2.176 423 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.253 423 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.253 423 G C -0.341 174.445 174.900 -0.191 0.000 0.979 423 G CA -0.017 45.020 45.100 -0.105 0.000 0.641 423 G HN 0.616 nan 8.290 nan 0.000 0.530 424 V N 0.269 119.918 119.914 -0.442 0.000 2.577 424 V HA 0.654 4.774 4.120 -0.000 0.000 0.303 424 V C -0.955 174.760 176.094 -0.631 0.000 1.042 424 V CA -0.926 61.148 62.300 -0.377 0.000 0.872 424 V CB 1.666 33.341 31.823 -0.247 0.000 0.998 424 V HN 0.236 nan 8.190 nan 0.000 0.423 425 Y N 3.009 123.246 120.300 -0.105 0.000 2.705 425 Y HA 0.446 4.996 4.550 -0.000 0.000 0.355 425 Y C 0.415 176.336 175.900 0.035 0.000 1.039 425 Y CA -0.724 57.318 58.100 -0.097 0.000 1.233 425 Y CB 0.905 39.235 38.460 -0.216 0.000 1.103 425 Y HN 0.623 nan 8.280 nan 0.000 0.624 426 N N 2.508 121.315 118.700 0.178 0.000 2.489 426 N HA 0.787 5.527 4.740 -0.000 0.000 0.284 426 N C -1.352 174.306 175.510 0.247 0.000 1.158 426 N CA -0.789 52.422 53.050 0.269 0.000 0.965 426 N CB 1.712 40.368 38.487 0.281 0.000 1.195 426 N HN 0.271 nan 8.380 nan 0.000 0.506 427 L N 0.841 122.236 121.223 0.288 0.000 2.445 427 L HA 0.761 5.101 4.340 -0.000 0.000 0.262 427 L C -1.201 175.699 176.870 0.049 0.000 0.974 427 L CA -0.797 54.167 54.840 0.207 0.000 0.822 427 L CB 2.068 44.337 42.059 0.349 0.000 1.339 427 L HN 0.609 nan 8.230 nan 0.000 0.409 428 A N 1.726 124.435 122.820 -0.185 0.000 2.459 428 A HA 0.956 5.276 4.320 -0.000 0.000 0.296 428 A C -0.306 176.866 177.584 -0.686 0.000 1.039 428 A CA 0.273 52.013 52.037 -0.495 0.000 0.698 428 A CB 1.900 20.755 19.000 -0.243 0.000 1.261 428 A HN 0.933 nan 8.150 nan 0.000 0.405 429 G N 0.341 108.416 108.800 -1.207 0.000 2.513 429 G HA2 0.505 4.465 3.960 -0.000 0.000 0.182 429 G HA3 0.505 4.465 3.960 -0.000 0.000 0.182 429 G C -1.665 172.452 174.900 -1.306 0.000 1.190 429 G CA -0.379 44.088 45.100 -1.055 0.000 0.987 429 G HN 0.873 nan 8.290 nan 0.000 0.479 430 F N 0.120 120.057 119.950 -0.022 0.000 2.576 430 F HA 0.821 5.348 4.527 0.000 0.000 0.313 430 F C -0.098 175.939 175.800 0.394 0.000 1.078 430 F CA -0.782 57.347 58.000 0.214 0.000 0.921 430 F CB 2.495 41.566 39.000 0.118 0.000 1.232 430 F HN 0.463 nan 8.300 nan 0.000 0.459 431 I N 1.086 121.984 120.570 0.547 0.000 2.533 431 I HA 0.469 4.639 4.170 -0.000 0.000 0.290 431 I C -1.034 175.253 176.117 0.282 0.000 1.056 431 I CA -0.157 61.360 61.300 0.362 0.000 1.057 431 I CB 1.886 40.029 38.000 0.239 0.000 1.240 431 I HN 0.525 nan 8.210 nan 0.000 0.423 432 T N 5.755 120.454 114.554 0.243 0.000 2.733 432 T HA 0.340 4.690 4.350 -0.000 0.000 0.294 432 T C 0.234 175.076 174.700 0.236 0.000 0.956 432 T CA -0.373 61.844 62.100 0.194 0.000 0.987 432 T CB 0.736 69.699 68.868 0.159 0.000 0.920 432 T HN 0.747 nan 8.240 nan 0.000 0.470 433 T N 0.685 115.286 114.554 0.079 0.000 2.852 433 T HA 0.611 4.961 4.350 -0.000 0.000 0.281 433 T C 1.907 176.280 174.700 -0.545 0.000 0.993 433 T CA -0.379 61.614 62.100 -0.179 0.000 0.933 433 T CB 0.657 69.430 68.868 -0.157 0.000 1.187 433 T HN 0.398 nan 8.240 nan 0.000 0.559 434 A N 0.827 122.990 122.820 -1.094 0.000 1.940 434 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 434 A C 2.520 179.922 177.584 -0.304 0.000 1.176 434 A CA 2.188 53.734 52.037 -0.819 0.000 0.631 434 A CB -1.548 17.055 19.000 -0.662 0.000 0.814 434 A HN 1.159 nan 8.150 nan 0.000 0.446 435 S N -1.796 113.768 115.700 -0.226 0.000 2.555 435 S HA 0.304 4.774 4.470 -0.000 0.000 0.230 435 S C 1.530 176.088 174.600 -0.069 0.000 0.978 435 S CA 1.209 59.341 58.200 -0.112 0.000 0.934 435 S CB -0.488 62.661 63.200 -0.085 0.000 0.766 435 S HN 1.986 nan 8.310 nan 0.000 0.533 436 G N 0.504 109.264 108.800 -0.067 0.000 2.176 436 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.253 436 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.253 436 G C -0.106 174.795 174.900 0.002 0.000 0.979 436 G CA 0.227 45.320 45.100 -0.013 0.000 0.641 436 G HN 0.761 nan 8.290 nan 0.000 0.530 437 Q N 0.555 120.350 119.800 -0.009 0.000 2.311 437 Q HA 0.340 4.679 4.340 -0.000 0.000 0.272 437 Q C 0.661 176.692 176.000 0.052 0.000 1.012 437 Q CA -0.364 55.448 55.803 0.014 0.000 0.891 437 Q CB 0.337 29.077 28.738 0.003 0.000 1.201 437 Q HN 0.498 nan 8.270 nan 0.000 0.391 438 R N 4.674 125.214 120.500 0.068 0.000 2.265 438 R HA 0.311 4.651 4.340 -0.000 0.000 0.314 438 R C -0.782 175.617 176.300 0.164 0.000 1.053 438 R CA -0.012 56.161 56.100 0.122 0.000 0.931 438 R CB 0.568 30.920 30.300 0.087 0.000 1.024 438 R HN 0.656 nan 8.270 nan 0.000 0.457 439 M N 3.390 123.131 119.600 0.234 0.000 2.383 439 M HA 0.410 4.890 4.480 -0.000 0.000 0.325 439 M C -0.436 176.080 176.300 0.361 0.000 1.092 439 M CA -0.919 54.528 55.300 0.246 0.000 0.961 439 M CB 2.265 34.980 32.600 0.190 0.000 1.672 439 M HN 0.663 nan 8.290 nan 0.000 0.438 440 A N 3.063 126.051 122.820 0.279 0.000 2.316 440 A HA 0.848 5.168 4.320 -0.000 0.000 0.284 440 A C -0.934 176.709 177.584 0.098 0.000 1.115 440 A CA -0.302 51.767 52.037 0.053 0.000 0.812 440 A CB 0.214 19.214 19.000 0.000 0.000 1.064 440 A HN 0.788 nan 8.150 nan 0.000 0.489 441 F N -0.182 119.678 119.950 -0.151 0.000 2.631 441 F HA 0.738 5.265 4.527 -0.000 0.000 0.308 441 F C -1.310 174.421 175.800 -0.115 0.000 1.097 441 F CA -1.225 56.738 58.000 -0.062 0.000 0.952 441 F CB 1.495 40.532 39.000 0.061 0.000 1.307 441 F HN 0.304 nan 8.300 nan 0.000 0.450 442 V N 2.702 122.614 119.914 -0.004 0.000 2.524 442 V HA 0.397 4.517 4.120 -0.000 0.000 0.297 442 V C -1.105 174.992 176.094 0.004 0.000 1.035 442 V CA -0.530 61.649 62.300 -0.201 0.000 0.867 442 V CB 1.493 33.062 31.823 -0.424 0.000 1.004 442 V HN 0.932 nan 8.190 nan 0.000 0.426 443 Q N 4.800 124.683 119.800 0.138 0.000 2.368 443 Q HA 0.461 4.801 4.340 -0.000 0.000 0.263 443 Q C -1.854 174.352 176.000 0.342 0.000 1.009 443 Q CA -0.504 55.476 55.803 0.296 0.000 0.818 443 Q CB 1.204 30.244 28.738 0.502 0.000 1.239 443 Q HN 0.812 nan 8.270 nan 0.000 0.464 444 Y N 4.685 125.102 120.300 0.195 0.000 2.402 444 Y HA 0.374 4.924 4.550 0.000 0.000 0.332 444 Y C -0.505 175.478 175.900 0.137 0.000 0.960 444 Y CA -0.969 57.215 58.100 0.139 0.000 1.228 444 Y CB 1.383 39.907 38.460 0.107 0.000 1.120 444 Y HN 0.466 nan 8.280 nan 0.000 0.491 445 L N 5.192 126.577 121.223 0.271 0.000 2.343 445 L HA 0.531 4.871 4.340 -0.000 0.000 0.278 445 L C -0.640 176.308 176.870 0.130 0.000 0.996 445 L CA -0.077 54.871 54.840 0.179 0.000 0.831 445 L CB 1.207 43.360 42.059 0.157 0.000 1.232 445 L HN 0.669 nan 8.230 nan 0.000 0.413 446 S N 1.532 117.298 115.700 0.109 0.000 2.806 446 S HA 0.750 5.220 4.470 -0.000 0.000 0.306 446 S C 0.545 175.199 174.600 0.091 0.000 1.167 446 S CA -0.056 58.182 58.200 0.062 0.000 0.847 446 S CB 1.630 64.834 63.200 0.006 0.000 1.216 446 S HN 1.097 nan 8.310 nan 0.000 0.532 447 G N -0.278 108.558 108.800 0.060 0.000 2.203 447 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.263 447 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.263 447 G C -0.301 174.654 174.900 0.091 0.000 1.012 447 G CA 0.673 45.807 45.100 0.056 0.000 0.749 447 G HN 1.109 nan 8.290 nan 0.000 0.512 448 Y N 0.859 121.160 120.300 0.002 0.000 2.436 448 Y HA 0.510 5.060 4.550 -0.000 0.000 0.343 448 Y C 0.341 176.262 175.900 0.036 0.000 1.008 448 Y CA -0.104 58.023 58.100 0.044 0.000 1.241 448 Y CB 0.613 39.150 38.460 0.128 0.000 1.153 448 Y HN 0.762 nan 8.280 nan 0.000 0.521 449 A N 5.695 128.499 122.820 -0.028 0.000 2.488 449 A HA 0.682 5.002 4.320 -0.000 0.000 0.298 449 A C -1.463 176.075 177.584 -0.077 0.000 1.044 449 A CA -0.398 51.653 52.037 0.024 0.000 0.693 449 A CB 0.709 19.720 19.000 0.018 0.000 1.272 449 A HN 0.884 nan 8.150 nan 0.000 0.402 450 V N -0.503 119.413 119.914 0.004 0.000 2.881 450 V HA 0.682 4.802 4.120 -0.000 0.000 0.316 450 V C -0.023 176.074 176.094 0.006 0.000 1.070 450 V CA -0.957 61.334 62.300 -0.016 0.000 0.976 450 V CB 1.416 33.252 31.823 0.022 0.000 1.038 450 V HN 0.896 nan 8.190 nan 0.000 0.446 451 E N 3.000 123.198 120.200 -0.003 0.000 2.398 451 E HA 0.151 4.501 4.350 -0.000 0.000 0.263 451 E C -1.656 174.953 176.600 0.015 0.000 1.046 451 E CA -1.237 55.166 56.400 0.005 0.000 0.908 451 E CB 0.479 30.178 29.700 -0.000 0.000 0.963 451 E HN 0.562 nan 8.360 nan 0.000 0.431 452 P HA -0.280 nan 4.420 nan 0.000 0.220 452 P C 0.771 178.082 177.300 0.018 0.000 1.155 452 P CA 1.801 64.914 63.100 0.021 0.000 0.880 452 P CB 0.015 31.729 31.700 0.022 0.000 0.790 453 A N -1.199 121.629 122.820 0.014 0.000 2.265 453 A HA -0.023 4.297 4.320 -0.000 0.000 0.213 453 A C 1.095 178.688 177.584 0.014 0.000 1.255 453 A CA 0.756 52.800 52.037 0.012 0.000 0.862 453 A CB -0.630 18.375 19.000 0.009 0.000 0.852 453 A HN 0.142 nan 8.150 nan 0.000 0.484 454 D N -1.796 118.616 120.400 0.020 0.000 2.530 454 D HA -0.014 4.626 4.640 -0.000 0.000 0.253 454 D C 1.166 177.490 176.300 0.040 0.000 1.338 454 D CA -0.116 53.900 54.000 0.026 0.000 0.806 454 D CB 0.100 40.913 40.800 0.022 0.000 1.160 454 D HN 0.263 nan 8.370 nan 0.000 0.514 455 Q N 0.827 120.650 119.800 0.039 0.000 2.226 455 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 455 Q C 0.855 176.884 176.000 0.049 0.000 0.975 455 Q CA 0.964 56.798 55.803 0.051 0.000 0.866 455 Q CB 0.319 29.081 28.738 0.040 0.000 0.915 455 Q HN 0.082 nan 8.270 nan 0.000 0.440 456 R N 0.136 120.656 120.500 0.033 0.000 2.893 456 R HA 0.228 4.568 4.340 -0.000 0.000 0.317 456 R C 0.230 176.546 176.300 0.026 0.000 1.239 456 R CA 0.018 56.134 56.100 0.026 0.000 1.128 456 R CB -0.489 29.819 30.300 0.013 0.000 1.377 456 R HN 0.272 nan 8.270 nan 0.000 0.583 457 N N 0.371 119.093 118.700 0.037 0.000 2.036 457 N HA -0.036 4.704 4.740 -0.000 0.000 0.224 457 N C 1.078 176.620 175.510 0.052 0.000 1.381 457 N CA 0.009 53.080 53.050 0.034 0.000 0.746 457 N CB 0.609 39.112 38.487 0.027 0.000 1.213 457 N HN 0.153 nan 8.380 nan 0.000 0.524 458 R N 0.496 121.044 120.500 0.081 0.000 2.200 458 R HA -0.034 4.306 4.340 -0.000 0.000 0.234 458 R C 1.478 177.877 176.300 0.165 0.000 1.127 458 R CA 0.840 57.033 56.100 0.156 0.000 0.989 458 R CB -0.311 30.117 30.300 0.214 0.000 0.869 458 R HN 0.063 nan 8.270 nan 0.000 0.459 459 R N 0.879 121.398 120.500 0.032 0.000 2.275 459 R HA 0.027 4.367 4.340 -0.000 0.000 0.199 459 R C 2.243 178.518 176.300 -0.042 0.000 0.989 459 R CA 0.743 56.782 56.100 -0.101 0.000 1.016 459 R CB -0.250 29.953 30.300 -0.163 0.000 0.918 459 R HN 0.397 nan 8.270 nan 0.000 0.473 460 I N -0.179 120.404 120.570 0.022 0.000 2.226 460 I HA -0.057 4.113 4.170 -0.000 0.000 0.245 460 I C -1.286 174.861 176.117 0.050 0.000 1.100 460 I CA 1.260 62.575 61.300 0.025 0.000 1.374 460 I CB -1.056 36.960 38.000 0.027 0.000 1.057 460 I HN -0.100 nan 8.210 nan 0.000 0.413 461 P HA -0.153 nan 4.420 nan 0.000 0.215 461 P C 2.084 179.485 177.300 0.170 0.000 1.153 461 P CA 1.220 64.388 63.100 0.113 0.000 0.853 461 P CB -0.164 31.583 31.700 0.078 0.000 0.788 462 L N -0.244 121.082 121.223 0.171 0.000 1.989 462 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 462 L C 2.162 179.089 176.870 0.096 0.000 1.071 462 L CA 1.968 56.860 54.840 0.086 0.000 0.749 462 L CB -1.284 40.586 42.059 -0.316 0.000 0.890 462 L HN -0.190 nan 8.230 nan 0.000 0.431 463 V N 0.354 120.270 119.914 0.002 0.000 2.282 463 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 463 V C 2.835 178.938 176.094 0.016 0.000 1.057 463 V CA 2.017 64.307 62.300 -0.017 0.000 1.032 463 V CB -0.933 30.865 31.823 -0.043 0.000 0.645 463 V HN 0.467 nan 8.190 nan 0.000 0.447 464 R N -0.569 119.961 120.500 0.050 0.000 2.083 464 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 464 R C 2.199 178.526 176.300 0.046 0.000 1.137 464 R CA 2.042 58.169 56.100 0.044 0.000 0.951 464 R CB -1.237 29.105 30.300 0.071 0.000 0.851 464 R HN 0.593 nan 8.270 nan 0.000 0.434 465 F N 2.250 122.188 119.950 -0.019 0.000 2.046 465 F HA -0.202 4.325 4.527 0.000 0.000 0.297 465 F C 2.204 177.947 175.800 -0.094 0.000 1.123 465 F CA 1.683 59.668 58.000 -0.024 0.000 1.199 465 F CB -0.061 38.970 39.000 0.052 0.000 0.972 465 F HN 0.027 nan 8.300 nan 0.000 0.474 466 E N -0.181 119.968 120.200 -0.085 0.000 2.106 466 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 466 E C 2.291 178.807 176.600 -0.141 0.000 0.984 466 E CA 1.275 57.614 56.400 -0.102 0.000 0.806 466 E CB -0.226 29.549 29.700 0.124 0.000 0.750 466 E HN 0.372 nan 8.360 nan 0.000 0.458 467 S N 0.850 116.462 115.700 -0.147 0.000 2.374 467 S HA -0.208 4.262 4.470 -0.000 0.000 0.227 467 S C 1.882 176.317 174.600 -0.275 0.000 1.037 467 S CA 1.309 59.413 58.200 -0.161 0.000 1.024 467 S CB -0.161 62.967 63.200 -0.121 0.000 0.861 467 S HN 0.219 nan 8.310 nan 0.000 0.456 468 R N 0.186 120.414 120.500 -0.454 0.000 2.055 468 R HA 0.088 4.428 4.340 -0.000 0.000 0.226 468 R C 2.394 178.086 176.300 -1.015 0.000 1.135 468 R CA 0.949 56.598 56.100 -0.752 0.000 0.959 468 R CB -0.582 29.127 30.300 -0.984 0.000 0.854 468 R HN 0.261 nan 8.270 nan 0.000 0.431 469 L N -0.040 120.491 121.223 -1.153 0.000 2.017 469 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 469 L C 1.696 178.101 176.870 -0.776 0.000 1.073 469 L CA 1.816 56.041 54.840 -1.025 0.000 0.745 469 L CB -0.468 40.853 42.059 -1.230 0.000 0.894 469 L HN 0.143 nan 8.230 nan 0.000 0.432 470 Y N -0.660 119.397 120.300 -0.405 0.000 2.395 470 Y HA -0.122 4.428 4.550 -0.000 0.000 0.293 470 Y C 2.523 178.313 175.900 -0.182 0.000 1.123 470 Y CA 1.209 59.135 58.100 -0.289 0.000 1.227 470 Y CB -0.329 37.951 38.460 -0.299 0.000 1.012 470 Y HN 0.206 nan 8.280 nan 0.000 0.552 471 K N 0.770 121.105 120.400 -0.109 0.000 2.026 471 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 471 K C 1.929 178.508 176.600 -0.034 0.000 1.048 471 K CA 1.878 58.127 56.287 -0.063 0.000 0.929 471 K CB -0.439 31.993 32.500 -0.114 0.000 0.713 471 K HN 0.131 nan 8.250 nan 0.000 0.439 472 D N 0.458 120.783 120.400 -0.125 0.000 2.106 472 D HA -0.188 4.452 4.640 -0.000 0.000 0.191 472 D C 1.922 178.195 176.300 -0.046 0.000 0.997 472 D CA 1.745 55.708 54.000 -0.062 0.000 0.834 472 D CB -0.122 40.660 40.800 -0.031 0.000 0.956 472 D HN 0.343 nan 8.370 nan 0.000 0.448 473 I N -0.284 120.227 120.570 -0.098 0.000 2.163 473 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 473 I C 2.474 178.601 176.117 0.016 0.000 1.085 473 I CA 1.105 62.367 61.300 -0.064 0.000 1.347 473 I CB -0.485 37.436 38.000 -0.132 0.000 1.044 473 I HN 0.091 nan 8.210 nan 0.000 0.408 474 Y N 1.436 121.705 120.300 -0.053 0.000 2.114 474 Y HA -0.345 4.205 4.550 -0.000 0.000 0.284 474 Y C 2.801 178.688 175.900 -0.021 0.000 1.143 474 Y CA 2.180 60.266 58.100 -0.023 0.000 1.135 474 Y CB -0.393 38.056 38.460 -0.018 0.000 0.980 474 Y HN 0.152 nan 8.280 nan 0.000 0.499 475 Q N -0.118 119.715 119.800 0.055 0.000 2.124 475 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 475 Q C 0.833 176.780 176.000 -0.089 0.000 0.977 475 Q CA 1.729 57.518 55.803 -0.024 0.000 0.850 475 Q CB -0.088 28.679 28.738 0.049 0.000 0.901 475 Q HN 0.460 nan 8.270 nan 0.000 0.429 476 N N 0.523 119.185 118.700 -0.063 0.000 2.268 476 N HA 0.128 4.868 4.740 -0.000 0.000 0.204 476 N C -0.620 174.854 175.510 -0.060 0.000 1.124 476 N CA 0.121 53.140 53.050 -0.053 0.000 0.838 476 N CB 0.403 38.873 38.487 -0.029 0.000 0.994 476 N HN 0.215 nan 8.380 nan 0.000 0.489 477 N N 0.000 118.645 118.700 -0.091 0.000 1.763 477 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 477 N CA 0.000 53.006 53.050 -0.073 0.000 0.885 477 N CB 0.000 38.461 38.487 -0.044 0.000 1.341 477 N HN 0.000 nan 8.380 nan 0.000 0.667