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 3ejy_1_A DATA FIRST_RESID 17 DATA SEQUENCE RRRQLIRQLL ERDKTPLAIL FMAAVVGTLV GLAAVAFDKG VAWLQNQRMG DATA SEQUENCE ALVHTADNYP LLLTVAFLCS AVLAMFGYFL VRKYAPEAGG SGIPEIEGAL DATA SEQUENCE EDQRPVRWWR VLPVKFFGGL GTLGGGMVLG REGPTVQIGG NIGRMVLDIF DATA SEQUENCE RLKGDEARHT LLATGAAAGL AAAFNAPLAG ILFIIEHMRP QFRYTLISIK DATA SEQUENCE AVFIGVIMST IMYRIFNHEV ALIDVGKLSD APLNTLWLYL ILGIIFGIFG DATA SEQUENCE PIFNKWVLGM QDLLHRVHGG NITKWVLMGG AIGGLCGLLG FVAPATSGGG DATA SEQUENCE FNLIPIATAG NFSMGMLVFI FVARVITTLL CFSSGAPGGI FAPMLALGTV DATA SEQUENCE LGTAFGMVAV ELFPQYHLEA GTFAIAGMGA LLAASIRAPL TGIILVLEMT DATA SEQUENCE DNYQLILPMI ITGLGATLLA QFTGGKPLYS AILARTLAKQ EAEQ 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 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.290 176.300 -0.017 0.000 0.893 17 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 17 R CB 0.000 30.291 30.300 -0.016 0.000 0.687 18 R N 1.543 122.034 120.500 -0.014 0.000 2.046 18 R HA 0.231 4.566 4.340 -0.008 0.000 0.223 18 R C 2.241 178.533 176.300 -0.013 0.000 1.179 18 R CA 1.253 57.345 56.100 -0.013 0.000 0.952 18 R CB -0.129 30.165 30.300 -0.011 0.000 0.843 18 R HN 0.141 nan 8.270 nan 0.000 0.439 19 R N 0.311 120.805 120.500 -0.011 0.000 2.148 19 R HA -0.117 4.218 4.340 -0.008 0.000 0.227 19 R C 2.046 178.339 176.300 -0.011 0.000 1.103 19 R CA 1.250 57.344 56.100 -0.010 0.000 0.983 19 R CB -0.004 30.292 30.300 -0.007 0.000 0.874 19 R HN 0.412 nan 8.270 nan 0.000 0.451 20 Q N 0.704 120.496 119.800 -0.012 0.000 1.978 20 Q HA -0.261 4.074 4.340 -0.008 0.000 0.211 20 Q C 2.266 178.255 176.000 -0.018 0.000 1.013 20 Q CA 2.235 58.030 55.803 -0.014 0.000 0.869 20 Q CB -0.553 28.175 28.738 -0.017 0.000 0.953 20 Q HN 0.413 nan 8.270 nan 0.000 0.415 21 L N 0.472 121.681 121.223 -0.024 0.000 2.017 21 L HA -0.083 4.252 4.340 -0.008 0.000 0.208 21 L C 1.449 178.306 176.870 -0.022 0.000 1.073 21 L CA 0.289 55.112 54.840 -0.028 0.000 0.745 21 L CB -0.660 41.379 42.059 -0.034 0.000 0.894 21 L HN 0.163 nan 8.230 nan 0.000 0.432 22 I N 0.564 121.124 120.570 -0.018 0.000 2.880 22 I HA -0.174 3.991 4.170 -0.008 0.000 0.296 22 I C 1.265 177.374 176.117 -0.012 0.000 1.220 22 I CA 0.325 61.617 61.300 -0.014 0.000 1.435 22 I CB 0.157 38.150 38.000 -0.012 0.000 1.339 22 I HN 0.374 nan 8.210 nan 0.000 0.583 23 R N 2.188 122.682 120.500 -0.011 0.000 3.869 23 R HA -0.277 4.058 4.340 -0.008 0.000 0.319 23 R C 1.372 177.667 176.300 -0.009 0.000 0.754 23 R CA 1.708 57.803 56.100 -0.009 0.000 1.769 23 R CB -1.157 29.139 30.300 -0.007 0.000 1.968 23 R HN 0.658 nan 8.270 nan 0.000 0.505 24 Q N 1.033 120.827 119.800 -0.010 0.000 2.515 24 Q HA 0.099 4.434 4.340 -0.008 0.000 0.212 24 Q C 2.061 178.054 176.000 -0.013 0.000 0.970 24 Q CA 0.744 56.541 55.803 -0.010 0.000 0.941 24 Q CB -0.179 28.552 28.738 -0.011 0.000 0.998 24 Q HN 0.567 nan 8.270 nan 0.000 0.518 25 L N -0.429 120.785 121.223 -0.015 0.000 2.201 25 L HA -0.101 4.234 4.340 -0.008 0.000 0.212 25 L C 0.365 177.229 176.870 -0.011 0.000 1.105 25 L CA 0.209 55.039 54.840 -0.016 0.000 0.775 25 L CB -0.347 41.702 42.059 -0.017 0.000 0.913 25 L HN 0.143 nan 8.230 nan 0.000 0.440 26 L N -0.074 121.144 121.223 -0.008 0.000 2.380 26 L HA 0.078 4.413 4.340 -0.008 0.000 0.273 26 L C 0.744 177.613 176.870 -0.002 0.000 1.138 26 L CA 0.593 55.429 54.840 -0.006 0.000 0.832 26 L CB 0.576 42.632 42.059 -0.005 0.000 1.124 26 L HN 0.086 nan 8.230 nan 0.000 0.454 27 E N -0.314 119.886 120.200 0.000 0.000 4.027 27 E HA -0.186 4.159 4.350 -0.008 0.000 0.338 27 E C 0.089 176.697 176.600 0.013 0.000 0.738 27 E CA 0.415 56.819 56.400 0.006 0.000 1.334 27 E CB -0.519 29.186 29.700 0.008 0.000 1.687 27 E HN 0.523 nan 8.360 nan 0.000 0.407 28 R N 0.490 120.995 120.500 0.007 0.000 2.349 28 R HA 0.236 4.571 4.340 -0.008 0.000 0.299 28 R C -0.219 176.084 176.300 0.006 0.000 1.027 28 R CA 0.360 56.467 56.100 0.012 0.000 0.958 28 R CB 0.690 30.991 30.300 0.003 0.000 1.047 28 R HN 0.105 nan 8.270 nan 0.000 0.468 29 D N 1.840 122.246 120.400 0.010 0.000 2.800 29 D HA -0.166 4.469 4.640 -0.008 0.000 0.232 29 D C -1.106 175.188 176.300 -0.010 0.000 1.137 29 D CA 1.185 55.180 54.000 -0.009 0.000 0.718 29 D CB -0.326 40.458 40.800 -0.027 0.000 1.084 29 D HN 0.458 nan 8.370 nan 0.000 0.432 30 K N 0.879 121.279 120.400 0.001 0.000 2.533 30 K HA 0.237 4.552 4.320 -0.008 0.000 0.207 30 K C -0.532 176.071 176.600 0.004 0.000 1.052 30 K CA -0.444 55.843 56.287 0.001 0.000 1.030 30 K CB 0.902 33.404 32.500 0.004 0.000 1.522 30 K HN 0.059 nan 8.250 nan 0.000 0.543 31 T N 3.219 117.772 114.554 -0.001 0.000 2.851 31 T HA 0.166 4.511 4.350 -0.008 0.000 0.298 31 T C -2.287 172.415 174.700 0.004 0.000 0.977 31 T CA -1.287 60.814 62.100 0.002 0.000 1.126 31 T CB 0.619 69.485 68.868 -0.003 0.000 0.916 31 T HN 0.169 nan 8.240 nan 0.000 0.529 32 P HA 0.070 nan 4.420 nan 0.000 0.262 32 P C 1.106 178.412 177.300 0.011 0.000 1.199 32 P CA -0.159 62.944 63.100 0.006 0.000 0.763 32 P CB 0.342 32.044 31.700 0.004 0.000 0.790 33 L N 3.870 125.100 121.223 0.012 0.000 2.103 33 L HA -0.350 3.985 4.340 -0.008 0.000 0.215 33 L C 1.992 178.886 176.870 0.039 0.000 1.080 33 L CA 2.304 57.159 54.840 0.025 0.000 0.764 33 L CB -0.505 41.562 42.059 0.013 0.000 0.890 33 L HN 0.437 nan 8.230 nan 0.000 0.435 34 A N -0.047 122.782 122.820 0.015 0.000 1.877 34 A HA -0.219 4.096 4.320 -0.008 0.000 0.216 34 A C 2.146 179.751 177.584 0.034 0.000 1.186 34 A CA 2.019 54.062 52.037 0.011 0.000 0.620 34 A CB -0.804 18.191 19.000 -0.010 0.000 0.822 34 A HN 0.526 nan 8.150 nan 0.000 0.443 35 I N -0.215 120.365 120.570 0.018 0.000 2.208 35 I HA -0.286 3.879 4.170 -0.008 0.000 0.245 35 I C 2.354 178.482 176.117 0.018 0.000 1.097 35 I CA 1.230 62.535 61.300 0.007 0.000 1.363 35 I CB -0.289 37.711 38.000 0.000 0.000 1.051 35 I HN 0.322 nan 8.210 nan 0.000 0.413 36 L N -0.694 120.551 121.223 0.038 0.000 2.046 36 L HA -0.241 4.094 4.340 -0.008 0.000 0.208 36 L C 2.524 179.420 176.870 0.044 0.000 1.077 36 L CA 1.406 56.268 54.840 0.037 0.000 0.747 36 L CB -0.652 41.433 42.059 0.043 0.000 0.896 36 L HN 0.189 nan 8.230 nan 0.000 0.432 37 F N -0.005 119.908 119.950 -0.061 0.000 2.146 37 F HA -0.226 4.296 4.527 -0.008 0.000 0.298 37 F C 2.560 178.287 175.800 -0.122 0.000 1.096 37 F CA 1.336 59.289 58.000 -0.078 0.000 1.275 37 F CB 0.016 38.968 39.000 -0.080 0.000 1.008 37 F HN -0.041 nan 8.300 nan 0.000 0.480 38 M N 0.228 119.861 119.600 0.056 0.000 2.213 38 M HA -0.129 4.346 4.480 -0.008 0.000 0.263 38 M C 2.507 178.720 176.300 -0.146 0.000 1.062 38 M CA 1.472 56.707 55.300 -0.108 0.000 1.105 38 M CB -1.928 30.595 32.600 -0.129 0.000 1.385 38 M HN 0.307 nan 8.290 nan 0.000 0.417 39 A N 0.305 123.066 122.820 -0.099 0.000 1.877 39 A HA -0.050 4.265 4.320 -0.008 0.000 0.216 39 A C 2.463 179.971 177.584 -0.126 0.000 1.186 39 A CA 2.249 54.234 52.037 -0.087 0.000 0.620 39 A CB -0.990 17.985 19.000 -0.041 0.000 0.822 39 A HN 0.466 nan 8.150 nan 0.000 0.443 40 A N -0.023 122.684 122.820 -0.189 0.000 1.892 40 A HA -0.109 4.207 4.320 -0.008 0.000 0.218 40 A C 2.426 179.865 177.584 -0.243 0.000 1.188 40 A CA 2.848 54.740 52.037 -0.241 0.000 0.631 40 A CB -1.427 17.342 19.000 -0.386 0.000 0.822 40 A HN 1.274 nan 8.150 nan 0.000 0.447 41 V N -2.281 117.454 119.914 -0.298 0.000 2.358 41 V HA -0.157 3.958 4.120 -0.008 0.000 0.246 41 V C 2.162 178.172 176.094 -0.140 0.000 1.047 41 V CA 2.090 64.260 62.300 -0.215 0.000 1.035 41 V CB -1.335 30.361 31.823 -0.212 0.000 0.658 41 V HN 0.220 nan 8.190 nan 0.000 0.452 42 V N 2.091 121.922 119.914 -0.139 0.000 2.231 42 V HA -0.211 3.904 4.120 -0.008 0.000 0.248 42 V C 3.007 179.055 176.094 -0.077 0.000 1.054 42 V CA 2.732 64.971 62.300 -0.102 0.000 1.015 42 V CB -1.800 29.967 31.823 -0.093 0.000 0.638 42 V HN 0.673 nan 8.190 nan 0.000 0.444 43 G N -0.587 108.168 108.800 -0.074 0.000 2.459 43 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.217 43 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.217 43 G C 1.672 176.548 174.900 -0.041 0.000 1.183 43 G CA 1.677 46.746 45.100 -0.052 0.000 0.776 43 G HN 0.495 nan 8.290 nan 0.000 0.552 44 T N 1.481 116.002 114.554 -0.055 0.000 2.720 44 T HA -0.087 4.258 4.350 -0.008 0.000 0.268 44 T C 2.406 177.093 174.700 -0.021 0.000 1.037 44 T CA 1.169 63.249 62.100 -0.034 0.000 1.144 44 T CB -0.229 68.607 68.868 -0.054 0.000 0.864 44 T HN 0.167 nan 8.240 nan 0.000 0.444 45 L N 0.660 121.860 121.223 -0.037 0.000 1.988 45 L HA -0.075 4.260 4.340 -0.008 0.000 0.207 45 L C 2.748 179.603 176.870 -0.026 0.000 1.071 45 L CA 0.987 55.807 54.840 -0.033 0.000 0.744 45 L CB -0.867 41.165 42.059 -0.045 0.000 0.893 45 L HN 0.125 nan 8.230 nan 0.000 0.433 46 V N 0.464 120.358 119.914 -0.032 0.000 2.453 46 V HA -0.264 3.851 4.120 -0.008 0.000 0.252 46 V C 2.542 178.632 176.094 -0.007 0.000 1.068 46 V CA 1.945 64.229 62.300 -0.027 0.000 1.070 46 V CB -1.570 30.231 31.823 -0.038 0.000 0.664 46 V HN 0.606 nan 8.190 nan 0.000 0.461 47 G N 0.396 109.201 108.800 0.007 0.000 2.604 47 G HA2 -0.220 3.735 3.960 -0.008 0.000 0.216 47 G HA3 -0.220 3.735 3.960 -0.008 0.000 0.216 47 G C 1.484 176.408 174.900 0.041 0.000 1.265 47 G CA 1.196 46.323 45.100 0.046 0.000 0.804 47 G HN 0.461 nan 8.290 nan 0.000 0.579 48 L N 1.078 122.307 121.223 0.010 0.000 2.021 48 L HA -0.208 4.127 4.340 -0.008 0.000 0.215 48 L C 3.445 180.295 176.870 -0.033 0.000 1.074 48 L CA 1.438 56.242 54.840 -0.060 0.000 0.760 48 L CB -0.816 41.212 42.059 -0.051 0.000 0.889 48 L HN 0.330 nan 8.230 nan 0.000 0.433 49 A N 0.292 123.119 122.820 0.011 0.000 1.859 49 A HA -0.271 4.044 4.320 -0.008 0.000 0.217 49 A C 2.580 180.250 177.584 0.143 0.000 1.198 49 A CA 2.443 54.531 52.037 0.084 0.000 0.629 49 A CB -1.014 18.014 19.000 0.046 0.000 0.830 49 A HN 0.441 nan 8.150 nan 0.000 0.446 50 A N -0.899 121.962 122.820 0.069 0.000 1.908 50 A HA -0.008 4.307 4.320 -0.008 0.000 0.218 50 A C 2.274 179.942 177.584 0.140 0.000 1.181 50 A CA 1.919 53.997 52.037 0.070 0.000 0.627 50 A CB -1.062 17.951 19.000 0.022 0.000 0.818 50 A HN 0.447 nan 8.150 nan 0.000 0.445 51 V N -0.119 119.847 119.914 0.087 0.000 2.255 51 V HA -0.293 3.823 4.120 -0.008 0.000 0.247 51 V C 3.092 179.162 176.094 -0.041 0.000 1.051 51 V CA 2.159 64.462 62.300 0.004 0.000 1.018 51 V CB -1.343 30.356 31.823 -0.207 0.000 0.641 51 V HN 0.641 nan 8.190 nan 0.000 0.445 52 A N -0.490 122.303 122.820 -0.044 0.000 1.883 52 A HA -0.284 4.032 4.320 -0.008 0.000 0.217 52 A C 2.138 179.726 177.584 0.006 0.000 1.186 52 A CA 2.251 54.286 52.037 -0.004 0.000 0.624 52 A CB -0.863 18.194 19.000 0.095 0.000 0.822 52 A HN 0.545 nan 8.150 nan 0.000 0.444 53 F N 1.094 120.961 119.950 -0.137 0.000 2.087 53 F HA -0.283 4.239 4.527 -0.008 0.000 0.299 53 F C 1.962 177.612 175.800 -0.251 0.000 1.100 53 F CA 2.462 60.196 58.000 -0.443 0.000 1.226 53 F CB -0.258 38.500 39.000 -0.404 0.000 0.983 53 F HN 0.340 nan 8.300 nan 0.000 0.479 54 D N 0.124 120.559 120.400 0.059 0.000 2.117 54 D HA -0.161 4.474 4.640 -0.008 0.000 0.197 54 D C 2.055 178.320 176.300 -0.059 0.000 0.987 54 D CA 1.214 55.234 54.000 0.033 0.000 0.829 54 D CB -0.094 40.810 40.800 0.173 0.000 0.961 54 D HN 0.183 nan 8.370 nan 0.000 0.460 55 K N 0.123 120.489 120.400 -0.056 0.000 2.057 55 K HA -0.048 4.268 4.320 -0.008 0.000 0.207 55 K C 2.227 178.799 176.600 -0.047 0.000 1.049 55 K CA 1.150 57.417 56.287 -0.034 0.000 0.931 55 K CB -0.990 31.482 32.500 -0.047 0.000 0.714 55 K HN 0.243 nan 8.250 nan 0.000 0.440 56 G N 1.549 110.253 108.800 -0.161 0.000 2.459 56 G HA2 -0.232 3.723 3.960 -0.008 0.000 0.217 56 G HA3 -0.232 3.723 3.960 -0.008 0.000 0.217 56 G C 1.743 176.553 174.900 -0.150 0.000 1.183 56 G CA 1.147 46.136 45.100 -0.186 0.000 0.776 56 G HN 0.130 nan 8.290 nan 0.000 0.552 57 V N 1.673 121.382 119.914 -0.341 0.000 2.392 57 V HA -0.169 3.946 4.120 -0.008 0.000 0.249 57 V C 3.309 179.356 176.094 -0.079 0.000 1.059 57 V CA 2.076 64.216 62.300 -0.266 0.000 1.051 57 V CB -0.994 30.611 31.823 -0.363 0.000 0.658 57 V HN 0.517 nan 8.190 nan 0.000 0.455 58 A N -0.744 122.060 122.820 -0.027 0.000 1.845 58 A HA -0.288 4.027 4.320 -0.008 0.000 0.215 58 A C 1.962 179.590 177.584 0.073 0.000 1.195 58 A CA 1.990 54.046 52.037 0.033 0.000 0.616 58 A CB -1.067 17.966 19.000 0.055 0.000 0.832 58 A HN 0.691 nan 8.150 nan 0.000 0.443 59 W N 0.544 121.801 121.300 -0.071 0.000 2.304 59 W HA -0.243 4.412 4.660 -0.007 0.000 0.315 59 W C 1.853 178.338 176.519 -0.057 0.000 1.233 59 W CA 2.306 59.618 57.345 -0.054 0.000 1.261 59 W CB -0.363 29.064 29.460 -0.055 0.000 1.150 59 W HN 0.283 nan 8.180 nan 0.000 0.494 60 L N -0.027 121.297 121.223 0.168 0.000 2.056 60 L HA -0.254 4.082 4.340 -0.008 0.000 0.207 60 L C 2.694 179.493 176.870 -0.120 0.000 1.078 60 L CA 1.736 56.573 54.840 -0.004 0.000 0.749 60 L CB -1.073 41.034 42.059 0.079 0.000 0.901 60 L HN 0.042 nan 8.230 nan 0.000 0.433 61 Q N -0.330 119.427 119.800 -0.071 0.000 2.135 61 Q HA -0.268 4.067 4.340 -0.008 0.000 0.204 61 Q C 1.953 177.890 176.000 -0.105 0.000 0.981 61 Q CA 2.069 57.832 55.803 -0.067 0.000 0.856 61 Q CB -0.219 28.502 28.738 -0.029 0.000 0.902 61 Q HN 0.487 nan 8.270 nan 0.000 0.425 62 N N -0.325 118.287 118.700 -0.147 0.000 2.142 62 N HA -0.201 4.535 4.740 -0.008 0.000 0.186 62 N C 1.714 177.056 175.510 -0.280 0.000 1.023 62 N CA 1.143 54.079 53.050 -0.189 0.000 0.852 62 N CB 0.105 38.478 38.487 -0.190 0.000 0.998 62 N HN 0.093 nan 8.380 nan 0.000 0.424 63 Q N 0.627 120.164 119.800 -0.439 0.000 2.077 63 Q HA -0.143 4.193 4.340 -0.008 0.000 0.206 63 Q C 2.051 177.897 176.000 -0.256 0.000 0.989 63 Q CA 1.517 57.054 55.803 -0.442 0.000 0.853 63 Q CB -0.445 27.931 28.738 -0.603 0.000 0.907 63 Q HN 0.559 nan 8.270 nan 0.000 0.418 64 R N -0.494 119.889 120.500 -0.194 0.000 2.193 64 R HA -0.057 4.279 4.340 -0.008 0.000 0.229 64 R C 2.128 178.361 176.300 -0.110 0.000 1.110 64 R CA 0.996 57.020 56.100 -0.125 0.000 0.988 64 R CB -0.229 30.020 30.300 -0.084 0.000 0.871 64 R HN 0.154 nan 8.270 nan 0.000 0.458 65 M N 0.102 119.632 119.600 -0.116 0.000 2.200 65 M HA 0.060 4.535 4.480 -0.008 0.000 0.265 65 M C 2.006 178.227 176.300 -0.132 0.000 1.066 65 M CA 1.403 56.652 55.300 -0.085 0.000 1.127 65 M CB -0.591 31.970 32.600 -0.065 0.000 1.379 65 M HN 0.131 nan 8.290 nan 0.000 0.420 66 G N -0.981 107.705 108.800 -0.190 0.000 2.403 66 G HA2 -0.030 3.925 3.960 -0.008 0.000 0.216 66 G HA3 -0.030 3.925 3.960 -0.008 0.000 0.216 66 G C 1.522 176.147 174.900 -0.457 0.000 1.154 66 G CA 0.811 45.747 45.100 -0.272 0.000 0.784 66 G HN 0.612 nan 8.290 nan 0.000 0.538 67 A N 0.439 123.066 122.820 -0.322 0.000 2.015 67 A HA 0.188 4.504 4.320 -0.008 0.000 0.219 67 A C 2.263 179.722 177.584 -0.208 0.000 1.163 67 A CA 0.737 52.619 52.037 -0.259 0.000 0.646 67 A CB -0.286 18.655 19.000 -0.097 0.000 0.806 67 A HN 0.345 nan 8.150 nan 0.000 0.448 68 L N -0.417 120.702 121.223 -0.173 0.000 2.465 68 L HA -0.073 4.262 4.340 -0.008 0.000 0.224 68 L C 2.045 178.846 176.870 -0.115 0.000 1.145 68 L CA 0.422 55.183 54.840 -0.131 0.000 0.834 68 L CB -0.121 41.886 42.059 -0.086 0.000 0.944 68 L HN 0.271 nan 8.230 nan 0.000 0.451 69 V N -1.224 118.580 119.914 -0.184 0.000 2.725 69 V HA -0.195 3.920 4.120 -0.008 0.000 0.247 69 V C 1.834 177.889 176.094 -0.064 0.000 1.058 69 V CA 1.057 63.280 62.300 -0.128 0.000 1.080 69 V CB -0.591 31.148 31.823 -0.140 0.000 0.713 69 V HN 0.513 nan 8.190 nan 0.000 0.465 70 H N -0.594 118.464 119.070 -0.020 0.000 2.568 70 H HA -0.034 4.517 4.556 -0.008 0.000 0.281 70 H C 1.431 176.746 175.328 -0.021 0.000 1.028 70 H CA 1.054 57.090 56.048 -0.019 0.000 1.199 70 H CB 0.196 29.944 29.762 -0.023 0.000 1.352 70 H HN 0.401 nan 8.280 nan 0.000 0.605 71 T N -1.153 113.430 114.554 0.049 0.000 3.794 71 T HA 0.408 4.753 4.350 -0.008 0.000 0.300 71 T C 1.053 175.740 174.700 -0.020 0.000 0.961 71 T CA 0.137 62.241 62.100 0.006 0.000 1.025 71 T CB -0.270 68.583 68.868 -0.025 0.000 1.175 71 T HN 0.329 nan 8.240 nan 0.000 0.474 72 A N 0.712 123.539 122.820 0.011 0.000 2.218 72 A HA 0.214 4.529 4.320 -0.008 0.000 0.209 72 A C 1.805 179.429 177.584 0.067 0.000 1.168 72 A CA 0.939 52.996 52.037 0.034 0.000 0.804 72 A CB -0.065 18.965 19.000 0.050 0.000 0.834 72 A HN 0.702 nan 8.150 nan 0.000 0.482 73 D N -0.247 120.186 120.400 0.055 0.000 2.320 73 D HA -0.058 4.577 4.640 -0.008 0.000 0.228 73 D C 0.533 176.881 176.300 0.079 0.000 0.978 73 D CA 0.378 54.418 54.000 0.066 0.000 0.905 73 D CB -0.950 39.879 40.800 0.049 0.000 1.051 73 D HN 0.163 nan 8.370 nan 0.000 0.471 74 N N 0.131 118.864 118.700 0.054 0.000 2.421 74 N HA -0.013 4.722 4.740 -0.008 0.000 0.260 74 N C 0.161 175.707 175.510 0.061 0.000 1.173 74 N CA -0.186 52.898 53.050 0.056 0.000 0.960 74 N CB -0.225 38.276 38.487 0.024 0.000 1.273 74 N HN 0.144 nan 8.380 nan 0.000 0.497 75 Y N 5.920 126.213 120.300 -0.012 0.000 2.145 75 Y HA -0.015 4.531 4.550 -0.008 0.000 0.286 75 Y C -0.935 174.935 175.900 -0.050 0.000 1.145 75 Y CA 1.549 59.636 58.100 -0.021 0.000 1.148 75 Y CB -0.518 37.955 38.460 0.021 0.000 0.981 75 Y HN 0.529 nan 8.280 nan 0.000 0.507 76 P HA -0.138 nan 4.420 nan 0.000 0.221 76 P C 1.532 178.776 177.300 -0.093 0.000 1.150 76 P CA 1.091 64.188 63.100 -0.005 0.000 0.800 76 P CB -0.075 31.663 31.700 0.064 0.000 0.787 77 L N -1.023 120.155 121.223 -0.074 0.000 2.291 77 L HA 0.014 4.349 4.340 -0.008 0.000 0.214 77 L C 1.980 178.767 176.870 -0.140 0.000 1.120 77 L CA 1.216 56.007 54.840 -0.082 0.000 0.799 77 L CB -1.196 40.838 42.059 -0.042 0.000 0.925 77 L HN -0.122 nan 8.230 nan 0.000 0.446 78 L N -1.251 119.834 121.223 -0.229 0.000 1.988 78 L HA -0.173 4.163 4.340 -0.008 0.000 0.207 78 L C 2.313 178.933 176.870 -0.416 0.000 1.071 78 L CA 1.451 56.078 54.840 -0.355 0.000 0.744 78 L CB -0.346 41.410 42.059 -0.506 0.000 0.893 78 L HN 0.210 nan 8.230 nan 0.000 0.433 79 L N -0.280 120.641 121.223 -0.502 0.000 2.197 79 L HA -0.261 4.074 4.340 -0.008 0.000 0.215 79 L C 2.388 179.166 176.870 -0.152 0.000 1.095 79 L CA 1.809 56.434 54.840 -0.357 0.000 0.764 79 L CB -1.175 40.699 42.059 -0.309 0.000 0.897 79 L HN 0.452 nan 8.230 nan 0.000 0.436 80 T N -0.731 113.742 114.554 -0.135 0.000 2.735 80 T HA -0.090 4.255 4.350 -0.008 0.000 0.256 80 T C 1.956 176.662 174.700 0.010 0.000 1.042 80 T CA 1.035 63.103 62.100 -0.054 0.000 1.147 80 T CB -0.151 68.677 68.868 -0.066 0.000 0.865 80 T HN 0.058 nan 8.240 nan 0.000 0.421 81 V N 1.841 121.728 119.914 -0.045 0.000 2.720 81 V HA -0.106 4.009 4.120 -0.008 0.000 0.256 81 V C 2.696 178.772 176.094 -0.030 0.000 1.082 81 V CA 1.379 63.662 62.300 -0.028 0.000 1.101 81 V CB -1.223 30.570 31.823 -0.050 0.000 0.693 81 V HN 0.496 nan 8.190 nan 0.000 0.479 82 A N 0.068 122.851 122.820 -0.062 0.000 1.832 82 A HA -0.174 4.141 4.320 -0.008 0.000 0.214 82 A C 2.080 179.685 177.584 0.035 0.000 1.200 82 A CA 1.779 53.791 52.037 -0.042 0.000 0.610 82 A CB -0.750 18.191 19.000 -0.097 0.000 0.842 82 A HN 0.480 nan 8.150 nan 0.000 0.444 83 F N 0.775 120.689 119.950 -0.060 0.000 2.025 83 F HA -0.239 4.282 4.527 -0.009 0.000 0.297 83 F C 2.030 177.822 175.800 -0.014 0.000 1.132 83 F CA 2.212 60.196 58.000 -0.026 0.000 1.191 83 F CB -0.344 38.639 39.000 -0.029 0.000 0.963 83 F HN 0.149 nan 8.300 nan 0.000 0.481 84 L N -0.636 120.810 121.223 0.372 0.000 2.127 84 L HA -0.311 4.024 4.340 -0.008 0.000 0.211 84 L C 2.743 179.633 176.870 0.034 0.000 1.089 84 L CA 1.266 56.242 54.840 0.227 0.000 0.757 84 L CB -0.974 41.201 42.059 0.194 0.000 0.899 84 L HN 0.442 nan 8.230 nan 0.000 0.434 85 C N -0.858 118.447 119.300 0.009 0.000 2.453 85 C HA -0.128 4.327 4.460 -0.008 0.000 0.277 85 C C 3.147 178.109 174.990 -0.047 0.000 1.262 85 C CA 1.353 60.359 59.018 -0.019 0.000 1.718 85 C CB -0.444 27.280 27.740 -0.027 0.000 2.031 85 C HN 0.508 nan 8.230 nan 0.000 0.480 86 S N 0.542 116.190 115.700 -0.086 0.000 2.406 86 S HA -0.033 4.432 4.470 -0.008 0.000 0.228 86 S C 2.069 176.588 174.600 -0.135 0.000 1.020 86 S CA 1.071 59.211 58.200 -0.099 0.000 0.965 86 S CB -0.374 62.755 63.200 -0.117 0.000 0.798 86 S HN 0.730 nan 8.310 nan 0.000 0.488 87 A N 1.390 124.056 122.820 -0.256 0.000 1.858 87 A HA -0.061 4.255 4.320 -0.008 0.000 0.216 87 A C 2.333 179.883 177.584 -0.057 0.000 1.190 87 A CA 1.591 53.473 52.037 -0.258 0.000 0.617 87 A CB -1.041 17.735 19.000 -0.373 0.000 0.827 87 A HN 0.327 nan 8.150 nan 0.000 0.443 88 V N -0.035 119.873 119.914 -0.009 0.000 2.332 88 V HA -0.271 3.844 4.120 -0.008 0.000 0.248 88 V C 2.597 178.753 176.094 0.104 0.000 1.055 88 V CA 2.073 64.405 62.300 0.053 0.000 1.038 88 V CB -0.732 31.119 31.823 0.047 0.000 0.651 88 V HN 0.556 nan 8.190 nan 0.000 0.450 89 L N -0.284 120.978 121.223 0.065 0.000 2.056 89 L HA -0.133 4.202 4.340 -0.008 0.000 0.207 89 L C 2.719 179.706 176.870 0.196 0.000 1.078 89 L CA 1.528 56.420 54.840 0.088 0.000 0.749 89 L CB -0.779 41.292 42.059 0.019 0.000 0.901 89 L HN 0.346 nan 8.230 nan 0.000 0.433 90 A N 0.013 122.934 122.820 0.167 0.000 1.865 90 A HA -0.280 4.035 4.320 -0.008 0.000 0.217 90 A C 2.315 180.147 177.584 0.413 0.000 1.191 90 A CA 2.114 54.325 52.037 0.289 0.000 0.623 90 A CB -0.600 18.515 19.000 0.193 0.000 0.826 90 A HN 0.343 nan 8.150 nan 0.000 0.444 91 M N -1.971 117.773 119.600 0.240 0.000 2.082 91 M HA -0.159 4.316 4.480 -0.008 0.000 0.258 91 M C 2.226 178.731 176.300 0.341 0.000 1.069 91 M CA 2.211 57.647 55.300 0.228 0.000 1.102 91 M CB -0.629 32.041 32.600 0.116 0.000 1.336 91 M HN 0.566 nan 8.290 nan 0.000 0.404 92 F N 0.953 121.011 119.950 0.180 0.000 2.120 92 F HA -0.172 4.350 4.527 -0.008 0.000 0.300 92 F C 2.131 178.094 175.800 0.271 0.000 1.095 92 F CA 1.797 59.922 58.000 0.209 0.000 1.249 92 F CB -0.443 38.644 39.000 0.145 0.000 0.995 92 F HN 0.082 nan 8.300 nan 0.000 0.480 93 G N -1.123 108.018 108.800 0.568 0.000 2.404 93 G HA2 -0.276 3.679 3.960 -0.008 0.000 0.214 93 G HA3 -0.276 3.679 3.960 -0.008 0.000 0.214 93 G C 1.313 176.321 174.900 0.179 0.000 1.189 93 G CA 0.797 46.122 45.100 0.375 0.000 0.789 93 G HN 0.438 nan 8.290 nan 0.000 0.533 94 Y N -0.162 120.211 120.300 0.122 0.000 2.193 94 Y HA -0.137 4.408 4.550 -0.009 0.000 0.285 94 Y C 2.360 178.227 175.900 -0.055 0.000 1.166 94 Y CA 1.634 59.744 58.100 0.017 0.000 1.181 94 Y CB -0.470 38.047 38.460 0.095 0.000 0.976 94 Y HN 0.265 nan 8.280 nan 0.000 0.520 95 F N -0.355 119.627 119.950 0.055 0.000 2.039 95 F HA -0.217 4.305 4.527 -0.008 0.000 0.294 95 F C 2.079 177.832 175.800 -0.079 0.000 1.130 95 F CA 1.154 59.122 58.000 -0.054 0.000 1.189 95 F CB -0.524 38.429 39.000 -0.077 0.000 0.983 95 F HN -0.149 nan 8.300 nan 0.000 0.471 96 L N 0.329 121.421 121.223 -0.218 0.000 2.357 96 L HA -0.223 4.112 4.340 -0.008 0.000 0.220 96 L C 2.092 178.853 176.870 -0.182 0.000 1.123 96 L CA 1.040 55.731 54.840 -0.248 0.000 0.782 96 L CB -1.231 40.738 42.059 -0.150 0.000 0.910 96 L HN 0.224 nan 8.230 nan 0.000 0.442 97 V N -0.959 118.825 119.914 -0.216 0.000 2.326 97 V HA -0.100 4.015 4.120 -0.008 0.000 0.237 97 V C 2.498 178.396 176.094 -0.326 0.000 1.044 97 V CA 0.736 62.894 62.300 -0.237 0.000 1.035 97 V CB -0.324 31.337 31.823 -0.271 0.000 0.675 97 V HN 0.311 nan 8.190 nan 0.000 0.470 98 R N 0.485 120.732 120.500 -0.421 0.000 2.170 98 R HA -0.196 4.139 4.340 -0.008 0.000 0.242 98 R C 2.085 178.128 176.300 -0.427 0.000 1.145 98 R CA 1.450 57.277 56.100 -0.455 0.000 0.984 98 R CB -0.480 29.543 30.300 -0.462 0.000 0.869 98 R HN 0.362 nan 8.270 nan 0.000 0.455 99 K N -0.410 119.634 120.400 -0.593 0.000 2.078 99 K HA -0.006 4.309 4.320 -0.008 0.000 0.203 99 K C 1.419 177.611 176.600 -0.680 0.000 1.043 99 K CA 1.178 57.005 56.287 -0.766 0.000 0.960 99 K CB 0.013 31.696 32.500 -1.362 0.000 0.761 99 K HN 0.090 nan 8.250 nan 0.000 0.448 100 Y N -1.286 118.793 120.300 -0.367 0.000 2.498 100 Y HA 0.502 5.047 4.550 -0.008 0.000 0.259 100 Y C -0.116 175.670 175.900 -0.190 0.000 1.086 100 Y CA -0.040 57.920 58.100 -0.232 0.000 1.287 100 Y CB 1.006 39.347 38.460 -0.198 0.000 1.146 100 Y HN 0.039 nan 8.280 nan 0.000 0.523 101 A N -0.141 122.631 122.820 -0.081 0.000 2.771 101 A HA 0.441 4.757 4.320 -0.008 0.000 0.301 101 A C -2.460 175.030 177.584 -0.157 0.000 1.194 101 A CA -0.895 51.072 52.037 -0.118 0.000 0.837 101 A CB 0.366 19.299 19.000 -0.112 0.000 1.438 101 A HN -0.054 nan 8.150 nan 0.000 0.436 102 P HA -0.194 nan 4.420 nan 0.000 0.218 102 P C 1.049 178.256 177.300 -0.155 0.000 1.148 102 P CA 1.705 64.688 63.100 -0.196 0.000 0.822 102 P CB 0.171 31.770 31.700 -0.168 0.000 0.784 103 E N -0.698 119.425 120.200 -0.127 0.000 2.526 103 E HA 0.115 4.460 4.350 -0.008 0.000 0.198 103 E C 1.083 177.619 176.600 -0.107 0.000 1.091 103 E CA 0.455 56.791 56.400 -0.105 0.000 0.880 103 E CB -0.501 29.138 29.700 -0.101 0.000 0.873 103 E HN 0.119 nan 8.360 nan 0.000 0.527 104 A N 0.873 123.621 122.820 -0.120 0.000 2.564 104 A HA 0.464 4.780 4.320 -0.008 0.000 0.279 104 A C 0.929 178.444 177.584 -0.115 0.000 1.232 104 A CA -0.088 51.886 52.037 -0.106 0.000 0.950 104 A CB 0.314 19.257 19.000 -0.095 0.000 1.138 104 A HN 0.291 nan 8.150 nan 0.000 0.526 105 G N -1.218 107.499 108.800 -0.139 0.000 2.563 105 G HA2 0.545 4.500 3.960 -0.008 0.000 0.283 105 G HA3 0.545 4.500 3.960 -0.008 0.000 0.283 105 G C 0.874 175.695 174.900 -0.132 0.000 1.309 105 G CA 0.183 45.188 45.100 -0.158 0.000 1.022 105 G HN 1.462 nan 8.290 nan 0.000 0.501 106 G N -0.806 107.880 108.800 -0.191 0.000 2.578 106 G HA2 -0.249 3.707 3.960 -0.008 0.000 0.284 106 G HA3 -0.249 3.707 3.960 -0.008 0.000 0.284 106 G C 1.443 176.354 174.900 0.019 0.000 1.283 106 G CA 0.847 45.773 45.100 -0.290 0.000 0.944 106 G HN 1.316 nan 8.290 nan 0.000 0.558 107 S N -0.565 115.314 115.700 0.297 0.000 2.338 107 S HA 0.230 4.695 4.470 -0.008 0.000 0.218 107 S C 2.377 177.007 174.600 0.050 0.000 1.032 107 S CA 2.666 61.052 58.200 0.310 0.000 0.999 107 S CB -0.752 62.709 63.200 0.434 0.000 0.905 107 S HN 2.700 nan 8.310 nan 0.000 0.439 108 G N -0.153 108.641 108.800 -0.009 0.000 2.179 108 G HA2 -0.187 3.768 3.960 -0.008 0.000 0.220 108 G HA3 -0.187 3.768 3.960 -0.008 0.000 0.220 108 G C 0.776 175.606 174.900 -0.117 0.000 0.990 108 G CA 0.371 45.430 45.100 -0.067 0.000 0.646 108 G HN 0.505 nan 8.290 nan 0.000 0.517 109 I N 1.082 121.518 120.570 -0.223 0.000 2.353 109 I HA -0.044 4.121 4.170 -0.008 0.000 0.248 109 I C 0.078 176.054 176.117 -0.235 0.000 1.119 109 I CA 1.372 62.494 61.300 -0.297 0.000 1.417 109 I CB -0.743 36.915 38.000 -0.570 0.000 1.078 109 I HN 0.134 nan 8.210 nan 0.000 0.421 110 P HA -0.137 nan 4.420 nan 0.000 0.219 110 P C 1.365 178.637 177.300 -0.046 0.000 1.150 110 P CA 1.146 64.209 63.100 -0.063 0.000 0.814 110 P CB 0.116 31.838 31.700 0.036 0.000 0.787 111 E N -0.064 120.101 120.200 -0.057 0.000 2.051 111 E HA -0.152 4.193 4.350 -0.008 0.000 0.192 111 E C 1.935 178.502 176.600 -0.054 0.000 0.991 111 E CA 1.112 57.481 56.400 -0.052 0.000 0.799 111 E CB -0.945 28.719 29.700 -0.059 0.000 0.748 111 E HN 0.019 nan 8.360 nan 0.000 0.449 112 I N 0.925 121.458 120.570 -0.062 0.000 2.361 112 I HA -0.190 3.975 4.170 -0.008 0.000 0.251 112 I C 2.339 178.418 176.117 -0.063 0.000 1.133 112 I CA 1.323 62.591 61.300 -0.054 0.000 1.413 112 I CB -1.022 36.951 38.000 -0.046 0.000 1.073 112 I HN 0.330 nan 8.210 nan 0.000 0.424 113 E N 0.981 121.138 120.200 -0.070 0.000 2.072 113 E HA -0.155 4.190 4.350 -0.008 0.000 0.191 113 E C 2.344 178.893 176.600 -0.086 0.000 0.985 113 E CA 1.213 57.560 56.400 -0.088 0.000 0.801 113 E CB -0.186 29.476 29.700 -0.063 0.000 0.750 113 E HN 0.451 nan 8.360 nan 0.000 0.452 114 G N 0.798 109.560 108.800 -0.063 0.000 2.440 114 G HA2 -0.285 3.670 3.960 -0.008 0.000 0.218 114 G HA3 -0.285 3.670 3.960 -0.008 0.000 0.218 114 G C 1.648 176.520 174.900 -0.046 0.000 1.154 114 G CA 0.914 45.980 45.100 -0.057 0.000 0.767 114 G HN 0.404 nan 8.290 nan 0.000 0.552 115 A N 0.176 122.976 122.820 -0.033 0.000 2.076 115 A HA 0.086 4.401 4.320 -0.008 0.000 0.220 115 A C 2.336 179.928 177.584 0.013 0.000 1.160 115 A CA 1.219 53.255 52.037 -0.002 0.000 0.653 115 A CB -0.275 18.726 19.000 0.002 0.000 0.801 115 A HN 0.391 nan 8.150 nan 0.000 0.455 116 L N -0.974 120.212 121.223 -0.061 0.000 2.270 116 L HA 0.005 4.340 4.340 -0.008 0.000 0.210 116 L C 1.778 178.511 176.870 -0.228 0.000 1.104 116 L CA 0.562 55.296 54.840 -0.178 0.000 0.804 116 L CB -0.116 41.801 42.059 -0.237 0.000 0.937 116 L HN 0.234 nan 8.230 nan 0.000 0.450 117 E N -0.500 119.626 120.200 -0.123 0.000 2.489 117 E HA -0.055 4.290 4.350 -0.008 0.000 0.193 117 E C -0.331 176.255 176.600 -0.022 0.000 1.057 117 E CA 0.147 56.488 56.400 -0.098 0.000 0.866 117 E CB -0.070 29.557 29.700 -0.122 0.000 0.916 117 E HN 0.310 nan 8.360 nan 0.000 0.500 118 D N 1.345 121.762 120.400 0.029 0.000 2.686 118 D HA -0.182 4.453 4.640 -0.008 0.000 0.235 118 D C 0.419 176.728 176.300 0.014 0.000 1.160 118 D CA 0.536 54.568 54.000 0.052 0.000 0.645 118 D CB -0.544 40.308 40.800 0.088 0.000 1.039 118 D HN 0.283 nan 8.370 nan 0.000 0.423 119 Q N -0.806 118.990 119.800 -0.008 0.000 2.189 119 Q HA 0.133 4.468 4.340 -0.008 0.000 0.223 119 Q C 0.460 176.451 176.000 -0.014 0.000 0.828 119 Q CA 0.275 56.067 55.803 -0.019 0.000 0.967 119 Q CB 1.283 29.995 28.738 -0.044 0.000 1.139 119 Q HN 0.248 nan 8.270 nan 0.000 0.497 120 R N 0.829 121.325 120.500 -0.007 0.000 2.626 120 R HA 0.508 4.843 4.340 -0.008 0.000 0.274 120 R C -2.749 173.553 176.300 0.003 0.000 1.031 120 R CA -1.789 54.306 56.100 -0.009 0.000 0.898 120 R CB 1.340 31.626 30.300 -0.023 0.000 1.222 120 R HN -0.091 nan 8.270 nan 0.000 0.455 121 P HA 0.318 nan 4.420 nan 0.000 0.284 121 P C -0.414 176.870 177.300 -0.027 0.000 1.258 121 P CA -0.632 62.478 63.100 0.016 0.000 0.824 121 P CB 0.982 32.704 31.700 0.037 0.000 1.038 122 V N 3.548 123.460 119.914 -0.002 0.000 2.218 122 V HA 0.234 4.349 4.120 -0.008 0.000 0.261 122 V C 1.047 177.021 176.094 -0.201 0.000 1.142 122 V CA -0.392 61.885 62.300 -0.039 0.000 0.965 122 V CB -0.569 31.287 31.823 0.055 0.000 1.190 122 V HN 0.407 nan 8.190 nan 0.000 0.478 123 R N 4.686 124.879 120.500 -0.511 0.000 4.164 123 R HA 0.041 4.376 4.340 -0.008 0.000 0.195 123 R C 1.477 176.965 176.300 -1.354 0.000 1.712 123 R CA -0.207 55.040 56.100 -1.422 0.000 1.457 123 R CB 0.025 29.693 30.300 -1.053 0.000 1.387 123 R HN 0.931 nan 8.270 nan 0.000 0.785 124 W N 1.574 122.375 121.300 -0.832 0.000 2.333 124 W HA -0.271 4.384 4.660 -0.008 0.000 0.316 124 W C 1.030 177.387 176.519 -0.270 0.000 1.215 124 W CA 1.033 58.164 57.345 -0.356 0.000 1.278 124 W CB -1.390 28.019 29.460 -0.086 0.000 1.154 124 W HN 0.505 nan 8.180 nan 0.000 0.486 125 W N 1.929 122.713 121.300 -0.859 0.000 2.303 125 W HA -0.184 4.471 4.660 -0.008 0.000 0.287 125 W C 2.149 178.516 176.519 -0.252 0.000 1.213 125 W CA 2.028 58.944 57.345 -0.714 0.000 1.203 125 W CB -1.393 27.507 29.460 -0.933 0.000 1.136 125 W HN -0.153 nan 8.180 nan 0.000 0.547 126 R N 0.462 120.595 120.500 -0.612 0.000 2.039 126 R HA 0.029 4.364 4.340 -0.008 0.000 0.218 126 R C 2.349 178.540 176.300 -0.181 0.000 1.220 126 R CA 1.248 57.161 56.100 -0.312 0.000 0.993 126 R CB -1.006 29.046 30.300 -0.414 0.000 0.881 126 R HN 0.138 nan 8.270 nan 0.000 0.450 127 V N 2.525 122.299 119.914 -0.234 0.000 2.255 127 V HA -0.263 3.853 4.120 -0.008 0.000 0.247 127 V C 2.529 178.611 176.094 -0.020 0.000 1.051 127 V CA 1.721 63.950 62.300 -0.118 0.000 1.018 127 V CB -0.631 31.109 31.823 -0.138 0.000 0.641 127 V HN 0.279 nan 8.190 nan 0.000 0.445 128 L N 0.448 121.680 121.223 0.016 0.000 1.987 128 L HA -0.222 4.114 4.340 -0.008 0.000 0.230 128 L C 0.400 177.324 176.870 0.089 0.000 1.089 128 L CA 2.635 57.513 54.840 0.063 0.000 0.802 128 L CB -2.317 39.809 42.059 0.111 0.000 0.905 128 L HN 0.359 nan 8.230 nan 0.000 0.441 129 P HA -0.115 nan 4.420 nan 0.000 0.217 129 P C 1.914 179.415 177.300 0.336 0.000 1.150 129 P CA 1.379 64.634 63.100 0.260 0.000 0.832 129 P CB -0.007 31.820 31.700 0.211 0.000 0.787 130 V N 0.638 120.643 119.914 0.151 0.000 2.261 130 V HA -0.222 3.893 4.120 -0.008 0.000 0.246 130 V C 2.808 178.993 176.094 0.152 0.000 1.047 130 V CA 2.233 64.600 62.300 0.113 0.000 1.015 130 V CB -1.086 30.742 31.823 0.008 0.000 0.642 130 V HN 0.076 nan 8.190 nan 0.000 0.446 131 K N -0.319 120.144 120.400 0.105 0.000 2.001 131 K HA -0.145 4.170 4.320 -0.008 0.000 0.208 131 K C 1.889 178.591 176.600 0.171 0.000 1.048 131 K CA 1.626 57.962 56.287 0.081 0.000 0.932 131 K CB -0.661 31.839 32.500 -0.000 0.000 0.715 131 K HN 0.290 nan 8.250 nan 0.000 0.437 132 F N 0.265 120.225 119.950 0.016 0.000 2.025 132 F HA -0.319 4.203 4.527 -0.007 0.000 0.297 132 F C 1.764 177.610 175.800 0.077 0.000 1.171 132 F CA 2.237 60.248 58.000 0.018 0.000 1.204 132 F CB -0.655 38.186 39.000 -0.265 0.000 0.948 132 F HN 0.054 nan 8.300 nan 0.000 0.512 133 F N 0.656 120.915 119.950 0.515 0.000 2.216 133 F HA -0.044 4.478 4.527 -0.008 0.000 0.300 133 F C 2.589 178.587 175.800 0.330 0.000 1.085 133 F CA 1.182 59.404 58.000 0.370 0.000 1.326 133 F CB -1.585 37.678 39.000 0.438 0.000 1.027 133 F HN 0.142 nan 8.300 nan 0.000 0.497 134 G N -0.064 109.000 108.800 0.440 0.000 2.453 134 G HA2 -0.147 3.808 3.960 -0.008 0.000 0.215 134 G HA3 -0.147 3.808 3.960 -0.008 0.000 0.215 134 G C 2.070 177.108 174.900 0.231 0.000 1.201 134 G CA 0.866 46.151 45.100 0.308 0.000 0.784 134 G HN 0.490 nan 8.290 nan 0.000 0.545 135 G N 0.696 109.621 108.800 0.208 0.000 2.404 135 G HA2 -0.128 3.827 3.960 -0.008 0.000 0.215 135 G HA3 -0.128 3.827 3.960 -0.008 0.000 0.215 135 G C 1.718 176.702 174.900 0.140 0.000 1.174 135 G CA 0.822 46.051 45.100 0.216 0.000 0.780 135 G HN 0.365 nan 8.290 nan 0.000 0.537 136 L N 1.589 122.824 121.223 0.021 0.000 2.386 136 L HA -0.087 4.248 4.340 -0.008 0.000 0.220 136 L C 2.488 179.289 176.870 -0.116 0.000 1.115 136 L CA 1.953 56.602 54.840 -0.319 0.000 0.780 136 L CB -0.404 41.424 42.059 -0.385 0.000 0.902 136 L HN 0.227 nan 8.230 nan 0.000 0.442 137 G N -2.984 105.840 108.800 0.040 0.000 2.556 137 G HA2 -0.102 3.853 3.960 -0.008 0.000 0.209 137 G HA3 -0.102 3.853 3.960 -0.008 0.000 0.209 137 G C 1.445 176.398 174.900 0.087 0.000 1.159 137 G CA 0.644 45.787 45.100 0.072 0.000 0.828 137 G HN 0.444 nan 8.290 nan 0.000 0.553 138 T N 0.235 114.858 114.554 0.115 0.000 2.777 138 T HA 0.059 4.404 4.350 -0.008 0.000 0.266 138 T C 2.292 177.039 174.700 0.078 0.000 1.040 138 T CA 0.572 62.742 62.100 0.116 0.000 1.141 138 T CB -0.231 68.696 68.868 0.098 0.000 0.868 138 T HN -0.020 nan 8.240 nan 0.000 0.444 139 L N 1.603 122.859 121.223 0.055 0.000 2.027 139 L HA 0.097 4.432 4.340 -0.008 0.000 0.206 139 L C 3.111 179.972 176.870 -0.014 0.000 1.074 139 L CA 2.156 57.011 54.840 0.026 0.000 0.745 139 L CB -1.901 40.170 42.059 0.021 0.000 0.898 139 L HN 0.508 nan 8.230 nan 0.000 0.433 140 G N -0.083 108.687 108.800 -0.050 0.000 2.513 140 G HA2 -0.296 3.659 3.960 -0.008 0.000 0.219 140 G HA3 -0.296 3.659 3.960 -0.008 0.000 0.219 140 G C 1.486 176.374 174.900 -0.021 0.000 1.160 140 G CA 0.889 45.960 45.100 -0.049 0.000 0.767 140 G HN 0.508 nan 8.290 nan 0.000 0.571 141 G N -0.087 108.713 108.800 -0.001 0.000 2.586 141 G HA2 0.316 4.271 3.960 -0.008 0.000 0.215 141 G HA3 0.316 4.271 3.960 -0.008 0.000 0.215 141 G C 1.264 176.167 174.900 0.006 0.000 1.128 141 G CA 0.698 45.797 45.100 -0.001 0.000 0.774 141 G HN 1.608 nan 8.290 nan 0.000 0.543 142 G N -0.552 108.257 108.800 0.015 0.000 2.212 142 G HA2 -0.276 3.679 3.960 -0.008 0.000 0.255 142 G HA3 -0.276 3.679 3.960 -0.008 0.000 0.255 142 G C 0.354 175.279 174.900 0.042 0.000 1.062 142 G CA 0.234 45.350 45.100 0.027 0.000 0.815 142 G HN 0.431 nan 8.290 nan 0.000 0.497 143 M N -0.408 119.225 119.600 0.055 0.000 2.226 143 M HA 0.271 4.746 4.480 -0.008 0.000 0.324 143 M C 1.181 177.526 176.300 0.075 0.000 1.112 143 M CA -0.128 55.219 55.300 0.078 0.000 1.176 143 M CB 1.030 33.697 32.600 0.112 0.000 1.430 143 M HN -0.055 nan 8.290 nan 0.000 0.462 144 V N 4.877 124.844 119.914 0.088 0.000 2.055 144 V HA 0.181 4.296 4.120 -0.008 0.000 0.248 144 V C -0.122 176.036 176.094 0.106 0.000 1.476 144 V CA 0.327 62.675 62.300 0.081 0.000 1.417 144 V CB -1.609 30.264 31.823 0.084 0.000 1.465 144 V HN 0.538 nan 8.190 nan 0.000 0.502 145 L N 1.735 123.010 121.223 0.086 0.000 2.424 145 L HA 0.804 5.139 4.340 -0.008 0.000 0.258 145 L C 0.471 177.371 176.870 0.050 0.000 0.995 145 L CA -0.662 54.245 54.840 0.112 0.000 0.821 145 L CB 2.178 44.328 42.059 0.150 0.000 1.383 145 L HN 0.438 nan 8.230 nan 0.000 0.410 146 G N -0.186 108.647 108.800 0.055 0.000 2.412 146 G HA2 0.441 4.396 3.960 -0.008 0.000 0.318 146 G HA3 0.441 4.396 3.960 -0.008 0.000 0.318 146 G C 0.553 175.446 174.900 -0.011 0.000 1.146 146 G CA -0.633 44.459 45.100 -0.012 0.000 0.882 146 G HN 0.820 nan 8.290 nan 0.000 0.501 147 R N 0.280 120.745 120.500 -0.058 0.000 2.339 147 R HA 0.019 4.354 4.340 -0.008 0.000 0.199 147 R C 1.101 177.249 176.300 -0.253 0.000 1.018 147 R CA 0.985 57.054 56.100 -0.052 0.000 1.036 147 R CB 0.013 30.364 30.300 0.084 0.000 0.899 147 R HN 0.510 nan 8.270 nan 0.000 0.473 148 E N 1.946 121.986 120.200 -0.267 0.000 2.007 148 E HA -0.092 4.253 4.350 -0.008 0.000 0.194 148 E C 2.182 178.632 176.600 -0.249 0.000 0.999 148 E CA 1.525 57.728 56.400 -0.328 0.000 0.811 148 E CB -0.829 28.680 29.700 -0.317 0.000 0.762 148 E HN 0.419 nan 8.360 nan 0.000 0.450 149 G N 2.000 110.724 108.800 -0.127 0.000 2.833 149 G HA2 -0.313 3.642 3.960 -0.008 0.000 0.226 149 G HA3 -0.313 3.642 3.960 -0.008 0.000 0.226 149 G C -0.894 173.908 174.900 -0.164 0.000 1.228 149 G CA 1.761 46.817 45.100 -0.073 0.000 0.779 149 G HN 0.273 nan 8.290 nan 0.000 0.651 150 P HA -0.175 nan 4.420 nan 0.000 0.211 150 P C 2.463 179.509 177.300 -0.423 0.000 1.181 150 P CA 3.079 65.936 63.100 -0.405 0.000 0.929 150 P CB -0.643 30.576 31.700 -0.802 0.000 0.789 151 T N -3.128 111.125 114.554 -0.501 0.000 2.833 151 T HA -0.113 4.232 4.350 -0.008 0.000 0.269 151 T C 1.795 176.362 174.700 -0.220 0.000 1.054 151 T CA 1.446 63.330 62.100 -0.360 0.000 1.135 151 T CB -1.491 67.178 68.868 -0.332 0.000 0.869 151 T HN -0.142 nan 8.240 nan 0.000 0.466 152 V N 1.540 121.331 119.914 -0.206 0.000 2.307 152 V HA -0.149 3.967 4.120 -0.008 0.000 0.245 152 V C 2.940 178.980 176.094 -0.090 0.000 1.045 152 V CA 2.080 64.306 62.300 -0.123 0.000 1.024 152 V CB -0.858 30.892 31.823 -0.122 0.000 0.651 152 V HN 0.536 nan 8.190 nan 0.000 0.449 153 Q N -0.181 119.553 119.800 -0.110 0.000 2.016 153 Q HA -0.168 4.167 4.340 -0.008 0.000 0.200 153 Q C 2.285 178.237 176.000 -0.079 0.000 0.978 153 Q CA 2.035 57.785 55.803 -0.087 0.000 0.833 153 Q CB -0.199 28.484 28.738 -0.092 0.000 0.895 153 Q HN 0.612 nan 8.270 nan 0.000 0.427 154 I N 0.569 121.077 120.570 -0.103 0.000 2.145 154 I HA -0.315 3.850 4.170 -0.008 0.000 0.244 154 I C 2.331 178.412 176.117 -0.059 0.000 1.075 154 I CA 1.363 62.620 61.300 -0.072 0.000 1.332 154 I CB -0.829 37.116 38.000 -0.092 0.000 1.033 154 I HN 0.434 nan 8.210 nan 0.000 0.410 155 G N 0.469 109.223 108.800 -0.077 0.000 2.459 155 G HA2 -0.224 3.731 3.960 -0.008 0.000 0.217 155 G HA3 -0.224 3.731 3.960 -0.008 0.000 0.217 155 G C 1.713 176.585 174.900 -0.046 0.000 1.183 155 G CA 0.948 46.012 45.100 -0.060 0.000 0.776 155 G HN 0.513 nan 8.290 nan 0.000 0.552 156 G N 1.115 109.891 108.800 -0.040 0.000 2.476 156 G HA2 -0.296 3.659 3.960 -0.008 0.000 0.218 156 G HA3 -0.296 3.659 3.960 -0.008 0.000 0.218 156 G C 1.762 176.646 174.900 -0.027 0.000 1.164 156 G CA 1.391 46.473 45.100 -0.030 0.000 0.768 156 G HN 0.468 nan 8.290 nan 0.000 0.560 157 N N 0.681 119.369 118.700 -0.019 0.000 2.084 157 N HA -0.053 4.682 4.740 -0.008 0.000 0.190 157 N C 2.148 177.633 175.510 -0.041 0.000 1.030 157 N CA 0.921 53.978 53.050 0.012 0.000 0.849 157 N CB -0.380 38.135 38.487 0.047 0.000 1.012 157 N HN 0.366 nan 8.380 nan 0.000 0.423 158 I N 0.356 120.893 120.570 -0.055 0.000 2.315 158 I HA -0.240 3.926 4.170 -0.008 0.000 0.251 158 I C 2.224 178.259 176.117 -0.137 0.000 1.125 158 I CA 1.351 62.589 61.300 -0.104 0.000 1.392 158 I CB -0.557 37.400 38.000 -0.072 0.000 1.065 158 I HN 0.240 nan 8.210 nan 0.000 0.424 159 G N 0.059 108.801 108.800 -0.097 0.000 2.408 159 G HA2 -0.194 3.761 3.960 -0.008 0.000 0.217 159 G HA3 -0.194 3.761 3.960 -0.008 0.000 0.217 159 G C 1.863 176.702 174.900 -0.103 0.000 1.150 159 G CA 0.165 45.212 45.100 -0.088 0.000 0.776 159 G HN 0.140 nan 8.290 nan 0.000 0.542 160 R N -0.167 120.272 120.500 -0.102 0.000 2.073 160 R HA 0.126 4.461 4.340 -0.008 0.000 0.229 160 R C 2.458 178.582 176.300 -0.293 0.000 1.120 160 R CA 0.915 56.961 56.100 -0.090 0.000 0.967 160 R CB -0.715 29.605 30.300 0.033 0.000 0.862 160 R HN 0.429 nan 8.270 nan 0.000 0.436 161 M N 0.922 120.128 119.600 -0.657 0.000 2.088 161 M HA -0.209 4.266 4.480 -0.008 0.000 0.256 161 M C 2.072 178.032 176.300 -0.567 0.000 1.071 161 M CA 2.460 56.994 55.300 -1.277 0.000 1.097 161 M CB -0.168 31.692 32.600 -1.232 0.000 1.315 161 M HN 0.050 nan 8.290 nan 0.000 0.406 162 V N -1.095 118.660 119.914 -0.265 0.000 2.759 162 V HA -0.176 3.940 4.120 -0.008 0.000 0.256 162 V C 2.182 178.334 176.094 0.096 0.000 1.080 162 V CA 1.366 63.671 62.300 0.007 0.000 1.101 162 V CB -1.320 30.460 31.823 -0.070 0.000 0.698 162 V HN 0.587 nan 8.190 nan 0.000 0.477 163 L N 1.378 122.591 121.223 -0.016 0.000 1.994 163 L HA -0.067 4.268 4.340 -0.008 0.000 0.208 163 L C 2.240 179.164 176.870 0.089 0.000 1.071 163 L CA 2.472 57.331 54.840 0.031 0.000 0.745 163 L CB -0.760 41.301 42.059 0.004 0.000 0.892 163 L HN 0.270 nan 8.230 nan 0.000 0.431 164 D N -0.000 120.437 120.400 0.062 0.000 2.077 164 D HA -0.188 4.447 4.640 -0.008 0.000 0.193 164 D C 2.335 178.689 176.300 0.090 0.000 0.989 164 D CA 1.974 56.042 54.000 0.114 0.000 0.831 164 D CB -0.419 40.521 40.800 0.234 0.000 0.979 164 D HN 0.400 nan 8.370 nan 0.000 0.449 165 I N -0.217 120.375 120.570 0.038 0.000 2.367 165 I HA -0.285 3.880 4.170 -0.008 0.000 0.256 165 I C 1.370 177.349 176.117 -0.231 0.000 1.132 165 I CA 1.216 62.468 61.300 -0.081 0.000 1.397 165 I CB -0.214 37.702 38.000 -0.140 0.000 1.074 165 I HN -0.054 nan 8.210 nan 0.000 0.435 166 F N -0.080 119.858 119.950 -0.020 0.000 2.682 166 F HA 0.295 4.817 4.527 -0.008 0.000 0.308 166 F C 0.596 176.393 175.800 -0.004 0.000 1.093 166 F CA -0.469 57.526 58.000 -0.009 0.000 1.244 166 F CB 0.238 39.234 39.000 -0.007 0.000 1.052 166 F HN -0.184 nan 8.300 nan 0.000 0.573 167 R N 1.699 122.280 120.500 0.134 0.000 2.728 167 R HA -0.177 4.158 4.340 -0.008 0.000 0.283 167 R C -1.237 175.111 176.300 0.080 0.000 0.956 167 R CA 0.169 56.319 56.100 0.084 0.000 0.785 167 R CB -1.887 28.442 30.300 0.048 0.000 2.035 167 R HN 0.298 nan 8.270 nan 0.000 0.510 168 L N 2.843 124.109 121.223 0.071 0.000 2.280 168 L HA 0.328 4.663 4.340 -0.008 0.000 0.287 168 L C 0.559 177.439 176.870 0.017 0.000 1.023 168 L CA -0.548 54.318 54.840 0.043 0.000 0.819 168 L CB 1.499 43.579 42.059 0.035 0.000 1.212 168 L HN 0.221 nan 8.230 nan 0.000 0.420 169 K N 2.099 122.506 120.400 0.010 0.000 2.168 169 K HA 0.704 5.019 4.320 -0.008 0.000 0.258 169 K C 0.199 176.789 176.600 -0.017 0.000 1.010 169 K CA -0.018 56.268 56.287 -0.003 0.000 0.929 169 K CB 1.232 33.732 32.500 0.001 0.000 0.998 169 K HN 0.761 nan 8.250 nan 0.000 0.479 170 G N 1.664 110.445 108.800 -0.032 0.000 2.770 170 G HA2 -0.137 3.818 3.960 -0.008 0.000 0.686 170 G HA3 -0.137 3.818 3.960 -0.008 0.000 0.686 170 G C -0.243 174.600 174.900 -0.094 0.000 1.180 170 G CA -0.781 44.291 45.100 -0.045 0.000 0.767 170 G HN 0.650 nan 8.290 nan 0.000 0.646 171 D N 0.058 120.387 120.400 -0.118 0.000 2.178 171 D HA -0.081 4.555 4.640 -0.008 0.000 0.201 171 D C 1.963 178.133 176.300 -0.215 0.000 0.980 171 D CA 1.429 55.279 54.000 -0.250 0.000 0.842 171 D CB 0.138 40.847 40.800 -0.151 0.000 0.948 171 D HN 0.710 nan 8.370 nan 0.000 0.472 172 E N 0.627 120.781 120.200 -0.076 0.000 2.005 172 E HA -0.214 4.131 4.350 -0.008 0.000 0.198 172 E C 2.059 178.637 176.600 -0.036 0.000 1.010 172 E CA 1.223 57.606 56.400 -0.028 0.000 0.825 172 E CB -0.025 29.669 29.700 -0.009 0.000 0.769 172 E HN 0.134 nan 8.360 nan 0.000 0.456 173 A N 1.480 124.274 122.820 -0.043 0.000 1.884 173 A HA -0.289 4.026 4.320 -0.008 0.000 0.219 173 A C 2.227 179.784 177.584 -0.044 0.000 1.197 173 A CA 2.103 54.119 52.037 -0.035 0.000 0.637 173 A CB -0.771 18.213 19.000 -0.027 0.000 0.827 173 A HN 0.295 nan 8.150 nan 0.000 0.450 174 R N -1.324 119.121 120.500 -0.092 0.000 2.070 174 R HA -0.188 4.147 4.340 -0.008 0.000 0.233 174 R C 2.155 178.437 176.300 -0.030 0.000 1.137 174 R CA 2.071 58.114 56.100 -0.095 0.000 0.945 174 R CB -0.483 29.708 30.300 -0.182 0.000 0.845 174 R HN 0.805 nan 8.270 nan 0.000 0.430 175 H N -1.348 117.705 119.070 -0.028 0.000 2.357 175 H HA -0.050 4.501 4.556 -0.008 0.000 0.301 175 H C 2.077 177.374 175.328 -0.052 0.000 1.082 175 H CA 1.493 57.514 56.048 -0.045 0.000 1.342 175 H CB 0.101 29.828 29.762 -0.058 0.000 1.389 175 H HN 0.241 nan 8.280 nan 0.000 0.511 176 T N 0.955 115.555 114.554 0.076 0.000 2.643 176 T HA -0.128 4.217 4.350 -0.008 0.000 0.264 176 T C 2.099 176.803 174.700 0.006 0.000 1.045 176 T CA 1.025 63.138 62.100 0.022 0.000 1.155 176 T CB -0.338 68.533 68.868 0.005 0.000 0.863 176 T HN 0.192 nan 8.240 nan 0.000 0.420 177 L N 0.609 121.829 121.223 -0.005 0.000 2.265 177 L HA -0.057 4.278 4.340 -0.008 0.000 0.215 177 L C 2.363 179.221 176.870 -0.020 0.000 1.117 177 L CA 0.577 55.403 54.840 -0.023 0.000 0.782 177 L CB -0.451 41.584 42.059 -0.040 0.000 0.914 177 L HN 0.238 nan 8.230 nan 0.000 0.441 178 L N -0.233 120.991 121.223 0.001 0.000 2.068 178 L HA -0.026 4.309 4.340 -0.008 0.000 0.204 178 L C 2.631 179.494 176.870 -0.011 0.000 1.076 178 L CA 1.780 56.621 54.840 0.002 0.000 0.753 178 L CB -0.511 41.568 42.059 0.033 0.000 0.910 178 L HN 0.084 nan 8.230 nan 0.000 0.439 179 A N -0.706 122.106 122.820 -0.014 0.000 1.845 179 A HA -0.265 4.050 4.320 -0.008 0.000 0.215 179 A C 2.440 180.013 177.584 -0.018 0.000 1.195 179 A CA 2.655 54.671 52.037 -0.036 0.000 0.616 179 A CB -1.608 17.362 19.000 -0.050 0.000 0.832 179 A HN 0.605 nan 8.150 nan 0.000 0.443 180 T N -1.894 112.654 114.554 -0.010 0.000 2.849 180 T HA 0.011 4.357 4.350 -0.008 0.000 0.270 180 T C 1.782 176.475 174.700 -0.011 0.000 1.066 180 T CA 1.960 64.058 62.100 -0.003 0.000 1.130 180 T CB -0.745 68.121 68.868 -0.004 0.000 0.864 180 T HN 0.454 nan 8.240 nan 0.000 0.481 181 G N 1.046 109.833 108.800 -0.021 0.000 2.414 181 G HA2 0.097 4.052 3.960 -0.008 0.000 0.215 181 G HA3 0.097 4.052 3.960 -0.008 0.000 0.215 181 G C 2.014 176.904 174.900 -0.015 0.000 1.188 181 G CA 0.823 45.906 45.100 -0.028 0.000 0.783 181 G HN 0.746 nan 8.290 nan 0.000 0.537 182 A N 1.033 123.852 122.820 -0.001 0.000 1.978 182 A HA 0.199 4.514 4.320 -0.008 0.000 0.220 182 A C 2.735 180.373 177.584 0.091 0.000 1.170 182 A CA 2.393 54.452 52.037 0.037 0.000 0.636 182 A CB -0.688 18.337 19.000 0.042 0.000 0.810 182 A HN 0.750 nan 8.150 nan 0.000 0.448 183 A N -0.119 122.745 122.820 0.073 0.000 1.826 183 A HA 0.237 4.552 4.320 -0.008 0.000 0.214 183 A C 2.544 180.152 177.584 0.040 0.000 1.212 183 A CA 2.013 54.108 52.037 0.096 0.000 0.605 183 A CB -1.387 17.650 19.000 0.062 0.000 0.861 183 A HN 1.224 nan 8.150 nan 0.000 0.447 184 A N -0.574 122.248 122.820 0.004 0.000 2.042 184 A HA -0.023 4.292 4.320 -0.008 0.000 0.222 184 A C 2.304 179.866 177.584 -0.036 0.000 1.167 184 A CA 2.264 54.289 52.037 -0.020 0.000 0.649 184 A CB -1.418 17.567 19.000 -0.025 0.000 0.809 184 A HN 0.830 nan 8.150 nan 0.000 0.457 185 G N -0.408 108.369 108.800 -0.039 0.000 2.414 185 G HA2 -0.112 3.843 3.960 -0.008 0.000 0.215 185 G HA3 -0.112 3.843 3.960 -0.008 0.000 0.215 185 G C 1.505 176.332 174.900 -0.122 0.000 1.188 185 G CA 1.047 46.098 45.100 -0.081 0.000 0.783 185 G HN 0.521 nan 8.290 nan 0.000 0.537 186 L N 1.142 122.312 121.223 -0.087 0.000 2.046 186 L HA 0.137 4.472 4.340 -0.008 0.000 0.208 186 L C 3.154 180.001 176.870 -0.038 0.000 1.077 186 L CA 2.043 56.815 54.840 -0.113 0.000 0.747 186 L CB -0.494 41.493 42.059 -0.119 0.000 0.896 186 L HN 0.256 nan 8.230 nan 0.000 0.432 187 A N -0.098 122.708 122.820 -0.024 0.000 1.849 187 A HA -0.266 4.049 4.320 -0.008 0.000 0.217 187 A C 2.429 179.933 177.584 -0.133 0.000 1.202 187 A CA 2.299 54.312 52.037 -0.040 0.000 0.629 187 A CB -1.479 17.494 19.000 -0.045 0.000 0.834 187 A HN 0.572 nan 8.150 nan 0.000 0.447 188 A N -0.774 121.954 122.820 -0.153 0.000 2.125 188 A HA 0.208 4.523 4.320 -0.008 0.000 0.219 188 A C 2.288 179.654 177.584 -0.362 0.000 1.156 188 A CA 1.892 53.789 52.037 -0.232 0.000 0.671 188 A CB -0.762 18.207 19.000 -0.053 0.000 0.794 188 A HN 1.142 nan 8.150 nan 0.000 0.459 189 A N -2.045 120.568 122.820 -0.345 0.000 2.067 189 A HA 0.296 4.611 4.320 -0.008 0.000 0.217 189 A C 1.406 178.597 177.584 -0.654 0.000 1.156 189 A CA 0.976 52.705 52.037 -0.515 0.000 0.683 189 A CB -0.316 18.267 19.000 -0.694 0.000 0.808 189 A HN 0.524 nan 8.150 nan 0.000 0.455 190 F N -2.024 117.808 119.950 -0.197 0.000 2.798 190 F HA 0.258 4.780 4.527 -0.009 0.000 0.328 190 F C 0.764 176.404 175.800 -0.267 0.000 1.098 190 F CA -0.232 57.675 58.000 -0.154 0.000 1.172 190 F CB 0.504 39.459 39.000 -0.074 0.000 1.072 190 F HN 0.161 nan 8.300 nan 0.000 0.555 191 N N 2.014 120.504 118.700 -0.350 0.000 2.727 191 N HA -0.223 4.512 4.740 -0.008 0.000 0.249 191 N C -0.452 175.006 175.510 -0.087 0.000 1.048 191 N CA 0.764 53.622 53.050 -0.320 0.000 0.714 191 N CB -0.838 37.528 38.487 -0.201 0.000 0.959 191 N HN 0.345 nan 8.380 nan 0.000 0.544 192 A N 0.273 123.070 122.820 -0.038 0.000 3.064 192 A HA 0.491 4.806 4.320 -0.008 0.000 0.339 192 A C -1.131 176.435 177.584 -0.031 0.000 1.078 192 A CA -0.937 51.092 52.037 -0.014 0.000 0.869 192 A CB 0.929 19.940 19.000 0.017 0.000 1.067 192 A HN 0.149 nan 8.150 nan 0.000 0.480 193 P HA -0.260 nan 4.420 nan 0.000 0.213 193 P C 1.683 178.923 177.300 -0.101 0.000 1.176 193 P CA 1.222 64.267 63.100 -0.092 0.000 0.919 193 P CB 0.046 31.675 31.700 -0.119 0.000 0.791 194 L N -1.087 120.079 121.223 -0.095 0.000 2.043 194 L HA -0.217 4.118 4.340 -0.008 0.000 0.212 194 L C 2.719 179.579 176.870 -0.017 0.000 1.075 194 L CA 1.854 56.651 54.840 -0.072 0.000 0.752 194 L CB -1.366 40.661 42.059 -0.053 0.000 0.891 194 L HN -0.026 nan 8.230 nan 0.000 0.432 195 A N 0.496 123.310 122.820 -0.010 0.000 1.883 195 A HA -0.161 4.154 4.320 -0.008 0.000 0.217 195 A C 2.406 180.042 177.584 0.087 0.000 1.186 195 A CA 1.901 53.952 52.037 0.022 0.000 0.624 195 A CB -1.343 17.644 19.000 -0.022 0.000 0.822 195 A HN 0.452 nan 8.150 nan 0.000 0.444 196 G N 0.292 109.131 108.800 0.065 0.000 2.587 196 G HA2 -0.286 3.670 3.960 -0.008 0.000 0.217 196 G HA3 -0.286 3.670 3.960 -0.008 0.000 0.217 196 G C 1.524 176.510 174.900 0.143 0.000 1.240 196 G CA 1.359 46.523 45.100 0.108 0.000 0.794 196 G HN 0.497 nan 8.290 nan 0.000 0.580 197 I N 0.348 120.951 120.570 0.055 0.000 2.113 197 I HA -0.195 3.970 4.170 -0.008 0.000 0.242 197 I C 2.694 178.878 176.117 0.112 0.000 1.064 197 I CA 0.756 62.095 61.300 0.065 0.000 1.320 197 I CB -0.372 37.627 38.000 -0.001 0.000 1.028 197 I HN 0.074 nan 8.210 nan 0.000 0.406 198 L N -0.119 121.172 121.223 0.114 0.000 2.127 198 L HA -0.243 4.092 4.340 -0.008 0.000 0.211 198 L C 2.533 179.525 176.870 0.202 0.000 1.089 198 L CA 1.899 56.818 54.840 0.131 0.000 0.757 198 L CB -1.209 40.911 42.059 0.103 0.000 0.899 198 L HN 0.270 nan 8.230 nan 0.000 0.434 199 F N 0.872 120.866 119.950 0.073 0.000 2.069 199 F HA -0.280 4.243 4.527 -0.007 0.000 0.298 199 F C 2.393 178.272 175.800 0.131 0.000 1.113 199 F CA 1.351 59.421 58.000 0.116 0.000 1.214 199 F CB -0.351 38.706 39.000 0.095 0.000 0.978 199 F HN -0.063 nan 8.300 nan 0.000 0.474 200 I N 1.664 122.176 120.570 -0.097 0.000 2.052 200 I HA -0.312 3.853 4.170 -0.008 0.000 0.235 200 I C 2.786 178.836 176.117 -0.110 0.000 1.046 200 I CA 2.180 63.361 61.300 -0.199 0.000 1.308 200 I CB -1.782 36.170 38.000 -0.079 0.000 1.031 200 I HN 0.397 nan 8.210 nan 0.000 0.395 201 I N -1.359 119.204 120.570 -0.012 0.000 2.361 201 I HA -0.207 3.959 4.170 -0.008 0.000 0.251 201 I C 2.375 178.505 176.117 0.022 0.000 1.133 201 I CA 1.746 63.049 61.300 0.005 0.000 1.413 201 I CB -0.506 37.519 38.000 0.041 0.000 1.073 201 I HN 0.322 nan 8.210 nan 0.000 0.424 202 E N 0.212 120.450 120.200 0.064 0.000 2.076 202 E HA -0.243 4.102 4.350 -0.008 0.000 0.190 202 E C 1.966 178.641 176.600 0.125 0.000 0.979 202 E CA 1.176 57.634 56.400 0.098 0.000 0.807 202 E CB -0.005 29.777 29.700 0.136 0.000 0.761 202 E HN 0.754 nan 8.360 nan 0.000 0.454 203 H N -1.537 117.523 119.070 -0.017 0.000 2.179 203 H HA 0.065 4.616 4.556 -0.008 0.000 0.246 203 H C 1.820 177.067 175.328 -0.135 0.000 0.904 203 H CA 0.074 56.113 56.048 -0.016 0.000 1.113 203 H CB 0.313 30.148 29.762 0.121 0.000 1.396 203 H HN 0.095 nan 8.280 nan 0.000 0.484 204 M N 2.060 121.415 119.600 -0.409 0.000 2.394 204 M HA 0.038 4.513 4.480 -0.008 0.000 0.264 204 M C 0.879 176.967 176.300 -0.354 0.000 1.073 204 M CA 0.536 55.507 55.300 -0.548 0.000 1.111 204 M CB -1.044 31.053 32.600 -0.839 0.000 1.401 204 M HN 0.040 nan 8.290 nan 0.000 0.448 205 R N 1.337 121.682 120.500 -0.258 0.000 2.583 205 R HA -0.012 4.323 4.340 -0.008 0.000 0.274 205 R C -2.109 174.081 176.300 -0.184 0.000 0.998 205 R CA -1.084 54.898 56.100 -0.196 0.000 1.081 205 R CB 0.071 30.290 30.300 -0.136 0.000 0.940 205 R HN 0.014 nan 8.270 nan 0.000 0.413 206 P HA -0.056 nan 4.420 nan 0.000 0.254 206 P C -0.905 176.388 177.300 -0.011 0.000 1.467 206 P CA 0.509 63.539 63.100 -0.117 0.000 1.281 206 P CB 0.199 31.797 31.700 -0.169 0.000 1.754 207 Q N 1.629 121.447 119.800 0.031 0.000 2.945 207 Q HA 0.149 4.484 4.340 -0.008 0.000 0.323 207 Q C 0.077 176.177 176.000 0.167 0.000 1.188 207 Q CA 0.300 56.141 55.803 0.063 0.000 0.929 207 Q CB -0.318 28.427 28.738 0.012 0.000 1.531 207 Q HN 0.426 nan 8.270 nan 0.000 0.444 208 F N 0.146 120.075 119.950 -0.035 0.000 2.747 208 F HA 0.181 4.703 4.527 -0.008 0.000 0.305 208 F C 1.064 176.867 175.800 0.004 0.000 1.065 208 F CA 0.053 58.044 58.000 -0.014 0.000 1.230 208 F CB 0.822 39.811 39.000 -0.018 0.000 1.027 208 F HN 0.146 nan 8.300 nan 0.000 0.607 209 R N -1.808 118.789 120.500 0.161 0.000 2.810 209 R HA 0.211 4.546 4.340 -0.008 0.000 0.266 209 R C -1.183 175.200 176.300 0.137 0.000 1.061 209 R CA -0.560 55.616 56.100 0.126 0.000 0.943 209 R CB 0.427 30.802 30.300 0.126 0.000 1.237 209 R HN -0.080 nan 8.270 nan 0.000 0.459 210 Y N 1.274 121.582 120.300 0.013 0.000 2.394 210 Y HA 0.181 4.726 4.550 -0.008 0.000 0.351 210 Y C 0.144 176.046 175.900 0.004 0.000 1.272 210 Y CA 1.420 59.523 58.100 0.005 0.000 1.508 210 Y CB 0.655 39.120 38.460 0.008 0.000 1.369 210 Y HN 0.804 nan 8.280 nan 0.000 0.639 211 T N 0.249 114.394 114.554 -0.682 0.000 2.865 211 T HA 0.492 4.837 4.350 -0.008 0.000 0.294 211 T C -0.546 173.848 174.700 -0.510 0.000 1.119 211 T CA -0.906 60.919 62.100 -0.459 0.000 1.007 211 T CB 1.238 69.880 68.868 -0.378 0.000 1.225 211 T HN 0.350 nan 8.240 nan 0.000 0.515 212 L N 0.227 121.344 121.223 -0.176 0.000 2.818 212 L HA 0.449 4.784 4.340 -0.008 0.000 0.243 212 L C 0.259 177.084 176.870 -0.076 0.000 1.185 212 L CA -0.060 54.724 54.840 -0.093 0.000 0.988 212 L CB -0.585 41.484 42.059 0.017 0.000 1.292 212 L HN 0.580 nan 8.230 nan 0.000 0.519 213 I N 0.362 120.855 120.570 -0.129 0.000 2.680 213 I HA -0.057 4.108 4.170 -0.008 0.000 0.286 213 I C 0.984 177.059 176.117 -0.071 0.000 1.144 213 I CA 0.308 61.559 61.300 -0.083 0.000 1.370 213 I CB 0.247 38.182 38.000 -0.109 0.000 1.420 213 I HN 0.169 nan 8.210 nan 0.000 0.540 214 S N 6.648 122.328 115.700 -0.032 0.000 2.430 214 S HA 0.258 4.723 4.470 -0.008 0.000 0.282 214 S C 1.137 175.733 174.600 -0.006 0.000 1.186 214 S CA -0.542 57.647 58.200 -0.019 0.000 1.060 214 S CB 0.351 63.546 63.200 -0.008 0.000 0.966 214 S HN 0.544 nan 8.310 nan 0.000 0.501 215 I N 4.952 125.516 120.570 -0.010 0.000 2.315 215 I HA -0.106 4.059 4.170 -0.008 0.000 0.248 215 I C 2.547 178.672 176.117 0.013 0.000 1.117 215 I CA 0.987 62.298 61.300 0.018 0.000 1.404 215 I CB -0.139 37.864 38.000 0.006 0.000 1.071 215 I HN 0.680 nan 8.210 nan 0.000 0.419 216 K N 0.938 121.297 120.400 -0.068 0.000 2.152 216 K HA -0.213 4.103 4.320 -0.008 0.000 0.206 216 K C 2.088 178.707 176.600 0.031 0.000 1.048 216 K CA 1.429 57.655 56.287 -0.102 0.000 0.933 216 K CB -0.032 32.405 32.500 -0.105 0.000 0.721 216 K HN 0.349 nan 8.250 nan 0.000 0.447 217 A N 0.416 123.258 122.820 0.037 0.000 1.854 217 A HA -0.079 4.237 4.320 -0.008 0.000 0.214 217 A C 2.166 179.797 177.584 0.079 0.000 1.192 217 A CA 1.310 53.373 52.037 0.044 0.000 0.611 217 A CB -0.664 18.345 19.000 0.016 0.000 0.832 217 A HN 0.111 nan 8.150 nan 0.000 0.442 218 V N -0.690 119.277 119.914 0.089 0.000 2.277 218 V HA -0.355 3.760 4.120 -0.008 0.000 0.253 218 V C 2.277 178.458 176.094 0.145 0.000 1.067 218 V CA 2.516 64.876 62.300 0.100 0.000 1.047 218 V CB -1.181 30.706 31.823 0.106 0.000 0.649 218 V HN 0.504 nan 8.190 nan 0.000 0.447 219 F N 0.045 119.989 119.950 -0.011 0.000 2.015 219 F HA -0.239 4.283 4.527 -0.008 0.000 0.297 219 F C 2.273 178.062 175.800 -0.017 0.000 1.141 219 F CA 2.171 60.166 58.000 -0.009 0.000 1.192 219 F CB -0.667 38.328 39.000 -0.009 0.000 0.957 219 F HN 0.040 nan 8.300 nan 0.000 0.491 220 I N -0.527 120.161 120.570 0.198 0.000 2.194 220 I HA -0.312 3.853 4.170 -0.008 0.000 0.246 220 I C 2.695 178.815 176.117 0.005 0.000 1.093 220 I CA 1.463 62.807 61.300 0.072 0.000 1.355 220 I CB -1.505 36.515 38.000 0.034 0.000 1.046 220 I HN 0.275 nan 8.210 nan 0.000 0.413 221 G N 1.022 109.825 108.800 0.004 0.000 2.511 221 G HA2 -0.216 3.739 3.960 -0.008 0.000 0.216 221 G HA3 -0.216 3.739 3.960 -0.008 0.000 0.216 221 G C 1.712 176.594 174.900 -0.030 0.000 1.218 221 G CA 1.175 46.261 45.100 -0.023 0.000 0.788 221 G HN 0.242 nan 8.290 nan 0.000 0.560 222 V N 1.381 121.274 119.914 -0.035 0.000 2.282 222 V HA -0.234 3.881 4.120 -0.008 0.000 0.249 222 V C 2.839 178.889 176.094 -0.073 0.000 1.057 222 V CA 1.898 64.159 62.300 -0.065 0.000 1.032 222 V CB -0.526 31.231 31.823 -0.111 0.000 0.645 222 V HN 0.425 nan 8.190 nan 0.000 0.447 223 I N -0.980 119.539 120.570 -0.085 0.000 2.091 223 I HA -0.341 3.824 4.170 -0.008 0.000 0.239 223 I C 2.642 178.741 176.117 -0.030 0.000 1.061 223 I CA 1.714 62.977 61.300 -0.063 0.000 1.317 223 I CB -0.487 37.490 38.000 -0.038 0.000 1.031 223 I HN 0.263 nan 8.210 nan 0.000 0.401 224 M N 0.245 119.827 119.600 -0.030 0.000 2.082 224 M HA -0.232 4.243 4.480 -0.008 0.000 0.258 224 M C 2.624 178.924 176.300 -0.001 0.000 1.069 224 M CA 2.011 57.295 55.300 -0.025 0.000 1.102 224 M CB -1.660 30.909 32.600 -0.051 0.000 1.336 224 M HN 0.328 nan 8.290 nan 0.000 0.404 225 S N -0.377 115.322 115.700 -0.003 0.000 2.353 225 S HA -0.157 4.308 4.470 -0.008 0.000 0.222 225 S C 1.950 176.589 174.600 0.064 0.000 1.035 225 S CA 2.250 60.463 58.200 0.022 0.000 1.025 225 S CB -0.367 62.831 63.200 -0.003 0.000 0.902 225 S HN 0.556 nan 8.310 nan 0.000 0.440 226 T N 2.421 116.996 114.554 0.036 0.000 2.720 226 T HA -0.043 4.302 4.350 -0.008 0.000 0.268 226 T C 1.736 176.506 174.700 0.117 0.000 1.037 226 T CA 1.705 63.844 62.100 0.066 0.000 1.144 226 T CB -0.483 68.389 68.868 0.006 0.000 0.864 226 T HN 0.437 nan 8.240 nan 0.000 0.444 227 I N 0.709 121.318 120.570 0.063 0.000 2.142 227 I HA -0.187 3.978 4.170 -0.008 0.000 0.240 227 I C 2.551 178.712 176.117 0.074 0.000 1.078 227 I CA 1.031 62.360 61.300 0.047 0.000 1.343 227 I CB -0.398 37.608 38.000 0.010 0.000 1.046 227 I HN 0.159 nan 8.210 nan 0.000 0.405 228 M N -0.335 119.328 119.600 0.106 0.000 2.106 228 M HA -0.283 4.192 4.480 -0.008 0.000 0.259 228 M C 2.493 178.956 176.300 0.270 0.000 1.068 228 M CA 1.994 57.402 55.300 0.181 0.000 1.100 228 M CB -1.529 31.159 32.600 0.146 0.000 1.351 228 M HN 0.307 nan 8.290 nan 0.000 0.404 229 Y N 0.964 121.332 120.300 0.114 0.000 2.181 229 Y HA -0.168 4.377 4.550 -0.009 0.000 0.288 229 Y C 2.402 178.379 175.900 0.129 0.000 1.146 229 Y CA 1.762 59.935 58.100 0.123 0.000 1.164 229 Y CB -0.135 38.365 38.460 0.067 0.000 0.982 229 Y HN 0.141 nan 8.280 nan 0.000 0.515 230 R N -0.273 120.306 120.500 0.131 0.000 2.193 230 R HA -0.061 4.274 4.340 -0.008 0.000 0.213 230 R C 1.926 178.035 176.300 -0.318 0.000 1.055 230 R CA 0.903 56.996 56.100 -0.010 0.000 0.995 230 R CB -0.120 30.236 30.300 0.093 0.000 0.893 230 R HN 0.379 nan 8.270 nan 0.000 0.459 231 I N 0.167 120.572 120.570 -0.275 0.000 2.361 231 I HA -0.229 3.936 4.170 -0.008 0.000 0.251 231 I C 1.409 177.024 176.117 -0.835 0.000 1.133 231 I CA 1.745 62.695 61.300 -0.582 0.000 1.413 231 I CB -0.568 37.094 38.000 -0.564 0.000 1.073 231 I HN 0.026 nan 8.210 nan 0.000 0.424 232 F N 0.562 120.322 119.950 -0.316 0.000 2.376 232 F HA 0.192 4.714 4.527 -0.008 0.000 0.234 232 F C 1.152 176.829 175.800 -0.204 0.000 1.010 232 F CA -0.343 57.521 58.000 -0.226 0.000 1.100 232 F CB -0.841 38.056 39.000 -0.172 0.000 1.360 232 F HN -0.132 nan 8.300 nan 0.000 0.649 233 N N 1.888 120.487 118.700 -0.170 0.000 2.744 233 N HA 0.049 4.784 4.740 -0.008 0.000 0.290 233 N C -0.737 174.648 175.510 -0.208 0.000 1.206 233 N CA 0.240 53.123 53.050 -0.279 0.000 1.119 233 N CB -1.147 37.029 38.487 -0.519 0.000 1.449 233 N HN 0.721 nan 8.380 nan 0.000 0.514 234 H N -1.845 117.140 119.070 -0.142 0.000 3.048 234 H HA 0.449 5.000 4.556 -0.008 0.000 0.296 234 H C 0.089 175.408 175.328 -0.016 0.000 1.508 234 H CA -0.747 55.270 56.048 -0.051 0.000 1.250 234 H CB 1.218 30.952 29.762 -0.048 0.000 1.896 234 H HN -0.059 nan 8.280 nan 0.000 0.604 235 E N -1.750 118.257 120.200 -0.322 0.000 3.912 235 E HA -0.176 4.169 4.350 -0.008 0.000 0.335 235 E C -0.610 175.922 176.600 -0.114 0.000 0.654 235 E CA 1.304 57.519 56.400 -0.309 0.000 1.177 235 E CB -1.544 27.883 29.700 -0.455 0.000 1.650 235 E HN 0.376 nan 8.360 nan 0.000 0.430 236 V N -0.405 119.485 119.914 -0.040 0.000 2.789 236 V HA 0.785 4.900 4.120 -0.008 0.000 0.311 236 V C 0.181 176.303 176.094 0.047 0.000 1.073 236 V CA -0.425 61.877 62.300 0.004 0.000 0.921 236 V CB 2.070 33.901 31.823 0.013 0.000 1.009 236 V HN 0.265 nan 8.190 nan 0.000 0.426 237 A N 2.837 125.677 122.820 0.032 0.000 2.282 237 A HA 0.789 5.104 4.320 -0.008 0.000 0.319 237 A C 0.757 178.349 177.584 0.015 0.000 1.121 237 A CA -0.554 51.502 52.037 0.032 0.000 0.836 237 A CB 0.760 19.761 19.000 0.002 0.000 1.146 237 A HN 0.898 nan 8.150 nan 0.000 0.494 238 L N 0.544 121.753 121.223 -0.024 0.000 2.109 238 L HA 0.112 4.447 4.340 -0.008 0.000 0.207 238 L C 0.072 176.822 176.870 -0.201 0.000 1.086 238 L CA 1.149 55.919 54.840 -0.117 0.000 0.760 238 L CB -0.259 41.642 42.059 -0.265 0.000 0.910 238 L HN 0.537 nan 8.230 nan 0.000 0.437 239 I N -0.370 120.087 120.570 -0.188 0.000 2.447 239 I HA 0.222 4.387 4.170 -0.008 0.000 0.287 239 I C -1.193 174.885 176.117 -0.066 0.000 1.023 239 I CA -0.547 60.669 61.300 -0.139 0.000 1.083 239 I CB 2.082 39.970 38.000 -0.186 0.000 1.245 239 I HN -0.137 nan 8.210 nan 0.000 0.434 240 D N 5.447 125.829 120.400 -0.030 0.000 2.308 240 D HA 0.418 5.054 4.640 -0.008 0.000 0.242 240 D C -0.076 176.219 176.300 -0.008 0.000 1.059 240 D CA -0.209 53.781 54.000 -0.017 0.000 0.830 240 D CB 2.487 43.282 40.800 -0.008 0.000 1.161 240 D HN 0.214 nan 8.370 nan 0.000 0.494 241 V N 2.291 122.200 119.914 -0.008 0.000 3.485 241 V HA 0.362 4.477 4.120 -0.008 0.000 0.280 241 V C 1.031 177.126 176.094 0.001 0.000 1.495 241 V CA 0.513 62.813 62.300 -0.000 0.000 1.018 241 V CB -0.048 31.774 31.823 -0.002 0.000 0.818 241 V HN 0.916 nan 8.190 nan 0.000 0.436 242 G N 1.591 110.389 108.800 -0.003 0.000 2.888 242 G HA2 -0.287 3.668 3.960 -0.008 0.000 0.441 242 G HA3 -0.287 3.668 3.960 -0.008 0.000 0.441 242 G C -0.330 174.569 174.900 -0.001 0.000 1.461 242 G CA 0.102 45.201 45.100 -0.001 0.000 0.897 242 G HN 0.444 nan 8.290 nan 0.000 0.547 243 K N 0.712 121.112 120.400 0.000 0.000 2.262 243 K HA 0.459 4.774 4.320 -0.008 0.000 0.288 243 K C 1.305 177.906 176.600 0.002 0.000 1.090 243 K CA -0.563 55.724 56.287 -0.000 0.000 0.918 243 K CB -0.001 32.500 32.500 0.001 0.000 1.139 243 K HN 0.439 nan 8.250 nan 0.000 0.462 244 L N 2.368 123.591 121.223 -0.000 0.000 2.444 244 L HA 0.057 4.392 4.340 -0.008 0.000 0.251 244 L C 0.949 177.820 176.870 0.002 0.000 1.247 244 L CA 0.393 55.236 54.840 0.006 0.000 0.825 244 L CB 0.404 42.464 42.059 0.002 0.000 1.129 244 L HN 0.896 nan 8.230 nan 0.000 0.527 245 S N -0.483 115.225 115.700 0.014 0.000 2.640 245 S HA 0.198 4.663 4.470 -0.008 0.000 0.262 245 S C -0.341 174.253 174.600 -0.011 0.000 1.232 245 S CA -0.836 57.371 58.200 0.013 0.000 0.988 245 S CB 0.943 64.168 63.200 0.041 0.000 1.034 245 S HN 0.486 nan 8.310 nan 0.000 0.569 246 D N 0.073 120.467 120.400 -0.010 0.000 2.466 246 D HA 0.673 5.308 4.640 -0.008 0.000 0.262 246 D C -0.603 175.677 176.300 -0.032 0.000 1.177 246 D CA -0.161 53.815 54.000 -0.039 0.000 1.035 246 D CB 0.808 41.588 40.800 -0.034 0.000 1.105 246 D HN 0.820 nan 8.370 nan 0.000 0.551 247 A N 0.871 123.652 122.820 -0.065 0.000 2.466 247 A HA 0.553 4.868 4.320 -0.008 0.000 0.291 247 A C -2.530 175.033 177.584 -0.034 0.000 1.234 247 A CA -1.265 50.746 52.037 -0.045 0.000 0.752 247 A CB 0.452 19.376 19.000 -0.127 0.000 1.153 247 A HN 0.274 nan 8.150 nan 0.000 0.458 248 P HA 0.184 nan 4.420 nan 0.000 0.268 248 P C 1.089 178.383 177.300 -0.010 0.000 1.204 248 P CA -0.313 62.788 63.100 0.003 0.000 0.768 248 P CB 0.629 32.351 31.700 0.037 0.000 0.842 249 L N 1.809 123.032 121.223 -0.000 0.000 2.064 249 L HA -0.277 4.058 4.340 -0.008 0.000 0.216 249 L C 1.992 178.880 176.870 0.030 0.000 1.077 249 L CA 1.884 56.731 54.840 0.011 0.000 0.766 249 L CB -0.858 41.210 42.059 0.016 0.000 0.890 249 L HN 0.551 nan 8.230 nan 0.000 0.435 250 N N -1.807 116.910 118.700 0.028 0.000 2.626 250 N HA -0.139 4.596 4.740 -0.008 0.000 0.193 250 N C 1.254 176.702 175.510 -0.104 0.000 1.213 250 N CA 1.312 54.393 53.050 0.052 0.000 0.914 250 N CB -0.131 38.430 38.487 0.124 0.000 0.994 250 N HN 0.179 nan 8.380 nan 0.000 0.447 251 T N -0.212 114.227 114.554 -0.190 0.000 2.971 251 T HA 0.328 4.673 4.350 -0.008 0.000 0.252 251 T C 1.641 176.179 174.700 -0.271 0.000 1.022 251 T CA -0.326 61.499 62.100 -0.460 0.000 0.980 251 T CB 0.129 68.802 68.868 -0.325 0.000 1.044 251 T HN 0.078 nan 8.240 nan 0.000 0.501 252 L N 1.344 122.577 121.223 0.015 0.000 2.079 252 L HA -0.085 4.250 4.340 -0.008 0.000 0.210 252 L C 2.715 179.663 176.870 0.130 0.000 1.081 252 L CA 1.573 56.508 54.840 0.158 0.000 0.752 252 L CB -0.645 41.476 42.059 0.104 0.000 0.896 252 L HN 0.584 nan 8.230 nan 0.000 0.433 253 W N 0.528 121.828 121.300 -0.001 0.000 2.364 253 W HA -0.190 4.466 4.660 -0.007 0.000 0.281 253 W C 1.673 178.209 176.519 0.027 0.000 1.219 253 W CA 0.651 58.000 57.345 0.007 0.000 1.220 253 W CB -1.192 28.256 29.460 -0.020 0.000 1.127 253 W HN 0.181 nan 8.180 nan 0.000 0.556 254 L N -0.196 120.508 121.223 -0.865 0.000 2.201 254 L HA -0.199 4.136 4.340 -0.008 0.000 0.212 254 L C 2.520 179.271 176.870 -0.198 0.000 1.105 254 L CA 1.396 55.830 54.840 -0.677 0.000 0.775 254 L CB -0.858 40.738 42.059 -0.771 0.000 0.913 254 L HN -0.117 nan 8.230 nan 0.000 0.440 255 Y N -1.062 119.214 120.300 -0.040 0.000 2.286 255 Y HA -0.186 4.360 4.550 -0.008 0.000 0.293 255 Y C 2.282 178.138 175.900 -0.073 0.000 1.124 255 Y CA 0.547 58.605 58.100 -0.071 0.000 1.178 255 Y CB -0.175 38.189 38.460 -0.161 0.000 1.010 255 Y HN 0.057 nan 8.280 nan 0.000 0.536 256 L N 0.460 121.752 121.223 0.116 0.000 2.083 256 L HA -0.190 4.145 4.340 -0.008 0.000 0.209 256 L C 1.912 178.818 176.870 0.059 0.000 1.083 256 L CA 1.578 56.473 54.840 0.092 0.000 0.752 256 L CB -0.777 41.359 42.059 0.129 0.000 0.899 256 L HN 0.231 nan 8.230 nan 0.000 0.433 257 I N -0.950 119.653 120.570 0.054 0.000 2.127 257 I HA -0.297 3.868 4.170 -0.008 0.000 0.241 257 I C 2.437 178.454 176.117 -0.167 0.000 1.075 257 I CA 1.530 62.850 61.300 0.033 0.000 1.334 257 I CB -0.499 37.599 38.000 0.163 0.000 1.040 257 I HN 0.365 nan 8.210 nan 0.000 0.405 258 L N 1.414 122.359 121.223 -0.465 0.000 2.042 258 L HA -0.116 4.219 4.340 -0.008 0.000 0.210 258 L C 2.333 179.111 176.870 -0.154 0.000 1.076 258 L CA 2.264 56.680 54.840 -0.706 0.000 0.749 258 L CB -1.276 40.280 42.059 -0.839 0.000 0.893 258 L HN 0.202 nan 8.230 nan 0.000 0.432 259 G N -0.126 108.662 108.800 -0.021 0.000 2.491 259 G HA2 -0.311 3.644 3.960 -0.008 0.000 0.218 259 G HA3 -0.311 3.644 3.960 -0.008 0.000 0.218 259 G C 1.656 176.602 174.900 0.076 0.000 1.180 259 G CA 1.319 46.462 45.100 0.071 0.000 0.774 259 G HN 0.484 nan 8.290 nan 0.000 0.562 260 I N 0.838 121.430 120.570 0.037 0.000 2.151 260 I HA -0.247 3.918 4.170 -0.008 0.000 0.243 260 I C 2.722 178.859 176.117 0.034 0.000 1.080 260 I CA 1.104 62.434 61.300 0.049 0.000 1.339 260 I CB -0.252 37.783 38.000 0.059 0.000 1.039 260 I HN 0.200 nan 8.210 nan 0.000 0.409 261 I N -0.219 120.328 120.570 -0.039 0.000 2.127 261 I HA -0.337 3.828 4.170 -0.008 0.000 0.241 261 I C 2.385 178.456 176.117 -0.076 0.000 1.075 261 I CA 1.801 63.036 61.300 -0.108 0.000 1.334 261 I CB -0.577 37.262 38.000 -0.267 0.000 1.040 261 I HN 0.069 nan 8.210 nan 0.000 0.405 262 F N 1.055 120.983 119.950 -0.037 0.000 2.161 262 F HA -0.158 4.364 4.527 -0.008 0.000 0.300 262 F C 2.556 178.375 175.800 0.031 0.000 1.089 262 F CA 1.386 59.396 58.000 0.018 0.000 1.282 262 F CB -0.722 38.249 39.000 -0.047 0.000 1.010 262 F HN 0.062 nan 8.300 nan 0.000 0.485 263 G N 0.414 109.319 108.800 0.175 0.000 2.408 263 G HA2 -0.239 3.716 3.960 -0.008 0.000 0.217 263 G HA3 -0.239 3.716 3.960 -0.008 0.000 0.217 263 G C 1.537 176.482 174.900 0.075 0.000 1.150 263 G CA 1.149 46.304 45.100 0.091 0.000 0.776 263 G HN 0.488 nan 8.290 nan 0.000 0.542 264 I N -2.718 117.906 120.570 0.089 0.000 2.480 264 I HA 0.273 4.438 4.170 -0.008 0.000 0.251 264 I C 2.279 178.446 176.117 0.084 0.000 1.124 264 I CA 0.761 62.108 61.300 0.078 0.000 1.444 264 I CB -0.366 37.680 38.000 0.077 0.000 1.098 264 I HN 0.014 nan 8.210 nan 0.000 0.428 265 F N 2.361 122.286 119.950 -0.042 0.000 2.259 265 F HA 0.247 4.770 4.527 -0.006 0.000 0.298 265 F C 2.246 178.012 175.800 -0.056 0.000 1.088 265 F CA 0.881 58.838 58.000 -0.071 0.000 1.358 265 F CB -0.806 38.144 39.000 -0.085 0.000 1.040 265 F HN 0.130 nan 8.300 nan 0.000 0.505 266 G N 1.263 110.017 108.800 -0.076 0.000 2.553 266 G HA2 -0.283 3.672 3.960 -0.008 0.000 0.218 266 G HA3 -0.283 3.672 3.960 -0.008 0.000 0.218 266 G C -0.660 174.112 174.900 -0.214 0.000 1.195 266 G CA 1.172 46.188 45.100 -0.139 0.000 0.779 266 G HN 0.307 nan 8.290 nan 0.000 0.577 267 P HA 0.018 nan 4.420 nan 0.000 0.217 267 P C 1.974 179.107 177.300 -0.278 0.000 1.151 267 P CA 0.611 63.613 63.100 -0.164 0.000 0.828 267 P CB -0.074 31.573 31.700 -0.088 0.000 0.788 268 I N -1.895 118.445 120.570 -0.383 0.000 2.194 268 I HA -0.287 3.878 4.170 -0.008 0.000 0.246 268 I C 2.237 177.686 176.117 -1.113 0.000 1.093 268 I CA 1.613 62.539 61.300 -0.623 0.000 1.355 268 I CB -0.622 37.062 38.000 -0.526 0.000 1.046 268 I HN -0.111 nan 8.210 nan 0.000 0.413 269 F N 1.792 120.985 119.950 -1.262 0.000 2.146 269 F HA -0.190 4.333 4.527 -0.008 0.000 0.298 269 F C 2.230 177.739 175.800 -0.485 0.000 1.096 269 F CA 1.796 59.174 58.000 -1.037 0.000 1.275 269 F CB -0.581 37.830 39.000 -0.982 0.000 1.008 269 F HN 0.061 nan 8.300 nan 0.000 0.480 270 N N -0.064 118.452 118.700 -0.307 0.000 2.149 270 N HA -0.226 4.509 4.740 -0.008 0.000 0.188 270 N C 1.723 177.134 175.510 -0.165 0.000 1.019 270 N CA 1.261 54.196 53.050 -0.192 0.000 0.857 270 N CB -0.093 38.331 38.487 -0.106 0.000 0.997 270 N HN 0.311 nan 8.380 nan 0.000 0.426 271 K N 0.269 120.555 120.400 -0.190 0.000 1.991 271 K HA -0.154 4.162 4.320 -0.008 0.000 0.212 271 K C 1.831 178.467 176.600 0.059 0.000 1.049 271 K CA 1.393 57.647 56.287 -0.055 0.000 0.932 271 K CB -0.134 32.348 32.500 -0.030 0.000 0.717 271 K HN 0.253 nan 8.250 nan 0.000 0.441 272 W N 0.371 121.552 121.300 -0.197 0.000 2.335 272 W HA -0.160 4.494 4.660 -0.009 0.000 0.311 272 W C 2.195 178.570 176.519 -0.239 0.000 1.213 272 W CA 0.337 57.552 57.345 -0.217 0.000 1.274 272 W CB -1.431 27.868 29.460 -0.268 0.000 1.148 272 W HN -0.018 nan 8.180 nan 0.000 0.498 273 V N 1.030 120.858 119.914 -0.143 0.000 2.282 273 V HA -0.303 3.813 4.120 -0.008 0.000 0.249 273 V C 2.154 178.276 176.094 0.047 0.000 1.057 273 V CA 2.049 64.304 62.300 -0.076 0.000 1.032 273 V CB -0.658 31.090 31.823 -0.124 0.000 0.645 273 V HN 0.124 nan 8.190 nan 0.000 0.447 274 L N 0.334 121.578 121.223 0.035 0.000 1.961 274 L HA -0.023 4.312 4.340 -0.008 0.000 0.210 274 L C 2.798 179.694 176.870 0.044 0.000 1.072 274 L CA 1.945 56.816 54.840 0.052 0.000 0.749 274 L CB -1.468 40.616 42.059 0.042 0.000 0.889 274 L HN 0.469 nan 8.230 nan 0.000 0.432 275 G N -0.597 108.233 108.800 0.050 0.000 2.475 275 G HA2 -0.344 3.611 3.960 -0.008 0.000 0.220 275 G HA3 -0.344 3.611 3.960 -0.008 0.000 0.220 275 G C 1.526 176.436 174.900 0.015 0.000 1.125 275 G CA 1.023 46.146 45.100 0.039 0.000 0.755 275 G HN 0.176 nan 8.290 nan 0.000 0.565 276 M N 0.260 119.872 119.600 0.020 0.000 2.288 276 M HA 0.117 4.592 4.480 -0.008 0.000 0.266 276 M C 2.585 178.885 176.300 0.001 0.000 1.072 276 M CA 1.068 56.366 55.300 -0.002 0.000 1.132 276 M CB -0.314 32.291 32.600 0.008 0.000 1.386 276 M HN 0.323 nan 8.290 nan 0.000 0.432 277 Q N -0.130 119.684 119.800 0.024 0.000 2.084 277 Q HA -0.196 4.139 4.340 -0.008 0.000 0.202 277 Q C 1.478 177.483 176.000 0.009 0.000 0.978 277 Q CA 1.614 57.433 55.803 0.027 0.000 0.844 277 Q CB -0.274 28.487 28.738 0.039 0.000 0.898 277 Q HN 0.503 nan 8.270 nan 0.000 0.426 278 D N 1.015 121.415 120.400 0.000 0.000 2.077 278 D HA -0.177 4.458 4.640 -0.008 0.000 0.193 278 D C 1.894 178.179 176.300 -0.024 0.000 0.989 278 D CA 0.817 54.814 54.000 -0.006 0.000 0.831 278 D CB -0.544 40.252 40.800 -0.007 0.000 0.979 278 D HN 0.134 nan 8.370 nan 0.000 0.449 279 L N 0.404 121.600 121.223 -0.045 0.000 2.081 279 L HA -0.177 4.159 4.340 -0.008 0.000 0.212 279 L C 2.211 178.996 176.870 -0.143 0.000 1.080 279 L CA 1.141 55.933 54.840 -0.079 0.000 0.754 279 L CB -0.097 41.919 42.059 -0.073 0.000 0.893 279 L HN 0.040 nan 8.230 nan 0.000 0.433 280 L N -1.382 119.748 121.223 -0.156 0.000 2.395 280 L HA -0.176 4.160 4.340 -0.008 0.000 0.218 280 L C 2.344 178.835 176.870 -0.632 0.000 1.130 280 L CA 0.581 55.250 54.840 -0.286 0.000 0.826 280 L CB -0.532 41.427 42.059 -0.166 0.000 0.941 280 L HN 0.403 nan 8.230 nan 0.000 0.451 281 H N 0.678 119.437 119.070 -0.517 0.000 2.326 281 H HA -0.112 4.439 4.556 -0.008 0.000 0.301 281 H C 2.360 177.311 175.328 -0.627 0.000 1.081 281 H CA 1.688 57.382 56.048 -0.591 0.000 1.334 281 H CB 0.198 29.863 29.762 -0.162 0.000 1.385 281 H HN 0.081 nan 8.280 nan 0.000 0.504 282 R N -0.325 119.973 120.500 -0.336 0.000 2.115 282 R HA -0.161 4.174 4.340 -0.008 0.000 0.239 282 R C 2.374 178.456 176.300 -0.363 0.000 1.133 282 R CA 1.844 57.783 56.100 -0.268 0.000 0.935 282 R CB -0.914 29.299 30.300 -0.146 0.000 0.853 282 R HN 0.182 nan 8.270 nan 0.000 0.433 283 V N 1.395 121.064 119.914 -0.410 0.000 2.357 283 V HA -0.296 3.819 4.120 -0.008 0.000 0.257 283 V C 2.012 177.925 176.094 -0.302 0.000 1.082 283 V CA 2.489 64.588 62.300 -0.335 0.000 1.078 283 V CB -0.854 30.782 31.823 -0.311 0.000 0.663 283 V HN 0.619 nan 8.190 nan 0.000 0.455 284 H N -2.005 116.890 119.070 -0.292 0.000 2.885 284 H HA 0.470 5.021 4.556 -0.008 0.000 0.260 284 H C 1.685 176.873 175.328 -0.233 0.000 0.985 284 H CA 0.381 56.285 56.048 -0.240 0.000 1.210 284 H CB -0.093 29.504 29.762 -0.274 0.000 1.466 284 H HN 0.303 nan 8.280 nan 0.000 0.493 285 G N 0.142 108.799 108.800 -0.237 0.000 2.257 285 G HA2 -0.222 3.733 3.960 -0.008 0.000 0.267 285 G HA3 -0.222 3.733 3.960 -0.008 0.000 0.267 285 G C 1.427 176.211 174.900 -0.194 0.000 0.984 285 G CA 1.160 46.127 45.100 -0.222 0.000 0.626 285 G HN 1.606 nan 8.290 nan 0.000 0.540 286 G N -0.858 107.943 108.800 0.002 0.000 2.192 286 G HA2 -0.120 3.835 3.960 -0.008 0.000 0.193 286 G HA3 -0.120 3.835 3.960 -0.008 0.000 0.193 286 G C 0.041 175.092 174.900 0.251 0.000 0.999 286 G CA 0.646 45.898 45.100 0.252 0.000 0.659 286 G HN 1.787 nan 8.290 nan 0.000 0.503 287 N N 1.164 119.972 118.700 0.181 0.000 2.427 287 N HA 0.262 4.998 4.740 -0.008 0.000 0.269 287 N C 1.495 177.117 175.510 0.187 0.000 1.235 287 N CA 0.285 53.423 53.050 0.146 0.000 0.934 287 N CB 0.281 38.832 38.487 0.106 0.000 1.121 287 N HN 0.395 nan 8.380 nan 0.000 0.480 288 I N 2.517 123.163 120.570 0.128 0.000 2.761 288 I HA -0.277 3.888 4.170 -0.008 0.000 0.266 288 I C 0.618 176.824 176.117 0.148 0.000 1.239 288 I CA 1.245 62.606 61.300 0.102 0.000 1.451 288 I CB 0.089 38.109 38.000 0.034 0.000 1.096 288 I HN 0.581 nan 8.210 nan 0.000 0.465 289 T N -0.324 114.311 114.554 0.134 0.000 2.988 289 T HA -0.005 4.340 4.350 -0.008 0.000 0.240 289 T C 1.776 176.549 174.700 0.122 0.000 1.014 289 T CA 0.473 62.639 62.100 0.111 0.000 1.155 289 T CB 0.000 68.910 68.868 0.070 0.000 0.872 289 T HN 0.227 nan 8.240 nan 0.000 0.440 290 K N 0.346 120.823 120.400 0.128 0.000 2.103 290 K HA -0.101 4.214 4.320 -0.008 0.000 0.207 290 K C 2.033 178.740 176.600 0.179 0.000 1.048 290 K CA 1.065 57.425 56.287 0.122 0.000 0.930 290 K CB -0.059 32.505 32.500 0.107 0.000 0.716 290 K HN 0.305 nan 8.250 nan 0.000 0.444 291 W N 1.226 122.537 121.300 0.018 0.000 2.348 291 W HA -0.194 4.461 4.660 -0.008 0.000 0.324 291 W C 1.801 178.267 176.519 -0.088 0.000 1.209 291 W CA 1.129 58.428 57.345 -0.076 0.000 1.275 291 W CB -0.823 28.471 29.460 -0.276 0.000 1.175 291 W HN -0.208 nan 8.180 nan 0.000 0.461 292 V N 1.357 121.452 119.914 0.302 0.000 2.453 292 V HA -0.323 3.792 4.120 -0.008 0.000 0.252 292 V C 2.447 178.549 176.094 0.013 0.000 1.068 292 V CA 1.861 64.251 62.300 0.151 0.000 1.070 292 V CB -1.034 30.902 31.823 0.189 0.000 0.664 292 V HN 0.150 nan 8.190 nan 0.000 0.461 293 L N -1.467 119.781 121.223 0.042 0.000 2.044 293 L HA -0.153 4.182 4.340 -0.008 0.000 0.205 293 L C 2.477 179.326 176.870 -0.035 0.000 1.075 293 L CA 1.757 56.603 54.840 0.010 0.000 0.747 293 L CB -0.455 41.626 42.059 0.036 0.000 0.903 293 L HN 0.293 nan 8.230 nan 0.000 0.435 294 M N -0.282 119.301 119.600 -0.029 0.000 2.144 294 M HA -0.188 4.287 4.480 -0.008 0.000 0.260 294 M C 2.066 178.246 176.300 -0.199 0.000 1.067 294 M CA 2.118 57.379 55.300 -0.065 0.000 1.095 294 M CB -0.516 32.065 32.600 -0.032 0.000 1.365 294 M HN 0.353 nan 8.290 nan 0.000 0.406 295 G N -0.600 107.910 108.800 -0.484 0.000 2.511 295 G HA2 -0.218 3.737 3.960 -0.008 0.000 0.216 295 G HA3 -0.218 3.737 3.960 -0.008 0.000 0.216 295 G C 1.351 175.953 174.900 -0.497 0.000 1.218 295 G CA 0.896 45.255 45.100 -1.234 0.000 0.788 295 G HN 0.596 nan 8.290 nan 0.000 0.560 296 G N 0.779 109.404 108.800 -0.292 0.000 2.516 296 G HA2 0.070 4.025 3.960 -0.008 0.000 0.221 296 G HA3 0.070 4.025 3.960 -0.008 0.000 0.221 296 G C 1.856 176.650 174.900 -0.176 0.000 1.107 296 G CA 1.521 46.535 45.100 -0.143 0.000 0.747 296 G HN 0.713 nan 8.290 nan 0.000 0.567 297 A N 0.626 123.390 122.820 -0.093 0.000 1.898 297 A HA 0.170 4.485 4.320 -0.008 0.000 0.214 297 A C 2.337 179.903 177.584 -0.030 0.000 1.183 297 A CA 1.061 53.111 52.037 0.021 0.000 0.622 297 A CB -0.197 18.853 19.000 0.083 0.000 0.824 297 A HN 0.358 nan 8.150 nan 0.000 0.444 298 I N -0.248 120.299 120.570 -0.039 0.000 2.233 298 I HA -0.105 4.061 4.170 -0.008 0.000 0.243 298 I C 2.713 178.816 176.117 -0.022 0.000 1.093 298 I CA 1.062 62.368 61.300 0.010 0.000 1.380 298 I CB -0.742 37.300 38.000 0.069 0.000 1.067 298 I HN 0.340 nan 8.210 nan 0.000 0.413 299 G N 0.751 109.529 108.800 -0.037 0.000 2.442 299 G HA2 -0.203 3.753 3.960 -0.008 0.000 0.219 299 G HA3 -0.203 3.753 3.960 -0.008 0.000 0.219 299 G C 1.727 176.502 174.900 -0.208 0.000 1.141 299 G CA 0.940 46.015 45.100 -0.042 0.000 0.763 299 G HN 0.508 nan 8.290 nan 0.000 0.554 300 G N 0.857 109.357 108.800 -0.501 0.000 2.404 300 G HA2 -0.112 3.843 3.960 -0.008 0.000 0.215 300 G HA3 -0.112 3.843 3.960 -0.008 0.000 0.215 300 G C 1.744 176.330 174.900 -0.524 0.000 1.174 300 G CA 0.973 45.409 45.100 -1.107 0.000 0.780 300 G HN 0.453 nan 8.290 nan 0.000 0.537 301 L N 0.612 121.737 121.223 -0.163 0.000 2.079 301 L HA -0.078 4.257 4.340 -0.008 0.000 0.210 301 L C 2.666 179.579 176.870 0.070 0.000 1.081 301 L CA 1.624 56.531 54.840 0.113 0.000 0.752 301 L CB -0.788 41.346 42.059 0.126 0.000 0.896 301 L HN 0.248 nan 8.230 nan 0.000 0.433 302 C N -0.098 119.211 119.300 0.014 0.000 2.462 302 C HA 0.000 4.455 4.460 -0.008 0.000 0.278 302 C C 2.794 177.811 174.990 0.046 0.000 1.253 302 C CA 0.725 59.767 59.018 0.039 0.000 1.713 302 C CB -1.800 25.962 27.740 0.037 0.000 2.049 302 C HN 0.752 nan 8.230 nan 0.000 0.477 303 G N -0.060 108.744 108.800 0.007 0.000 2.448 303 G HA2 -0.198 3.757 3.960 -0.008 0.000 0.219 303 G HA3 -0.198 3.757 3.960 -0.008 0.000 0.219 303 G C 1.590 176.535 174.900 0.075 0.000 1.127 303 G CA 0.887 46.001 45.100 0.024 0.000 0.766 303 G HN 0.555 nan 8.290 nan 0.000 0.552 304 L N -0.210 121.072 121.223 0.099 0.000 2.007 304 L HA 0.183 4.518 4.340 -0.008 0.000 0.205 304 L C 2.731 179.713 176.870 0.186 0.000 1.073 304 L CA 0.954 55.884 54.840 0.150 0.000 0.744 304 L CB -0.219 41.970 42.059 0.217 0.000 0.898 304 L HN 0.146 nan 8.230 nan 0.000 0.435 305 L N -0.101 121.218 121.223 0.160 0.000 2.127 305 L HA -0.158 4.177 4.340 -0.008 0.000 0.211 305 L C 2.255 179.219 176.870 0.157 0.000 1.089 305 L CA 1.101 56.036 54.840 0.158 0.000 0.757 305 L CB -0.941 41.191 42.059 0.122 0.000 0.899 305 L HN 0.506 nan 8.230 nan 0.000 0.434 306 G N -1.608 107.278 108.800 0.144 0.000 2.708 306 G HA2 -0.247 3.708 3.960 -0.008 0.000 0.210 306 G HA3 -0.247 3.708 3.960 -0.008 0.000 0.210 306 G C 1.058 176.066 174.900 0.180 0.000 1.141 306 G CA 0.202 45.382 45.100 0.133 0.000 0.788 306 G HN 0.392 nan 8.290 nan 0.000 0.531 307 F N -0.049 119.931 119.950 0.049 0.000 2.532 307 F HA 0.129 4.653 4.527 -0.005 0.000 0.276 307 F C 2.342 178.183 175.800 0.069 0.000 0.911 307 F CA 0.783 58.809 58.000 0.043 0.000 1.196 307 F CB -0.126 38.879 39.000 0.008 0.000 1.087 307 F HN -0.008 nan 8.300 nan 0.000 0.775 308 V N 0.358 120.463 119.914 0.319 0.000 2.594 308 V HA 0.286 4.401 4.120 -0.008 0.000 0.253 308 V C 0.509 176.662 176.094 0.098 0.000 1.069 308 V CA 1.216 63.644 62.300 0.213 0.000 1.082 308 V CB -1.235 30.773 31.823 0.308 0.000 0.680 308 V HN 0.495 nan 8.190 nan 0.000 0.469 309 A N -0.167 122.725 122.820 0.121 0.000 2.684 309 A HA 0.746 5.061 4.320 -0.008 0.000 0.289 309 A C -2.035 175.619 177.584 0.116 0.000 1.139 309 A CA -0.701 51.416 52.037 0.133 0.000 0.793 309 A CB 1.168 20.315 19.000 0.245 0.000 1.334 309 A HN 0.243 nan 8.150 nan 0.000 0.408 310 P HA -0.054 nan 4.420 nan 0.000 0.221 310 P C 1.504 178.863 177.300 0.097 0.000 1.150 310 P CA 1.586 64.736 63.100 0.084 0.000 0.800 310 P CB 0.371 32.109 31.700 0.065 0.000 0.787 311 A N -0.460 122.427 122.820 0.111 0.000 2.168 311 A HA -0.066 4.249 4.320 -0.008 0.000 0.215 311 A C 1.917 179.521 177.584 0.032 0.000 1.152 311 A CA 1.718 53.805 52.037 0.084 0.000 0.716 311 A CB -1.513 17.520 19.000 0.055 0.000 0.794 311 A HN 0.321 nan 8.150 nan 0.000 0.465 312 T N -4.174 110.404 114.554 0.040 0.000 3.081 312 T HA 0.312 4.657 4.350 -0.008 0.000 0.250 312 T C 0.638 175.346 174.700 0.013 0.000 1.100 312 T CA 0.639 62.727 62.100 -0.019 0.000 1.038 312 T CB -0.018 68.838 68.868 -0.021 0.000 0.962 312 T HN 0.226 nan 8.240 nan 0.000 0.516 313 S N -0.914 114.813 115.700 0.045 0.000 2.627 313 S HA 0.687 5.152 4.470 -0.008 0.000 0.283 313 S C 0.009 174.641 174.600 0.053 0.000 1.127 313 S CA 0.319 58.550 58.200 0.053 0.000 0.863 313 S CB 1.116 64.357 63.200 0.067 0.000 1.121 313 S HN 1.369 nan 8.310 nan 0.000 0.479 314 G N 1.034 109.863 108.800 0.048 0.000 2.757 314 G HA2 0.044 3.999 3.960 -0.008 0.000 0.638 314 G HA3 0.044 3.999 3.960 -0.008 0.000 0.638 314 G C 0.827 175.734 174.900 0.011 0.000 1.344 314 G CA 0.036 45.158 45.100 0.037 0.000 0.855 314 G HN 1.594 nan 8.290 nan 0.000 0.537 315 G N -0.850 107.935 108.800 -0.025 0.000 2.469 315 G HA2 0.316 4.272 3.960 -0.008 0.000 0.219 315 G HA3 0.316 4.272 3.960 -0.008 0.000 0.219 315 G C 2.125 176.926 174.900 -0.164 0.000 1.150 315 G CA 2.389 47.407 45.100 -0.137 0.000 0.763 315 G HN 2.813 nan 8.290 nan 0.000 0.561 316 G N -1.430 107.351 108.800 -0.032 0.000 2.195 316 G HA2 -0.234 3.721 3.960 -0.008 0.000 0.224 316 G HA3 -0.234 3.721 3.960 -0.008 0.000 0.224 316 G C 0.859 175.892 174.900 0.222 0.000 0.990 316 G CA 0.446 45.584 45.100 0.063 0.000 0.639 316 G HN 0.270 nan 8.290 nan 0.000 0.514 317 F N 2.105 122.122 119.950 0.112 0.000 2.771 317 F HA 0.150 4.671 4.527 -0.009 0.000 0.299 317 F C 1.993 177.856 175.800 0.105 0.000 1.177 317 F CA 0.621 58.689 58.000 0.113 0.000 1.450 317 F CB -0.260 38.810 39.000 0.118 0.000 1.114 317 F HN 0.288 nan 8.300 nan 0.000 0.587 318 N N 0.232 119.104 118.700 0.286 0.000 2.436 318 N HA 0.007 4.742 4.740 -0.008 0.000 0.178 318 N C 1.953 177.592 175.510 0.215 0.000 1.026 318 N CA 0.762 53.937 53.050 0.209 0.000 0.880 318 N CB -0.453 38.138 38.487 0.173 0.000 1.061 318 N HN 0.328 nan 8.380 nan 0.000 0.434 319 L N -0.624 120.752 121.223 0.255 0.000 2.465 319 L HA 0.217 4.552 4.340 -0.008 0.000 0.224 319 L C 2.026 179.089 176.870 0.322 0.000 1.145 319 L CA 0.547 55.601 54.840 0.357 0.000 0.834 319 L CB -0.557 41.697 42.059 0.326 0.000 0.944 319 L HN -0.085 nan 8.230 nan 0.000 0.451 320 I N 0.934 121.651 120.570 0.244 0.000 2.076 320 I HA -0.166 3.999 4.170 -0.008 0.000 0.237 320 I C 0.029 176.233 176.117 0.145 0.000 1.059 320 I CA 1.638 63.056 61.300 0.197 0.000 1.317 320 I CB -1.464 36.651 38.000 0.191 0.000 1.037 320 I HN 0.243 nan 8.210 nan 0.000 0.398 321 P HA -0.165 nan 4.420 nan 0.000 0.216 321 P C 1.818 179.137 177.300 0.031 0.000 1.153 321 P CA 1.687 64.821 63.100 0.056 0.000 0.858 321 P CB -0.086 31.638 31.700 0.040 0.000 0.789 322 I N -1.162 119.421 120.570 0.022 0.000 2.361 322 I HA -0.222 3.943 4.170 -0.008 0.000 0.251 322 I C 2.273 178.282 176.117 -0.180 0.000 1.133 322 I CA 1.438 62.644 61.300 -0.157 0.000 1.413 322 I CB -0.742 37.094 38.000 -0.274 0.000 1.073 322 I HN -0.076 nan 8.210 nan 0.000 0.424 323 A N 0.538 123.453 122.820 0.158 0.000 1.874 323 A HA -0.109 4.206 4.320 -0.008 0.000 0.214 323 A C 2.389 180.070 177.584 0.162 0.000 1.189 323 A CA 1.830 54.056 52.037 0.316 0.000 0.615 323 A CB -0.976 18.278 19.000 0.423 0.000 0.830 323 A HN 0.328 nan 8.150 nan 0.000 0.443 324 T N 0.868 115.495 114.554 0.122 0.000 2.699 324 T HA -0.121 4.224 4.350 -0.008 0.000 0.268 324 T C 2.063 176.802 174.700 0.064 0.000 1.036 324 T CA 1.692 63.848 62.100 0.093 0.000 1.147 324 T CB -0.473 68.438 68.868 0.071 0.000 0.862 324 T HN 0.574 nan 8.240 nan 0.000 0.446 325 A N 0.533 123.369 122.820 0.028 0.000 2.172 325 A HA 0.387 4.702 4.320 -0.008 0.000 0.216 325 A C 2.027 179.612 177.584 0.002 0.000 1.154 325 A CA 1.168 53.208 52.037 0.004 0.000 0.701 325 A CB -1.079 17.903 19.000 -0.029 0.000 0.789 325 A HN 0.924 nan 8.150 nan 0.000 0.465 326 G N -0.592 108.219 108.800 0.018 0.000 2.176 326 G HA2 -0.320 3.635 3.960 -0.008 0.000 0.252 326 G HA3 -0.320 3.635 3.960 -0.008 0.000 0.252 326 G C 0.419 175.309 174.900 -0.016 0.000 1.024 326 G CA 0.578 45.698 45.100 0.033 0.000 0.755 326 G HN 0.685 nan 8.290 nan 0.000 0.507 327 N N -1.060 117.565 118.700 -0.125 0.000 2.459 327 N HA 0.124 4.859 4.740 -0.008 0.000 0.181 327 N C 0.245 175.629 175.510 -0.210 0.000 1.046 327 N CA 0.164 53.089 53.050 -0.208 0.000 0.904 327 N CB 0.029 38.319 38.487 -0.328 0.000 0.964 327 N HN 0.402 nan 8.380 nan 0.000 0.444 328 F N 1.254 121.226 119.950 0.037 0.000 2.384 328 F HA 0.187 4.706 4.527 -0.013 0.000 0.338 328 F C 1.111 176.928 175.800 0.029 0.000 1.103 328 F CA -1.593 56.431 58.000 0.041 0.000 1.157 328 F CB 0.764 39.800 39.000 0.060 0.000 1.167 328 F HN -0.143 nan 8.300 nan 0.000 0.529 329 S N 2.732 118.573 115.700 0.235 0.000 2.593 329 S HA 0.130 4.595 4.470 -0.008 0.000 0.269 329 S C 1.161 175.829 174.600 0.112 0.000 1.334 329 S CA -0.811 57.464 58.200 0.125 0.000 1.015 329 S CB 0.789 64.040 63.200 0.085 0.000 0.912 329 S HN 0.762 nan 8.310 nan 0.000 0.541 330 M N 2.864 122.500 119.600 0.060 0.000 2.195 330 M HA 0.001 4.476 4.480 -0.008 0.000 0.260 330 M C 1.810 178.134 176.300 0.041 0.000 1.066 330 M CA 2.123 57.444 55.300 0.034 0.000 1.089 330 M CB -1.470 31.130 32.600 -0.001 0.000 1.377 330 M HN 0.938 nan 8.290 nan 0.000 0.411 331 G N -0.340 108.488 108.800 0.046 0.000 2.434 331 G HA2 -0.253 3.702 3.960 -0.008 0.000 0.214 331 G HA3 -0.253 3.702 3.960 -0.008 0.000 0.214 331 G C 1.433 176.385 174.900 0.086 0.000 1.202 331 G CA 1.087 46.219 45.100 0.052 0.000 0.788 331 G HN 0.499 nan 8.290 nan 0.000 0.539 332 M N 0.436 120.087 119.600 0.084 0.000 2.267 332 M HA 0.098 4.573 4.480 -0.008 0.000 0.263 332 M C 2.254 178.583 176.300 0.048 0.000 1.063 332 M CA 1.035 56.392 55.300 0.095 0.000 1.090 332 M CB -0.390 32.284 32.600 0.123 0.000 1.392 332 M HN 0.207 nan 8.290 nan 0.000 0.422 333 L N -1.894 119.348 121.223 0.032 0.000 1.988 333 L HA -0.201 4.134 4.340 -0.008 0.000 0.207 333 L C 2.280 179.179 176.870 0.049 0.000 1.071 333 L CA 1.106 55.939 54.840 -0.011 0.000 0.744 333 L CB -0.993 41.078 42.059 0.019 0.000 0.893 333 L HN 0.071 nan 8.230 nan 0.000 0.433 334 V N -0.028 119.929 119.914 0.072 0.000 2.317 334 V HA -0.374 3.741 4.120 -0.008 0.000 0.251 334 V C 2.233 178.430 176.094 0.172 0.000 1.065 334 V CA 2.364 64.729 62.300 0.109 0.000 1.049 334 V CB -0.590 31.283 31.823 0.082 0.000 0.651 334 V HN 0.394 nan 8.190 nan 0.000 0.450 335 F N 0.308 120.275 119.950 0.029 0.000 2.051 335 F HA -0.206 4.319 4.527 -0.002 0.000 0.296 335 F C 2.165 177.976 175.800 0.018 0.000 1.122 335 F CA 2.076 60.088 58.000 0.020 0.000 1.201 335 F CB -0.273 38.725 39.000 -0.003 0.000 0.978 335 F HN 0.056 nan 8.300 nan 0.000 0.472 336 I N -0.485 120.028 120.570 -0.096 0.000 2.248 336 I HA -0.331 3.834 4.170 -0.008 0.000 0.248 336 I C 2.272 178.317 176.117 -0.120 0.000 1.107 336 I CA 1.401 62.572 61.300 -0.215 0.000 1.373 336 I CB -0.583 37.311 38.000 -0.176 0.000 1.055 336 I HN 0.242 nan 8.210 nan 0.000 0.418 337 F N 1.085 120.937 119.950 -0.164 0.000 2.031 337 F HA -0.227 4.294 4.527 -0.009 0.000 0.295 337 F C 2.419 178.164 175.800 -0.091 0.000 1.133 337 F CA 1.762 59.695 58.000 -0.112 0.000 1.188 337 F CB -0.743 38.196 39.000 -0.101 0.000 0.974 337 F HN -0.227 nan 8.300 nan 0.000 0.473 338 V N 0.746 120.603 119.914 -0.095 0.000 2.231 338 V HA -0.399 3.716 4.120 -0.008 0.000 0.250 338 V C 2.744 178.698 176.094 -0.233 0.000 1.058 338 V CA 2.303 64.507 62.300 -0.161 0.000 1.022 338 V CB -1.755 30.034 31.823 -0.056 0.000 0.640 338 V HN 0.511 nan 8.190 nan 0.000 0.445 339 A N -0.537 122.064 122.820 -0.365 0.000 1.917 339 A HA -0.277 4.038 4.320 -0.008 0.000 0.219 339 A C 2.369 179.830 177.584 -0.206 0.000 1.182 339 A CA 2.227 54.046 52.037 -0.363 0.000 0.633 339 A CB -0.527 18.068 19.000 -0.675 0.000 0.819 339 A HN 0.555 nan 8.150 nan 0.000 0.448 340 R N -1.124 119.258 120.500 -0.197 0.000 2.127 340 R HA 0.037 4.372 4.340 -0.008 0.000 0.217 340 R C 2.050 178.317 176.300 -0.056 0.000 1.074 340 R CA 0.982 57.021 56.100 -0.102 0.000 0.991 340 R CB -0.408 29.848 30.300 -0.073 0.000 0.895 340 R HN 0.392 nan 8.270 nan 0.000 0.450 341 V N 1.840 121.670 119.914 -0.140 0.000 2.252 341 V HA -0.302 3.813 4.120 -0.008 0.000 0.249 341 V C 2.288 178.451 176.094 0.116 0.000 1.056 341 V CA 1.918 64.250 62.300 0.054 0.000 1.022 341 V CB -0.382 31.452 31.823 0.018 0.000 0.641 341 V HN 0.248 nan 8.190 nan 0.000 0.445 342 I N 0.711 121.283 120.570 0.005 0.000 2.076 342 I HA -0.286 3.879 4.170 -0.008 0.000 0.237 342 I C 2.765 178.901 176.117 0.033 0.000 1.059 342 I CA 2.318 63.615 61.300 -0.005 0.000 1.317 342 I CB -0.966 37.005 38.000 -0.048 0.000 1.037 342 I HN 0.518 nan 8.210 nan 0.000 0.398 343 T N -2.578 111.990 114.554 0.024 0.000 2.881 343 T HA -0.136 4.209 4.350 -0.008 0.000 0.270 343 T C 1.750 176.510 174.700 0.100 0.000 1.068 343 T CA 1.765 63.897 62.100 0.053 0.000 1.131 343 T CB -0.811 68.078 68.868 0.036 0.000 0.871 343 T HN 0.260 nan 8.240 nan 0.000 0.479 344 T N 2.301 116.929 114.554 0.123 0.000 2.737 344 T HA 0.151 4.496 4.350 -0.008 0.000 0.265 344 T C 1.895 176.730 174.700 0.225 0.000 1.038 344 T CA 1.115 63.327 62.100 0.186 0.000 1.144 344 T CB -0.458 68.549 68.868 0.232 0.000 0.866 344 T HN 0.303 nan 8.240 nan 0.000 0.434 345 L N 0.287 121.621 121.223 0.186 0.000 1.970 345 L HA -0.098 4.237 4.340 -0.008 0.000 0.212 345 L C 2.473 179.432 176.870 0.148 0.000 1.071 345 L CA 1.069 55.994 54.840 0.143 0.000 0.751 345 L CB -0.709 41.391 42.059 0.068 0.000 0.889 345 L HN 0.185 nan 8.230 nan 0.000 0.432 346 L N -0.801 120.489 121.223 0.112 0.000 2.081 346 L HA -0.298 4.037 4.340 -0.008 0.000 0.212 346 L C 2.559 179.529 176.870 0.167 0.000 1.080 346 L CA 1.702 56.608 54.840 0.109 0.000 0.754 346 L CB -0.659 41.449 42.059 0.082 0.000 0.893 346 L HN 0.386 nan 8.230 nan 0.000 0.433 347 C N -2.420 116.997 119.300 0.195 0.000 2.505 347 C HA -0.056 4.399 4.460 -0.008 0.000 0.279 347 C C 2.553 177.699 174.990 0.260 0.000 1.316 347 C CA -0.043 59.114 59.018 0.232 0.000 1.720 347 C CB -0.684 27.180 27.740 0.206 0.000 2.050 347 C HN 0.550 nan 8.230 nan 0.000 0.493 348 F N 1.946 121.977 119.950 0.134 0.000 2.104 348 F HA -0.037 4.485 4.527 -0.008 0.000 0.288 348 F C 2.538 178.420 175.800 0.137 0.000 1.107 348 F CA 1.918 59.998 58.000 0.132 0.000 1.208 348 F CB -0.695 38.387 39.000 0.137 0.000 1.033 348 F HN 0.014 nan 8.300 nan 0.000 0.478 349 S N -0.144 115.670 115.700 0.190 0.000 2.423 349 S HA -0.219 4.247 4.470 -0.008 0.000 0.238 349 S C 1.644 176.272 174.600 0.047 0.000 1.028 349 S CA 1.342 59.585 58.200 0.072 0.000 1.000 349 S CB -0.984 62.283 63.200 0.112 0.000 0.797 349 S HN 0.522 nan 8.310 nan 0.000 0.487 350 S N 0.379 116.151 115.700 0.120 0.000 2.767 350 S HA 0.460 4.925 4.470 -0.008 0.000 0.253 350 S C 1.327 176.164 174.600 0.394 0.000 1.082 350 S CA 0.263 58.612 58.200 0.248 0.000 1.148 350 S CB -0.414 62.966 63.200 0.299 0.000 0.808 350 S HN 0.668 nan 8.310 nan 0.000 0.466 351 G N 0.764 109.670 108.800 0.178 0.000 2.238 351 G HA2 -0.302 3.653 3.960 -0.008 0.000 0.270 351 G HA3 -0.302 3.653 3.960 -0.008 0.000 0.270 351 G C 0.506 175.326 174.900 -0.134 0.000 0.977 351 G CA 0.129 45.300 45.100 0.118 0.000 0.639 351 G HN 1.590 nan 8.290 nan 0.000 0.544 352 A N 1.485 124.168 122.820 -0.229 0.000 2.587 352 A HA 0.477 4.792 4.320 -0.008 0.000 0.235 352 A C -1.081 176.366 177.584 -0.228 0.000 1.044 352 A CA 0.230 51.974 52.037 -0.488 0.000 0.754 352 A CB 0.134 18.983 19.000 -0.252 0.000 0.968 352 A HN 0.350 nan 8.150 nan 0.000 0.509 353 P HA 0.397 nan 4.420 nan 0.000 0.271 353 P C 0.133 177.444 177.300 0.018 0.000 1.233 353 P CA 0.850 63.905 63.100 -0.075 0.000 0.764 353 P CB 0.620 32.293 31.700 -0.045 0.000 0.825 354 G N 1.962 110.802 108.800 0.066 0.000 2.282 354 G HA2 0.392 4.347 3.960 -0.008 0.000 0.274 354 G HA3 0.392 4.347 3.960 -0.008 0.000 0.274 354 G C -0.246 174.805 174.900 0.252 0.000 1.718 354 G CA -0.387 44.789 45.100 0.127 0.000 0.927 354 G HN 0.568 nan 8.290 nan 0.000 0.733 355 G N -0.464 108.454 108.800 0.196 0.000 2.716 355 G HA2 0.471 4.426 3.960 -0.008 0.000 0.251 355 G HA3 0.471 4.426 3.960 -0.008 0.000 0.251 355 G C 0.860 175.901 174.900 0.234 0.000 1.224 355 G CA -0.098 45.164 45.100 0.270 0.000 0.891 355 G HN 1.090 nan 8.290 nan 0.000 0.561 356 I N -0.462 120.173 120.570 0.109 0.000 4.082 356 I HA 0.233 4.398 4.170 -0.008 0.000 0.337 356 I C 1.447 177.580 176.117 0.026 0.000 1.352 356 I CA -0.380 60.837 61.300 -0.138 0.000 1.097 356 I CB 0.037 37.542 38.000 -0.825 0.000 1.048 356 I HN 0.563 nan 8.210 nan 0.000 0.393 357 F N 1.502 121.435 119.950 -0.028 0.000 2.026 357 F HA -0.294 4.228 4.527 -0.008 0.000 0.296 357 F C 2.661 178.482 175.800 0.035 0.000 1.133 357 F CA 2.199 60.205 58.000 0.010 0.000 1.188 357 F CB -0.268 38.824 39.000 0.152 0.000 0.968 357 F HN 0.140 nan 8.300 nan 0.000 0.476 358 A N 0.171 123.170 122.820 0.298 0.000 1.865 358 A HA -0.183 4.132 4.320 -0.008 0.000 0.217 358 A C -0.298 177.277 177.584 -0.014 0.000 1.191 358 A CA 2.038 54.133 52.037 0.097 0.000 0.623 358 A CB -2.151 16.716 19.000 -0.222 0.000 0.826 358 A HN 0.249 nan 8.150 nan 0.000 0.444 359 P HA -0.174 nan 4.420 nan 0.000 0.217 359 P C 1.579 178.866 177.300 -0.023 0.000 1.148 359 P CA 1.449 64.545 63.100 -0.007 0.000 0.834 359 P CB -0.149 31.567 31.700 0.027 0.000 0.783 360 M N -2.151 117.408 119.600 -0.069 0.000 2.288 360 M HA -0.054 4.421 4.480 -0.008 0.000 0.266 360 M C 1.944 178.177 176.300 -0.111 0.000 1.072 360 M CA 1.315 56.523 55.300 -0.153 0.000 1.132 360 M CB -0.555 31.879 32.600 -0.277 0.000 1.386 360 M HN -0.061 nan 8.290 nan 0.000 0.432 361 L N -0.269 120.918 121.223 -0.060 0.000 2.017 361 L HA -0.185 4.150 4.340 -0.008 0.000 0.208 361 L C 2.822 179.728 176.870 0.060 0.000 1.073 361 L CA 1.356 56.192 54.840 -0.008 0.000 0.745 361 L CB -0.968 41.152 42.059 0.102 0.000 0.894 361 L HN 0.282 nan 8.230 nan 0.000 0.432 362 A N 0.253 123.131 122.820 0.097 0.000 1.883 362 A HA -0.203 4.112 4.320 -0.008 0.000 0.217 362 A C 2.267 179.929 177.584 0.129 0.000 1.186 362 A CA 1.653 53.763 52.037 0.122 0.000 0.624 362 A CB -0.855 18.207 19.000 0.104 0.000 0.822 362 A HN 0.357 nan 8.150 nan 0.000 0.444 363 L N -0.810 120.483 121.223 0.116 0.000 2.042 363 L HA -0.164 4.171 4.340 -0.008 0.000 0.210 363 L C 2.830 179.875 176.870 0.291 0.000 1.076 363 L CA 1.206 56.186 54.840 0.233 0.000 0.749 363 L CB -0.798 41.341 42.059 0.133 0.000 0.893 363 L HN 0.523 nan 8.230 nan 0.000 0.432 364 G N -1.054 107.861 108.800 0.192 0.000 2.402 364 G HA2 -0.206 3.750 3.960 -0.008 0.000 0.216 364 G HA3 -0.206 3.750 3.960 -0.008 0.000 0.216 364 G C 1.540 176.561 174.900 0.202 0.000 1.162 364 G CA 1.111 46.346 45.100 0.225 0.000 0.777 364 G HN 0.277 nan 8.290 nan 0.000 0.539 365 T N 1.141 115.765 114.554 0.117 0.000 2.580 365 T HA -0.175 4.170 4.350 -0.008 0.000 0.265 365 T C 2.491 177.273 174.700 0.137 0.000 1.063 365 T CA 1.549 63.722 62.100 0.122 0.000 1.170 365 T CB -0.574 68.371 68.868 0.129 0.000 0.863 365 T HN 0.024 nan 8.240 nan 0.000 0.418 366 V N 1.453 121.444 119.914 0.129 0.000 2.324 366 V HA -0.145 3.970 4.120 -0.008 0.000 0.250 366 V C 2.421 178.489 176.094 -0.043 0.000 1.060 366 V CA 1.612 63.960 62.300 0.080 0.000 1.042 366 V CB -0.674 31.216 31.823 0.112 0.000 0.650 366 V HN 0.325 nan 8.190 nan 0.000 0.450 367 L N 0.986 122.130 121.223 -0.132 0.000 2.109 367 L HA 0.075 4.410 4.340 -0.008 0.000 0.207 367 L C 2.320 179.129 176.870 -0.103 0.000 1.086 367 L CA 2.321 56.934 54.840 -0.378 0.000 0.760 367 L CB -1.272 40.363 42.059 -0.706 0.000 0.910 367 L HN 0.245 nan 8.230 nan 0.000 0.437 368 G N -1.542 107.338 108.800 0.134 0.000 2.421 368 G HA2 -0.254 3.702 3.960 -0.008 0.000 0.216 368 G HA3 -0.254 3.702 3.960 -0.008 0.000 0.216 368 G C 1.405 176.450 174.900 0.243 0.000 1.171 368 G CA 1.213 46.462 45.100 0.248 0.000 0.775 368 G HN 0.431 nan 8.290 nan 0.000 0.543 369 T N 1.905 116.560 114.554 0.168 0.000 2.684 369 T HA -0.081 4.264 4.350 -0.008 0.000 0.267 369 T C 2.803 177.549 174.700 0.078 0.000 1.036 369 T CA 1.727 63.914 62.100 0.144 0.000 1.148 369 T CB -0.491 68.463 68.868 0.144 0.000 0.863 369 T HN 0.392 nan 8.240 nan 0.000 0.436 370 A N 0.999 123.832 122.820 0.021 0.000 1.908 370 A HA -0.078 4.237 4.320 -0.008 0.000 0.218 370 A C 2.045 179.601 177.584 -0.045 0.000 1.181 370 A CA 1.576 53.590 52.037 -0.039 0.000 0.627 370 A CB -1.032 17.895 19.000 -0.121 0.000 0.818 370 A HN 0.484 nan 8.150 nan 0.000 0.445 371 F N 0.979 120.830 119.950 -0.165 0.000 2.102 371 F HA 0.005 4.527 4.527 -0.007 0.000 0.298 371 F C 2.356 177.953 175.800 -0.339 0.000 1.105 371 F CA 1.494 59.363 58.000 -0.218 0.000 1.239 371 F CB -0.717 38.183 39.000 -0.166 0.000 0.991 371 F HN 0.216 nan 8.300 nan 0.000 0.474 372 G N 0.866 109.574 108.800 -0.152 0.000 2.459 372 G HA2 -0.293 3.662 3.960 -0.008 0.000 0.217 372 G HA3 -0.293 3.662 3.960 -0.008 0.000 0.217 372 G C 1.646 176.364 174.900 -0.302 0.000 1.183 372 G CA 1.193 46.082 45.100 -0.352 0.000 0.776 372 G HN 0.286 nan 8.290 nan 0.000 0.552 373 M N 0.191 119.699 119.600 -0.153 0.000 2.226 373 M HA -0.171 4.304 4.480 -0.008 0.000 0.257 373 M C 2.764 178.936 176.300 -0.213 0.000 1.070 373 M CA 1.509 56.731 55.300 -0.131 0.000 1.087 373 M CB -1.311 31.241 32.600 -0.080 0.000 1.278 373 M HN 0.156 nan 8.290 nan 0.000 0.426 374 V N 0.450 120.193 119.914 -0.286 0.000 2.261 374 V HA -0.257 3.858 4.120 -0.008 0.000 0.246 374 V C 2.763 178.619 176.094 -0.396 0.000 1.047 374 V CA 2.028 64.132 62.300 -0.326 0.000 1.015 374 V CB -1.566 30.049 31.823 -0.348 0.000 0.642 374 V HN 0.569 nan 8.190 nan 0.000 0.446 375 A N -0.236 122.241 122.820 -0.571 0.000 1.948 375 A HA -0.201 4.114 4.320 -0.008 0.000 0.220 375 A C 2.423 179.896 177.584 -0.186 0.000 1.177 375 A CA 2.254 54.020 52.037 -0.452 0.000 0.636 375 A CB -0.815 17.610 19.000 -0.958 0.000 0.815 375 A HN 0.341 nan 8.150 nan 0.000 0.449 376 V N 0.807 120.587 119.914 -0.224 0.000 2.332 376 V HA -0.284 3.831 4.120 -0.008 0.000 0.248 376 V C 2.501 178.518 176.094 -0.129 0.000 1.055 376 V CA 2.467 64.703 62.300 -0.107 0.000 1.038 376 V CB -0.786 30.990 31.823 -0.078 0.000 0.651 376 V HN 0.962 nan 8.190 nan 0.000 0.450 377 E N -0.482 119.606 120.200 -0.187 0.000 2.442 377 E HA -0.006 4.340 4.350 -0.008 0.000 0.195 377 E C 1.836 178.250 176.600 -0.310 0.000 1.030 377 E CA 0.565 56.843 56.400 -0.203 0.000 0.869 377 E CB -0.078 29.519 29.700 -0.171 0.000 0.857 377 E HN 0.526 nan 8.360 nan 0.000 0.505 378 L N -0.262 120.678 121.223 -0.472 0.000 2.513 378 L HA 0.244 4.579 4.340 -0.008 0.000 0.222 378 L C 0.046 176.170 176.870 -1.243 0.000 1.096 378 L CA 0.239 54.549 54.840 -0.883 0.000 0.857 378 L CB 0.243 41.605 42.059 -1.162 0.000 1.026 378 L HN 0.146 nan 8.230 nan 0.000 0.469 379 F N -0.444 119.399 119.950 -0.178 0.000 2.708 379 F HA 0.303 4.826 4.527 -0.007 0.000 0.344 379 F C -1.728 173.940 175.800 -0.220 0.000 1.447 379 F CA -1.332 56.517 58.000 -0.251 0.000 1.140 379 F CB 0.384 39.242 39.000 -0.236 0.000 1.657 379 F HN -0.199 nan 8.300 nan 0.000 0.598 380 P HA -0.192 nan 4.420 nan 0.000 0.219 380 P C 0.932 178.046 177.300 -0.310 0.000 1.146 380 P CA 1.420 64.406 63.100 -0.190 0.000 0.808 380 P CB 0.336 31.929 31.700 -0.177 0.000 0.779 381 Q N -0.806 118.860 119.800 -0.224 0.000 2.096 381 Q HA -0.187 4.149 4.340 -0.008 0.000 0.204 381 Q C 1.934 177.952 176.000 0.029 0.000 0.982 381 Q CA 1.539 57.245 55.803 -0.162 0.000 0.850 381 Q CB -1.313 27.319 28.738 -0.178 0.000 0.901 381 Q HN 0.324 nan 8.270 nan 0.000 0.422 382 Y N -0.208 120.136 120.300 0.074 0.000 2.571 382 Y HA -0.011 4.533 4.550 -0.009 0.000 0.294 382 Y C 0.067 176.086 175.900 0.200 0.000 1.141 382 Y CA 0.613 58.800 58.100 0.145 0.000 1.308 382 Y CB -0.674 37.854 38.460 0.113 0.000 1.002 382 Y HN 0.301 nan 8.280 nan 0.000 0.551 383 H N -1.551 117.656 119.070 0.229 0.000 2.756 383 H HA -0.156 4.395 4.556 -0.008 0.000 0.315 383 H C -0.126 175.297 175.328 0.157 0.000 1.210 383 H CA 0.206 56.345 56.048 0.151 0.000 1.150 383 H CB -1.985 27.847 29.762 0.117 0.000 1.463 383 H HN 0.157 nan 8.280 nan 0.000 0.427 384 L N 0.214 121.578 121.223 0.234 0.000 2.472 384 L HA 0.226 4.561 4.340 -0.008 0.000 0.260 384 L C 0.990 177.979 176.870 0.199 0.000 1.209 384 L CA 0.333 55.324 54.840 0.251 0.000 0.817 384 L CB 0.697 42.908 42.059 0.254 0.000 1.106 384 L HN 0.436 nan 8.230 nan 0.000 0.479 385 E N 0.185 120.526 120.200 0.235 0.000 2.244 385 E HA 0.340 4.686 4.350 -0.008 0.000 0.260 385 E C 0.186 176.943 176.600 0.261 0.000 0.884 385 E CA -0.427 56.083 56.400 0.184 0.000 0.777 385 E CB 1.851 31.636 29.700 0.140 0.000 1.197 385 E HN 0.680 nan 8.360 nan 0.000 0.416 386 A N 3.726 126.663 122.820 0.195 0.000 1.986 386 A HA -0.177 4.138 4.320 -0.008 0.000 0.220 386 A C 1.899 179.652 177.584 0.282 0.000 1.171 386 A CA 1.964 54.137 52.037 0.227 0.000 0.640 386 A CB -0.823 18.238 19.000 0.102 0.000 0.811 386 A HN 0.792 nan 8.150 nan 0.000 0.451 387 G N -0.502 108.413 108.800 0.190 0.000 2.485 387 G HA2 -0.260 3.695 3.960 -0.008 0.000 0.221 387 G HA3 -0.260 3.695 3.960 -0.008 0.000 0.221 387 G C 1.672 176.655 174.900 0.137 0.000 1.115 387 G CA 2.048 47.235 45.100 0.145 0.000 0.751 387 G HN 0.743 nan 8.290 nan 0.000 0.567 388 T N -1.897 112.752 114.554 0.157 0.000 2.896 388 T HA 0.049 4.395 4.350 -0.008 0.000 0.263 388 T C 2.058 176.790 174.700 0.053 0.000 1.050 388 T CA 0.657 62.783 62.100 0.044 0.000 1.140 388 T CB -0.400 68.453 68.868 -0.025 0.000 0.877 388 T HN 0.146 nan 8.240 nan 0.000 0.457 389 F N 2.162 122.250 119.950 0.230 0.000 2.293 389 F HA 0.303 4.826 4.527 -0.007 0.000 0.300 389 F C 2.851 178.759 175.800 0.181 0.000 1.086 389 F CA 0.484 58.643 58.000 0.266 0.000 1.375 389 F CB -0.683 38.458 39.000 0.236 0.000 1.045 389 F HN 0.272 nan 8.300 nan 0.000 0.516 390 A N 0.494 123.485 122.820 0.285 0.000 1.855 390 A HA -0.138 4.177 4.320 -0.008 0.000 0.215 390 A C 2.255 179.899 177.584 0.101 0.000 1.191 390 A CA 1.485 53.632 52.037 0.183 0.000 0.613 390 A CB -1.027 18.067 19.000 0.155 0.000 0.829 390 A HN 0.341 nan 8.150 nan 0.000 0.442 391 I N -0.292 120.311 120.570 0.055 0.000 2.286 391 I HA -0.283 3.882 4.170 -0.008 0.000 0.248 391 I C 2.901 178.975 176.117 -0.072 0.000 1.115 391 I CA 0.979 62.268 61.300 -0.019 0.000 1.392 391 I CB -0.227 37.748 38.000 -0.041 0.000 1.065 391 I HN 0.396 nan 8.210 nan 0.000 0.418 392 A N 0.448 123.227 122.820 -0.067 0.000 1.930 392 A HA -0.089 4.226 4.320 -0.008 0.000 0.217 392 A C 2.327 179.846 177.584 -0.110 0.000 1.175 392 A CA 1.729 53.694 52.037 -0.119 0.000 0.627 392 A CB -1.117 17.820 19.000 -0.105 0.000 0.815 392 A HN 0.455 nan 8.150 nan 0.000 0.443 393 G N -1.362 107.429 108.800 -0.016 0.000 2.712 393 G HA2 0.002 3.957 3.960 -0.008 0.000 0.212 393 G HA3 0.002 3.957 3.960 -0.008 0.000 0.212 393 G C 1.423 176.155 174.900 -0.281 0.000 1.142 393 G CA 0.700 45.741 45.100 -0.098 0.000 0.789 393 G HN 0.444 nan 8.290 nan 0.000 0.535 394 M N 1.016 120.526 119.600 -0.150 0.000 2.065 394 M HA -0.017 4.458 4.480 -0.008 0.000 0.259 394 M C 2.221 178.375 176.300 -0.244 0.000 1.069 394 M CA 1.869 57.088 55.300 -0.135 0.000 1.110 394 M CB -0.191 32.366 32.600 -0.073 0.000 1.328 394 M HN 0.205 nan 8.290 nan 0.000 0.405 395 G N -1.245 107.386 108.800 -0.282 0.000 3.262 395 G HA2 0.335 4.290 3.960 -0.008 0.000 0.228 395 G HA3 0.335 4.290 3.960 -0.008 0.000 0.228 395 G C 1.021 175.662 174.900 -0.432 0.000 1.197 395 G CA 0.520 45.424 45.100 -0.327 0.000 0.819 395 G HN 0.600 nan 8.290 nan 0.000 0.531 396 A N 0.132 122.557 122.820 -0.657 0.000 1.984 396 A HA 0.247 4.562 4.320 -0.008 0.000 0.214 396 A C 2.057 179.159 177.584 -0.803 0.000 1.173 396 A CA 0.631 52.139 52.037 -0.883 0.000 0.673 396 A CB -0.105 17.983 19.000 -1.520 0.000 0.830 396 A HN 0.366 nan 8.150 nan 0.000 0.453 397 L N -0.256 120.535 121.223 -0.720 0.000 2.156 397 L HA 0.072 4.407 4.340 -0.008 0.000 0.208 397 L C 2.066 178.739 176.870 -0.327 0.000 1.095 397 L CA 1.291 55.953 54.840 -0.297 0.000 0.770 397 L CB -0.437 41.536 42.059 -0.143 0.000 0.914 397 L HN 0.372 nan 8.230 nan 0.000 0.439 398 L N -0.937 120.036 121.223 -0.417 0.000 2.265 398 L HA -0.161 4.174 4.340 -0.008 0.000 0.215 398 L C 2.399 179.050 176.870 -0.365 0.000 1.117 398 L CA 0.929 55.479 54.840 -0.483 0.000 0.782 398 L CB -0.589 41.127 42.059 -0.572 0.000 0.914 398 L HN 0.374 nan 8.230 nan 0.000 0.441 399 A N -0.594 122.045 122.820 -0.303 0.000 1.943 399 A HA 0.140 4.455 4.320 -0.008 0.000 0.213 399 A C 2.197 179.682 177.584 -0.165 0.000 1.181 399 A CA 1.060 52.966 52.037 -0.218 0.000 0.653 399 A CB -0.244 18.632 19.000 -0.206 0.000 0.833 399 A HN 0.319 nan 8.150 nan 0.000 0.451 400 A N -1.404 121.327 122.820 -0.148 0.000 2.308 400 A HA 0.464 4.779 4.320 -0.008 0.000 0.217 400 A C 1.678 179.202 177.584 -0.100 0.000 1.216 400 A CA 1.084 53.069 52.037 -0.086 0.000 0.864 400 A CB -0.016 18.982 19.000 -0.003 0.000 0.902 400 A HN 0.334 nan 8.150 nan 0.000 0.499 401 S N -0.928 114.682 115.700 -0.150 0.000 3.186 401 S HA 0.184 4.649 4.470 -0.008 0.000 0.253 401 S C 1.258 175.738 174.600 -0.199 0.000 1.071 401 S CA 0.154 58.266 58.200 -0.148 0.000 0.796 401 S CB -0.034 63.089 63.200 -0.129 0.000 0.818 401 S HN 0.328 nan 8.310 nan 0.000 0.498 402 I N 2.140 122.526 120.570 -0.307 0.000 2.761 402 I HA 0.151 4.316 4.170 -0.008 0.000 0.261 402 I C 0.331 176.328 176.117 -0.200 0.000 1.198 402 I CA 0.742 61.830 61.300 -0.353 0.000 1.482 402 I CB -1.026 36.654 38.000 -0.532 0.000 1.100 402 I HN 0.281 nan 8.210 nan 0.000 0.445 403 R N 0.482 120.887 120.500 -0.158 0.000 3.516 403 R HA -0.191 4.144 4.340 -0.008 0.000 0.271 403 R C 0.418 176.684 176.300 -0.057 0.000 1.098 403 R CA 0.821 56.872 56.100 -0.083 0.000 0.732 403 R CB -2.763 27.527 30.300 -0.016 0.000 1.152 403 R HN 0.413 nan 8.270 nan 0.000 0.455 404 A N 0.175 122.919 122.820 -0.127 0.000 3.201 404 A HA 0.427 4.742 4.320 -0.008 0.000 0.312 404 A C -0.950 176.599 177.584 -0.058 0.000 1.011 404 A CA -1.009 50.989 52.037 -0.064 0.000 0.987 404 A CB 0.625 19.550 19.000 -0.126 0.000 1.060 404 A HN 0.000 nan 8.150 nan 0.000 0.505 405 P HA -0.200 nan 4.420 nan 0.000 0.214 405 P C 1.607 178.870 177.300 -0.061 0.000 1.163 405 P CA 0.792 63.838 63.100 -0.090 0.000 0.883 405 P CB 0.190 31.842 31.700 -0.080 0.000 0.788 406 L N -0.141 121.071 121.223 -0.019 0.000 2.127 406 L HA -0.114 4.221 4.340 -0.008 0.000 0.211 406 L C 2.188 179.066 176.870 0.013 0.000 1.089 406 L CA 2.166 57.005 54.840 -0.001 0.000 0.757 406 L CB -1.834 40.240 42.059 0.024 0.000 0.899 406 L HN -0.049 nan 8.230 nan 0.000 0.434 407 T N -0.753 113.828 114.554 0.046 0.000 2.701 407 T HA -0.085 4.260 4.350 -0.008 0.000 0.263 407 T C 1.713 176.407 174.700 -0.009 0.000 1.040 407 T CA 1.293 63.439 62.100 0.077 0.000 1.147 407 T CB -0.933 68.062 68.868 0.211 0.000 0.865 407 T HN 0.548 nan 8.240 nan 0.000 0.426 408 G N 1.270 110.026 108.800 -0.073 0.000 2.446 408 G HA2 -0.172 3.783 3.960 -0.008 0.000 0.217 408 G HA3 -0.172 3.783 3.960 -0.008 0.000 0.217 408 G C 1.567 176.377 174.900 -0.150 0.000 1.168 408 G CA 0.650 45.654 45.100 -0.160 0.000 0.771 408 G HN 0.484 nan 8.290 nan 0.000 0.551 409 I N 0.549 121.046 120.570 -0.122 0.000 2.208 409 I HA -0.164 4.001 4.170 -0.008 0.000 0.245 409 I C 2.607 178.677 176.117 -0.078 0.000 1.097 409 I CA 0.983 62.218 61.300 -0.107 0.000 1.363 409 I CB -0.116 37.831 38.000 -0.089 0.000 1.051 409 I HN 0.165 nan 8.210 nan 0.000 0.413 410 I N -0.314 120.224 120.570 -0.054 0.000 2.617 410 I HA -0.224 3.941 4.170 -0.008 0.000 0.256 410 I C 2.388 178.462 176.117 -0.072 0.000 1.167 410 I CA 0.581 61.856 61.300 -0.042 0.000 1.469 410 I CB -0.143 37.847 38.000 -0.016 0.000 1.098 410 I HN 0.243 nan 8.210 nan 0.000 0.436 411 L N 0.773 121.932 121.223 -0.106 0.000 1.989 411 L HA -0.176 4.159 4.340 -0.008 0.000 0.211 411 L C 2.437 179.196 176.870 -0.185 0.000 1.071 411 L CA 1.900 56.632 54.840 -0.181 0.000 0.749 411 L CB -0.592 41.306 42.059 -0.268 0.000 0.890 411 L HN -0.051 nan 8.230 nan 0.000 0.431 412 V N -0.294 119.520 119.914 -0.166 0.000 2.233 412 V HA -0.302 3.813 4.120 -0.008 0.000 0.247 412 V C 2.544 178.579 176.094 -0.099 0.000 1.050 412 V CA 1.932 64.148 62.300 -0.139 0.000 1.010 412 V CB -0.861 30.879 31.823 -0.138 0.000 0.637 412 V HN 0.591 nan 8.190 nan 0.000 0.444 413 L N 0.209 121.387 121.223 -0.075 0.000 2.129 413 L HA -0.202 4.133 4.340 -0.008 0.000 0.212 413 L C 2.203 179.051 176.870 -0.036 0.000 1.087 413 L CA 1.991 56.811 54.840 -0.033 0.000 0.757 413 L CB -0.776 41.288 42.059 0.010 0.000 0.896 413 L HN 0.408 nan 8.230 nan 0.000 0.434 414 E N -1.370 118.795 120.200 -0.058 0.000 2.299 414 E HA -0.091 4.254 4.350 -0.008 0.000 0.193 414 E C 2.002 178.568 176.600 -0.058 0.000 0.998 414 E CA 0.952 57.320 56.400 -0.054 0.000 0.851 414 E CB 0.036 29.701 29.700 -0.059 0.000 0.795 414 E HN 0.599 nan 8.360 nan 0.000 0.492 415 M N -0.549 119.004 119.600 -0.080 0.000 2.552 415 M HA -0.028 4.447 4.480 -0.008 0.000 0.264 415 M C 2.411 178.667 176.300 -0.074 0.000 1.159 415 M CA 1.152 56.398 55.300 -0.090 0.000 1.176 415 M CB 0.286 32.802 32.600 -0.140 0.000 1.327 415 M HN 0.066 nan 8.290 nan 0.000 0.481 416 T N -3.623 110.891 114.554 -0.066 0.000 3.037 416 T HA -0.007 4.338 4.350 -0.008 0.000 0.252 416 T C 0.600 175.282 174.700 -0.030 0.000 1.073 416 T CA 0.351 62.422 62.100 -0.048 0.000 1.091 416 T CB -0.128 68.710 68.868 -0.049 0.000 0.935 416 T HN 0.336 nan 8.240 nan 0.000 0.488 417 D N 2.040 122.426 120.400 -0.024 0.000 2.890 417 D HA -0.170 4.465 4.640 -0.008 0.000 0.226 417 D C -0.984 175.320 176.300 0.007 0.000 1.207 417 D CA 0.383 54.382 54.000 -0.002 0.000 0.764 417 D CB -1.831 38.965 40.800 -0.005 0.000 0.948 417 D HN 0.558 nan 8.370 nan 0.000 0.404 418 N N 1.851 120.554 118.700 0.006 0.000 2.765 418 N HA 0.007 4.742 4.740 -0.008 0.000 0.277 418 N C 0.361 175.866 175.510 -0.009 0.000 1.750 418 N CA -0.454 52.592 53.050 -0.008 0.000 0.827 418 N CB 0.236 38.697 38.487 -0.043 0.000 1.200 418 N HN 0.308 nan 8.380 nan 0.000 0.494 419 Y N 2.503 122.763 120.300 -0.066 0.000 2.315 419 Y HA -0.212 4.333 4.550 -0.008 0.000 0.288 419 Y C 2.516 178.367 175.900 -0.081 0.000 1.154 419 Y CA 1.847 59.904 58.100 -0.072 0.000 1.229 419 Y CB 0.337 38.764 38.460 -0.056 0.000 0.980 419 Y HN 0.398 nan 8.280 nan 0.000 0.540 420 Q N 0.331 119.997 119.800 -0.223 0.000 2.368 420 Q HA -0.168 4.167 4.340 -0.008 0.000 0.210 420 Q C 1.110 176.906 176.000 -0.340 0.000 0.982 420 Q CA 1.651 57.284 55.803 -0.283 0.000 0.884 420 Q CB -0.734 27.925 28.738 -0.131 0.000 0.933 420 Q HN 0.658 nan 8.270 nan 0.000 0.460 421 L N 0.412 121.439 121.223 -0.326 0.000 2.653 421 L HA 0.127 4.462 4.340 -0.008 0.000 0.231 421 L C 1.811 178.443 176.870 -0.397 0.000 1.153 421 L CA -0.353 54.276 54.840 -0.352 0.000 0.933 421 L CB -0.083 41.803 42.059 -0.288 0.000 1.175 421 L HN 0.092 nan 8.230 nan 0.000 0.473 422 I N 0.362 120.649 120.570 -0.471 0.000 2.226 422 I HA -0.309 3.856 4.170 -0.008 0.000 0.245 422 I C 2.207 178.138 176.117 -0.311 0.000 1.100 422 I CA 1.651 62.720 61.300 -0.385 0.000 1.374 422 I CB 0.015 37.711 38.000 -0.507 0.000 1.057 422 I HN 0.205 nan 8.210 nan 0.000 0.413 423 L N 0.606 121.630 121.223 -0.332 0.000 1.970 423 L HA -0.166 4.169 4.340 -0.008 0.000 0.212 423 L C -0.373 176.308 176.870 -0.314 0.000 1.071 423 L CA 1.852 56.537 54.840 -0.258 0.000 0.751 423 L CB -1.543 40.385 42.059 -0.218 0.000 0.889 423 L HN 0.176 nan 8.230 nan 0.000 0.432 424 P HA -0.198 nan 4.420 nan 0.000 0.216 424 P C 1.713 178.666 177.300 -0.577 0.000 1.150 424 P CA 1.727 64.326 63.100 -0.835 0.000 0.843 424 P CB -0.017 30.712 31.700 -1.618 0.000 0.787 425 M N -1.687 117.655 119.600 -0.431 0.000 2.077 425 M HA -0.106 4.369 4.480 -0.008 0.000 0.261 425 M C 2.194 178.372 176.300 -0.203 0.000 1.070 425 M CA 1.779 56.909 55.300 -0.283 0.000 1.125 425 M CB -0.909 31.550 32.600 -0.234 0.000 1.339 425 M HN -0.133 nan 8.290 nan 0.000 0.409 426 I N 0.521 120.984 120.570 -0.178 0.000 2.248 426 I HA -0.327 3.838 4.170 -0.008 0.000 0.248 426 I C 2.283 178.336 176.117 -0.105 0.000 1.107 426 I CA 1.460 62.686 61.300 -0.123 0.000 1.373 426 I CB -0.437 37.503 38.000 -0.099 0.000 1.055 426 I HN 0.301 nan 8.210 nan 0.000 0.418 427 I N 0.099 120.599 120.570 -0.117 0.000 2.193 427 I HA -0.234 3.931 4.170 -0.008 0.000 0.240 427 I C 2.541 178.634 176.117 -0.040 0.000 1.084 427 I CA 1.539 62.803 61.300 -0.061 0.000 1.365 427 I CB -0.751 37.229 38.000 -0.034 0.000 1.064 427 I HN 0.201 nan 8.210 nan 0.000 0.410 428 T N 0.720 115.241 114.554 -0.055 0.000 2.759 428 T HA -0.130 4.215 4.350 -0.008 0.000 0.269 428 T C 1.882 176.536 174.700 -0.077 0.000 1.042 428 T CA 1.468 63.549 62.100 -0.031 0.000 1.140 428 T CB -0.756 68.095 68.868 -0.028 0.000 0.864 428 T HN 0.591 nan 8.240 nan 0.000 0.455 429 G N 1.414 110.143 108.800 -0.118 0.000 2.484 429 G HA2 -0.145 3.810 3.960 -0.008 0.000 0.215 429 G HA3 -0.145 3.810 3.960 -0.008 0.000 0.215 429 G C 1.507 176.351 174.900 -0.094 0.000 1.219 429 G CA 0.797 45.817 45.100 -0.135 0.000 0.791 429 G HN 0.443 nan 8.290 nan 0.000 0.550 430 L N 1.267 122.447 121.223 -0.072 0.000 2.043 430 L HA 0.036 4.371 4.340 -0.008 0.000 0.212 430 L C 2.884 179.729 176.870 -0.041 0.000 1.075 430 L CA 2.387 57.194 54.840 -0.055 0.000 0.752 430 L CB -0.719 41.316 42.059 -0.040 0.000 0.891 430 L HN 0.225 nan 8.230 nan 0.000 0.432 431 G N -1.309 107.480 108.800 -0.019 0.000 2.450 431 G HA2 -0.283 3.672 3.960 -0.008 0.000 0.220 431 G HA3 -0.283 3.672 3.960 -0.008 0.000 0.220 431 G C 1.542 176.449 174.900 0.011 0.000 1.130 431 G CA 0.817 45.923 45.100 0.011 0.000 0.760 431 G HN 0.629 nan 8.290 nan 0.000 0.557 432 A N 0.238 123.056 122.820 -0.004 0.000 1.874 432 A HA 0.076 4.391 4.320 -0.008 0.000 0.214 432 A C 2.540 180.104 177.584 -0.034 0.000 1.189 432 A CA 2.233 54.277 52.037 0.011 0.000 0.615 432 A CB -0.843 18.152 19.000 -0.009 0.000 0.830 432 A HN 0.264 nan 8.150 nan 0.000 0.443 433 T N 0.604 115.115 114.554 -0.072 0.000 2.720 433 T HA -0.122 4.223 4.350 -0.008 0.000 0.268 433 T C 1.834 176.447 174.700 -0.145 0.000 1.037 433 T CA 1.468 63.509 62.100 -0.099 0.000 1.144 433 T CB -0.381 68.430 68.868 -0.096 0.000 0.864 433 T HN 0.305 nan 8.240 nan 0.000 0.444 434 L N 0.273 121.404 121.223 -0.153 0.000 1.994 434 L HA -0.042 4.294 4.340 -0.008 0.000 0.208 434 L C 2.461 179.170 176.870 -0.269 0.000 1.071 434 L CA 1.000 55.673 54.840 -0.278 0.000 0.745 434 L CB -0.347 41.621 42.059 -0.150 0.000 0.892 434 L HN 0.234 nan 8.230 nan 0.000 0.431 435 L N -0.825 120.365 121.223 -0.056 0.000 2.217 435 L HA -0.116 4.219 4.340 -0.008 0.000 0.211 435 L C 2.758 179.639 176.870 0.019 0.000 1.107 435 L CA 1.506 56.375 54.840 0.048 0.000 0.783 435 L CB -1.378 40.734 42.059 0.088 0.000 0.919 435 L HN 0.257 nan 8.230 nan 0.000 0.442 436 A N -0.592 122.210 122.820 -0.031 0.000 1.902 436 A HA -0.268 4.047 4.320 -0.008 0.000 0.217 436 A C 2.270 179.826 177.584 -0.048 0.000 1.181 436 A CA 1.703 53.719 52.037 -0.035 0.000 0.623 436 A CB -0.464 18.505 19.000 -0.052 0.000 0.818 436 A HN 0.465 nan 8.150 nan 0.000 0.443 437 Q N -1.317 118.408 119.800 -0.125 0.000 1.942 437 Q HA -0.180 4.155 4.340 -0.008 0.000 0.203 437 Q C 1.825 177.817 176.000 -0.012 0.000 0.987 437 Q CA 1.887 57.603 55.803 -0.145 0.000 0.844 437 Q CB -0.302 28.229 28.738 -0.344 0.000 0.911 437 Q HN 0.567 nan 8.270 nan 0.000 0.423 438 F N 0.752 120.709 119.950 0.012 0.000 2.250 438 F HA -0.156 4.366 4.527 -0.008 0.000 0.301 438 F C 2.574 178.382 175.800 0.013 0.000 1.077 438 F CA 1.625 59.633 58.000 0.013 0.000 1.348 438 F CB -1.168 37.842 39.000 0.016 0.000 1.040 438 F HN 0.293 nan 8.300 nan 0.000 0.509 439 T N -2.747 111.917 114.554 0.183 0.000 3.148 439 T HA 0.380 4.725 4.350 -0.008 0.000 0.253 439 T C 1.264 176.008 174.700 0.073 0.000 1.134 439 T CA 0.454 62.620 62.100 0.109 0.000 1.051 439 T CB -0.462 68.451 68.868 0.076 0.000 0.959 439 T HN 0.503 nan 8.240 nan 0.000 0.525 440 G N -0.121 108.724 108.800 0.076 0.000 2.734 440 G HA2 0.294 4.249 3.960 -0.008 0.000 0.277 440 G HA3 0.294 4.249 3.960 -0.008 0.000 0.277 440 G C 0.027 174.941 174.900 0.023 0.000 1.099 440 G CA -0.466 44.665 45.100 0.052 0.000 1.218 440 G HN 1.052 nan 8.290 nan 0.000 0.554 441 G N 0.257 109.063 108.800 0.011 0.000 2.733 441 G HA2 0.994 4.949 3.960 -0.008 0.000 0.288 441 G HA3 0.994 4.949 3.960 -0.008 0.000 0.288 441 G C -0.719 174.180 174.900 -0.001 0.000 1.373 441 G CA -0.188 44.907 45.100 -0.008 0.000 0.895 441 G HN 1.048 nan 8.290 nan 0.000 0.479 442 K N -0.278 120.122 120.400 0.000 0.000 2.546 442 K HA 0.441 4.756 4.320 -0.008 0.000 0.264 442 K C -3.322 173.296 176.600 0.030 0.000 0.937 442 K CA -1.936 54.365 56.287 0.024 0.000 0.833 442 K CB 1.670 34.196 32.500 0.043 0.000 1.378 442 K HN 0.205 nan 8.250 nan 0.000 0.432 443 P HA -0.047 nan 4.420 nan 0.000 0.260 443 P C 0.872 178.230 177.300 0.096 0.000 1.185 443 P CA -0.258 62.892 63.100 0.084 0.000 0.763 443 P CB 0.318 32.125 31.700 0.179 0.000 0.776 444 L N 5.130 126.368 121.223 0.026 0.000 2.046 444 L HA -0.199 4.136 4.340 -0.008 0.000 0.208 444 L C 1.586 178.583 176.870 0.211 0.000 1.077 444 L CA 2.031 56.900 54.840 0.048 0.000 0.747 444 L CB -1.076 40.944 42.059 -0.066 0.000 0.896 444 L HN 0.317 nan 8.230 nan 0.000 0.432 445 Y N -0.774 119.631 120.300 0.176 0.000 2.574 445 Y HA -0.053 4.492 4.550 -0.008 0.000 0.294 445 Y C 2.712 178.721 175.900 0.182 0.000 1.142 445 Y CA 0.776 59.010 58.100 0.224 0.000 1.314 445 Y CB -0.787 37.870 38.460 0.328 0.000 0.991 445 Y HN 0.274 nan 8.280 nan 0.000 0.555 446 S N -0.885 114.997 115.700 0.305 0.000 2.427 446 S HA 0.079 4.544 4.470 -0.008 0.000 0.224 446 S C 2.273 176.957 174.600 0.140 0.000 1.047 446 S CA 0.561 58.876 58.200 0.191 0.000 0.953 446 S CB -0.219 63.086 63.200 0.175 0.000 0.824 446 S HN 0.391 nan 8.310 nan 0.000 0.502 447 A N 1.080 123.982 122.820 0.137 0.000 2.070 447 A HA 0.014 4.330 4.320 -0.008 0.000 0.220 447 A C 1.887 179.536 177.584 0.108 0.000 1.159 447 A CA 1.017 53.116 52.037 0.103 0.000 0.656 447 A CB -0.580 18.471 19.000 0.085 0.000 0.800 447 A HN 0.495 nan 8.150 nan 0.000 0.453 448 I N -1.282 119.379 120.570 0.153 0.000 2.400 448 I HA -0.102 4.063 4.170 -0.008 0.000 0.248 448 I C 2.334 178.511 176.117 0.099 0.000 1.109 448 I CA 0.816 62.204 61.300 0.148 0.000 1.425 448 I CB -0.053 38.086 38.000 0.233 0.000 1.094 448 I HN 0.419 nan 8.210 nan 0.000 0.425 449 L N 0.728 122.008 121.223 0.094 0.000 2.141 449 L HA -0.091 4.244 4.340 -0.008 0.000 0.209 449 L C 2.588 179.472 176.870 0.024 0.000 1.094 449 L CA 1.429 56.295 54.840 0.044 0.000 0.763 449 L CB -0.278 41.797 42.059 0.026 0.000 0.908 449 L HN 0.182 nan 8.230 nan 0.000 0.437 450 A N 0.056 122.897 122.820 0.035 0.000 2.024 450 A HA -0.199 4.116 4.320 -0.008 0.000 0.220 450 A C 2.341 179.937 177.584 0.019 0.000 1.164 450 A CA 1.685 53.734 52.037 0.020 0.000 0.643 450 A CB -0.454 18.567 19.000 0.035 0.000 0.806 450 A HN 0.534 nan 8.150 nan 0.000 0.451 451 R N -0.988 119.530 120.500 0.030 0.000 2.064 451 R HA -0.039 4.297 4.340 -0.008 0.000 0.221 451 R C 2.465 178.772 176.300 0.011 0.000 1.136 451 R CA 1.612 57.725 56.100 0.021 0.000 0.980 451 R CB -1.013 29.304 30.300 0.029 0.000 0.876 451 R HN 0.680 nan 8.270 nan 0.000 0.437 452 T N 0.459 115.021 114.554 0.014 0.000 2.849 452 T HA -0.081 4.264 4.350 -0.008 0.000 0.270 452 T C 2.043 176.741 174.700 -0.002 0.000 1.066 452 T CA 1.000 63.103 62.100 0.005 0.000 1.130 452 T CB -0.270 68.601 68.868 0.006 0.000 0.864 452 T HN 0.082 nan 8.240 nan 0.000 0.481 453 L N 0.506 121.727 121.223 -0.004 0.000 2.095 453 L HA 0.159 4.494 4.340 -0.008 0.000 0.204 453 L C 3.322 180.187 176.870 -0.008 0.000 1.080 453 L CA 1.048 55.881 54.840 -0.011 0.000 0.759 453 L CB -0.773 41.273 42.059 -0.022 0.000 0.914 453 L HN 0.364 nan 8.230 nan 0.000 0.439 454 A N 0.210 123.028 122.820 -0.004 0.000 1.898 454 A HA -0.218 4.097 4.320 -0.008 0.000 0.216 454 A C 2.305 179.888 177.584 -0.002 0.000 1.181 454 A CA 1.612 53.648 52.037 -0.001 0.000 0.620 454 A CB -0.326 18.676 19.000 0.003 0.000 0.819 454 A HN 0.245 nan 8.150 nan 0.000 0.442 455 K N -0.775 119.623 120.400 -0.003 0.000 2.097 455 K HA -0.179 4.137 4.320 -0.008 0.000 0.206 455 K C 2.369 178.968 176.600 -0.003 0.000 1.049 455 K CA 1.497 57.781 56.287 -0.006 0.000 0.933 455 K CB -0.120 32.372 32.500 -0.013 0.000 0.717 455 K HN 0.674 nan 8.250 nan 0.000 0.442 456 Q N 0.668 120.467 119.800 -0.003 0.000 2.050 456 Q HA -0.232 4.103 4.340 -0.008 0.000 0.202 456 Q C 1.611 177.610 176.000 -0.000 0.000 0.980 456 Q CA 1.732 57.533 55.803 -0.002 0.000 0.840 456 Q CB 0.151 28.886 28.738 -0.005 0.000 0.898 456 Q HN 0.173 nan 8.270 nan 0.000 0.424 457 E N 0.062 120.262 120.200 -0.001 0.000 2.046 457 E HA -0.052 4.293 4.350 -0.008 0.000 0.190 457 E C 1.678 178.280 176.600 0.002 0.000 0.982 457 E CA 1.163 57.563 56.400 0.000 0.000 0.800 457 E CB -0.292 29.407 29.700 -0.001 0.000 0.756 457 E HN 0.454 nan 8.360 nan 0.000 0.449 458 A N 0.903 123.724 122.820 0.002 0.000 2.194 458 A HA -0.165 4.150 4.320 -0.008 0.000 0.220 458 A C 1.121 178.708 177.584 0.006 0.000 1.162 458 A CA 1.099 53.139 52.037 0.004 0.000 0.674 458 A CB -0.288 18.714 19.000 0.004 0.000 0.789 458 A HN 0.040 nan 8.150 nan 0.000 0.470 459 E N 0.241 120.445 120.200 0.006 0.000 2.336 459 E HA 0.203 4.548 4.350 -0.008 0.000 0.214 459 E C -0.150 176.454 176.600 0.007 0.000 1.144 459 E CA 0.152 56.557 56.400 0.008 0.000 1.294 459 E CB -0.080 29.626 29.700 0.009 0.000 1.263 459 E HN 0.762 nan 8.360 nan 0.000 0.439 460 Q N 0.000 119.804 119.800 0.007 0.000 2.315 460 Q HA 0.000 4.335 4.340 -0.008 0.000 0.214 460 Q CA 0.000 55.807 55.803 0.006 0.000 1.022 460 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481