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 2ht4_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 ILFIIEEMRP 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 QFTGGKPLWS 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 56.091 56.100 -0.015 0.000 0.921 17 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 18 R N 1.888 122.380 120.500 -0.014 0.000 2.062 18 R HA 0.058 4.394 4.340 -0.005 0.000 0.229 18 R C 1.967 178.260 176.300 -0.013 0.000 1.128 18 R CA 1.688 57.780 56.100 -0.013 0.000 0.960 18 R CB -0.049 30.245 30.300 -0.011 0.000 0.855 18 R HN 0.249 nan 8.270 nan 0.000 0.432 19 R N 0.830 121.324 120.500 -0.011 0.000 2.096 19 R HA -0.255 4.082 4.340 -0.005 0.000 0.240 19 R C 2.526 178.819 176.300 -0.012 0.000 1.139 19 R CA 2.374 58.468 56.100 -0.010 0.000 0.952 19 R CB -0.315 29.980 30.300 -0.008 0.000 0.854 19 R HN 0.364 nan 8.270 nan 0.000 0.436 20 Q N 0.312 120.104 119.800 -0.014 0.000 2.135 20 Q HA -0.198 4.139 4.340 -0.005 0.000 0.204 20 Q C 1.873 177.860 176.000 -0.021 0.000 0.981 20 Q CA 1.929 57.722 55.803 -0.017 0.000 0.856 20 Q CB -0.458 28.268 28.738 -0.019 0.000 0.902 20 Q HN 0.447 nan 8.270 nan 0.000 0.425 21 L N -0.132 121.078 121.223 -0.023 0.000 2.109 21 L HA 0.063 4.400 4.340 -0.005 0.000 0.207 21 L C 2.023 178.882 176.870 -0.019 0.000 1.086 21 L CA 1.483 56.308 54.840 -0.026 0.000 0.760 21 L CB -0.329 41.714 42.059 -0.026 0.000 0.910 21 L HN 0.403 nan 8.230 nan 0.000 0.437 22 I N -0.686 119.875 120.570 -0.015 0.000 2.567 22 I HA -0.232 3.935 4.170 -0.005 0.000 0.257 22 I C 2.535 178.646 176.117 -0.010 0.000 1.184 22 I CA 0.902 62.195 61.300 -0.012 0.000 1.451 22 I CB -0.308 37.686 38.000 -0.010 0.000 1.089 22 I HN 0.262 nan 8.210 nan 0.000 0.441 23 R N 1.106 121.600 120.500 -0.011 0.000 2.073 23 R HA -0.115 4.222 4.340 -0.005 0.000 0.229 23 R C 2.095 178.390 176.300 -0.008 0.000 1.120 23 R CA 1.648 57.743 56.100 -0.009 0.000 0.967 23 R CB -0.347 29.948 30.300 -0.008 0.000 0.862 23 R HN 0.357 nan 8.270 nan 0.000 0.436 24 Q N -0.174 119.618 119.800 -0.013 0.000 2.123 24 Q HA -0.002 4.335 4.340 -0.005 0.000 0.199 24 Q C 2.169 178.164 176.000 -0.010 0.000 0.966 24 Q CA 1.374 57.170 55.803 -0.013 0.000 0.845 24 Q CB -0.069 28.654 28.738 -0.026 0.000 0.907 24 Q HN 0.284 nan 8.270 nan 0.000 0.439 25 L N 0.331 121.547 121.223 -0.012 0.000 1.989 25 L HA -0.221 4.116 4.340 -0.005 0.000 0.211 25 L C 2.108 178.974 176.870 -0.007 0.000 1.071 25 L CA 1.152 55.986 54.840 -0.010 0.000 0.749 25 L CB -0.316 41.736 42.059 -0.011 0.000 0.890 25 L HN 0.255 nan 8.230 nan 0.000 0.431 26 L N -0.758 120.461 121.223 -0.006 0.000 2.456 26 L HA -0.128 4.209 4.340 -0.005 0.000 0.224 26 L C 1.885 178.753 176.870 -0.003 0.000 1.148 26 L CA 0.533 55.370 54.840 -0.005 0.000 0.825 26 L CB -0.202 41.854 42.059 -0.005 0.000 0.937 26 L HN 0.241 nan 8.230 nan 0.000 0.450 27 E N -0.543 119.656 120.200 -0.001 0.000 2.498 27 E HA 0.116 4.463 4.350 -0.005 0.000 0.203 27 E C 0.450 177.054 176.600 0.006 0.000 1.013 27 E CA -0.079 56.322 56.400 0.002 0.000 0.927 27 E CB 0.368 30.071 29.700 0.004 0.000 1.012 27 E HN 0.305 nan 8.360 nan 0.000 0.482 28 R N 1.624 122.126 120.500 0.004 0.000 2.694 28 R HA -0.039 4.298 4.340 -0.005 0.000 0.268 28 R C -0.172 176.131 176.300 0.004 0.000 1.061 28 R CA 0.281 56.385 56.100 0.007 0.000 1.133 28 R CB 0.266 30.568 30.300 0.004 0.000 1.020 28 R HN -0.133 nan 8.270 nan 0.000 0.475 29 D N 1.688 122.092 120.400 0.007 0.000 2.746 29 D HA -0.161 4.476 4.640 -0.005 0.000 0.241 29 D C -1.326 174.973 176.300 -0.002 0.000 1.140 29 D CA 1.209 55.208 54.000 -0.002 0.000 0.707 29 D CB -0.516 40.273 40.800 -0.017 0.000 1.034 29 D HN 0.483 nan 8.370 nan 0.000 0.423 30 K N 1.050 121.454 120.400 0.007 0.000 2.762 30 K HA 0.248 4.564 4.320 -0.005 0.000 0.180 30 K C -0.598 176.010 176.600 0.013 0.000 1.067 30 K CA -0.522 55.769 56.287 0.007 0.000 0.973 30 K CB 0.944 33.449 32.500 0.008 0.000 1.290 30 K HN 0.072 nan 8.250 nan 0.000 0.604 31 T N 2.546 117.107 114.554 0.011 0.000 2.794 31 T HA 0.191 4.538 4.350 -0.005 0.000 0.296 31 T C -2.308 172.403 174.700 0.018 0.000 0.949 31 T CA -1.490 60.620 62.100 0.016 0.000 1.101 31 T CB 0.603 69.480 68.868 0.014 0.000 0.905 31 T HN 0.128 nan 8.240 nan 0.000 0.516 32 P HA 0.059 nan 4.420 nan 0.000 0.261 32 P C 1.043 178.359 177.300 0.027 0.000 1.183 32 P CA -0.260 62.852 63.100 0.021 0.000 0.761 32 P CB 0.425 32.139 31.700 0.022 0.000 0.785 33 L N 3.592 124.830 121.223 0.024 0.000 2.197 33 L HA -0.292 4.045 4.340 -0.005 0.000 0.215 33 L C 1.954 178.857 176.870 0.054 0.000 1.095 33 L CA 1.998 56.859 54.840 0.036 0.000 0.764 33 L CB -0.482 41.588 42.059 0.017 0.000 0.897 33 L HN 0.438 nan 8.230 nan 0.000 0.436 34 A N 0.489 123.331 122.820 0.036 0.000 1.865 34 A HA -0.218 4.099 4.320 -0.005 0.000 0.217 34 A C 2.104 179.729 177.584 0.069 0.000 1.191 34 A CA 2.136 54.199 52.037 0.044 0.000 0.623 34 A CB -0.788 18.230 19.000 0.029 0.000 0.826 34 A HN 0.545 nan 8.150 nan 0.000 0.444 35 I N -0.418 120.179 120.570 0.046 0.000 2.546 35 I HA -0.173 3.994 4.170 -0.005 0.000 0.255 35 I C 2.176 178.311 176.117 0.030 0.000 1.163 35 I CA 0.737 62.054 61.300 0.029 0.000 1.457 35 I CB -0.475 37.538 38.000 0.022 0.000 1.092 35 I HN 0.268 nan 8.210 nan 0.000 0.434 36 L N -0.080 121.174 121.223 0.052 0.000 2.093 36 L HA -0.191 4.145 4.340 -0.005 0.000 0.208 36 L C 2.594 179.496 176.870 0.053 0.000 1.085 36 L CA 1.302 56.171 54.840 0.048 0.000 0.755 36 L CB -0.549 41.544 42.059 0.056 0.000 0.904 36 L HN 0.175 nan 8.230 nan 0.000 0.435 37 F N 0.393 120.311 119.950 -0.054 0.000 2.146 37 F HA -0.210 4.314 4.527 -0.005 0.000 0.298 37 F C 2.535 178.265 175.800 -0.117 0.000 1.096 37 F CA 1.357 59.313 58.000 -0.073 0.000 1.275 37 F CB -0.026 38.929 39.000 -0.075 0.000 1.008 37 F HN -0.039 nan 8.300 nan 0.000 0.480 38 M N 0.156 119.722 119.600 -0.057 0.000 2.213 38 M HA -0.112 4.365 4.480 -0.005 0.000 0.263 38 M C 2.459 178.633 176.300 -0.210 0.000 1.062 38 M CA 1.401 56.583 55.300 -0.197 0.000 1.105 38 M CB -2.012 30.506 32.600 -0.138 0.000 1.385 38 M HN 0.302 nan 8.290 nan 0.000 0.417 39 A N 0.438 123.172 122.820 -0.143 0.000 1.902 39 A HA 0.010 4.326 4.320 -0.005 0.000 0.217 39 A C 2.492 179.979 177.584 -0.162 0.000 1.181 39 A CA 2.040 54.007 52.037 -0.117 0.000 0.623 39 A CB -0.909 18.056 19.000 -0.057 0.000 0.818 39 A HN 0.455 nan 8.150 nan 0.000 0.443 40 A N -0.571 122.114 122.820 -0.225 0.000 1.892 40 A HA -0.100 4.217 4.320 -0.005 0.000 0.218 40 A C 2.291 179.707 177.584 -0.280 0.000 1.188 40 A CA 2.042 53.922 52.037 -0.262 0.000 0.631 40 A CB -1.137 17.625 19.000 -0.396 0.000 0.822 40 A HN 0.416 nan 8.150 nan 0.000 0.447 41 V N -0.399 119.287 119.914 -0.380 0.000 2.261 41 V HA -0.253 3.864 4.120 -0.005 0.000 0.246 41 V C 2.634 178.604 176.094 -0.206 0.000 1.047 41 V CA 2.114 64.229 62.300 -0.309 0.000 1.015 41 V CB -0.668 30.929 31.823 -0.377 0.000 0.642 41 V HN 0.395 nan 8.190 nan 0.000 0.446 42 V N 0.723 120.520 119.914 -0.196 0.000 2.278 42 V HA -0.286 3.831 4.120 -0.005 0.000 0.251 42 V C 2.601 178.622 176.094 -0.121 0.000 1.062 42 V CA 2.404 64.614 62.300 -0.150 0.000 1.038 42 V CB -1.591 30.153 31.823 -0.133 0.000 0.646 42 V HN 0.641 nan 8.190 nan 0.000 0.447 43 G N -0.422 108.310 108.800 -0.114 0.000 2.421 43 G HA2 -0.254 3.703 3.960 -0.005 0.000 0.216 43 G HA3 -0.254 3.703 3.960 -0.005 0.000 0.216 43 G C 1.671 176.524 174.900 -0.078 0.000 1.171 43 G CA 1.593 46.641 45.100 -0.088 0.000 0.775 43 G HN 0.504 nan 8.290 nan 0.000 0.543 44 T N 1.476 115.977 114.554 -0.089 0.000 2.652 44 T HA -0.081 4.266 4.350 -0.005 0.000 0.267 44 T C 2.400 177.062 174.700 -0.064 0.000 1.039 44 T CA 1.107 63.168 62.100 -0.066 0.000 1.153 44 T CB -0.309 68.512 68.868 -0.078 0.000 0.863 44 T HN 0.141 nan 8.240 nan 0.000 0.428 45 L N 0.755 121.927 121.223 -0.086 0.000 1.955 45 L HA -0.136 4.200 4.340 -0.005 0.000 0.213 45 L C 2.768 179.586 176.870 -0.087 0.000 1.072 45 L CA 1.246 56.033 54.840 -0.089 0.000 0.755 45 L CB -0.829 41.166 42.059 -0.106 0.000 0.888 45 L HN 0.122 nan 8.230 nan 0.000 0.432 46 V N 0.161 120.020 119.914 -0.091 0.000 2.453 46 V HA -0.289 3.828 4.120 -0.005 0.000 0.252 46 V C 2.507 178.560 176.094 -0.068 0.000 1.068 46 V CA 1.994 64.241 62.300 -0.087 0.000 1.070 46 V CB -1.539 30.229 31.823 -0.091 0.000 0.664 46 V HN 0.648 nan 8.190 nan 0.000 0.461 47 G N -0.239 108.529 108.800 -0.053 0.000 2.414 47 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.215 47 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.215 47 G C 1.559 176.434 174.900 -0.042 0.000 1.188 47 G CA 0.948 46.035 45.100 -0.023 0.000 0.783 47 G HN 0.451 nan 8.290 nan 0.000 0.537 48 L N 0.884 122.065 121.223 -0.069 0.000 1.990 48 L HA -0.160 4.177 4.340 -0.005 0.000 0.213 48 L C 3.480 180.284 176.870 -0.109 0.000 1.072 48 L CA 1.275 56.037 54.840 -0.130 0.000 0.755 48 L CB -0.580 41.416 42.059 -0.105 0.000 0.889 48 L HN 0.316 nan 8.230 nan 0.000 0.432 49 A N 0.004 122.782 122.820 -0.071 0.000 1.903 49 A HA -0.288 4.028 4.320 -0.005 0.000 0.219 49 A C 2.477 180.112 177.584 0.084 0.000 1.191 49 A CA 2.294 54.320 52.037 -0.019 0.000 0.638 49 A CB -0.848 18.118 19.000 -0.057 0.000 0.823 49 A HN 0.471 nan 8.150 nan 0.000 0.451 50 A N -0.986 121.846 122.820 0.019 0.000 1.968 50 A HA 0.117 4.433 4.320 -0.005 0.000 0.217 50 A C 2.208 179.844 177.584 0.088 0.000 1.169 50 A CA 1.529 53.593 52.037 0.044 0.000 0.638 50 A CB -0.739 18.250 19.000 -0.018 0.000 0.812 50 A HN 0.391 nan 8.150 nan 0.000 0.446 51 V N -0.056 119.854 119.914 -0.006 0.000 2.295 51 V HA -0.239 3.878 4.120 -0.005 0.000 0.246 51 V C 3.053 179.090 176.094 -0.094 0.000 1.049 51 V CA 1.913 64.149 62.300 -0.106 0.000 1.024 51 V CB -1.241 30.353 31.823 -0.382 0.000 0.648 51 V HN 0.596 nan 8.190 nan 0.000 0.447 52 A N -0.388 122.396 122.820 -0.060 0.000 1.877 52 A HA -0.245 4.072 4.320 -0.005 0.000 0.216 52 A C 2.133 179.769 177.584 0.087 0.000 1.186 52 A CA 2.036 54.081 52.037 0.014 0.000 0.620 52 A CB -0.787 18.257 19.000 0.074 0.000 0.822 52 A HN 0.514 nan 8.150 nan 0.000 0.443 53 F N 1.073 121.028 119.950 0.009 0.000 2.126 53 F HA -0.227 4.297 4.527 -0.006 0.000 0.299 53 F C 1.975 177.685 175.800 -0.149 0.000 1.096 53 F CA 2.160 60.036 58.000 -0.206 0.000 1.255 53 F CB -0.159 38.723 39.000 -0.198 0.000 0.997 53 F HN 0.316 nan 8.300 nan 0.000 0.479 54 D N 0.351 120.794 120.400 0.071 0.000 2.104 54 D HA -0.178 4.459 4.640 -0.005 0.000 0.194 54 D C 2.064 178.331 176.300 -0.055 0.000 0.994 54 D CA 1.248 55.265 54.000 0.028 0.000 0.830 54 D CB -0.045 40.814 40.800 0.098 0.000 0.959 54 D HN 0.199 nan 8.370 nan 0.000 0.452 55 K N 0.084 120.453 120.400 -0.053 0.000 2.057 55 K HA -0.032 4.285 4.320 -0.005 0.000 0.206 55 K C 2.214 178.798 176.600 -0.027 0.000 1.050 55 K CA 1.029 57.302 56.287 -0.024 0.000 0.935 55 K CB -0.924 31.558 32.500 -0.030 0.000 0.715 55 K HN 0.220 nan 8.250 nan 0.000 0.439 56 G N 1.484 110.206 108.800 -0.130 0.000 2.459 56 G HA2 -0.229 3.728 3.960 -0.005 0.000 0.217 56 G HA3 -0.229 3.728 3.960 -0.005 0.000 0.217 56 G C 1.685 176.528 174.900 -0.096 0.000 1.183 56 G CA 1.147 46.159 45.100 -0.146 0.000 0.776 56 G HN 0.138 nan 8.290 nan 0.000 0.552 57 V N 1.538 121.292 119.914 -0.267 0.000 2.490 57 V HA -0.109 4.008 4.120 -0.005 0.000 0.250 57 V C 3.234 179.308 176.094 -0.034 0.000 1.061 57 V CA 1.863 64.045 62.300 -0.196 0.000 1.064 57 V CB -0.853 30.790 31.823 -0.300 0.000 0.670 57 V HN 0.508 nan 8.190 nan 0.000 0.461 58 A N -0.721 122.106 122.820 0.010 0.000 1.855 58 A HA -0.245 4.072 4.320 -0.005 0.000 0.215 58 A C 1.938 179.585 177.584 0.106 0.000 1.191 58 A CA 1.718 53.791 52.037 0.061 0.000 0.613 58 A CB -0.898 18.148 19.000 0.075 0.000 0.829 58 A HN 0.661 nan 8.150 nan 0.000 0.442 59 W N 0.781 122.053 121.300 -0.047 0.000 2.317 59 W HA -0.223 4.434 4.660 -0.005 0.000 0.318 59 W C 1.889 178.389 176.519 -0.032 0.000 1.227 59 W CA 2.280 59.606 57.345 -0.031 0.000 1.269 59 W CB -0.376 29.064 29.460 -0.034 0.000 1.155 59 W HN 0.264 nan 8.180 nan 0.000 0.484 60 L N -0.054 121.342 121.223 0.287 0.000 2.131 60 L HA -0.254 4.083 4.340 -0.005 0.000 0.210 60 L C 2.497 179.342 176.870 -0.042 0.000 1.092 60 L CA 1.530 56.433 54.840 0.105 0.000 0.759 60 L CB -0.971 41.177 42.059 0.149 0.000 0.903 60 L HN 0.131 nan 8.230 nan 0.000 0.435 61 Q N -0.463 119.325 119.800 -0.019 0.000 2.297 61 Q HA -0.152 4.185 4.340 -0.005 0.000 0.204 61 Q C 2.046 178.014 176.000 -0.053 0.000 0.962 61 Q CA 0.931 56.721 55.803 -0.022 0.000 0.879 61 Q CB 0.066 28.808 28.738 0.007 0.000 0.947 61 Q HN 0.486 nan 8.270 nan 0.000 0.462 62 N N -0.693 117.942 118.700 -0.108 0.000 2.251 62 N HA -0.150 4.586 4.740 -0.005 0.000 0.181 62 N C 1.481 176.856 175.510 -0.226 0.000 1.019 62 N CA 0.540 53.503 53.050 -0.146 0.000 0.862 62 N CB 0.287 38.678 38.487 -0.160 0.000 0.992 62 N HN 0.165 nan 8.380 nan 0.000 0.429 63 Q N 1.343 120.915 119.800 -0.381 0.000 2.030 63 Q HA -0.134 4.203 4.340 -0.005 0.000 0.204 63 Q C 2.103 177.986 176.000 -0.196 0.000 0.986 63 Q CA 1.333 56.904 55.803 -0.387 0.000 0.843 63 Q CB -0.659 27.763 28.738 -0.528 0.000 0.904 63 Q HN 0.437 nan 8.270 nan 0.000 0.420 64 R N -0.301 120.115 120.500 -0.141 0.000 2.117 64 R HA -0.123 4.214 4.340 -0.005 0.000 0.243 64 R C 2.176 178.448 176.300 -0.046 0.000 1.143 64 R CA 1.555 57.611 56.100 -0.074 0.000 0.968 64 R CB -0.279 29.997 30.300 -0.039 0.000 0.863 64 R HN 0.174 nan 8.270 nan 0.000 0.444 65 M N -0.579 118.998 119.600 -0.038 0.000 2.492 65 M HA 0.041 4.518 4.480 -0.005 0.000 0.262 65 M C 1.887 178.183 176.300 -0.006 0.000 1.090 65 M CA 0.975 56.280 55.300 0.007 0.000 1.110 65 M CB 0.246 32.859 32.600 0.023 0.000 1.407 65 M HN 0.227 nan 8.290 nan 0.000 0.470 66 G N -1.050 107.720 108.800 -0.049 0.000 2.395 66 G HA2 -0.029 3.928 3.960 -0.005 0.000 0.214 66 G HA3 -0.029 3.928 3.960 -0.005 0.000 0.214 66 G C 1.570 176.470 174.900 0.001 0.000 1.177 66 G CA 0.618 45.698 45.100 -0.034 0.000 0.794 66 G HN 0.519 nan 8.290 nan 0.000 0.532 67 A N 0.618 123.419 122.820 -0.031 0.000 1.940 67 A HA 0.083 4.399 4.320 -0.005 0.000 0.219 67 A C 2.324 179.911 177.584 0.006 0.000 1.176 67 A CA 1.037 53.064 52.037 -0.016 0.000 0.631 67 A CB -0.448 18.515 19.000 -0.062 0.000 0.814 67 A HN 0.341 nan 8.150 nan 0.000 0.446 68 L N -0.627 120.581 121.223 -0.026 0.000 2.353 68 L HA -0.122 4.215 4.340 -0.005 0.000 0.220 68 L C 2.168 179.028 176.870 -0.015 0.000 1.133 68 L CA 0.659 55.461 54.840 -0.064 0.000 0.798 68 L CB -0.104 41.908 42.059 -0.079 0.000 0.922 68 L HN 0.303 nan 8.230 nan 0.000 0.445 69 V N -1.820 118.113 119.914 0.032 0.000 2.825 69 V HA -0.198 3.919 4.120 -0.005 0.000 0.246 69 V C 1.963 178.068 176.094 0.017 0.000 1.068 69 V CA 0.911 63.231 62.300 0.032 0.000 1.088 69 V CB -0.254 31.584 31.823 0.026 0.000 0.733 69 V HN 0.443 nan 8.190 nan 0.000 0.468 70 H N 0.535 119.592 119.070 -0.022 0.000 2.545 70 H HA -0.065 4.487 4.556 -0.005 0.000 0.282 70 H C 1.511 176.825 175.328 -0.023 0.000 1.020 70 H CA 1.558 57.593 56.048 -0.022 0.000 1.243 70 H CB 0.348 30.093 29.762 -0.030 0.000 1.377 70 H HN 0.581 nan 8.280 nan 0.000 0.581 71 T N -4.148 110.457 114.554 0.085 0.000 3.516 71 T HA 0.449 4.795 4.350 -0.005 0.000 0.300 71 T C 1.448 176.152 174.700 0.008 0.000 0.995 71 T CA 0.026 62.148 62.100 0.038 0.000 0.982 71 T CB 0.315 69.183 68.868 -0.001 0.000 1.199 71 T HN 0.245 nan 8.240 nan 0.000 0.481 72 A N 2.352 125.183 122.820 0.019 0.000 1.972 72 A HA -0.049 4.268 4.320 -0.005 0.000 0.219 72 A C 2.042 179.671 177.584 0.075 0.000 1.169 72 A CA 1.768 53.833 52.037 0.046 0.000 0.635 72 A CB -0.411 18.618 19.000 0.048 0.000 0.810 72 A HN 0.747 nan 8.150 nan 0.000 0.446 73 D N -0.087 120.345 120.400 0.054 0.000 2.191 73 D HA -0.127 4.509 4.640 -0.005 0.000 0.221 73 D C 0.844 177.197 176.300 0.088 0.000 1.006 73 D CA 0.465 54.505 54.000 0.067 0.000 0.910 73 D CB -1.473 39.351 40.800 0.040 0.000 1.031 73 D HN 0.396 nan 8.370 nan 0.000 0.447 74 N N 0.294 119.032 118.700 0.062 0.000 2.278 74 N HA -0.190 4.547 4.740 -0.005 0.000 0.287 74 N C 0.433 176.000 175.510 0.095 0.000 1.374 74 N CA -0.180 52.910 53.050 0.068 0.000 1.007 74 N CB -0.150 38.356 38.487 0.032 0.000 1.428 74 N HN 0.150 nan 8.380 nan 0.000 0.489 75 Y N 5.426 125.732 120.300 0.010 0.000 2.081 75 Y HA -0.146 4.402 4.550 -0.004 0.000 0.280 75 Y C -1.027 174.874 175.900 0.001 0.000 1.163 75 Y CA 1.516 59.627 58.100 0.018 0.000 1.135 75 Y CB -0.887 37.599 38.460 0.043 0.000 0.970 75 Y HN 0.597 nan 8.280 nan 0.000 0.498 76 P HA -0.134 nan 4.420 nan 0.000 0.223 76 P C 1.628 178.844 177.300 -0.140 0.000 1.151 76 P CA 1.202 64.219 63.100 -0.138 0.000 0.787 76 P CB -0.127 31.558 31.700 -0.024 0.000 0.788 77 L N -0.614 120.557 121.223 -0.087 0.000 2.217 77 L HA -0.030 4.307 4.340 -0.005 0.000 0.211 77 L C 1.873 178.673 176.870 -0.116 0.000 1.107 77 L CA 1.408 56.201 54.840 -0.078 0.000 0.783 77 L CB -1.228 40.810 42.059 -0.036 0.000 0.919 77 L HN -0.084 nan 8.230 nan 0.000 0.442 78 L N -1.487 119.633 121.223 -0.171 0.000 2.049 78 L HA -0.050 4.287 4.340 -0.005 0.000 0.203 78 L C 2.189 178.859 176.870 -0.334 0.000 1.074 78 L CA 1.266 55.955 54.840 -0.252 0.000 0.749 78 L CB -0.441 41.450 42.059 -0.280 0.000 0.907 78 L HN 0.199 nan 8.230 nan 0.000 0.439 79 L N 0.149 121.132 121.223 -0.399 0.000 2.263 79 L HA -0.193 4.144 4.340 -0.005 0.000 0.216 79 L C 2.431 179.219 176.870 -0.137 0.000 1.111 79 L CA 1.512 56.170 54.840 -0.304 0.000 0.773 79 L CB -1.090 40.767 42.059 -0.336 0.000 0.906 79 L HN 0.408 nan 8.230 nan 0.000 0.439 80 T N -0.311 114.159 114.554 -0.139 0.000 2.732 80 T HA -0.111 4.236 4.350 -0.005 0.000 0.261 80 T C 1.906 176.598 174.700 -0.014 0.000 1.040 80 T CA 1.589 63.640 62.100 -0.081 0.000 1.145 80 T CB -0.098 68.713 68.868 -0.096 0.000 0.866 80 T HN 0.337 nan 8.240 nan 0.000 0.427 81 V N 0.660 120.542 119.914 -0.053 0.000 2.667 81 V HA 0.121 4.238 4.120 -0.005 0.000 0.252 81 V C 2.602 178.686 176.094 -0.018 0.000 1.065 81 V CA 1.215 63.496 62.300 -0.031 0.000 1.083 81 V CB -1.514 30.273 31.823 -0.061 0.000 0.692 81 V HN 0.406 nan 8.190 nan 0.000 0.468 82 A N 0.334 123.122 122.820 -0.054 0.000 1.898 82 A HA -0.084 4.233 4.320 -0.005 0.000 0.216 82 A C 2.045 179.657 177.584 0.047 0.000 1.181 82 A CA 1.879 53.893 52.037 -0.038 0.000 0.620 82 A CB -0.777 18.165 19.000 -0.097 0.000 0.819 82 A HN 0.594 nan 8.150 nan 0.000 0.442 83 F N 0.744 120.662 119.950 -0.054 0.000 2.060 83 F HA -0.100 4.424 4.527 -0.006 0.000 0.295 83 F C 1.975 177.765 175.800 -0.016 0.000 1.120 83 F CA 1.619 59.605 58.000 -0.023 0.000 1.205 83 F CB -0.544 38.438 39.000 -0.030 0.000 0.986 83 F HN 0.116 nan 8.300 nan 0.000 0.470 84 L N -0.188 121.313 121.223 0.463 0.000 2.129 84 L HA -0.338 3.999 4.340 -0.005 0.000 0.212 84 L C 2.407 179.351 176.870 0.123 0.000 1.087 84 L CA 1.568 56.586 54.840 0.298 0.000 0.757 84 L CB -1.151 40.995 42.059 0.146 0.000 0.896 84 L HN 0.385 nan 8.230 nan 0.000 0.434 85 C N -2.327 117.008 119.300 0.058 0.000 2.504 85 C HA 0.034 4.490 4.460 -0.005 0.000 0.279 85 C C 2.952 177.945 174.990 0.005 0.000 1.358 85 C CA 0.070 59.100 59.018 0.019 0.000 1.747 85 C CB -0.344 27.393 27.740 -0.005 0.000 2.037 85 C HN 0.407 nan 8.230 nan 0.000 0.503 86 S N 1.667 117.348 115.700 -0.032 0.000 2.368 86 S HA -0.042 4.425 4.470 -0.005 0.000 0.224 86 S C 2.304 176.859 174.600 -0.075 0.000 1.029 86 S CA 1.366 59.529 58.200 -0.061 0.000 0.988 86 S CB -0.499 62.625 63.200 -0.127 0.000 0.838 86 S HN 0.698 nan 8.310 nan 0.000 0.462 87 A N 1.268 124.003 122.820 -0.143 0.000 1.865 87 A HA -0.102 4.215 4.320 -0.005 0.000 0.217 87 A C 2.341 179.949 177.584 0.039 0.000 1.191 87 A CA 1.817 53.802 52.037 -0.087 0.000 0.623 87 A CB -1.098 17.940 19.000 0.062 0.000 0.826 87 A HN 0.340 nan 8.150 nan 0.000 0.444 88 V N -0.077 119.876 119.914 0.065 0.000 2.407 88 V HA -0.235 3.882 4.120 -0.005 0.000 0.248 88 V C 2.550 178.725 176.094 0.134 0.000 1.055 88 V CA 1.922 64.275 62.300 0.087 0.000 1.049 88 V CB -0.631 31.227 31.823 0.058 0.000 0.662 88 V HN 0.548 nan 8.190 nan 0.000 0.455 89 L N -0.442 120.850 121.223 0.116 0.000 2.072 89 L HA -0.066 4.271 4.340 -0.005 0.000 0.205 89 L C 2.726 179.752 176.870 0.260 0.000 1.079 89 L CA 1.271 56.217 54.840 0.177 0.000 0.752 89 L CB -0.776 41.349 42.059 0.110 0.000 0.906 89 L HN 0.347 nan 8.230 nan 0.000 0.436 90 A N 0.310 123.249 122.820 0.199 0.000 1.851 90 A HA -0.278 4.038 4.320 -0.005 0.000 0.216 90 A C 2.315 180.126 177.584 0.377 0.000 1.195 90 A CA 2.006 54.215 52.037 0.287 0.000 0.622 90 A CB -0.607 18.503 19.000 0.182 0.000 0.831 90 A HN 0.296 nan 8.150 nan 0.000 0.444 91 M N -1.967 117.768 119.600 0.225 0.000 2.110 91 M HA -0.195 4.281 4.480 -0.005 0.000 0.257 91 M C 2.212 178.687 176.300 0.292 0.000 1.071 91 M CA 2.398 57.822 55.300 0.208 0.000 1.096 91 M CB -0.707 31.968 32.600 0.125 0.000 1.300 91 M HN 0.554 nan 8.290 nan 0.000 0.411 92 F N 0.929 120.975 119.950 0.160 0.000 2.184 92 F HA -0.199 4.324 4.527 -0.006 0.000 0.301 92 F C 1.993 177.936 175.800 0.239 0.000 1.076 92 F CA 1.861 59.965 58.000 0.174 0.000 1.295 92 F CB -0.542 38.524 39.000 0.109 0.000 1.026 92 F HN 0.079 nan 8.300 nan 0.000 0.494 93 G N -1.283 107.611 108.800 0.157 0.000 2.404 93 G HA2 -0.247 3.709 3.960 -0.005 0.000 0.213 93 G HA3 -0.247 3.709 3.960 -0.005 0.000 0.213 93 G C 1.290 176.182 174.900 -0.014 0.000 1.189 93 G CA 0.633 45.742 45.100 0.015 0.000 0.796 93 G HN 0.431 nan 8.290 nan 0.000 0.532 94 Y N -0.119 120.174 120.300 -0.013 0.000 2.228 94 Y HA -0.136 4.410 4.550 -0.006 0.000 0.285 94 Y C 2.282 178.112 175.900 -0.117 0.000 1.178 94 Y CA 1.457 59.513 58.100 -0.073 0.000 1.202 94 Y CB -0.404 38.065 38.460 0.015 0.000 0.974 94 Y HN 0.277 nan 8.280 nan 0.000 0.527 95 F N -0.628 119.311 119.950 -0.018 0.000 2.053 95 F HA -0.178 4.346 4.527 -0.006 0.000 0.292 95 F C 2.143 177.887 175.800 -0.093 0.000 1.125 95 F CA 0.991 58.951 58.000 -0.068 0.000 1.193 95 F CB -0.537 38.434 39.000 -0.047 0.000 0.996 95 F HN -0.169 nan 8.300 nan 0.000 0.470 96 L N 0.370 121.442 121.223 -0.252 0.000 2.171 96 L HA -0.270 4.066 4.340 -0.005 0.000 0.216 96 L C 2.244 178.978 176.870 -0.226 0.000 1.084 96 L CA 1.454 56.117 54.840 -0.294 0.000 0.771 96 L CB -1.304 40.551 42.059 -0.340 0.000 0.890 96 L HN 0.198 nan 8.230 nan 0.000 0.437 97 V N -1.018 118.739 119.914 -0.262 0.000 2.278 97 V HA -0.141 3.976 4.120 -0.005 0.000 0.238 97 V C 2.575 178.467 176.094 -0.336 0.000 1.039 97 V CA 0.958 63.095 62.300 -0.271 0.000 1.017 97 V CB -0.442 31.191 31.823 -0.316 0.000 0.657 97 V HN 0.319 nan 8.190 nan 0.000 0.462 98 R N 0.319 120.561 120.500 -0.431 0.000 2.154 98 R HA -0.213 4.124 4.340 -0.005 0.000 0.248 98 R C 2.145 178.199 176.300 -0.410 0.000 1.155 98 R CA 1.790 57.606 56.100 -0.473 0.000 0.979 98 R CB -0.516 29.489 30.300 -0.492 0.000 0.869 98 R HN 0.428 nan 8.270 nan 0.000 0.452 99 K N -0.449 119.635 120.400 -0.526 0.000 2.056 99 K HA -0.033 4.284 4.320 -0.005 0.000 0.205 99 K C 1.564 177.834 176.600 -0.550 0.000 1.035 99 K CA 1.201 57.100 56.287 -0.646 0.000 0.955 99 K CB -0.210 31.605 32.500 -1.142 0.000 0.769 99 K HN 0.054 nan 8.250 nan 0.000 0.447 100 Y N -0.583 119.502 120.300 -0.359 0.000 2.466 100 Y HA 0.469 5.015 4.550 -0.006 0.000 0.272 100 Y C -0.210 175.579 175.900 -0.184 0.000 1.169 100 Y CA 0.084 58.050 58.100 -0.224 0.000 1.285 100 Y CB 0.783 39.132 38.460 -0.185 0.000 1.078 100 Y HN 0.147 nan 8.280 nan 0.000 0.523 101 A N -0.706 122.059 122.820 -0.092 0.000 2.503 101 A HA 0.345 4.662 4.320 -0.005 0.000 0.275 101 A C -2.419 175.065 177.584 -0.166 0.000 1.339 101 A CA -0.773 51.193 52.037 -0.119 0.000 0.984 101 A CB -0.107 18.829 19.000 -0.107 0.000 1.382 101 A HN -0.020 nan 8.150 nan 0.000 0.609 102 P HA -0.190 nan 4.420 nan 0.000 0.219 102 P C 0.992 178.188 177.300 -0.174 0.000 1.146 102 P CA 1.790 64.764 63.100 -0.210 0.000 0.808 102 P CB 0.115 31.708 31.700 -0.178 0.000 0.779 103 E N -0.673 119.442 120.200 -0.142 0.000 2.512 103 E HA 0.144 4.491 4.350 -0.005 0.000 0.195 103 E C 1.088 177.608 176.600 -0.134 0.000 1.083 103 E CA 0.415 56.741 56.400 -0.123 0.000 0.873 103 E CB -0.443 29.190 29.700 -0.111 0.000 0.897 103 E HN 0.126 nan 8.360 nan 0.000 0.514 104 A N 1.063 123.791 122.820 -0.153 0.000 2.637 104 A HA 0.505 4.821 4.320 -0.005 0.000 0.293 104 A C 0.716 178.197 177.584 -0.171 0.000 1.216 104 A CA -0.159 51.789 52.037 -0.149 0.000 0.956 104 A CB 0.197 19.116 19.000 -0.136 0.000 1.174 104 A HN 0.266 nan 8.150 nan 0.000 0.525 105 G N -1.757 106.929 108.800 -0.190 0.000 2.537 105 G HA2 0.569 4.526 3.960 -0.005 0.000 0.297 105 G HA3 0.569 4.526 3.960 -0.005 0.000 0.297 105 G C 0.872 175.647 174.900 -0.209 0.000 1.310 105 G CA 0.119 45.083 45.100 -0.227 0.000 1.027 105 G HN 1.393 nan 8.290 nan 0.000 0.505 106 G N -0.407 108.226 108.800 -0.277 0.000 2.634 106 G HA2 -0.305 3.651 3.960 -0.005 0.000 0.309 106 G HA3 -0.305 3.651 3.960 -0.005 0.000 0.309 106 G C 1.643 176.475 174.900 -0.114 0.000 1.265 106 G CA 1.552 46.392 45.100 -0.433 0.000 0.998 106 G HN 1.667 nan 8.290 nan 0.000 0.551 107 S N -0.337 115.423 115.700 0.101 0.000 2.341 107 S HA 0.305 4.772 4.470 -0.005 0.000 0.216 107 S C 2.408 176.973 174.600 -0.057 0.000 1.034 107 S CA 2.508 60.826 58.200 0.198 0.000 0.964 107 S CB -0.649 62.673 63.200 0.204 0.000 0.882 107 S HN 2.810 nan 8.310 nan 0.000 0.469 108 G N 0.498 109.227 108.800 -0.119 0.000 2.213 108 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.236 108 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.236 108 G C 0.870 175.658 174.900 -0.188 0.000 0.991 108 G CA 0.403 45.417 45.100 -0.144 0.000 0.629 108 G HN 0.522 nan 8.290 nan 0.000 0.517 109 I N 1.836 122.220 120.570 -0.310 0.000 2.202 109 I HA -0.076 4.091 4.170 -0.005 0.000 0.242 109 I C 0.448 176.372 176.117 -0.321 0.000 1.091 109 I CA 1.807 62.867 61.300 -0.401 0.000 1.368 109 I CB -0.999 36.449 38.000 -0.920 0.000 1.058 109 I HN 0.190 nan 8.210 nan 0.000 0.410 110 P HA -0.178 nan 4.420 nan 0.000 0.217 110 P C 1.353 178.610 177.300 -0.071 0.000 1.150 110 P CA 1.470 64.481 63.100 -0.147 0.000 0.832 110 P CB 0.026 31.667 31.700 -0.098 0.000 0.787 111 E N -0.486 119.658 120.200 -0.093 0.000 2.106 111 E HA -0.124 4.223 4.350 -0.005 0.000 0.192 111 E C 1.798 178.368 176.600 -0.051 0.000 0.984 111 E CA 0.881 57.242 56.400 -0.065 0.000 0.806 111 E CB -0.867 28.784 29.700 -0.082 0.000 0.750 111 E HN 0.035 nan 8.360 nan 0.000 0.458 112 I N 0.978 121.511 120.570 -0.061 0.000 2.617 112 I HA -0.099 4.068 4.170 -0.005 0.000 0.256 112 I C 1.956 178.062 176.117 -0.019 0.000 1.167 112 I CA 0.980 62.257 61.300 -0.039 0.000 1.469 112 I CB -0.748 37.228 38.000 -0.040 0.000 1.098 112 I HN 0.170 nan 8.210 nan 0.000 0.436 113 E N 0.490 120.680 120.200 -0.016 0.000 2.051 113 E HA -0.158 4.189 4.350 -0.005 0.000 0.192 113 E C 2.341 178.955 176.600 0.023 0.000 0.991 113 E CA 1.169 57.572 56.400 0.006 0.000 0.799 113 E CB -0.397 29.328 29.700 0.041 0.000 0.748 113 E HN 0.533 nan 8.360 nan 0.000 0.449 114 G N 1.200 110.013 108.800 0.023 0.000 2.440 114 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.218 114 G HA3 -0.308 3.649 3.960 -0.005 0.000 0.218 114 G C 1.686 176.607 174.900 0.035 0.000 1.154 114 G CA 1.001 46.120 45.100 0.032 0.000 0.767 114 G HN 0.361 nan 8.290 nan 0.000 0.552 115 A N 0.419 123.253 122.820 0.023 0.000 1.986 115 A HA -0.014 4.303 4.320 -0.005 0.000 0.220 115 A C 2.436 180.064 177.584 0.074 0.000 1.171 115 A CA 1.543 53.599 52.037 0.033 0.000 0.640 115 A CB -0.373 18.636 19.000 0.014 0.000 0.811 115 A HN 0.391 nan 8.150 nan 0.000 0.451 116 L N -0.752 120.518 121.223 0.078 0.000 2.072 116 L HA -0.097 4.239 4.340 -0.005 0.000 0.205 116 L C 2.120 179.072 176.870 0.136 0.000 1.079 116 L CA 1.067 55.984 54.840 0.128 0.000 0.752 116 L CB -0.375 41.702 42.059 0.030 0.000 0.906 116 L HN 0.318 nan 8.230 nan 0.000 0.436 117 E N -0.229 120.022 120.200 0.086 0.000 2.516 117 E HA -0.125 4.221 4.350 -0.005 0.000 0.199 117 E C -0.372 176.293 176.600 0.108 0.000 1.069 117 E CA 0.322 56.777 56.400 0.091 0.000 0.876 117 E CB -0.176 29.576 29.700 0.087 0.000 0.843 117 E HN 0.364 nan 8.360 nan 0.000 0.530 118 D N 0.891 121.361 120.400 0.118 0.000 2.716 118 D HA -0.166 4.471 4.640 -0.005 0.000 0.239 118 D C 0.406 176.741 176.300 0.058 0.000 1.125 118 D CA 0.521 54.573 54.000 0.086 0.000 0.681 118 D CB -0.691 40.167 40.800 0.097 0.000 1.070 118 D HN 0.291 nan 8.370 nan 0.000 0.432 119 Q N -0.871 118.958 119.800 0.049 0.000 2.140 119 Q HA 0.134 4.471 4.340 -0.005 0.000 0.227 119 Q C 0.383 176.397 176.000 0.024 0.000 0.798 119 Q CA 0.206 56.030 55.803 0.036 0.000 0.987 119 Q CB 1.380 30.140 28.738 0.037 0.000 1.161 119 Q HN 0.223 nan 8.270 nan 0.000 0.480 120 R N 0.811 121.323 120.500 0.020 0.000 2.740 120 R HA 0.516 4.853 4.340 -0.005 0.000 0.273 120 R C -2.540 173.763 176.300 0.004 0.000 0.998 120 R CA -1.653 54.451 56.100 0.006 0.000 0.900 120 R CB 1.243 31.540 30.300 -0.005 0.000 1.223 120 R HN -0.051 nan 8.270 nan 0.000 0.466 121 P HA 0.302 nan 4.420 nan 0.000 0.277 121 P C -0.466 176.810 177.300 -0.040 0.000 1.271 121 P CA -0.433 62.664 63.100 -0.006 0.000 0.795 121 P CB 0.820 32.518 31.700 -0.003 0.000 1.101 122 V N 0.980 120.866 119.914 -0.047 0.000 2.405 122 V HA 0.228 4.345 4.120 -0.005 0.000 0.253 122 V C 0.822 176.769 176.094 -0.245 0.000 0.963 122 V CA -0.534 61.719 62.300 -0.078 0.000 1.003 122 V CB -0.117 31.717 31.823 0.018 0.000 1.251 122 V HN 0.424 nan 8.190 nan 0.000 0.520 123 R N 2.869 123.075 120.500 -0.491 0.000 4.113 123 R HA 0.022 4.358 4.340 -0.005 0.000 0.179 123 R C 1.486 177.020 176.300 -1.276 0.000 1.781 123 R CA -0.195 55.145 56.100 -1.267 0.000 1.402 123 R CB -0.076 29.705 30.300 -0.865 0.000 1.375 123 R HN 0.919 nan 8.270 nan 0.000 0.786 124 W N 1.732 122.452 121.300 -0.966 0.000 2.335 124 W HA -0.254 4.403 4.660 -0.006 0.000 0.311 124 W C 0.948 177.248 176.519 -0.365 0.000 1.213 124 W CA 0.876 57.940 57.345 -0.467 0.000 1.274 124 W CB -1.346 28.011 29.460 -0.172 0.000 1.148 124 W HN 0.521 nan 8.180 nan 0.000 0.498 125 W N 1.687 122.621 121.300 -0.609 0.000 2.336 125 W HA -0.094 4.563 4.660 -0.005 0.000 0.277 125 W C 2.098 178.518 176.519 -0.166 0.000 1.211 125 W CA 1.734 58.777 57.345 -0.504 0.000 1.187 125 W CB -1.339 27.635 29.460 -0.811 0.000 1.132 125 W HN -0.145 nan 8.180 nan 0.000 0.562 126 R N 0.304 120.495 120.500 -0.515 0.000 2.084 126 R HA 0.045 4.382 4.340 -0.005 0.000 0.209 126 R C 2.270 178.478 176.300 -0.154 0.000 1.173 126 R CA 1.051 57.006 56.100 -0.241 0.000 1.053 126 R CB -0.711 29.401 30.300 -0.312 0.000 0.948 126 R HN 0.142 nan 8.270 nan 0.000 0.460 127 V N 2.521 122.304 119.914 -0.219 0.000 2.233 127 V HA -0.275 3.842 4.120 -0.005 0.000 0.247 127 V C 2.514 178.583 176.094 -0.041 0.000 1.050 127 V CA 1.774 63.999 62.300 -0.126 0.000 1.010 127 V CB -0.691 31.044 31.823 -0.146 0.000 0.637 127 V HN 0.264 nan 8.190 nan 0.000 0.444 128 L N 0.614 121.836 121.223 -0.001 0.000 1.987 128 L HA -0.205 4.132 4.340 -0.005 0.000 0.230 128 L C 0.437 177.335 176.870 0.047 0.000 1.089 128 L CA 2.651 57.507 54.840 0.027 0.000 0.802 128 L CB -2.273 39.831 42.059 0.075 0.000 0.905 128 L HN 0.376 nan 8.230 nan 0.000 0.441 129 P HA -0.085 nan 4.420 nan 0.000 0.223 129 P C 1.782 179.256 177.300 0.290 0.000 1.151 129 P CA 1.202 64.430 63.100 0.214 0.000 0.787 129 P CB 0.114 31.951 31.700 0.228 0.000 0.788 130 V N 0.772 120.760 119.914 0.122 0.000 2.273 130 V HA -0.161 3.956 4.120 -0.005 0.000 0.242 130 V C 2.785 178.925 176.094 0.076 0.000 1.035 130 V CA 1.966 64.308 62.300 0.069 0.000 1.013 130 V CB -1.135 30.671 31.823 -0.029 0.000 0.652 130 V HN 0.041 nan 8.190 nan 0.000 0.452 131 K N 0.144 120.562 120.400 0.030 0.000 2.044 131 K HA -0.215 4.102 4.320 -0.005 0.000 0.210 131 K C 1.936 178.576 176.600 0.067 0.000 1.049 131 K CA 1.918 58.203 56.287 -0.003 0.000 0.927 131 K CB -0.729 31.733 32.500 -0.063 0.000 0.713 131 K HN 0.335 nan 8.250 nan 0.000 0.443 132 F N -0.225 119.689 119.950 -0.061 0.000 2.025 132 F HA -0.237 4.287 4.527 -0.005 0.000 0.297 132 F C 1.733 177.551 175.800 0.029 0.000 1.132 132 F CA 1.941 59.906 58.000 -0.059 0.000 1.191 132 F CB -0.412 38.404 39.000 -0.308 0.000 0.963 132 F HN 0.032 nan 8.300 nan 0.000 0.481 133 F N 0.525 120.675 119.950 0.334 0.000 2.259 133 F HA 0.073 4.597 4.527 -0.006 0.000 0.298 133 F C 2.602 178.516 175.800 0.189 0.000 1.088 133 F CA 1.084 59.234 58.000 0.251 0.000 1.358 133 F CB -1.485 37.726 39.000 0.353 0.000 1.040 133 F HN 0.076 nan 8.300 nan 0.000 0.505 134 G N -0.059 108.893 108.800 0.254 0.000 2.433 134 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.216 134 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.216 134 G C 2.087 177.057 174.900 0.117 0.000 1.186 134 G CA 0.899 46.058 45.100 0.099 0.000 0.779 134 G HN 0.487 nan 8.290 nan 0.000 0.543 135 G N 0.695 109.569 108.800 0.123 0.000 2.421 135 G HA2 -0.140 3.817 3.960 -0.005 0.000 0.216 135 G HA3 -0.140 3.817 3.960 -0.005 0.000 0.216 135 G C 1.761 176.723 174.900 0.103 0.000 1.171 135 G CA 0.843 46.041 45.100 0.165 0.000 0.775 135 G HN 0.341 nan 8.290 nan 0.000 0.543 136 L N 1.406 122.622 121.223 -0.011 0.000 2.211 136 L HA -0.072 4.265 4.340 -0.005 0.000 0.216 136 L C 2.816 179.676 176.870 -0.017 0.000 1.092 136 L CA 1.998 56.685 54.840 -0.256 0.000 0.767 136 L CB -0.506 41.406 42.059 -0.244 0.000 0.894 136 L HN 0.256 nan 8.230 nan 0.000 0.437 137 G N -2.373 106.516 108.800 0.149 0.000 2.425 137 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.213 137 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.213 137 G C 1.516 176.503 174.900 0.146 0.000 1.201 137 G CA 0.938 46.171 45.100 0.223 0.000 0.799 137 G HN 0.446 nan 8.290 nan 0.000 0.534 138 T N 0.474 115.105 114.554 0.128 0.000 2.737 138 T HA 0.007 4.354 4.350 -0.005 0.000 0.265 138 T C 2.312 177.061 174.700 0.081 0.000 1.038 138 T CA 0.830 62.996 62.100 0.111 0.000 1.144 138 T CB -0.275 68.635 68.868 0.070 0.000 0.866 138 T HN -0.016 nan 8.240 nan 0.000 0.434 139 L N 1.664 122.922 121.223 0.058 0.000 2.027 139 L HA 0.103 4.440 4.340 -0.005 0.000 0.206 139 L C 3.126 179.996 176.870 -0.000 0.000 1.074 139 L CA 2.197 57.056 54.840 0.031 0.000 0.745 139 L CB -1.948 40.121 42.059 0.016 0.000 0.898 139 L HN 0.515 nan 8.230 nan 0.000 0.433 140 G N -0.597 108.187 108.800 -0.028 0.000 2.479 140 G HA2 -0.197 3.760 3.960 -0.005 0.000 0.220 140 G HA3 -0.197 3.760 3.960 -0.005 0.000 0.220 140 G C 1.372 176.281 174.900 0.015 0.000 1.115 140 G CA 0.745 45.836 45.100 -0.016 0.000 0.757 140 G HN 0.520 nan 8.290 nan 0.000 0.560 141 G N -0.491 108.328 108.800 0.032 0.000 3.181 141 G HA2 0.401 4.358 3.960 -0.005 0.000 0.219 141 G HA3 0.401 4.358 3.960 -0.005 0.000 0.219 141 G C 1.107 176.021 174.900 0.023 0.000 1.182 141 G CA 0.360 45.476 45.100 0.026 0.000 0.791 141 G HN 1.292 nan 8.290 nan 0.000 0.537 142 G N 0.103 108.921 108.800 0.030 0.000 2.225 142 G HA2 -0.294 3.662 3.960 -0.005 0.000 0.264 142 G HA3 -0.294 3.662 3.960 -0.005 0.000 0.264 142 G C 0.392 175.319 174.900 0.044 0.000 1.060 142 G CA 0.258 45.381 45.100 0.038 0.000 0.833 142 G HN 0.432 nan 8.290 nan 0.000 0.498 143 M N -0.503 119.129 119.600 0.053 0.000 2.228 143 M HA 0.283 4.759 4.480 -0.005 0.000 0.326 143 M C 1.218 177.562 176.300 0.072 0.000 1.122 143 M CA -0.284 55.059 55.300 0.070 0.000 1.161 143 M CB 1.193 33.852 32.600 0.098 0.000 1.437 143 M HN -0.069 nan 8.290 nan 0.000 0.465 144 V N 4.971 124.935 119.914 0.083 0.000 1.956 144 V HA 0.133 4.250 4.120 -0.005 0.000 0.248 144 V C -0.047 176.112 176.094 0.110 0.000 1.615 144 V CA 0.395 62.745 62.300 0.083 0.000 1.558 144 V CB -1.774 30.100 31.823 0.086 0.000 1.529 144 V HN 0.543 nan 8.190 nan 0.000 0.505 145 L N 0.942 122.223 121.223 0.096 0.000 2.341 145 L HA 0.889 5.226 4.340 -0.005 0.000 0.254 145 L C 0.423 177.336 176.870 0.073 0.000 1.040 145 L CA -0.784 54.129 54.840 0.122 0.000 0.837 145 L CB 2.000 44.148 42.059 0.148 0.000 1.425 145 L HN 0.351 nan 8.230 nan 0.000 0.414 146 G N -0.537 108.312 108.800 0.083 0.000 2.400 146 G HA2 0.488 4.445 3.960 -0.005 0.000 0.333 146 G HA3 0.488 4.445 3.960 -0.005 0.000 0.333 146 G C 0.194 175.101 174.900 0.011 0.000 1.143 146 G CA -0.511 44.609 45.100 0.033 0.000 0.914 146 G HN 0.659 nan 8.290 nan 0.000 0.480 147 R N 0.131 120.613 120.500 -0.031 0.000 2.105 147 R HA -0.132 4.205 4.340 -0.005 0.000 0.239 147 R C 2.342 178.503 176.300 -0.232 0.000 1.135 147 R CA 1.951 58.034 56.100 -0.029 0.000 0.967 147 R CB 0.028 30.320 30.300 -0.014 0.000 0.861 147 R HN 0.731 nan 8.270 nan 0.000 0.442 148 E N 0.072 120.091 120.200 -0.303 0.000 2.118 148 E HA -0.135 4.212 4.350 -0.005 0.000 0.195 148 E C 1.922 178.343 176.600 -0.298 0.000 0.992 148 E CA 1.380 57.543 56.400 -0.395 0.000 0.804 148 E CB -0.904 28.510 29.700 -0.478 0.000 0.741 148 E HN 0.360 nan 8.360 nan 0.000 0.458 149 G N 1.944 110.636 108.800 -0.180 0.000 2.679 149 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.217 149 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.217 149 G C -0.645 174.121 174.900 -0.223 0.000 1.267 149 G CA 1.270 46.283 45.100 -0.146 0.000 0.799 149 G HN 0.321 nan 8.290 nan 0.000 0.606 150 P HA -0.176 nan 4.420 nan 0.000 0.216 150 P C 2.439 179.460 177.300 -0.465 0.000 1.157 150 P CA 2.863 65.708 63.100 -0.426 0.000 0.880 150 P CB -0.444 30.806 31.700 -0.751 0.000 0.791 151 T N -3.596 110.653 114.554 -0.509 0.000 2.777 151 T HA -0.093 4.254 4.350 -0.005 0.000 0.266 151 T C 1.845 176.386 174.700 -0.264 0.000 1.040 151 T CA 1.276 63.142 62.100 -0.389 0.000 1.141 151 T CB -1.461 67.188 68.868 -0.365 0.000 0.868 151 T HN -0.134 nan 8.240 nan 0.000 0.444 152 V N 1.990 121.753 119.914 -0.252 0.000 2.295 152 V HA -0.209 3.907 4.120 -0.005 0.000 0.246 152 V C 2.965 178.983 176.094 -0.127 0.000 1.049 152 V CA 2.311 64.510 62.300 -0.167 0.000 1.024 152 V CB -0.918 30.813 31.823 -0.153 0.000 0.648 152 V HN 0.583 nan 8.190 nan 0.000 0.447 153 Q N -0.715 118.994 119.800 -0.152 0.000 2.046 153 Q HA -0.179 4.157 4.340 -0.005 0.000 0.200 153 Q C 2.325 178.253 176.000 -0.119 0.000 0.975 153 Q CA 1.684 57.411 55.803 -0.127 0.000 0.836 153 Q CB -0.061 28.594 28.738 -0.138 0.000 0.896 153 Q HN 0.466 nan 8.270 nan 0.000 0.428 154 I N 0.712 121.193 120.570 -0.148 0.000 2.163 154 I HA -0.210 3.957 4.170 -0.005 0.000 0.243 154 I C 2.334 178.384 176.117 -0.111 0.000 1.085 154 I CA 1.770 62.995 61.300 -0.125 0.000 1.347 154 I CB -1.634 36.276 38.000 -0.150 0.000 1.044 154 I HN 0.430 nan 8.210 nan 0.000 0.408 155 G N 0.339 109.066 108.800 -0.121 0.000 2.440 155 G HA2 -0.208 3.748 3.960 -0.005 0.000 0.218 155 G HA3 -0.208 3.748 3.960 -0.005 0.000 0.218 155 G C 1.742 176.589 174.900 -0.089 0.000 1.154 155 G CA 0.879 45.917 45.100 -0.105 0.000 0.767 155 G HN 0.491 nan 8.290 nan 0.000 0.552 156 G N 0.946 109.701 108.800 -0.075 0.000 2.442 156 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.219 156 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.219 156 G C 1.714 176.574 174.900 -0.067 0.000 1.141 156 G CA 1.251 46.315 45.100 -0.060 0.000 0.763 156 G HN 0.488 nan 8.290 nan 0.000 0.554 157 N N 0.475 119.134 118.700 -0.069 0.000 2.216 157 N HA 0.031 4.768 4.740 -0.005 0.000 0.183 157 N C 2.095 177.513 175.510 -0.153 0.000 1.017 157 N CA 0.526 53.541 53.050 -0.058 0.000 0.861 157 N CB -0.154 38.333 38.487 0.001 0.000 0.986 157 N HN 0.319 nan 8.380 nan 0.000 0.428 158 I N -0.022 120.459 120.570 -0.149 0.000 2.454 158 I HA -0.124 4.043 4.170 -0.005 0.000 0.254 158 I C 2.101 178.094 176.117 -0.207 0.000 1.156 158 I CA 1.136 62.318 61.300 -0.196 0.000 1.433 158 I CB -0.686 37.225 38.000 -0.149 0.000 1.082 158 I HN 0.208 nan 8.210 nan 0.000 0.432 159 G N 0.550 109.256 108.800 -0.156 0.000 2.494 159 G HA2 -0.187 3.770 3.960 -0.005 0.000 0.216 159 G HA3 -0.187 3.770 3.960 -0.005 0.000 0.216 159 G C 1.787 176.605 174.900 -0.138 0.000 1.140 159 G CA 0.116 45.137 45.100 -0.132 0.000 0.801 159 G HN 0.173 nan 8.290 nan 0.000 0.536 160 R N 0.257 120.665 120.500 -0.154 0.000 2.062 160 R HA 0.163 4.499 4.340 -0.005 0.000 0.229 160 R C 2.433 178.562 176.300 -0.286 0.000 1.128 160 R CA 1.457 57.484 56.100 -0.121 0.000 0.960 160 R CB -0.695 29.598 30.300 -0.011 0.000 0.855 160 R HN 0.353 nan 8.270 nan 0.000 0.432 161 M N 0.166 119.362 119.600 -0.673 0.000 2.082 161 M HA -0.161 4.316 4.480 -0.005 0.000 0.258 161 M C 1.726 177.759 176.300 -0.444 0.000 1.069 161 M CA 2.354 56.994 55.300 -1.100 0.000 1.102 161 M CB -0.090 31.735 32.600 -1.292 0.000 1.336 161 M HN 0.130 nan 8.290 nan 0.000 0.404 162 V N -1.008 118.758 119.914 -0.247 0.000 3.305 162 V HA -0.099 4.018 4.120 -0.005 0.000 0.269 162 V C 1.880 178.002 176.094 0.046 0.000 1.157 162 V CA 1.079 63.359 62.300 -0.034 0.000 1.157 162 V CB -1.086 30.655 31.823 -0.135 0.000 0.772 162 V HN 0.615 nan 8.190 nan 0.000 0.498 163 L N 0.188 121.404 121.223 -0.013 0.000 2.249 163 L HA 0.217 4.553 4.340 -0.005 0.000 0.207 163 L C 1.960 178.891 176.870 0.103 0.000 1.090 163 L CA 1.692 56.557 54.840 0.042 0.000 0.802 163 L CB -0.300 41.765 42.059 0.010 0.000 0.947 163 L HN 0.170 nan 8.230 nan 0.000 0.453 164 D N -0.049 120.410 120.400 0.099 0.000 2.107 164 D HA -0.090 4.547 4.640 -0.005 0.000 0.204 164 D C 2.132 178.517 176.300 0.140 0.000 0.978 164 D CA 1.232 55.331 54.000 0.166 0.000 0.852 164 D CB -0.179 40.816 40.800 0.327 0.000 1.008 164 D HN 0.201 nan 8.370 nan 0.000 0.458 165 I N 0.003 120.639 120.570 0.111 0.000 2.502 165 I HA -0.220 3.947 4.170 -0.005 0.000 0.258 165 I C 1.342 177.394 176.117 -0.108 0.000 1.172 165 I CA 1.061 62.378 61.300 0.028 0.000 1.430 165 I CB -0.329 37.676 38.000 0.009 0.000 1.086 165 I HN -0.035 nan 8.210 nan 0.000 0.440 166 F N 0.091 120.045 119.950 0.006 0.000 2.661 166 F HA 0.282 4.806 4.527 -0.005 0.000 0.306 166 F C 0.767 176.578 175.800 0.019 0.000 1.094 166 F CA -0.388 57.620 58.000 0.014 0.000 1.254 166 F CB 0.189 39.199 39.000 0.016 0.000 1.040 166 F HN -0.176 nan 8.300 nan 0.000 0.562 167 R N 0.965 121.552 120.500 0.146 0.000 3.387 167 R HA -0.214 4.123 4.340 -0.005 0.000 0.254 167 R C -0.432 175.926 176.300 0.098 0.000 1.006 167 R CA 0.233 56.391 56.100 0.098 0.000 0.677 167 R CB -2.505 27.829 30.300 0.056 0.000 1.063 167 R HN 0.355 nan 8.270 nan 0.000 0.453 168 L N 0.952 122.242 121.223 0.112 0.000 2.410 168 L HA 0.133 4.469 4.340 -0.005 0.000 0.273 168 L C 0.969 177.869 176.870 0.051 0.000 1.152 168 L CA 0.524 55.412 54.840 0.080 0.000 0.855 168 L CB 0.569 42.669 42.059 0.068 0.000 1.129 168 L HN 0.104 nan 8.230 nan 0.000 0.463 169 K N 2.241 122.665 120.400 0.040 0.000 2.156 169 K HA 0.723 5.040 4.320 -0.005 0.000 0.254 169 K C -0.407 176.205 176.600 0.020 0.000 0.950 169 K CA -0.079 56.225 56.287 0.028 0.000 0.849 169 K CB 1.655 34.172 32.500 0.028 0.000 1.100 169 K HN 0.712 nan 8.250 nan 0.000 0.434 170 G N 2.822 111.629 108.800 0.011 0.000 2.906 170 G HA2 -0.142 3.814 3.960 -0.005 0.000 0.686 170 G HA3 -0.142 3.814 3.960 -0.005 0.000 0.686 170 G C -0.086 174.811 174.900 -0.005 0.000 1.170 170 G CA -0.475 44.632 45.100 0.011 0.000 0.775 170 G HN 0.741 nan 8.290 nan 0.000 0.630 171 D N 0.084 120.483 120.400 -0.001 0.000 2.170 171 D HA -0.143 4.494 4.640 -0.005 0.000 0.193 171 D C 1.987 178.313 176.300 0.043 0.000 1.004 171 D CA 1.843 55.837 54.000 -0.011 0.000 0.860 171 D CB 0.072 40.921 40.800 0.080 0.000 0.931 171 D HN 0.752 nan 8.370 nan 0.000 0.448 172 E N 0.065 120.306 120.200 0.069 0.000 2.005 172 E HA -0.212 4.135 4.350 -0.005 0.000 0.198 172 E C 2.023 178.653 176.600 0.050 0.000 1.010 172 E CA 1.346 57.791 56.400 0.075 0.000 0.825 172 E CB -0.156 29.576 29.700 0.054 0.000 0.769 172 E HN 0.187 nan 8.360 nan 0.000 0.456 173 A N 1.110 123.945 122.820 0.024 0.000 2.032 173 A HA -0.244 4.073 4.320 -0.005 0.000 0.221 173 A C 2.170 179.749 177.584 -0.008 0.000 1.165 173 A CA 1.818 53.862 52.037 0.011 0.000 0.645 173 A CB -0.602 18.406 19.000 0.013 0.000 0.807 173 A HN 0.271 nan 8.150 nan 0.000 0.453 174 R N -1.711 118.762 120.500 -0.044 0.000 2.075 174 R HA -0.063 4.274 4.340 -0.005 0.000 0.226 174 R C 1.972 178.221 176.300 -0.084 0.000 1.114 174 R CA 1.407 57.450 56.100 -0.095 0.000 0.972 174 R CB -0.298 29.894 30.300 -0.179 0.000 0.869 174 R HN 0.738 nan 8.270 nan 0.000 0.437 175 H N -1.156 117.906 119.070 -0.013 0.000 2.395 175 H HA 0.013 4.566 4.556 -0.005 0.000 0.299 175 H C 1.844 177.151 175.328 -0.035 0.000 1.070 175 H CA 1.698 57.728 56.048 -0.028 0.000 1.356 175 H CB 0.297 30.034 29.762 -0.043 0.000 1.401 175 H HN 0.162 nan 8.280 nan 0.000 0.524 176 T N 0.880 115.492 114.554 0.096 0.000 2.674 176 T HA -0.108 4.239 4.350 -0.005 0.000 0.265 176 T C 2.087 176.794 174.700 0.013 0.000 1.039 176 T CA 0.939 63.062 62.100 0.039 0.000 1.150 176 T CB -0.217 68.666 68.868 0.026 0.000 0.864 176 T HN 0.206 nan 8.240 nan 0.000 0.427 177 L N 0.471 121.693 121.223 -0.002 0.000 2.141 177 L HA -0.021 4.315 4.340 -0.005 0.000 0.209 177 L C 2.460 179.312 176.870 -0.029 0.000 1.094 177 L CA 0.800 55.623 54.840 -0.029 0.000 0.763 177 L CB -0.583 41.449 42.059 -0.046 0.000 0.908 177 L HN 0.249 nan 8.230 nan 0.000 0.437 178 L N 0.137 121.354 121.223 -0.010 0.000 2.141 178 L HA -0.088 4.249 4.340 -0.005 0.000 0.209 178 L C 2.537 179.403 176.870 -0.006 0.000 1.094 178 L CA 1.793 56.628 54.840 -0.009 0.000 0.763 178 L CB -0.542 41.526 42.059 0.015 0.000 0.908 178 L HN 0.115 nan 8.230 nan 0.000 0.437 179 A N -1.099 121.722 122.820 0.003 0.000 1.855 179 A HA -0.161 4.156 4.320 -0.005 0.000 0.213 179 A C 2.352 179.933 177.584 -0.006 0.000 1.195 179 A CA 1.960 53.993 52.037 -0.006 0.000 0.610 179 A CB -1.370 17.624 19.000 -0.010 0.000 0.837 179 A HN 0.550 nan 8.150 nan 0.000 0.444 180 T N -2.180 112.368 114.554 -0.011 0.000 2.778 180 T HA -0.045 4.302 4.350 -0.005 0.000 0.269 180 T C 1.817 176.498 174.700 -0.032 0.000 1.050 180 T CA 1.881 63.971 62.100 -0.018 0.000 1.137 180 T CB -0.892 67.962 68.868 -0.024 0.000 0.860 180 T HN 0.438 nan 8.240 nan 0.000 0.468 181 G N 1.221 109.997 108.800 -0.040 0.000 2.404 181 G HA2 0.103 4.060 3.960 -0.005 0.000 0.215 181 G HA3 0.103 4.060 3.960 -0.005 0.000 0.215 181 G C 1.958 176.832 174.900 -0.045 0.000 1.174 181 G CA 0.751 45.817 45.100 -0.056 0.000 0.780 181 G HN 0.763 nan 8.290 nan 0.000 0.537 182 A N 0.891 123.701 122.820 -0.017 0.000 2.019 182 A HA 0.333 4.650 4.320 -0.005 0.000 0.219 182 A C 2.710 180.325 177.584 0.052 0.000 1.164 182 A CA 2.087 54.135 52.037 0.019 0.000 0.644 182 A CB -0.528 18.509 19.000 0.062 0.000 0.805 182 A HN 0.675 nan 8.150 nan 0.000 0.449 183 A N -0.003 122.843 122.820 0.042 0.000 1.840 183 A HA 0.251 4.567 4.320 -0.005 0.000 0.214 183 A C 2.529 180.094 177.584 -0.031 0.000 1.198 183 A CA 1.814 53.876 52.037 0.042 0.000 0.608 183 A CB -1.232 17.779 19.000 0.019 0.000 0.839 183 A HN 1.090 nan 8.150 nan 0.000 0.443 184 A N -0.404 122.386 122.820 -0.050 0.000 1.986 184 A HA 0.011 4.328 4.320 -0.005 0.000 0.220 184 A C 2.357 179.885 177.584 -0.094 0.000 1.171 184 A CA 2.179 54.173 52.037 -0.072 0.000 0.640 184 A CB -1.422 17.537 19.000 -0.069 0.000 0.811 184 A HN 0.782 nan 8.150 nan 0.000 0.451 185 G N -0.417 108.323 108.800 -0.100 0.000 2.421 185 G HA2 -0.128 3.828 3.960 -0.005 0.000 0.216 185 G HA3 -0.128 3.828 3.960 -0.005 0.000 0.216 185 G C 1.519 176.297 174.900 -0.203 0.000 1.171 185 G CA 1.176 46.189 45.100 -0.145 0.000 0.775 185 G HN 0.516 nan 8.290 nan 0.000 0.543 186 L N 1.046 122.153 121.223 -0.193 0.000 2.044 186 L HA 0.270 4.607 4.340 -0.005 0.000 0.205 186 L C 3.145 179.893 176.870 -0.203 0.000 1.075 186 L CA 1.964 56.642 54.840 -0.269 0.000 0.747 186 L CB -0.579 41.296 42.059 -0.308 0.000 0.903 186 L HN 0.232 nan 8.230 nan 0.000 0.435 187 A N -0.077 122.660 122.820 -0.138 0.000 1.903 187 A HA -0.272 4.045 4.320 -0.005 0.000 0.219 187 A C 2.409 179.874 177.584 -0.197 0.000 1.191 187 A CA 2.247 54.209 52.037 -0.126 0.000 0.638 187 A CB -1.353 17.582 19.000 -0.108 0.000 0.823 187 A HN 0.586 nan 8.150 nan 0.000 0.451 188 A N -0.860 121.844 122.820 -0.193 0.000 2.067 188 A HA 0.300 4.617 4.320 -0.005 0.000 0.219 188 A C 2.304 179.709 177.584 -0.300 0.000 1.158 188 A CA 1.659 53.573 52.037 -0.205 0.000 0.661 188 A CB -0.680 18.276 19.000 -0.074 0.000 0.801 188 A HN 1.066 nan 8.150 nan 0.000 0.452 189 A N -1.745 120.849 122.820 -0.377 0.000 2.016 189 A HA 0.286 4.602 4.320 -0.005 0.000 0.217 189 A C 1.326 178.510 177.584 -0.666 0.000 1.162 189 A CA 0.970 52.662 52.037 -0.575 0.000 0.662 189 A CB -0.334 18.148 19.000 -0.864 0.000 0.812 189 A HN 0.530 nan 8.150 nan 0.000 0.450 190 F N -2.129 117.714 119.950 -0.180 0.000 2.838 190 F HA 0.253 4.776 4.527 -0.006 0.000 0.329 190 F C 0.652 176.275 175.800 -0.294 0.000 1.116 190 F CA -0.166 57.753 58.000 -0.135 0.000 1.155 190 F CB 0.383 39.357 39.000 -0.044 0.000 1.106 190 F HN 0.183 nan 8.300 nan 0.000 0.538 191 N N 2.203 120.646 118.700 -0.429 0.000 2.738 191 N HA -0.226 4.511 4.740 -0.005 0.000 0.249 191 N C -0.639 174.774 175.510 -0.163 0.000 1.047 191 N CA 0.717 53.471 53.050 -0.493 0.000 0.707 191 N CB -0.869 37.347 38.487 -0.451 0.000 0.937 191 N HN 0.374 nan 8.380 nan 0.000 0.545 192 A N 0.336 123.097 122.820 -0.099 0.000 2.802 192 A HA 0.578 4.894 4.320 -0.005 0.000 0.344 192 A C -1.348 176.195 177.584 -0.069 0.000 1.215 192 A CA -1.050 50.960 52.037 -0.045 0.000 0.821 192 A CB 1.016 20.029 19.000 0.023 0.000 1.099 192 A HN 0.182 nan 8.150 nan 0.000 0.479 193 P HA -0.221 nan 4.420 nan 0.000 0.214 193 P C 1.590 178.803 177.300 -0.144 0.000 1.163 193 P CA 1.208 64.233 63.100 -0.124 0.000 0.889 193 P CB 0.095 31.719 31.700 -0.127 0.000 0.790 194 L N -1.002 120.151 121.223 -0.117 0.000 1.994 194 L HA -0.167 4.170 4.340 -0.005 0.000 0.208 194 L C 2.627 179.462 176.870 -0.058 0.000 1.071 194 L CA 1.764 56.541 54.840 -0.106 0.000 0.745 194 L CB -1.588 40.427 42.059 -0.073 0.000 0.892 194 L HN -0.079 nan 8.230 nan 0.000 0.431 195 A N 0.616 123.416 122.820 -0.033 0.000 1.958 195 A HA -0.205 4.112 4.320 -0.005 0.000 0.221 195 A C 2.397 180.003 177.584 0.037 0.000 1.178 195 A CA 2.075 54.116 52.037 0.007 0.000 0.642 195 A CB -1.416 17.585 19.000 0.001 0.000 0.816 195 A HN 0.494 nan 8.150 nan 0.000 0.453 196 G N 0.050 108.847 108.800 -0.004 0.000 2.433 196 G HA2 -0.189 3.768 3.960 -0.005 0.000 0.216 196 G HA3 -0.189 3.768 3.960 -0.005 0.000 0.216 196 G C 1.528 176.468 174.900 0.066 0.000 1.186 196 G CA 1.110 46.222 45.100 0.020 0.000 0.779 196 G HN 0.499 nan 8.290 nan 0.000 0.543 197 I N 0.499 121.051 120.570 -0.031 0.000 2.163 197 I HA -0.134 4.033 4.170 -0.005 0.000 0.243 197 I C 2.620 178.762 176.117 0.042 0.000 1.085 197 I CA 0.614 61.895 61.300 -0.032 0.000 1.347 197 I CB -0.388 37.513 38.000 -0.164 0.000 1.044 197 I HN 0.061 nan 8.210 nan 0.000 0.408 198 L N 0.059 121.312 121.223 0.051 0.000 2.127 198 L HA -0.238 4.099 4.340 -0.005 0.000 0.211 198 L C 2.555 179.503 176.870 0.131 0.000 1.089 198 L CA 1.920 56.803 54.840 0.073 0.000 0.757 198 L CB -1.122 40.973 42.059 0.059 0.000 0.899 198 L HN 0.248 nan 8.230 nan 0.000 0.434 199 F N 0.669 120.620 119.950 0.001 0.000 2.102 199 F HA -0.235 4.289 4.527 -0.005 0.000 0.298 199 F C 2.328 178.138 175.800 0.018 0.000 1.105 199 F CA 1.225 59.240 58.000 0.025 0.000 1.239 199 F CB -0.271 38.748 39.000 0.031 0.000 0.991 199 F HN -0.052 nan 8.300 nan 0.000 0.474 200 I N 0.987 121.537 120.570 -0.034 0.000 2.127 200 I HA -0.264 3.902 4.170 -0.005 0.000 0.241 200 I C 2.263 178.297 176.117 -0.138 0.000 1.075 200 I CA 1.843 63.056 61.300 -0.145 0.000 1.334 200 I CB -0.790 37.184 38.000 -0.042 0.000 1.040 200 I HN 0.331 nan 8.210 nan 0.000 0.405 201 I N -2.745 117.787 120.570 -0.063 0.000 3.735 201 I HA 0.060 4.227 4.170 -0.005 0.000 0.310 201 I C 1.795 177.871 176.117 -0.067 0.000 1.270 201 I CA 0.886 62.150 61.300 -0.061 0.000 1.207 201 I CB -0.302 37.687 38.000 -0.019 0.000 1.013 201 I HN 0.266 nan 8.210 nan 0.000 0.452 202 E N 1.374 121.529 120.200 -0.075 0.000 2.280 202 E HA -0.076 4.270 4.350 -0.005 0.000 0.197 202 E C 1.561 178.093 176.600 -0.114 0.000 0.913 202 E CA 0.451 56.810 56.400 -0.068 0.000 0.995 202 E CB 0.292 29.985 29.700 -0.013 0.000 0.991 202 E HN 0.475 nan 8.360 nan 0.000 0.484 203 E N -0.757 119.346 120.200 -0.162 0.000 2.490 203 E HA 0.094 4.440 4.350 -0.005 0.000 0.209 203 E C 1.519 177.954 176.600 -0.275 0.000 0.971 203 E CA 0.217 56.508 56.400 -0.181 0.000 0.988 203 E CB 0.398 30.048 29.700 -0.084 0.000 1.029 203 E HN 0.139 nan 8.360 nan 0.000 0.496 204 M N 0.861 120.211 119.600 -0.417 0.000 2.466 204 M HA 0.184 4.661 4.480 -0.005 0.000 0.265 204 M C 0.633 176.803 176.300 -0.216 0.000 1.122 204 M CA 0.528 55.600 55.300 -0.381 0.000 1.157 204 M CB -0.310 31.965 32.600 -0.542 0.000 1.352 204 M HN 0.039 nan 8.290 nan 0.000 0.464 205 R N 0.984 121.364 120.500 -0.199 0.000 2.615 205 R HA 0.343 4.680 4.340 -0.005 0.000 0.270 205 R C -2.535 173.663 176.300 -0.171 0.000 1.081 205 R CA -1.602 54.390 56.100 -0.179 0.000 1.154 205 R CB -1.217 28.971 30.300 -0.187 0.000 1.063 205 R HN -0.113 nan 8.270 nan 0.000 0.519 206 P HA -0.091 nan 4.420 nan 0.000 0.255 206 P C -0.354 176.842 177.300 -0.173 0.000 1.173 206 P CA 0.466 63.498 63.100 -0.114 0.000 0.780 206 P CB 0.519 32.141 31.700 -0.129 0.000 0.758 207 Q N 2.372 122.008 119.800 -0.274 0.000 2.436 207 Q HA -0.007 4.329 4.340 -0.005 0.000 0.209 207 Q C 0.504 175.962 176.000 -0.904 0.000 0.965 207 Q CA 1.610 57.025 55.803 -0.647 0.000 0.910 207 Q CB -0.212 27.985 28.738 -0.901 0.000 0.980 207 Q HN 0.487 nan 8.270 nan 0.000 0.491 208 F N -1.370 118.572 119.950 -0.013 0.000 2.752 208 F HA 0.287 4.810 4.527 -0.005 0.000 0.310 208 F C 0.607 176.415 175.800 0.014 0.000 1.097 208 F CA -0.496 57.505 58.000 0.002 0.000 1.238 208 F CB 0.400 39.403 39.000 0.005 0.000 1.061 208 F HN -0.132 nan 8.300 nan 0.000 0.591 209 R N -1.289 119.294 120.500 0.137 0.000 2.912 209 R HA 0.436 4.773 4.340 -0.005 0.000 0.262 209 R C -1.184 175.166 176.300 0.083 0.000 1.057 209 R CA -0.891 55.280 56.100 0.118 0.000 0.981 209 R CB 0.698 31.067 30.300 0.115 0.000 1.201 209 R HN -0.033 nan 8.270 nan 0.000 0.484 210 Y N 0.946 121.240 120.300 -0.011 0.000 2.457 210 Y HA 0.243 4.790 4.550 -0.005 0.000 0.341 210 Y C -0.730 175.136 175.900 -0.057 0.000 1.240 210 Y CA 0.931 59.011 58.100 -0.032 0.000 1.437 210 Y CB 1.043 39.493 38.460 -0.015 0.000 1.328 210 Y HN 0.772 nan 8.280 nan 0.000 0.588 211 T N 4.869 118.886 114.554 -0.894 0.000 2.864 211 T HA 0.413 4.760 4.350 -0.005 0.000 0.299 211 T C -0.762 173.441 174.700 -0.827 0.000 1.166 211 T CA -0.880 60.814 62.100 -0.678 0.000 1.007 211 T CB 1.335 69.883 68.868 -0.534 0.000 1.219 211 T HN 0.416 nan 8.240 nan 0.000 0.506 212 L N 0.669 121.664 121.223 -0.380 0.000 3.073 212 L HA 0.461 4.798 4.340 -0.005 0.000 0.242 212 L C -0.102 176.707 176.870 -0.100 0.000 1.317 212 L CA -0.023 54.703 54.840 -0.189 0.000 1.081 212 L CB -0.832 41.228 42.059 0.001 0.000 1.456 212 L HN 0.519 nan 8.230 nan 0.000 0.525 213 I N 0.283 120.759 120.570 -0.158 0.000 2.505 213 I HA 0.012 4.178 4.170 -0.005 0.000 0.287 213 I C 0.970 177.061 176.117 -0.044 0.000 1.104 213 I CA 0.221 61.476 61.300 -0.075 0.000 1.387 213 I CB 0.858 38.799 38.000 -0.100 0.000 1.404 213 I HN 0.275 nan 8.210 nan 0.000 0.528 214 S N 6.798 122.494 115.700 -0.007 0.000 2.430 214 S HA 0.265 4.732 4.470 -0.005 0.000 0.282 214 S C 1.162 175.778 174.600 0.026 0.000 1.186 214 S CA -0.549 57.656 58.200 0.008 0.000 1.060 214 S CB 0.235 63.444 63.200 0.016 0.000 0.966 214 S HN 0.529 nan 8.310 nan 0.000 0.501 215 I N 4.787 125.375 120.570 0.031 0.000 2.614 215 I HA -0.108 4.058 4.170 -0.005 0.000 0.258 215 I C 2.476 178.668 176.117 0.125 0.000 1.189 215 I CA 0.876 62.226 61.300 0.083 0.000 1.462 215 I CB -0.124 37.921 38.000 0.075 0.000 1.092 215 I HN 0.661 nan 8.210 nan 0.000 0.442 216 K N 1.277 121.697 120.400 0.033 0.000 2.057 216 K HA -0.150 4.167 4.320 -0.005 0.000 0.206 216 K C 2.250 178.907 176.600 0.095 0.000 1.050 216 K CA 1.303 57.588 56.287 -0.003 0.000 0.935 216 K CB -0.049 32.419 32.500 -0.054 0.000 0.715 216 K HN 0.281 nan 8.250 nan 0.000 0.439 217 A N 0.773 123.634 122.820 0.067 0.000 1.877 217 A HA -0.129 4.188 4.320 -0.005 0.000 0.216 217 A C 2.202 179.831 177.584 0.076 0.000 1.186 217 A CA 1.799 53.870 52.037 0.055 0.000 0.620 217 A CB -0.799 18.217 19.000 0.028 0.000 0.822 217 A HN 0.159 nan 8.150 nan 0.000 0.443 218 V N -1.198 118.770 119.914 0.090 0.000 2.324 218 V HA -0.307 3.810 4.120 -0.005 0.000 0.250 218 V C 2.265 178.410 176.094 0.085 0.000 1.060 218 V CA 2.244 64.587 62.300 0.071 0.000 1.042 218 V CB -1.172 30.695 31.823 0.074 0.000 0.650 218 V HN 0.497 nan 8.190 nan 0.000 0.450 219 F N 0.213 120.153 119.950 -0.017 0.000 2.025 219 F HA -0.205 4.319 4.527 -0.005 0.000 0.297 219 F C 2.246 178.033 175.800 -0.021 0.000 1.132 219 F CA 2.150 60.141 58.000 -0.015 0.000 1.191 219 F CB -0.473 38.519 39.000 -0.012 0.000 0.963 219 F HN 0.024 nan 8.300 nan 0.000 0.481 220 I N -0.429 120.253 120.570 0.186 0.000 2.118 220 I HA -0.331 3.836 4.170 -0.005 0.000 0.241 220 I C 2.753 178.872 176.117 0.003 0.000 1.070 220 I CA 1.648 62.992 61.300 0.074 0.000 1.327 220 I CB -1.464 36.558 38.000 0.036 0.000 1.034 220 I HN 0.267 nan 8.210 nan 0.000 0.405 221 G N 0.584 109.375 108.800 -0.015 0.000 2.469 221 G HA2 -0.207 3.750 3.960 -0.005 0.000 0.219 221 G HA3 -0.207 3.750 3.960 -0.005 0.000 0.219 221 G C 1.700 176.568 174.900 -0.054 0.000 1.150 221 G CA 1.163 46.234 45.100 -0.048 0.000 0.763 221 G HN 0.281 nan 8.290 nan 0.000 0.561 222 V N 0.742 120.616 119.914 -0.066 0.000 2.358 222 V HA -0.114 4.003 4.120 -0.005 0.000 0.246 222 V C 2.758 178.805 176.094 -0.079 0.000 1.047 222 V CA 1.309 63.551 62.300 -0.095 0.000 1.035 222 V CB -0.369 31.355 31.823 -0.165 0.000 0.658 222 V HN 0.267 nan 8.190 nan 0.000 0.452 223 I N -0.571 119.960 120.570 -0.065 0.000 2.151 223 I HA -0.270 3.897 4.170 -0.005 0.000 0.243 223 I C 2.445 178.556 176.117 -0.010 0.000 1.080 223 I CA 1.828 63.112 61.300 -0.027 0.000 1.339 223 I CB -0.580 37.431 38.000 0.018 0.000 1.039 223 I HN 0.195 nan 8.210 nan 0.000 0.409 224 M N -0.252 119.336 119.600 -0.019 0.000 2.067 224 M HA -0.154 4.322 4.480 -0.005 0.000 0.260 224 M C 2.603 178.902 176.300 -0.002 0.000 1.069 224 M CA 2.185 57.475 55.300 -0.018 0.000 1.117 224 M CB -1.786 30.785 32.600 -0.048 0.000 1.334 224 M HN 0.471 nan 8.290 nan 0.000 0.407 225 S N -0.967 114.723 115.700 -0.016 0.000 2.447 225 S HA -0.083 4.384 4.470 -0.005 0.000 0.233 225 S C 1.783 176.409 174.600 0.043 0.000 1.006 225 S CA 1.603 59.803 58.200 0.001 0.000 0.957 225 S CB -0.613 62.567 63.200 -0.032 0.000 0.773 225 S HN 0.480 nan 8.310 nan 0.000 0.507 226 T N 2.210 116.780 114.554 0.027 0.000 2.896 226 T HA 0.244 4.591 4.350 -0.005 0.000 0.263 226 T C 1.664 176.438 174.700 0.124 0.000 1.050 226 T CA 1.025 63.160 62.100 0.059 0.000 1.140 226 T CB -0.306 68.563 68.868 0.003 0.000 0.877 226 T HN 0.378 nan 8.240 nan 0.000 0.457 227 I N 1.059 121.679 120.570 0.084 0.000 2.142 227 I HA -0.186 3.980 4.170 -0.005 0.000 0.240 227 I C 2.503 178.698 176.117 0.131 0.000 1.078 227 I CA 1.025 62.380 61.300 0.092 0.000 1.343 227 I CB -0.316 37.718 38.000 0.058 0.000 1.046 227 I HN 0.171 nan 8.210 nan 0.000 0.405 228 M N -0.260 119.418 119.600 0.130 0.000 2.108 228 M HA -0.299 4.178 4.480 -0.005 0.000 0.257 228 M C 2.436 178.879 176.300 0.239 0.000 1.071 228 M CA 2.046 57.454 55.300 0.180 0.000 1.093 228 M CB -1.597 31.066 32.600 0.104 0.000 1.345 228 M HN 0.315 nan 8.290 nan 0.000 0.403 229 Y N 1.017 121.364 120.300 0.079 0.000 2.163 229 Y HA -0.137 4.410 4.550 -0.006 0.000 0.288 229 Y C 2.419 178.375 175.900 0.093 0.000 1.136 229 Y CA 1.656 59.798 58.100 0.069 0.000 1.147 229 Y CB -0.118 38.357 38.460 0.024 0.000 0.987 229 Y HN 0.095 nan 8.280 nan 0.000 0.509 230 R N 0.344 120.966 120.500 0.203 0.000 2.189 230 R HA -0.085 4.252 4.340 -0.005 0.000 0.223 230 R C 2.104 178.395 176.300 -0.015 0.000 1.092 230 R CA 1.355 57.515 56.100 0.100 0.000 0.989 230 R CB -0.467 29.937 30.300 0.172 0.000 0.876 230 R HN 0.492 nan 8.270 nan 0.000 0.457 231 I N -0.375 120.204 120.570 0.016 0.000 2.676 231 I HA -0.180 3.987 4.170 -0.005 0.000 0.259 231 I C 1.051 176.902 176.117 -0.443 0.000 1.194 231 I CA 1.338 62.569 61.300 -0.116 0.000 1.473 231 I CB -0.072 37.868 38.000 -0.099 0.000 1.096 231 I HN 0.022 nan 8.210 nan 0.000 0.443 232 F N -0.568 119.148 119.950 -0.391 0.000 2.746 232 F HA 0.198 4.722 4.527 -0.006 0.000 0.313 232 F C 1.706 177.122 175.800 -0.639 0.000 1.095 232 F CA 0.049 57.769 58.000 -0.467 0.000 1.224 232 F CB 0.041 38.874 39.000 -0.278 0.000 1.060 232 F HN -0.028 nan 8.300 nan 0.000 0.584 233 N N -0.510 117.853 118.700 -0.562 0.000 2.171 233 N HA -0.007 4.729 4.740 -0.005 0.000 0.212 233 N C -0.331 175.008 175.510 -0.285 0.000 1.184 233 N CA 0.034 52.779 53.050 -0.509 0.000 0.888 233 N CB 0.111 38.065 38.487 -0.889 0.000 1.038 233 N HN 0.266 nan 8.380 nan 0.000 0.517 234 H N 2.111 121.126 119.070 -0.092 0.000 3.190 234 H HA -0.088 4.464 4.556 -0.006 0.000 0.308 234 H C 0.100 175.425 175.328 -0.004 0.000 0.972 234 H CA 0.373 56.407 56.048 -0.024 0.000 1.349 234 H CB -0.464 29.278 29.762 -0.034 0.000 1.267 234 H HN 0.160 nan 8.280 nan 0.000 0.584 235 E N -0.314 120.005 120.200 0.199 0.000 2.358 235 E HA -0.066 4.280 4.350 -0.005 0.000 0.246 235 E C -1.124 175.539 176.600 0.106 0.000 1.127 235 E CA 0.613 57.085 56.400 0.120 0.000 0.726 235 E CB -2.252 27.488 29.700 0.068 0.000 1.272 235 E HN 0.663 nan 8.360 nan 0.000 0.390 236 V N -3.033 116.945 119.914 0.106 0.000 2.923 236 V HA 0.536 4.653 4.120 -0.005 0.000 0.261 236 V C 0.034 176.192 176.094 0.106 0.000 1.271 236 V CA -0.438 61.916 62.300 0.091 0.000 0.932 236 V CB 1.090 32.965 31.823 0.088 0.000 1.083 236 V HN 0.427 nan 8.190 nan 0.000 0.481 237 A N 3.887 126.755 122.820 0.081 0.000 2.401 237 A HA 0.747 5.064 4.320 -0.005 0.000 0.259 237 A C 1.148 178.758 177.584 0.044 0.000 1.103 237 A CA -0.327 51.751 52.037 0.069 0.000 0.789 237 A CB 0.612 19.629 19.000 0.029 0.000 1.035 237 A HN 1.017 nan 8.150 nan 0.000 0.491 238 L N 1.757 122.999 121.223 0.033 0.000 2.013 238 L HA -0.139 4.198 4.340 -0.005 0.000 0.212 238 L C 0.521 177.284 176.870 -0.178 0.000 1.073 238 L CA 1.292 56.105 54.840 -0.046 0.000 0.753 238 L CB -0.412 41.574 42.059 -0.122 0.000 0.890 238 L HN 0.591 nan 8.230 nan 0.000 0.432 239 I N -0.930 119.516 120.570 -0.207 0.000 2.569 239 I HA 0.264 4.431 4.170 -0.005 0.000 0.296 239 I C -1.094 174.973 176.117 -0.083 0.000 1.028 239 I CA -0.595 60.599 61.300 -0.177 0.000 1.082 239 I CB 2.255 40.100 38.000 -0.258 0.000 1.264 239 I HN -0.101 nan 8.210 nan 0.000 0.429 240 D N 4.815 125.187 120.400 -0.046 0.000 2.602 240 D HA 0.300 4.936 4.640 -0.005 0.000 0.245 240 D C -0.545 175.744 176.300 -0.018 0.000 1.325 240 D CA -0.150 53.836 54.000 -0.023 0.000 0.952 240 D CB 2.409 43.206 40.800 -0.005 0.000 1.317 240 D HN 0.191 nan 8.370 nan 0.000 0.577 241 V N 2.298 122.200 119.914 -0.019 0.000 3.502 241 V HA 0.412 4.529 4.120 -0.005 0.000 0.288 241 V C 1.025 177.114 176.094 -0.009 0.000 1.461 241 V CA 0.785 63.077 62.300 -0.013 0.000 1.029 241 V CB -0.030 31.783 31.823 -0.017 0.000 0.843 241 V HN 0.908 nan 8.190 nan 0.000 0.438 242 G N 1.547 110.342 108.800 -0.008 0.000 2.846 242 G HA2 -0.243 3.714 3.960 -0.005 0.000 0.660 242 G HA3 -0.243 3.714 3.960 -0.005 0.000 0.660 242 G C -0.429 174.466 174.900 -0.007 0.000 1.464 242 G CA -0.031 45.066 45.100 -0.005 0.000 0.891 242 G HN 0.414 nan 8.290 nan 0.000 0.552 243 K N 0.732 121.129 120.400 -0.005 0.000 2.310 243 K HA 0.497 4.814 4.320 -0.005 0.000 0.290 243 K C 1.126 177.720 176.600 -0.010 0.000 1.077 243 K CA -0.572 55.710 56.287 -0.008 0.000 0.922 243 K CB 0.141 32.638 32.500 -0.005 0.000 1.057 243 K HN 0.441 nan 8.250 nan 0.000 0.479 244 L N 2.441 123.655 121.223 -0.016 0.000 2.475 244 L HA 0.166 4.502 4.340 -0.005 0.000 0.250 244 L C 1.098 177.956 176.870 -0.020 0.000 1.224 244 L CA 0.233 55.064 54.840 -0.015 0.000 0.821 244 L CB 0.568 42.612 42.059 -0.024 0.000 1.141 244 L HN 0.971 nan 8.230 nan 0.000 0.494 245 S N -0.280 115.412 115.700 -0.014 0.000 2.618 245 S HA 0.122 4.588 4.470 -0.005 0.000 0.254 245 S C -0.151 174.423 174.600 -0.043 0.000 1.284 245 S CA -0.589 57.602 58.200 -0.015 0.000 0.975 245 S CB 0.644 63.850 63.200 0.011 0.000 1.022 245 S HN 0.536 nan 8.310 nan 0.000 0.571 246 D N -0.180 120.194 120.400 -0.042 0.000 2.478 246 D HA 0.707 5.344 4.640 -0.005 0.000 0.263 246 D C -0.754 175.496 176.300 -0.084 0.000 1.153 246 D CA -0.171 53.785 54.000 -0.073 0.000 1.038 246 D CB 1.301 42.064 40.800 -0.062 0.000 1.120 246 D HN 0.820 nan 8.370 nan 0.000 0.564 247 A N 1.097 123.844 122.820 -0.121 0.000 2.409 247 A HA 0.582 4.899 4.320 -0.005 0.000 0.300 247 A C -2.458 175.064 177.584 -0.103 0.000 1.273 247 A CA -1.174 50.785 52.037 -0.130 0.000 0.774 247 A CB 0.465 19.309 19.000 -0.261 0.000 1.144 247 A HN 0.286 nan 8.150 nan 0.000 0.472 248 P HA 0.253 nan 4.420 nan 0.000 0.269 248 P C 0.716 177.979 177.300 -0.062 0.000 1.215 248 P CA -0.414 62.654 63.100 -0.053 0.000 0.780 248 P CB 0.627 32.308 31.700 -0.032 0.000 0.898 249 L N 1.197 122.395 121.223 -0.043 0.000 2.141 249 L HA -0.129 4.207 4.340 -0.005 0.000 0.209 249 L C 1.832 178.707 176.870 0.007 0.000 1.094 249 L CA 1.327 56.152 54.840 -0.024 0.000 0.763 249 L CB -1.090 40.960 42.059 -0.015 0.000 0.908 249 L HN 0.463 nan 8.230 nan 0.000 0.437 250 N N -1.289 117.403 118.700 -0.013 0.000 2.627 250 N HA -0.098 4.638 4.740 -0.005 0.000 0.196 250 N C 0.858 176.300 175.510 -0.114 0.000 1.268 250 N CA 1.201 54.252 53.050 0.002 0.000 0.904 250 N CB -0.490 38.013 38.487 0.027 0.000 1.016 250 N HN 0.299 nan 8.380 nan 0.000 0.448 251 T N -0.354 114.125 114.554 -0.126 0.000 2.969 251 T HA 0.261 4.608 4.350 -0.005 0.000 0.250 251 T C 1.790 176.488 174.700 -0.003 0.000 1.021 251 T CA -0.349 61.608 62.100 -0.239 0.000 1.003 251 T CB 0.209 69.004 68.868 -0.121 0.000 1.040 251 T HN 0.041 nan 8.240 nan 0.000 0.492 252 L N 1.717 123.013 121.223 0.121 0.000 2.081 252 L HA -0.125 4.212 4.340 -0.005 0.000 0.212 252 L C 2.889 179.907 176.870 0.246 0.000 1.080 252 L CA 1.624 56.572 54.840 0.181 0.000 0.754 252 L CB -0.678 41.427 42.059 0.077 0.000 0.893 252 L HN 0.561 nan 8.230 nan 0.000 0.433 253 W N 0.524 121.865 121.300 0.069 0.000 2.325 253 W HA -0.217 4.441 4.660 -0.005 0.000 0.299 253 W C 1.837 178.413 176.519 0.095 0.000 1.215 253 W CA 0.729 58.112 57.345 0.063 0.000 1.244 253 W CB -1.418 28.055 29.460 0.022 0.000 1.140 253 W HN 0.150 nan 8.180 nan 0.000 0.523 254 L N -0.080 120.724 121.223 -0.698 0.000 2.127 254 L HA -0.266 4.071 4.340 -0.005 0.000 0.211 254 L C 2.647 179.399 176.870 -0.197 0.000 1.089 254 L CA 1.773 56.235 54.840 -0.630 0.000 0.757 254 L CB -0.949 40.656 42.059 -0.757 0.000 0.899 254 L HN -0.100 nan 8.230 nan 0.000 0.434 255 Y N -1.276 119.018 120.300 -0.009 0.000 2.395 255 Y HA -0.187 4.361 4.550 -0.005 0.000 0.293 255 Y C 2.161 178.032 175.900 -0.049 0.000 1.123 255 Y CA 0.585 58.683 58.100 -0.003 0.000 1.227 255 Y CB -0.162 38.280 38.460 -0.030 0.000 1.012 255 Y HN 0.077 nan 8.280 nan 0.000 0.552 256 L N -0.284 121.021 121.223 0.136 0.000 2.056 256 L HA -0.145 4.191 4.340 -0.005 0.000 0.207 256 L C 1.871 178.772 176.870 0.051 0.000 1.078 256 L CA 1.533 56.434 54.840 0.101 0.000 0.749 256 L CB -0.850 41.295 42.059 0.143 0.000 0.901 256 L HN 0.083 nan 8.230 nan 0.000 0.433 257 I N -0.596 119.997 120.570 0.040 0.000 2.127 257 I HA -0.266 3.901 4.170 -0.005 0.000 0.241 257 I C 2.361 178.390 176.117 -0.147 0.000 1.075 257 I CA 1.306 62.618 61.300 0.020 0.000 1.334 257 I CB -1.002 37.059 38.000 0.101 0.000 1.040 257 I HN 0.300 nan 8.210 nan 0.000 0.405 258 L N 0.722 121.686 121.223 -0.432 0.000 2.127 258 L HA -0.116 4.221 4.340 -0.005 0.000 0.211 258 L C 2.318 179.093 176.870 -0.160 0.000 1.089 258 L CA 2.153 56.586 54.840 -0.678 0.000 0.757 258 L CB -1.384 40.118 42.059 -0.927 0.000 0.899 258 L HN 0.286 nan 8.230 nan 0.000 0.434 259 G N -0.363 108.417 108.800 -0.034 0.000 2.402 259 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.216 259 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.216 259 G C 1.497 176.446 174.900 0.081 0.000 1.162 259 G CA 0.831 45.973 45.100 0.070 0.000 0.777 259 G HN 0.354 nan 8.290 nan 0.000 0.539 260 I N 1.806 122.398 120.570 0.036 0.000 2.226 260 I HA -0.110 4.057 4.170 -0.005 0.000 0.245 260 I C 2.809 178.942 176.117 0.027 0.000 1.100 260 I CA 0.671 62.000 61.300 0.047 0.000 1.374 260 I CB -0.943 37.087 38.000 0.051 0.000 1.057 260 I HN 0.145 nan 8.210 nan 0.000 0.413 261 I N 0.134 120.676 120.570 -0.048 0.000 2.163 261 I HA -0.297 3.870 4.170 -0.005 0.000 0.243 261 I C 2.680 178.730 176.117 -0.111 0.000 1.085 261 I CA 1.754 62.978 61.300 -0.126 0.000 1.347 261 I CB -1.400 36.431 38.000 -0.282 0.000 1.044 261 I HN 0.087 nan 8.210 nan 0.000 0.408 262 F N 1.606 121.525 119.950 -0.052 0.000 2.216 262 F HA -0.101 4.423 4.527 -0.005 0.000 0.300 262 F C 2.671 178.501 175.800 0.051 0.000 1.085 262 F CA 1.359 59.364 58.000 0.009 0.000 1.326 262 F CB -0.628 38.343 39.000 -0.048 0.000 1.027 262 F HN 0.089 nan 8.300 nan 0.000 0.497 263 G N 0.365 109.276 108.800 0.185 0.000 2.421 263 G HA2 -0.206 3.751 3.960 -0.005 0.000 0.217 263 G HA3 -0.206 3.751 3.960 -0.005 0.000 0.217 263 G C 1.503 176.455 174.900 0.088 0.000 1.143 263 G CA 1.070 46.236 45.100 0.111 0.000 0.784 263 G HN 0.463 nan 8.290 nan 0.000 0.541 264 I N -2.989 117.637 120.570 0.093 0.000 2.716 264 I HA 0.318 4.485 4.170 -0.005 0.000 0.259 264 I C 2.144 178.308 176.117 0.077 0.000 1.172 264 I CA 0.503 61.847 61.300 0.074 0.000 1.478 264 I CB -0.330 37.710 38.000 0.067 0.000 1.104 264 I HN 0.031 nan 8.210 nan 0.000 0.439 265 F N 1.917 121.837 119.950 -0.051 0.000 2.530 265 F HA 0.392 4.917 4.527 -0.003 0.000 0.292 265 F C 2.230 177.999 175.800 -0.053 0.000 1.109 265 F CA 0.657 58.608 58.000 -0.082 0.000 1.450 265 F CB -0.441 38.501 39.000 -0.097 0.000 1.114 265 F HN 0.082 nan 8.300 nan 0.000 0.560 266 G N 1.343 110.152 108.800 0.014 0.000 2.459 266 G HA2 -0.225 3.732 3.960 -0.005 0.000 0.217 266 G HA3 -0.225 3.732 3.960 -0.005 0.000 0.217 266 G C -0.673 174.133 174.900 -0.157 0.000 1.183 266 G CA 1.015 46.077 45.100 -0.063 0.000 0.776 266 G HN 0.280 nan 8.290 nan 0.000 0.552 267 P HA -0.039 nan 4.420 nan 0.000 0.216 267 P C 1.998 179.150 177.300 -0.247 0.000 1.150 267 P CA 0.717 63.738 63.100 -0.132 0.000 0.837 267 P CB -0.026 31.625 31.700 -0.080 0.000 0.786 268 I N -2.097 118.228 120.570 -0.409 0.000 2.127 268 I HA -0.265 3.901 4.170 -0.005 0.000 0.241 268 I C 2.220 177.737 176.117 -1.000 0.000 1.075 268 I CA 1.615 62.496 61.300 -0.700 0.000 1.334 268 I CB -0.818 36.681 38.000 -0.836 0.000 1.040 268 I HN -0.081 nan 8.210 nan 0.000 0.405 269 F N 2.258 121.525 119.950 -1.139 0.000 2.120 269 F HA -0.268 4.255 4.527 -0.005 0.000 0.300 269 F C 2.289 177.916 175.800 -0.288 0.000 1.095 269 F CA 1.948 59.490 58.000 -0.763 0.000 1.249 269 F CB -0.629 37.982 39.000 -0.648 0.000 0.995 269 F HN 0.119 nan 8.300 nan 0.000 0.480 270 N N -0.090 118.534 118.700 -0.127 0.000 2.104 270 N HA -0.220 4.516 4.740 -0.005 0.000 0.190 270 N C 1.792 177.266 175.510 -0.060 0.000 1.024 270 N CA 1.378 54.396 53.050 -0.054 0.000 0.853 270 N CB -0.165 38.319 38.487 -0.006 0.000 1.008 270 N HN 0.331 nan 8.380 nan 0.000 0.424 271 K N 0.340 120.682 120.400 -0.097 0.000 2.020 271 K HA -0.177 4.140 4.320 -0.005 0.000 0.212 271 K C 1.891 178.570 176.600 0.132 0.000 1.050 271 K CA 1.406 57.696 56.287 0.005 0.000 0.929 271 K CB -0.161 32.333 32.500 -0.010 0.000 0.714 271 K HN 0.262 nan 8.250 nan 0.000 0.443 272 W N 0.418 121.627 121.300 -0.152 0.000 2.315 272 W HA -0.200 4.456 4.660 -0.007 0.000 0.323 272 W C 2.252 178.651 176.519 -0.200 0.000 1.233 272 W CA 0.584 57.817 57.345 -0.187 0.000 1.267 272 W CB -1.422 27.879 29.460 -0.265 0.000 1.160 272 W HN -0.023 nan 8.180 nan 0.000 0.474 273 V N 0.796 120.681 119.914 -0.048 0.000 2.392 273 V HA -0.270 3.847 4.120 -0.005 0.000 0.249 273 V C 2.073 178.209 176.094 0.070 0.000 1.059 273 V CA 1.892 64.175 62.300 -0.028 0.000 1.051 273 V CB -0.533 31.258 31.823 -0.054 0.000 0.658 273 V HN 0.150 nan 8.190 nan 0.000 0.455 274 L N 0.300 121.566 121.223 0.071 0.000 2.023 274 L HA 0.050 4.386 4.340 -0.005 0.000 0.205 274 L C 2.756 179.659 176.870 0.055 0.000 1.073 274 L CA 1.677 56.563 54.840 0.076 0.000 0.745 274 L CB -1.283 40.819 42.059 0.071 0.000 0.900 274 L HN 0.460 nan 8.230 nan 0.000 0.435 275 G N -0.569 108.266 108.800 0.058 0.000 2.462 275 G HA2 -0.316 3.641 3.960 -0.005 0.000 0.220 275 G HA3 -0.316 3.641 3.960 -0.005 0.000 0.220 275 G C 1.523 176.429 174.900 0.011 0.000 1.121 275 G CA 0.712 45.835 45.100 0.038 0.000 0.758 275 G HN 0.162 nan 8.290 nan 0.000 0.559 276 M N 0.084 119.692 119.600 0.013 0.000 2.288 276 M HA 0.148 4.625 4.480 -0.005 0.000 0.266 276 M C 2.486 178.787 176.300 0.002 0.000 1.072 276 M CA 1.153 56.447 55.300 -0.010 0.000 1.132 276 M CB -0.343 32.252 32.600 -0.007 0.000 1.386 276 M HN 0.277 nan 8.290 nan 0.000 0.432 277 Q N -0.160 119.656 119.800 0.027 0.000 2.046 277 Q HA -0.184 4.153 4.340 -0.005 0.000 0.200 277 Q C 1.640 177.652 176.000 0.020 0.000 0.975 277 Q CA 1.714 57.540 55.803 0.037 0.000 0.836 277 Q CB -0.155 28.612 28.738 0.049 0.000 0.896 277 Q HN 0.502 nan 8.270 nan 0.000 0.428 278 D N 0.641 121.044 120.400 0.005 0.000 2.104 278 D HA -0.187 4.450 4.640 -0.005 0.000 0.194 278 D C 1.900 178.187 176.300 -0.022 0.000 0.994 278 D CA 0.947 54.941 54.000 -0.011 0.000 0.830 278 D CB -0.192 40.601 40.800 -0.011 0.000 0.959 278 D HN 0.180 nan 8.370 nan 0.000 0.452 279 L N 0.390 121.589 121.223 -0.040 0.000 2.141 279 L HA -0.090 4.247 4.340 -0.005 0.000 0.209 279 L C 2.254 179.046 176.870 -0.130 0.000 1.094 279 L CA 0.786 55.583 54.840 -0.072 0.000 0.763 279 L CB -0.021 41.997 42.059 -0.068 0.000 0.908 279 L HN -0.028 nan 8.230 nan 0.000 0.437 280 L N -1.405 119.734 121.223 -0.140 0.000 2.395 280 L HA -0.155 4.182 4.340 -0.005 0.000 0.218 280 L C 2.118 178.641 176.870 -0.578 0.000 1.130 280 L CA 0.459 55.142 54.840 -0.262 0.000 0.826 280 L CB -0.394 41.575 42.059 -0.150 0.000 0.941 280 L HN 0.341 nan 8.230 nan 0.000 0.451 281 H N 0.055 118.831 119.070 -0.491 0.000 2.502 281 H HA -0.016 4.537 4.556 -0.006 0.000 0.283 281 H C 2.211 177.210 175.328 -0.549 0.000 1.015 281 H CA 1.065 56.755 56.048 -0.597 0.000 1.298 281 H CB 0.292 29.942 29.762 -0.188 0.000 1.411 281 H HN 0.120 nan 8.280 nan 0.000 0.556 282 R N -0.835 119.482 120.500 -0.305 0.000 2.153 282 R HA -0.017 4.319 4.340 -0.005 0.000 0.218 282 R C 2.084 178.203 176.300 -0.303 0.000 1.072 282 R CA 0.974 56.942 56.100 -0.220 0.000 0.990 282 R CB 0.117 30.341 30.300 -0.127 0.000 0.889 282 R HN 0.163 nan 8.270 nan 0.000 0.452 283 V N 1.017 120.668 119.914 -0.438 0.000 2.427 283 V HA -0.201 3.916 4.120 -0.005 0.000 0.248 283 V C 1.650 177.542 176.094 -0.336 0.000 1.051 283 V CA 2.031 64.120 62.300 -0.352 0.000 1.048 283 V CB -0.424 31.201 31.823 -0.329 0.000 0.666 283 V HN 0.520 nan 8.190 nan 0.000 0.456 284 H N -1.284 117.580 119.070 -0.344 0.000 2.652 284 H HA 0.445 4.997 4.556 -0.005 0.000 0.274 284 H C 1.613 176.757 175.328 -0.308 0.000 1.021 284 H CA -0.102 55.755 56.048 -0.317 0.000 1.187 284 H CB -0.376 29.132 29.762 -0.424 0.000 1.505 284 H HN 0.256 nan 8.280 nan 0.000 0.530 285 G N 0.448 109.109 108.800 -0.231 0.000 2.219 285 G HA2 -0.213 3.743 3.960 -0.005 0.000 0.271 285 G HA3 -0.213 3.743 3.960 -0.005 0.000 0.271 285 G C 1.386 176.222 174.900 -0.107 0.000 0.991 285 G CA 1.134 46.146 45.100 -0.147 0.000 0.685 285 G HN 1.597 nan 8.290 nan 0.000 0.531 286 G N -1.210 107.514 108.800 -0.127 0.000 2.176 286 G HA2 -0.208 3.749 3.960 -0.005 0.000 0.232 286 G HA3 -0.208 3.749 3.960 -0.005 0.000 0.232 286 G C 0.104 175.121 174.900 0.196 0.000 0.986 286 G CA 0.707 45.842 45.100 0.058 0.000 0.643 286 G HN 1.767 nan 8.290 nan 0.000 0.522 287 N N 0.750 119.528 118.700 0.129 0.000 2.420 287 N HA 0.402 5.138 4.740 -0.005 0.000 0.262 287 N C 1.545 177.160 175.510 0.175 0.000 1.144 287 N CA 0.148 53.273 53.050 0.125 0.000 0.952 287 N CB 0.464 39.002 38.487 0.085 0.000 1.081 287 N HN 0.357 nan 8.380 nan 0.000 0.480 288 I N 2.501 123.155 120.570 0.141 0.000 2.657 288 I HA -0.246 3.921 4.170 -0.005 0.000 0.261 288 I C 0.660 176.877 176.117 0.166 0.000 1.212 288 I CA 1.308 62.686 61.300 0.130 0.000 1.453 288 I CB 0.081 38.111 38.000 0.050 0.000 1.092 288 I HN 0.566 nan 8.210 nan 0.000 0.452 289 T N 0.062 114.697 114.554 0.137 0.000 3.031 289 T HA -0.002 4.345 4.350 -0.005 0.000 0.254 289 T C 1.771 176.539 174.700 0.113 0.000 1.060 289 T CA 0.608 62.778 62.100 0.116 0.000 1.135 289 T CB 0.104 69.018 68.868 0.077 0.000 0.896 289 T HN 0.304 nan 8.240 nan 0.000 0.472 290 K N 0.032 120.503 120.400 0.118 0.000 2.217 290 K HA -0.010 4.307 4.320 -0.005 0.000 0.202 290 K C 1.934 178.621 176.600 0.145 0.000 1.051 290 K CA 0.535 56.883 56.287 0.102 0.000 0.952 290 K CB 0.042 32.593 32.500 0.085 0.000 0.736 290 K HN 0.293 nan 8.250 nan 0.000 0.453 291 W N 1.147 122.429 121.300 -0.030 0.000 2.381 291 W HA -0.149 4.507 4.660 -0.006 0.000 0.321 291 W C 1.658 178.115 176.519 -0.103 0.000 1.196 291 W CA 1.026 58.298 57.345 -0.121 0.000 1.304 291 W CB -0.653 28.631 29.460 -0.295 0.000 1.166 291 W HN -0.250 nan 8.180 nan 0.000 0.473 292 V N 1.361 121.439 119.914 0.274 0.000 2.688 292 V HA -0.294 3.822 4.120 -0.005 0.000 0.256 292 V C 2.267 178.371 176.094 0.016 0.000 1.084 292 V CA 1.440 63.821 62.300 0.134 0.000 1.103 292 V CB -0.924 31.014 31.823 0.192 0.000 0.688 292 V HN 0.154 nan 8.190 nan 0.000 0.480 293 L N -1.473 119.772 121.223 0.037 0.000 2.168 293 L HA -0.021 4.316 4.340 -0.005 0.000 0.203 293 L C 2.376 179.225 176.870 -0.035 0.000 1.078 293 L CA 1.196 56.041 54.840 0.009 0.000 0.780 293 L CB -0.362 41.715 42.059 0.031 0.000 0.939 293 L HN 0.299 nan 8.230 nan 0.000 0.451 294 M N -0.116 119.464 119.600 -0.034 0.000 2.213 294 M HA -0.119 4.357 4.480 -0.005 0.000 0.263 294 M C 1.984 178.170 176.300 -0.191 0.000 1.062 294 M CA 1.908 57.171 55.300 -0.062 0.000 1.105 294 M CB -0.340 32.243 32.600 -0.028 0.000 1.385 294 M HN 0.279 nan 8.290 nan 0.000 0.417 295 G N -0.601 107.924 108.800 -0.458 0.000 2.404 295 G HA2 -0.160 3.797 3.960 -0.005 0.000 0.215 295 G HA3 -0.160 3.797 3.960 -0.005 0.000 0.215 295 G C 1.369 175.916 174.900 -0.588 0.000 1.174 295 G CA 0.760 45.087 45.100 -1.288 0.000 0.780 295 G HN 0.592 nan 8.290 nan 0.000 0.537 296 G N 0.632 109.248 108.800 -0.307 0.000 2.509 296 G HA2 0.168 4.125 3.960 -0.005 0.000 0.218 296 G HA3 0.168 4.125 3.960 -0.005 0.000 0.218 296 G C 1.796 176.642 174.900 -0.090 0.000 1.124 296 G CA 1.400 46.437 45.100 -0.105 0.000 0.776 296 G HN 0.636 nan 8.290 nan 0.000 0.547 297 A N 0.820 123.601 122.820 -0.065 0.000 1.855 297 A HA 0.171 4.488 4.320 -0.005 0.000 0.213 297 A C 2.227 179.773 177.584 -0.063 0.000 1.195 297 A CA 1.120 53.174 52.037 0.028 0.000 0.610 297 A CB -0.279 18.755 19.000 0.056 0.000 0.837 297 A HN 0.213 nan 8.150 nan 0.000 0.444 298 I N 0.737 121.273 120.570 -0.057 0.000 2.163 298 I HA -0.164 4.003 4.170 -0.005 0.000 0.243 298 I C 2.673 178.752 176.117 -0.065 0.000 1.085 298 I CA 1.367 62.652 61.300 -0.024 0.000 1.347 298 I CB -1.193 36.833 38.000 0.044 0.000 1.044 298 I HN 0.309 nan 8.210 nan 0.000 0.408 299 G N -0.087 108.674 108.800 -0.065 0.000 2.442 299 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.219 299 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.219 299 G C 1.816 176.553 174.900 -0.270 0.000 1.141 299 G CA 0.884 45.941 45.100 -0.071 0.000 0.763 299 G HN 0.531 nan 8.290 nan 0.000 0.554 300 G N 0.801 109.253 108.800 -0.580 0.000 2.402 300 G HA2 -0.099 3.858 3.960 -0.005 0.000 0.216 300 G HA3 -0.099 3.858 3.960 -0.005 0.000 0.216 300 G C 1.735 176.022 174.900 -1.022 0.000 1.162 300 G CA 0.995 45.264 45.100 -1.385 0.000 0.777 300 G HN 0.433 nan 8.290 nan 0.000 0.539 301 L N 0.907 121.813 121.223 -0.528 0.000 2.043 301 L HA -0.101 4.236 4.340 -0.005 0.000 0.212 301 L C 2.745 179.576 176.870 -0.065 0.000 1.075 301 L CA 1.675 56.445 54.840 -0.118 0.000 0.752 301 L CB -1.044 41.014 42.059 -0.002 0.000 0.891 301 L HN 0.256 nan 8.230 nan 0.000 0.432 302 C N 0.232 119.482 119.300 -0.082 0.000 2.413 302 C HA -0.128 4.329 4.460 -0.005 0.000 0.278 302 C C 2.798 177.788 174.990 -0.001 0.000 1.224 302 C CA 1.005 60.014 59.018 -0.016 0.000 1.732 302 C CB -1.982 25.757 27.740 -0.002 0.000 2.050 302 C HN 0.771 nan 8.230 nan 0.000 0.463 303 G N -0.340 108.433 108.800 -0.046 0.000 2.479 303 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.220 303 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.220 303 G C 1.538 176.472 174.900 0.056 0.000 1.115 303 G CA 0.989 46.088 45.100 -0.001 0.000 0.757 303 G HN 0.547 nan 8.290 nan 0.000 0.560 304 L N -0.223 121.033 121.223 0.056 0.000 2.068 304 L HA 0.247 4.584 4.340 -0.005 0.000 0.204 304 L C 2.656 179.636 176.870 0.184 0.000 1.076 304 L CA 1.017 55.940 54.840 0.138 0.000 0.753 304 L CB -0.186 41.987 42.059 0.190 0.000 0.910 304 L HN 0.149 nan 8.230 nan 0.000 0.439 305 L N -0.403 120.902 121.223 0.137 0.000 2.083 305 L HA -0.111 4.226 4.340 -0.005 0.000 0.209 305 L C 2.308 179.265 176.870 0.146 0.000 1.083 305 L CA 1.122 56.045 54.840 0.139 0.000 0.752 305 L CB -1.045 41.074 42.059 0.100 0.000 0.899 305 L HN 0.490 nan 8.230 nan 0.000 0.433 306 G N -1.454 107.429 108.800 0.138 0.000 2.653 306 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.212 306 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.212 306 G C 1.140 176.157 174.900 0.195 0.000 1.138 306 G CA 0.351 45.534 45.100 0.138 0.000 0.782 306 G HN 0.374 nan 8.290 nan 0.000 0.535 307 F N -0.156 119.834 119.950 0.067 0.000 2.581 307 F HA 0.158 4.684 4.527 -0.002 0.000 0.278 307 F C 2.207 178.064 175.800 0.096 0.000 1.000 307 F CA 0.679 58.723 58.000 0.073 0.000 1.230 307 F CB 0.157 39.191 39.000 0.057 0.000 1.008 307 F HN 0.004 nan 8.300 nan 0.000 0.695 308 V N -0.557 119.478 119.914 0.202 0.000 3.129 308 V HA 0.506 4.623 4.120 -0.005 0.000 0.259 308 V C 0.463 176.601 176.094 0.073 0.000 1.116 308 V CA 1.039 63.414 62.300 0.126 0.000 1.127 308 V CB -0.527 31.436 31.823 0.235 0.000 0.742 308 V HN 0.423 nan 8.190 nan 0.000 0.474 309 A N 0.122 123.000 122.820 0.096 0.000 3.200 309 A HA 0.642 4.959 4.320 -0.005 0.000 0.274 309 A C -1.816 175.844 177.584 0.126 0.000 1.220 309 A CA -0.230 51.889 52.037 0.136 0.000 0.904 309 A CB 0.285 19.430 19.000 0.242 0.000 1.415 309 A HN 0.308 nan 8.150 nan 0.000 0.630 310 P HA -0.134 nan 4.420 nan 0.000 0.221 310 P C 1.460 178.819 177.300 0.098 0.000 1.145 310 P CA 1.808 64.960 63.100 0.087 0.000 0.795 310 P CB 0.291 32.029 31.700 0.063 0.000 0.775 311 A N -0.730 122.155 122.820 0.109 0.000 2.208 311 A HA -0.026 4.290 4.320 -0.005 0.000 0.209 311 A C 1.956 179.558 177.584 0.030 0.000 1.161 311 A CA 1.574 53.661 52.037 0.083 0.000 0.782 311 A CB -1.368 17.666 19.000 0.057 0.000 0.816 311 A HN 0.334 nan 8.150 nan 0.000 0.477 312 T N -4.028 110.544 114.554 0.030 0.000 3.057 312 T HA 0.225 4.572 4.350 -0.005 0.000 0.254 312 T C 1.025 175.730 174.700 0.009 0.000 1.094 312 T CA 0.759 62.840 62.100 -0.032 0.000 1.088 312 T CB -0.048 68.791 68.868 -0.049 0.000 0.934 312 T HN 0.222 nan 8.240 nan 0.000 0.497 313 S N -0.589 115.138 115.700 0.045 0.000 2.776 313 S HA 0.696 5.162 4.470 -0.005 0.000 0.306 313 S C 0.605 175.239 174.600 0.057 0.000 1.114 313 S CA 0.334 58.565 58.200 0.053 0.000 0.973 313 S CB 0.744 63.983 63.200 0.066 0.000 1.250 313 S HN 1.384 nan 8.310 nan 0.000 0.549 314 G N -0.173 108.661 108.800 0.057 0.000 2.855 314 G HA2 -0.043 3.914 3.960 -0.005 0.000 0.352 314 G HA3 -0.043 3.914 3.960 -0.005 0.000 0.352 314 G C 0.780 175.702 174.900 0.038 0.000 1.415 314 G CA 0.029 45.162 45.100 0.054 0.000 0.871 314 G HN 1.427 nan 8.290 nan 0.000 0.543 315 G N -1.233 107.575 108.800 0.012 0.000 2.433 315 G HA2 0.380 4.337 3.960 -0.005 0.000 0.216 315 G HA3 0.380 4.337 3.960 -0.005 0.000 0.216 315 G C 1.878 176.748 174.900 -0.049 0.000 1.186 315 G CA 2.506 47.573 45.100 -0.055 0.000 0.779 315 G HN 2.688 nan 8.290 nan 0.000 0.543 316 G N -1.148 107.665 108.800 0.021 0.000 2.624 316 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.190 316 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.190 316 G C 1.236 176.293 174.900 0.262 0.000 1.008 316 G CA 0.327 45.492 45.100 0.108 0.000 0.731 316 G HN 0.341 nan 8.290 nan 0.000 0.478 317 F N 1.818 121.839 119.950 0.119 0.000 2.236 317 F HA -0.191 4.332 4.527 -0.006 0.000 0.302 317 F C 2.533 178.400 175.800 0.111 0.000 1.073 317 F CA 1.439 59.509 58.000 0.117 0.000 1.336 317 F CB -0.029 39.049 39.000 0.130 0.000 1.040 317 F HN 0.213 nan 8.300 nan 0.000 0.507 318 N N 1.069 119.953 118.700 0.307 0.000 2.142 318 N HA -0.155 4.581 4.740 -0.005 0.000 0.186 318 N C 1.619 177.251 175.510 0.204 0.000 1.023 318 N CA 1.279 54.458 53.050 0.215 0.000 0.852 318 N CB -0.653 37.942 38.487 0.180 0.000 0.998 318 N HN 0.351 nan 8.380 nan 0.000 0.424 319 L N -2.186 119.185 121.223 0.246 0.000 2.554 319 L HA 0.241 4.578 4.340 -0.005 0.000 0.226 319 L C 1.354 178.392 176.870 0.280 0.000 1.137 319 L CA 0.564 55.593 54.840 0.313 0.000 0.863 319 L CB -0.238 42.054 42.059 0.387 0.000 0.985 319 L HN -0.100 nan 8.230 nan 0.000 0.451 320 I N 1.354 122.054 120.570 0.215 0.000 2.058 320 I HA -0.111 4.055 4.170 -0.005 0.000 0.235 320 I C 0.225 176.406 176.117 0.107 0.000 1.053 320 I CA 1.175 62.570 61.300 0.160 0.000 1.313 320 I CB -2.583 35.483 38.000 0.110 0.000 1.039 320 I HN 0.221 nan 8.210 nan 0.000 0.396 321 P HA -0.167 nan 4.420 nan 0.000 0.217 321 P C 2.012 179.310 177.300 -0.003 0.000 1.148 321 P CA 1.429 64.544 63.100 0.025 0.000 0.834 321 P CB -0.019 31.692 31.700 0.017 0.000 0.783 322 I N -1.213 119.350 120.570 -0.012 0.000 2.286 322 I HA -0.150 4.017 4.170 -0.005 0.000 0.245 322 I C 2.185 178.158 176.117 -0.240 0.000 1.104 322 I CA 1.660 62.847 61.300 -0.188 0.000 1.397 322 I CB -1.591 36.220 38.000 -0.315 0.000 1.072 322 I HN -0.065 nan 8.210 nan 0.000 0.417 323 A N 0.984 123.827 122.820 0.038 0.000 1.897 323 A HA -0.133 4.184 4.320 -0.005 0.000 0.215 323 A C 2.400 180.052 177.584 0.113 0.000 1.181 323 A CA 2.076 54.239 52.037 0.210 0.000 0.620 323 A CB -1.055 18.190 19.000 0.408 0.000 0.821 323 A HN 0.385 nan 8.150 nan 0.000 0.443 324 T N 0.653 115.260 114.554 0.087 0.000 2.759 324 T HA -0.081 4.266 4.350 -0.005 0.000 0.269 324 T C 2.079 176.801 174.700 0.037 0.000 1.042 324 T CA 1.541 63.681 62.100 0.067 0.000 1.140 324 T CB -0.406 68.490 68.868 0.046 0.000 0.864 324 T HN 0.581 nan 8.240 nan 0.000 0.455 325 A N 0.562 123.381 122.820 -0.001 0.000 2.067 325 A HA 0.399 4.716 4.320 -0.005 0.000 0.219 325 A C 2.005 179.583 177.584 -0.011 0.000 1.158 325 A CA 1.225 53.252 52.037 -0.016 0.000 0.661 325 A CB -0.869 18.102 19.000 -0.049 0.000 0.801 325 A HN 0.927 nan 8.150 nan 0.000 0.452 326 G N -0.848 107.948 108.800 -0.007 0.000 2.142 326 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.225 326 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.225 326 G C 0.251 175.137 174.900 -0.024 0.000 1.015 326 G CA 0.391 45.502 45.100 0.018 0.000 0.716 326 G HN 0.627 nan 8.290 nan 0.000 0.508 327 N N -0.986 117.634 118.700 -0.133 0.000 2.412 327 N HA 0.240 4.977 4.740 -0.005 0.000 0.184 327 N C -0.008 175.386 175.510 -0.194 0.000 1.101 327 N CA -0.082 52.852 53.050 -0.194 0.000 0.881 327 N CB 0.177 38.491 38.487 -0.287 0.000 0.969 327 N HN 0.337 nan 8.380 nan 0.000 0.459 328 F N 1.105 121.083 119.950 0.047 0.000 2.397 328 F HA 0.245 4.765 4.527 -0.012 0.000 0.331 328 F C 1.220 177.045 175.800 0.042 0.000 1.090 328 F CA -1.679 56.353 58.000 0.053 0.000 1.065 328 F CB 0.971 40.015 39.000 0.074 0.000 1.184 328 F HN -0.151 nan 8.300 nan 0.000 0.499 329 S N 2.423 118.281 115.700 0.262 0.000 2.617 329 S HA 0.116 4.582 4.470 -0.005 0.000 0.259 329 S C 1.099 175.776 174.600 0.129 0.000 1.301 329 S CA -0.556 57.728 58.200 0.141 0.000 0.984 329 S CB 0.570 63.827 63.200 0.096 0.000 0.954 329 S HN 0.758 nan 8.310 nan 0.000 0.572 330 M N 1.644 121.288 119.600 0.073 0.000 2.200 330 M HA 0.188 4.665 4.480 -0.005 0.000 0.265 330 M C 1.904 178.235 176.300 0.052 0.000 1.066 330 M CA 2.135 57.464 55.300 0.049 0.000 1.127 330 M CB -1.409 31.199 32.600 0.013 0.000 1.379 330 M HN 0.880 nan 8.290 nan 0.000 0.420 331 G N 0.180 109.012 108.800 0.052 0.000 2.433 331 G HA2 -0.267 3.690 3.960 -0.005 0.000 0.216 331 G HA3 -0.267 3.690 3.960 -0.005 0.000 0.216 331 G C 1.486 176.443 174.900 0.095 0.000 1.186 331 G CA 1.266 46.401 45.100 0.059 0.000 0.779 331 G HN 0.496 nan 8.290 nan 0.000 0.543 332 M N 0.432 120.086 119.600 0.089 0.000 2.106 332 M HA 0.055 4.531 4.480 -0.005 0.000 0.259 332 M C 2.353 178.691 176.300 0.064 0.000 1.068 332 M CA 1.262 56.619 55.300 0.095 0.000 1.100 332 M CB -0.472 32.187 32.600 0.098 0.000 1.351 332 M HN 0.181 nan 8.290 nan 0.000 0.404 333 L N -1.389 119.863 121.223 0.048 0.000 2.083 333 L HA -0.205 4.131 4.340 -0.005 0.000 0.209 333 L C 2.232 179.140 176.870 0.064 0.000 1.083 333 L CA 0.928 55.781 54.840 0.021 0.000 0.752 333 L CB -0.749 41.350 42.059 0.066 0.000 0.899 333 L HN 0.180 nan 8.230 nan 0.000 0.433 334 V N -0.489 119.476 119.914 0.085 0.000 2.358 334 V HA -0.308 3.809 4.120 -0.005 0.000 0.246 334 V C 2.166 178.359 176.094 0.165 0.000 1.047 334 V CA 1.790 64.155 62.300 0.107 0.000 1.035 334 V CB -0.575 31.297 31.823 0.081 0.000 0.658 334 V HN 0.357 nan 8.190 nan 0.000 0.452 335 F N 0.776 120.745 119.950 0.033 0.000 2.046 335 F HA -0.224 4.303 4.527 0.001 0.000 0.297 335 F C 2.253 178.066 175.800 0.021 0.000 1.123 335 F CA 2.043 60.056 58.000 0.023 0.000 1.199 335 F CB -0.212 38.783 39.000 -0.008 0.000 0.972 335 F HN 0.017 nan 8.300 nan 0.000 0.474 336 I N -0.404 120.061 120.570 -0.174 0.000 2.248 336 I HA -0.323 3.844 4.170 -0.005 0.000 0.248 336 I C 2.371 178.380 176.117 -0.180 0.000 1.107 336 I CA 1.568 62.700 61.300 -0.280 0.000 1.373 336 I CB -0.764 37.122 38.000 -0.191 0.000 1.055 336 I HN 0.269 nan 8.210 nan 0.000 0.418 337 F N 1.438 121.288 119.950 -0.166 0.000 2.051 337 F HA -0.200 4.323 4.527 -0.007 0.000 0.296 337 F C 2.439 178.194 175.800 -0.076 0.000 1.122 337 F CA 1.676 59.618 58.000 -0.097 0.000 1.201 337 F CB -0.532 38.422 39.000 -0.078 0.000 0.978 337 F HN -0.266 nan 8.300 nan 0.000 0.472 338 V N 0.574 120.470 119.914 -0.030 0.000 2.255 338 V HA -0.350 3.767 4.120 -0.005 0.000 0.247 338 V C 2.733 178.708 176.094 -0.198 0.000 1.051 338 V CA 2.011 64.265 62.300 -0.078 0.000 1.018 338 V CB -1.560 30.274 31.823 0.018 0.000 0.641 338 V HN 0.503 nan 8.190 nan 0.000 0.445 339 A N -0.457 122.156 122.820 -0.346 0.000 1.948 339 A HA -0.271 4.045 4.320 -0.005 0.000 0.220 339 A C 2.359 179.812 177.584 -0.218 0.000 1.177 339 A CA 2.109 53.933 52.037 -0.355 0.000 0.636 339 A CB -0.517 18.068 19.000 -0.691 0.000 0.815 339 A HN 0.535 nan 8.150 nan 0.000 0.449 340 R N -1.035 119.326 120.500 -0.231 0.000 2.153 340 R HA 0.031 4.368 4.340 -0.005 0.000 0.218 340 R C 1.943 178.187 176.300 -0.093 0.000 1.072 340 R CA 1.001 57.015 56.100 -0.143 0.000 0.990 340 R CB -0.276 29.941 30.300 -0.137 0.000 0.889 340 R HN 0.406 nan 8.270 nan 0.000 0.452 341 V N 1.405 121.220 119.914 -0.165 0.000 2.407 341 V HA -0.238 3.879 4.120 -0.005 0.000 0.248 341 V C 2.228 178.376 176.094 0.089 0.000 1.055 341 V CA 1.373 63.693 62.300 0.033 0.000 1.049 341 V CB -0.327 31.524 31.823 0.047 0.000 0.662 341 V HN 0.235 nan 8.190 nan 0.000 0.455 342 I N 1.212 121.778 120.570 -0.007 0.000 2.202 342 I HA -0.169 3.997 4.170 -0.005 0.000 0.242 342 I C 2.770 178.895 176.117 0.013 0.000 1.091 342 I CA 2.413 63.703 61.300 -0.016 0.000 1.368 342 I CB -1.702 36.270 38.000 -0.046 0.000 1.058 342 I HN 0.538 nan 8.210 nan 0.000 0.410 343 T N -2.762 111.800 114.554 0.013 0.000 2.985 343 T HA -0.066 4.280 4.350 -0.005 0.000 0.266 343 T C 1.796 176.548 174.700 0.087 0.000 1.076 343 T CA 1.397 63.522 62.100 0.041 0.000 1.135 343 T CB -0.702 68.181 68.868 0.026 0.000 0.890 343 T HN 0.164 nan 8.240 nan 0.000 0.480 344 T N 2.150 116.771 114.554 0.111 0.000 2.857 344 T HA 0.208 4.555 4.350 -0.005 0.000 0.266 344 T C 1.864 176.692 174.700 0.212 0.000 1.048 344 T CA 0.749 62.957 62.100 0.179 0.000 1.139 344 T CB -0.390 68.616 68.868 0.231 0.000 0.874 344 T HN 0.257 nan 8.240 nan 0.000 0.455 345 L N 0.219 121.536 121.223 0.157 0.000 1.976 345 L HA -0.065 4.272 4.340 -0.005 0.000 0.209 345 L C 2.450 179.391 176.870 0.118 0.000 1.071 345 L CA 0.992 55.892 54.840 0.100 0.000 0.746 345 L CB -0.538 41.530 42.059 0.015 0.000 0.890 345 L HN 0.202 nan 8.230 nan 0.000 0.432 346 L N -0.771 120.504 121.223 0.087 0.000 2.081 346 L HA -0.299 4.038 4.340 -0.005 0.000 0.212 346 L C 2.485 179.436 176.870 0.134 0.000 1.080 346 L CA 1.739 56.628 54.840 0.083 0.000 0.754 346 L CB -0.488 41.606 42.059 0.058 0.000 0.893 346 L HN 0.365 nan 8.230 nan 0.000 0.433 347 C N -2.518 116.881 119.300 0.166 0.000 2.505 347 C HA -0.040 4.417 4.460 -0.005 0.000 0.279 347 C C 2.535 177.661 174.990 0.226 0.000 1.316 347 C CA 0.028 59.166 59.018 0.201 0.000 1.720 347 C CB -0.750 27.101 27.740 0.185 0.000 2.050 347 C HN 0.589 nan 8.230 nan 0.000 0.493 348 F N 1.944 121.964 119.950 0.116 0.000 2.149 348 F HA -0.064 4.460 4.527 -0.005 0.000 0.294 348 F C 2.516 178.386 175.800 0.116 0.000 1.095 348 F CA 1.861 59.928 58.000 0.111 0.000 1.276 348 F CB -0.573 38.505 39.000 0.128 0.000 1.023 348 F HN 0.052 nan 8.300 nan 0.000 0.480 349 S N -0.067 115.715 115.700 0.136 0.000 2.374 349 S HA -0.232 4.235 4.470 -0.005 0.000 0.227 349 S C 1.891 176.518 174.600 0.045 0.000 1.037 349 S CA 1.506 59.736 58.200 0.049 0.000 1.024 349 S CB -0.976 62.279 63.200 0.091 0.000 0.861 349 S HN 0.550 nan 8.310 nan 0.000 0.456 350 S N 1.013 116.787 115.700 0.124 0.000 2.881 350 S HA 0.270 4.736 4.470 -0.005 0.000 0.228 350 S C 1.350 176.177 174.600 0.378 0.000 0.965 350 S CA 0.491 58.852 58.200 0.269 0.000 0.998 350 S CB -0.991 62.406 63.200 0.328 0.000 0.795 350 S HN 0.770 nan 8.310 nan 0.000 0.518 351 G N 0.557 109.420 108.800 0.105 0.000 2.269 351 G HA2 -0.213 3.744 3.960 -0.005 0.000 0.277 351 G HA3 -0.213 3.744 3.960 -0.005 0.000 0.277 351 G C 0.372 175.154 174.900 -0.197 0.000 1.008 351 G CA 0.162 45.249 45.100 -0.021 0.000 0.774 351 G HN 1.415 nan 8.290 nan 0.000 0.511 352 A N 0.657 123.324 122.820 -0.256 0.000 2.483 352 A HA 0.570 4.887 4.320 -0.005 0.000 0.238 352 A C -1.034 176.364 177.584 -0.309 0.000 1.070 352 A CA -0.366 51.339 52.037 -0.553 0.000 0.770 352 A CB 0.372 19.166 19.000 -0.342 0.000 1.008 352 A HN 0.314 nan 8.150 nan 0.000 0.497 353 P HA 0.428 nan 4.420 nan 0.000 0.276 353 P C 0.062 177.334 177.300 -0.048 0.000 1.243 353 P CA 0.730 63.736 63.100 -0.157 0.000 0.768 353 P CB 0.800 32.413 31.700 -0.144 0.000 0.856 354 G N 1.808 110.614 108.800 0.010 0.000 2.312 354 G HA2 0.373 4.330 3.960 -0.005 0.000 0.322 354 G HA3 0.373 4.330 3.960 -0.005 0.000 0.322 354 G C -0.296 174.736 174.900 0.221 0.000 1.645 354 G CA -0.419 44.732 45.100 0.085 0.000 0.919 354 G HN 0.592 nan 8.290 nan 0.000 0.699 355 G N -0.588 108.307 108.800 0.158 0.000 2.651 355 G HA2 0.530 4.487 3.960 -0.005 0.000 0.260 355 G HA3 0.530 4.487 3.960 -0.005 0.000 0.260 355 G C 0.914 175.906 174.900 0.153 0.000 1.216 355 G CA 0.160 45.376 45.100 0.193 0.000 0.913 355 G HN 1.353 nan 8.290 nan 0.000 0.535 356 I N -1.033 119.521 120.570 -0.027 0.000 4.139 356 I HA 0.281 4.448 4.170 -0.005 0.000 0.335 356 I C 1.720 177.904 176.117 0.111 0.000 1.327 356 I CA -0.343 60.869 61.300 -0.146 0.000 1.112 356 I CB 0.071 37.643 38.000 -0.714 0.000 1.058 356 I HN 0.499 nan 8.210 nan 0.000 0.396 357 F N 1.623 121.620 119.950 0.078 0.000 2.025 357 F HA -0.326 4.197 4.527 -0.005 0.000 0.297 357 F C 2.556 178.406 175.800 0.084 0.000 1.132 357 F CA 2.505 60.577 58.000 0.121 0.000 1.191 357 F CB -0.696 38.440 39.000 0.228 0.000 0.963 357 F HN 0.166 nan 8.300 nan 0.000 0.481 358 A N -0.033 123.004 122.820 0.362 0.000 1.883 358 A HA -0.167 4.150 4.320 -0.005 0.000 0.217 358 A C -0.272 177.341 177.584 0.049 0.000 1.186 358 A CA 2.077 54.219 52.037 0.175 0.000 0.624 358 A CB -2.178 16.820 19.000 -0.004 0.000 0.822 358 A HN 0.329 nan 8.150 nan 0.000 0.444 359 P HA -0.089 nan 4.420 nan 0.000 0.222 359 P C 1.542 178.851 177.300 0.015 0.000 1.147 359 P CA 0.972 64.092 63.100 0.034 0.000 0.790 359 P CB -0.116 31.622 31.700 0.063 0.000 0.780 360 M N -1.508 118.078 119.600 -0.024 0.000 2.156 360 M HA -0.082 4.394 4.480 -0.005 0.000 0.264 360 M C 1.931 178.176 176.300 -0.092 0.000 1.067 360 M CA 1.600 56.834 55.300 -0.110 0.000 1.131 360 M CB -0.754 31.723 32.600 -0.204 0.000 1.368 360 M HN -0.045 nan 8.290 nan 0.000 0.416 361 L N -0.224 120.960 121.223 -0.065 0.000 2.042 361 L HA -0.199 4.138 4.340 -0.005 0.000 0.210 361 L C 2.810 179.712 176.870 0.054 0.000 1.076 361 L CA 1.321 56.144 54.840 -0.028 0.000 0.749 361 L CB -1.037 41.051 42.059 0.048 0.000 0.893 361 L HN 0.292 nan 8.230 nan 0.000 0.432 362 A N 0.394 123.273 122.820 0.098 0.000 1.908 362 A HA -0.174 4.143 4.320 -0.005 0.000 0.218 362 A C 2.249 179.909 177.584 0.127 0.000 1.181 362 A CA 1.592 53.706 52.037 0.128 0.000 0.627 362 A CB -0.732 18.339 19.000 0.118 0.000 0.818 362 A HN 0.390 nan 8.150 nan 0.000 0.445 363 L N -0.876 120.407 121.223 0.100 0.000 2.056 363 L HA -0.078 4.259 4.340 -0.005 0.000 0.207 363 L C 2.849 179.897 176.870 0.295 0.000 1.078 363 L CA 1.011 55.962 54.840 0.186 0.000 0.749 363 L CB -1.170 40.934 42.059 0.075 0.000 0.901 363 L HN 0.473 nan 8.230 nan 0.000 0.433 364 G N 0.141 109.056 108.800 0.192 0.000 2.459 364 G HA2 -0.270 3.687 3.960 -0.005 0.000 0.217 364 G HA3 -0.270 3.687 3.960 -0.005 0.000 0.217 364 G C 1.556 176.593 174.900 0.227 0.000 1.183 364 G CA 1.473 46.702 45.100 0.215 0.000 0.776 364 G HN 0.296 nan 8.290 nan 0.000 0.552 365 T N 0.960 115.598 114.554 0.140 0.000 2.607 365 T HA -0.185 4.162 4.350 -0.005 0.000 0.267 365 T C 2.468 177.273 174.700 0.175 0.000 1.049 365 T CA 1.621 63.806 62.100 0.143 0.000 1.162 365 T CB -0.631 68.317 68.868 0.134 0.000 0.863 365 T HN 0.033 nan 8.240 nan 0.000 0.424 366 V N 1.391 121.419 119.914 0.190 0.000 2.324 366 V HA -0.143 3.974 4.120 -0.005 0.000 0.250 366 V C 2.412 178.560 176.094 0.091 0.000 1.060 366 V CA 1.486 63.892 62.300 0.177 0.000 1.042 366 V CB -0.711 31.240 31.823 0.213 0.000 0.650 366 V HN 0.298 nan 8.190 nan 0.000 0.450 367 L N 1.120 122.375 121.223 0.054 0.000 2.005 367 L HA 0.027 4.364 4.340 -0.005 0.000 0.207 367 L C 2.406 179.236 176.870 -0.066 0.000 1.072 367 L CA 2.466 57.171 54.840 -0.224 0.000 0.744 367 L CB -1.490 40.334 42.059 -0.392 0.000 0.895 367 L HN 0.264 nan 8.230 nan 0.000 0.433 368 G N -1.773 107.105 108.800 0.130 0.000 2.446 368 G HA2 -0.287 3.670 3.960 -0.005 0.000 0.217 368 G HA3 -0.287 3.670 3.960 -0.005 0.000 0.217 368 G C 1.441 176.471 174.900 0.217 0.000 1.168 368 G CA 1.314 46.535 45.100 0.202 0.000 0.771 368 G HN 0.435 nan 8.290 nan 0.000 0.551 369 T N 1.669 116.330 114.554 0.178 0.000 2.759 369 T HA -0.048 4.299 4.350 -0.005 0.000 0.269 369 T C 2.776 177.543 174.700 0.112 0.000 1.042 369 T CA 1.621 63.822 62.100 0.169 0.000 1.140 369 T CB -0.374 68.596 68.868 0.169 0.000 0.864 369 T HN 0.409 nan 8.240 nan 0.000 0.455 370 A N 1.085 123.940 122.820 0.059 0.000 1.877 370 A HA -0.035 4.282 4.320 -0.005 0.000 0.216 370 A C 2.019 179.578 177.584 -0.041 0.000 1.186 370 A CA 1.473 53.502 52.037 -0.012 0.000 0.620 370 A CB -1.045 17.901 19.000 -0.090 0.000 0.822 370 A HN 0.496 nan 8.150 nan 0.000 0.443 371 F N 1.202 121.041 119.950 -0.185 0.000 2.095 371 F HA -0.088 4.436 4.527 -0.004 0.000 0.298 371 F C 2.334 177.927 175.800 -0.345 0.000 1.104 371 F CA 1.757 59.596 58.000 -0.268 0.000 1.232 371 F CB -0.716 38.114 39.000 -0.284 0.000 0.987 371 F HN 0.215 nan 8.300 nan 0.000 0.475 372 G N 0.425 109.188 108.800 -0.061 0.000 2.476 372 G HA2 -0.327 3.629 3.960 -0.005 0.000 0.218 372 G HA3 -0.327 3.629 3.960 -0.005 0.000 0.218 372 G C 1.674 176.473 174.900 -0.169 0.000 1.164 372 G CA 1.250 46.267 45.100 -0.139 0.000 0.768 372 G HN 0.428 nan 8.290 nan 0.000 0.560 373 M N -0.265 119.280 119.600 -0.093 0.000 2.080 373 M HA -0.081 4.396 4.480 -0.005 0.000 0.260 373 M C 2.736 178.937 176.300 -0.165 0.000 1.068 373 M CA 1.109 56.358 55.300 -0.084 0.000 1.109 373 M CB -0.339 32.237 32.600 -0.040 0.000 1.342 373 M HN 0.129 nan 8.290 nan 0.000 0.405 374 V N 0.328 120.090 119.914 -0.253 0.000 2.255 374 V HA -0.314 3.803 4.120 -0.005 0.000 0.247 374 V C 2.595 178.492 176.094 -0.328 0.000 1.051 374 V CA 2.094 64.219 62.300 -0.292 0.000 1.018 374 V CB -1.383 30.223 31.823 -0.362 0.000 0.641 374 V HN 0.566 nan 8.190 nan 0.000 0.445 375 A N -0.242 122.253 122.820 -0.541 0.000 1.884 375 A HA -0.242 4.074 4.320 -0.005 0.000 0.219 375 A C 2.403 179.935 177.584 -0.086 0.000 1.197 375 A CA 2.463 54.231 52.037 -0.449 0.000 0.637 375 A CB -1.034 17.363 19.000 -1.005 0.000 0.827 375 A HN 0.330 nan 8.150 nan 0.000 0.450 376 V N 0.226 120.079 119.914 -0.102 0.000 2.546 376 V HA -0.256 3.861 4.120 -0.005 0.000 0.254 376 V C 2.511 178.590 176.094 -0.024 0.000 1.076 376 V CA 2.410 64.716 62.300 0.012 0.000 1.087 376 V CB -0.544 31.289 31.823 0.018 0.000 0.674 376 V HN 0.796 nan 8.190 nan 0.000 0.470 377 E N -0.616 119.530 120.200 -0.090 0.000 2.340 377 E HA -0.020 4.327 4.350 -0.005 0.000 0.194 377 E C 1.956 178.428 176.600 -0.212 0.000 0.996 377 E CA 0.304 56.628 56.400 -0.127 0.000 0.869 377 E CB 0.168 29.794 29.700 -0.122 0.000 0.835 377 E HN 0.578 nan 8.360 nan 0.000 0.493 378 L N -0.035 121.008 121.223 -0.301 0.000 2.509 378 L HA 0.139 4.475 4.340 -0.005 0.000 0.222 378 L C 0.116 176.349 176.870 -1.063 0.000 1.123 378 L CA 0.295 54.732 54.840 -0.672 0.000 0.856 378 L CB 0.212 41.762 42.059 -0.848 0.000 0.985 378 L HN 0.041 nan 8.230 nan 0.000 0.456 379 F N -0.055 119.796 119.950 -0.166 0.000 2.710 379 F HA 0.303 4.827 4.527 -0.005 0.000 0.345 379 F C -1.665 174.029 175.800 -0.177 0.000 1.362 379 F CA -1.440 56.413 58.000 -0.246 0.000 1.175 379 F CB 0.576 39.414 39.000 -0.271 0.000 1.561 379 F HN -0.195 nan 8.300 nan 0.000 0.593 380 P HA -0.209 nan 4.420 nan 0.000 0.221 380 P C 1.396 178.625 177.300 -0.119 0.000 1.150 380 P CA 1.279 64.317 63.100 -0.102 0.000 0.800 380 P CB 0.261 31.881 31.700 -0.133 0.000 0.787 381 Q N -0.198 119.567 119.800 -0.058 0.000 2.226 381 Q HA -0.184 4.153 4.340 -0.005 0.000 0.204 381 Q C 1.822 178.060 176.000 0.396 0.000 0.975 381 Q CA 1.506 57.362 55.803 0.088 0.000 0.866 381 Q CB -1.481 27.282 28.738 0.043 0.000 0.915 381 Q HN 0.428 nan 8.270 nan 0.000 0.440 382 Y N 0.101 120.575 120.300 0.290 0.000 2.516 382 Y HA -0.053 4.494 4.550 -0.005 0.000 0.291 382 Y C 0.049 176.163 175.900 0.357 0.000 1.131 382 Y CA 0.108 58.389 58.100 0.302 0.000 1.281 382 Y CB 0.011 38.608 38.460 0.229 0.000 1.013 382 Y HN 0.299 nan 8.280 nan 0.000 0.554 383 H N -0.793 118.426 119.070 0.249 0.000 2.839 383 H HA -0.150 4.404 4.556 -0.004 0.000 0.298 383 H C -0.357 175.068 175.328 0.163 0.000 1.224 383 H CA -0.012 56.133 56.048 0.161 0.000 1.144 383 H CB -2.244 27.592 29.762 0.124 0.000 1.372 383 H HN 0.225 nan 8.280 nan 0.000 0.408 384 L N 0.164 121.552 121.223 0.275 0.000 2.467 384 L HA 0.180 4.517 4.340 -0.005 0.000 0.270 384 L C 1.057 178.045 176.870 0.196 0.000 1.205 384 L CA 0.462 55.462 54.840 0.267 0.000 0.828 384 L CB 0.582 42.859 42.059 0.364 0.000 1.101 384 L HN 0.399 nan 8.230 nan 0.000 0.479 385 E N 0.724 121.035 120.200 0.185 0.000 2.185 385 E HA 0.350 4.696 4.350 -0.005 0.000 0.261 385 E C 0.295 177.012 176.600 0.194 0.000 0.879 385 E CA -0.468 56.016 56.400 0.139 0.000 0.756 385 E CB 1.809 31.561 29.700 0.086 0.000 1.152 385 E HN 0.695 nan 8.360 nan 0.000 0.416 386 A N 3.618 126.563 122.820 0.209 0.000 2.084 386 A HA -0.145 4.172 4.320 -0.005 0.000 0.221 386 A C 1.843 179.579 177.584 0.253 0.000 1.161 386 A CA 1.706 53.917 52.037 0.290 0.000 0.653 386 A CB -0.602 18.500 19.000 0.170 0.000 0.802 386 A HN 0.751 nan 8.150 nan 0.000 0.457 387 G N -0.741 108.144 108.800 0.142 0.000 2.535 387 G HA2 -0.094 3.863 3.960 -0.005 0.000 0.218 387 G HA3 -0.094 3.863 3.960 -0.005 0.000 0.218 387 G C 1.497 176.430 174.900 0.055 0.000 1.122 387 G CA 1.713 46.869 45.100 0.094 0.000 0.769 387 G HN 0.675 nan 8.290 nan 0.000 0.549 388 T N -1.948 112.610 114.554 0.007 0.000 2.976 388 T HA 0.076 4.422 4.350 -0.005 0.000 0.257 388 T C 2.022 176.666 174.700 -0.093 0.000 1.051 388 T CA 0.272 62.311 62.100 -0.102 0.000 1.141 388 T CB -0.402 68.336 68.868 -0.217 0.000 0.881 388 T HN 0.158 nan 8.240 nan 0.000 0.461 389 F N 2.280 122.319 119.950 0.148 0.000 2.234 389 F HA 0.217 4.740 4.527 -0.006 0.000 0.299 389 F C 2.909 178.770 175.800 0.102 0.000 1.087 389 F CA 0.613 58.675 58.000 0.105 0.000 1.340 389 F CB -0.594 38.461 39.000 0.091 0.000 1.031 389 F HN 0.252 nan 8.300 nan 0.000 0.500 390 A N 0.433 123.390 122.820 0.228 0.000 1.858 390 A HA -0.156 4.161 4.320 -0.005 0.000 0.216 390 A C 2.056 179.695 177.584 0.091 0.000 1.190 390 A CA 1.718 53.851 52.037 0.160 0.000 0.617 390 A CB -0.963 18.118 19.000 0.136 0.000 0.827 390 A HN 0.239 nan 8.150 nan 0.000 0.443 391 I N 0.183 120.782 120.570 0.049 0.000 2.286 391 I HA -0.204 3.963 4.170 -0.005 0.000 0.248 391 I C 2.792 178.895 176.117 -0.023 0.000 1.115 391 I CA 1.283 62.580 61.300 -0.004 0.000 1.392 391 I CB -0.448 37.532 38.000 -0.033 0.000 1.065 391 I HN 0.317 nan 8.210 nan 0.000 0.418 392 A N -0.059 122.774 122.820 0.020 0.000 2.015 392 A HA -0.001 4.315 4.320 -0.005 0.000 0.219 392 A C 2.417 179.979 177.584 -0.036 0.000 1.163 392 A CA 1.572 53.621 52.037 0.020 0.000 0.646 392 A CB -1.240 17.883 19.000 0.205 0.000 0.806 392 A HN 0.437 nan 8.150 nan 0.000 0.448 393 G N -1.231 107.577 108.800 0.014 0.000 2.551 393 G HA2 -0.022 3.935 3.960 -0.005 0.000 0.216 393 G HA3 -0.022 3.935 3.960 -0.005 0.000 0.216 393 G C 1.485 176.240 174.900 -0.242 0.000 1.137 393 G CA 0.746 45.809 45.100 -0.062 0.000 0.798 393 G HN 0.446 nan 8.290 nan 0.000 0.536 394 M N 1.044 120.576 119.600 -0.114 0.000 2.073 394 M HA -0.037 4.440 4.480 -0.005 0.000 0.258 394 M C 2.130 178.298 176.300 -0.220 0.000 1.070 394 M CA 1.978 57.210 55.300 -0.113 0.000 1.103 394 M CB -0.152 32.407 32.600 -0.068 0.000 1.321 394 M HN 0.184 nan 8.290 nan 0.000 0.405 395 G N -1.449 107.197 108.800 -0.257 0.000 3.448 395 G HA2 0.405 4.362 3.960 -0.005 0.000 0.261 395 G HA3 0.405 4.362 3.960 -0.005 0.000 0.261 395 G C 0.972 175.635 174.900 -0.396 0.000 1.173 395 G CA 0.443 45.362 45.100 -0.302 0.000 0.835 395 G HN 0.595 nan 8.290 nan 0.000 0.534 396 A N 0.154 122.616 122.820 -0.596 0.000 1.935 396 A HA 0.234 4.551 4.320 -0.005 0.000 0.214 396 A C 2.077 179.197 177.584 -0.774 0.000 1.178 396 A CA 0.419 51.959 52.037 -0.829 0.000 0.640 396 A CB -0.208 17.889 19.000 -1.506 0.000 0.825 396 A HN 0.363 nan 8.150 nan 0.000 0.447 397 L N -0.312 120.484 121.223 -0.713 0.000 2.141 397 L HA -0.038 4.299 4.340 -0.005 0.000 0.209 397 L C 2.202 178.894 176.870 -0.296 0.000 1.094 397 L CA 1.164 55.823 54.840 -0.301 0.000 0.763 397 L CB -0.369 41.599 42.059 -0.151 0.000 0.908 397 L HN 0.411 nan 8.230 nan 0.000 0.437 398 L N -0.655 120.340 121.223 -0.380 0.000 2.275 398 L HA -0.141 4.195 4.340 -0.005 0.000 0.215 398 L C 2.638 179.307 176.870 -0.335 0.000 1.119 398 L CA 0.830 55.411 54.840 -0.433 0.000 0.790 398 L CB -0.449 41.285 42.059 -0.542 0.000 0.919 398 L HN 0.253 nan 8.230 nan 0.000 0.443 399 A N -0.433 122.214 122.820 -0.288 0.000 1.930 399 A HA 0.062 4.379 4.320 -0.005 0.000 0.215 399 A C 2.311 179.797 177.584 -0.162 0.000 1.176 399 A CA 1.322 53.231 52.037 -0.215 0.000 0.632 399 A CB -0.271 18.603 19.000 -0.210 0.000 0.819 399 A HN 0.355 nan 8.150 nan 0.000 0.445 400 A N -1.786 120.951 122.820 -0.138 0.000 2.169 400 A HA 0.332 4.649 4.320 -0.005 0.000 0.210 400 A C 2.098 179.638 177.584 -0.074 0.000 1.168 400 A CA 1.288 53.285 52.037 -0.068 0.000 0.813 400 A CB -0.068 18.950 19.000 0.030 0.000 0.861 400 A HN 0.348 nan 8.150 nan 0.000 0.481 401 S N -0.839 114.795 115.700 -0.110 0.000 2.506 401 S HA 0.142 4.609 4.470 -0.005 0.000 0.230 401 S C 1.561 176.073 174.600 -0.147 0.000 1.066 401 S CA 0.435 58.586 58.200 -0.083 0.000 0.940 401 S CB -0.118 63.060 63.200 -0.037 0.000 0.818 401 S HN 0.354 nan 8.310 nan 0.000 0.518 402 I N 1.439 121.849 120.570 -0.267 0.000 2.480 402 I HA 0.203 4.369 4.170 -0.005 0.000 0.251 402 I C 0.519 176.462 176.117 -0.289 0.000 1.124 402 I CA 0.697 61.743 61.300 -0.423 0.000 1.444 402 I CB -0.085 37.562 38.000 -0.588 0.000 1.098 402 I HN 0.087 nan 8.210 nan 0.000 0.428 403 R N -0.178 120.193 120.500 -0.214 0.000 3.654 403 R HA -0.133 4.204 4.340 -0.005 0.000 0.302 403 R C 0.009 176.227 176.300 -0.136 0.000 1.166 403 R CA 0.783 56.792 56.100 -0.151 0.000 0.810 403 R CB -2.859 27.373 30.300 -0.113 0.000 1.323 403 R HN 0.350 nan 8.270 nan 0.000 0.478 404 A N 0.341 123.070 122.820 -0.151 0.000 3.248 404 A HA 0.451 4.767 4.320 -0.005 0.000 0.315 404 A C -0.851 176.683 177.584 -0.083 0.000 0.974 404 A CA -0.902 51.085 52.037 -0.084 0.000 0.939 404 A CB 0.682 19.671 19.000 -0.017 0.000 1.061 404 A HN -0.015 nan 8.150 nan 0.000 0.481 405 P HA -0.207 nan 4.420 nan 0.000 0.215 405 P C 1.587 178.844 177.300 -0.071 0.000 1.157 405 P CA 0.810 63.849 63.100 -0.102 0.000 0.868 405 P CB 0.233 31.875 31.700 -0.097 0.000 0.788 406 L N 0.042 121.238 121.223 -0.045 0.000 2.013 406 L HA -0.131 4.206 4.340 -0.005 0.000 0.212 406 L C 2.434 179.299 176.870 -0.008 0.000 1.073 406 L CA 2.246 57.071 54.840 -0.025 0.000 0.753 406 L CB -1.924 40.127 42.059 -0.014 0.000 0.890 406 L HN -0.021 nan 8.230 nan 0.000 0.432 407 T N -0.855 113.712 114.554 0.021 0.000 2.777 407 T HA -0.088 4.259 4.350 -0.005 0.000 0.266 407 T C 1.661 176.371 174.700 0.017 0.000 1.040 407 T CA 1.210 63.351 62.100 0.068 0.000 1.141 407 T CB -0.689 68.301 68.868 0.203 0.000 0.868 407 T HN 0.582 nan 8.240 nan 0.000 0.444 408 G N 1.780 110.555 108.800 -0.042 0.000 2.421 408 G HA2 -0.151 3.805 3.960 -0.005 0.000 0.216 408 G HA3 -0.151 3.805 3.960 -0.005 0.000 0.216 408 G C 1.487 176.317 174.900 -0.116 0.000 1.171 408 G CA 0.400 45.428 45.100 -0.120 0.000 0.775 408 G HN 0.353 nan 8.290 nan 0.000 0.543 409 I N 1.219 121.731 120.570 -0.096 0.000 2.127 409 I HA -0.137 4.029 4.170 -0.005 0.000 0.241 409 I C 2.841 178.921 176.117 -0.062 0.000 1.075 409 I CA 1.072 62.322 61.300 -0.084 0.000 1.334 409 I CB -0.916 37.044 38.000 -0.067 0.000 1.040 409 I HN 0.177 nan 8.210 nan 0.000 0.405 410 I N 0.079 120.624 120.570 -0.042 0.000 2.286 410 I HA -0.296 3.871 4.170 -0.005 0.000 0.248 410 I C 2.560 178.646 176.117 -0.052 0.000 1.115 410 I CA 0.936 62.215 61.300 -0.034 0.000 1.392 410 I CB -0.326 37.661 38.000 -0.020 0.000 1.065 410 I HN 0.225 nan 8.210 nan 0.000 0.418 411 L N 0.830 122.014 121.223 -0.065 0.000 2.012 411 L HA -0.187 4.150 4.340 -0.005 0.000 0.210 411 L C 2.412 179.200 176.870 -0.137 0.000 1.073 411 L CA 1.886 56.663 54.840 -0.105 0.000 0.748 411 L CB -0.664 41.316 42.059 -0.131 0.000 0.891 411 L HN -0.044 nan 8.230 nan 0.000 0.431 412 V N -0.358 119.476 119.914 -0.134 0.000 2.295 412 V HA -0.270 3.847 4.120 -0.005 0.000 0.246 412 V C 2.529 178.570 176.094 -0.089 0.000 1.049 412 V CA 1.746 63.970 62.300 -0.127 0.000 1.024 412 V CB -0.820 30.930 31.823 -0.121 0.000 0.648 412 V HN 0.573 nan 8.190 nan 0.000 0.447 413 L N 0.389 121.576 121.223 -0.060 0.000 2.127 413 L HA -0.157 4.180 4.340 -0.005 0.000 0.211 413 L C 2.213 179.062 176.870 -0.035 0.000 1.089 413 L CA 1.888 56.714 54.840 -0.025 0.000 0.757 413 L CB -0.797 41.270 42.059 0.013 0.000 0.899 413 L HN 0.401 nan 8.230 nan 0.000 0.434 414 E N -1.262 118.906 120.200 -0.054 0.000 2.358 414 E HA -0.093 4.253 4.350 -0.005 0.000 0.195 414 E C 1.917 178.482 176.600 -0.058 0.000 1.010 414 E CA 0.965 57.333 56.400 -0.052 0.000 0.856 414 E CB 0.004 29.671 29.700 -0.054 0.000 0.795 414 E HN 0.600 nan 8.360 nan 0.000 0.504 415 M N -0.580 118.970 119.600 -0.082 0.000 2.571 415 M HA 0.004 4.481 4.480 -0.005 0.000 0.259 415 M C 2.142 178.389 176.300 -0.088 0.000 1.205 415 M CA 0.916 56.156 55.300 -0.101 0.000 1.138 415 M CB 0.500 32.999 32.600 -0.167 0.000 1.329 415 M HN 0.046 nan 8.290 nan 0.000 0.503 416 T N -4.291 110.219 114.554 -0.074 0.000 2.990 416 T HA 0.045 4.392 4.350 -0.005 0.000 0.250 416 T C 0.673 175.353 174.700 -0.032 0.000 1.041 416 T CA 0.093 62.160 62.100 -0.056 0.000 1.010 416 T CB 0.027 68.860 68.868 -0.058 0.000 1.003 416 T HN 0.263 nan 8.240 nan 0.000 0.499 417 D N 2.081 122.468 120.400 -0.022 0.000 2.692 417 D HA -0.179 4.458 4.640 -0.005 0.000 0.233 417 D C -0.651 175.657 176.300 0.013 0.000 1.172 417 D CA 0.460 54.460 54.000 0.000 0.000 0.636 417 D CB -1.989 38.809 40.800 -0.003 0.000 1.028 417 D HN 0.700 nan 8.370 nan 0.000 0.419 418 N N 0.685 119.390 118.700 0.009 0.000 2.914 418 N HA 0.004 4.741 4.740 -0.005 0.000 0.304 418 N C 0.641 176.151 175.510 -0.000 0.000 1.727 418 N CA -0.474 52.573 53.050 -0.005 0.000 0.986 418 N CB 0.264 38.726 38.487 -0.040 0.000 1.297 418 N HN 0.183 nan 8.380 nan 0.000 0.490 419 Y N 2.291 122.553 120.300 -0.063 0.000 2.348 419 Y HA -0.280 4.267 4.550 -0.005 0.000 0.285 419 Y C 1.966 177.819 175.900 -0.079 0.000 1.173 419 Y CA 1.888 59.948 58.100 -0.068 0.000 1.263 419 Y CB 0.099 38.527 38.460 -0.053 0.000 0.974 419 Y HN 0.382 nan 8.280 nan 0.000 0.547 420 Q N -0.354 119.292 119.800 -0.256 0.000 2.500 420 Q HA -0.014 4.323 4.340 -0.005 0.000 0.213 420 Q C 1.177 176.972 176.000 -0.342 0.000 0.974 420 Q CA 1.453 57.057 55.803 -0.332 0.000 0.918 420 Q CB -0.550 28.085 28.738 -0.172 0.000 0.980 420 Q HN 0.550 nan 8.270 nan 0.000 0.505 421 L N -0.381 120.658 121.223 -0.307 0.000 2.700 421 L HA 0.213 4.550 4.340 -0.005 0.000 0.234 421 L C 1.201 177.876 176.870 -0.325 0.000 1.156 421 L CA -0.308 54.344 54.840 -0.312 0.000 0.946 421 L CB 0.096 42.009 42.059 -0.242 0.000 1.216 421 L HN 0.184 nan 8.230 nan 0.000 0.493 422 I N 0.093 120.439 120.570 -0.373 0.000 2.264 422 I HA -0.291 3.876 4.170 -0.005 0.000 0.248 422 I C 2.066 178.039 176.117 -0.240 0.000 1.111 422 I CA 1.578 62.713 61.300 -0.275 0.000 1.382 422 I CB 0.089 37.886 38.000 -0.338 0.000 1.060 422 I HN 0.207 nan 8.210 nan 0.000 0.418 423 L N 0.830 121.879 121.223 -0.291 0.000 2.023 423 L HA -0.009 4.328 4.340 -0.005 0.000 0.205 423 L C -0.515 176.183 176.870 -0.286 0.000 1.073 423 L CA 1.998 56.696 54.840 -0.238 0.000 0.745 423 L CB -1.724 40.202 42.059 -0.221 0.000 0.900 423 L HN 0.119 nan 8.230 nan 0.000 0.435 424 P HA -0.198 nan 4.420 nan 0.000 0.215 424 P C 2.032 179.122 177.300 -0.350 0.000 1.157 424 P CA 1.801 64.483 63.100 -0.697 0.000 0.874 424 P CB -0.139 30.643 31.700 -1.529 0.000 0.790 425 M N -1.557 117.873 119.600 -0.283 0.000 2.082 425 M HA -0.191 4.286 4.480 -0.005 0.000 0.258 425 M C 2.215 178.441 176.300 -0.124 0.000 1.069 425 M CA 1.965 57.168 55.300 -0.162 0.000 1.102 425 M CB -1.024 31.489 32.600 -0.145 0.000 1.336 425 M HN -0.076 nan 8.290 nan 0.000 0.404 426 I N 0.221 120.718 120.570 -0.122 0.000 2.252 426 I HA -0.284 3.883 4.170 -0.005 0.000 0.245 426 I C 2.337 178.413 176.117 -0.068 0.000 1.102 426 I CA 1.306 62.555 61.300 -0.086 0.000 1.385 426 I CB -0.345 37.611 38.000 -0.074 0.000 1.064 426 I HN 0.300 nan 8.210 nan 0.000 0.414 427 I N 0.517 121.045 120.570 -0.070 0.000 2.361 427 I HA -0.245 3.922 4.170 -0.005 0.000 0.251 427 I C 2.382 178.501 176.117 0.004 0.000 1.133 427 I CA 1.515 62.801 61.300 -0.023 0.000 1.413 427 I CB -0.732 37.261 38.000 -0.010 0.000 1.073 427 I HN 0.278 nan 8.210 nan 0.000 0.424 428 T N 0.372 114.927 114.554 0.003 0.000 2.904 428 T HA -0.026 4.321 4.350 -0.005 0.000 0.267 428 T C 1.947 176.622 174.700 -0.042 0.000 1.059 428 T CA 1.160 63.268 62.100 0.014 0.000 1.137 428 T CB -0.507 68.382 68.868 0.036 0.000 0.879 428 T HN 0.529 nan 8.240 nan 0.000 0.467 429 G N 1.573 110.327 108.800 -0.077 0.000 2.414 429 G HA2 -0.118 3.838 3.960 -0.005 0.000 0.215 429 G HA3 -0.118 3.838 3.960 -0.005 0.000 0.215 429 G C 1.491 176.349 174.900 -0.070 0.000 1.188 429 G CA 0.543 45.581 45.100 -0.104 0.000 0.783 429 G HN 0.433 nan 8.290 nan 0.000 0.537 430 L N 1.222 122.417 121.223 -0.047 0.000 2.131 430 L HA 0.131 4.468 4.340 -0.005 0.000 0.210 430 L C 2.837 179.702 176.870 -0.010 0.000 1.092 430 L CA 1.943 56.764 54.840 -0.031 0.000 0.759 430 L CB -0.537 41.511 42.059 -0.017 0.000 0.903 430 L HN 0.206 nan 8.230 nan 0.000 0.435 431 G N -1.102 107.702 108.800 0.007 0.000 2.442 431 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.219 431 G HA3 -0.277 3.680 3.960 -0.005 0.000 0.219 431 G C 1.567 176.488 174.900 0.035 0.000 1.141 431 G CA 0.745 45.866 45.100 0.035 0.000 0.763 431 G HN 0.585 nan 8.290 nan 0.000 0.554 432 A N 0.426 123.255 122.820 0.014 0.000 1.872 432 A HA 0.053 4.370 4.320 -0.005 0.000 0.214 432 A C 2.542 180.117 177.584 -0.015 0.000 1.187 432 A CA 2.298 54.348 52.037 0.022 0.000 0.614 432 A CB -0.865 18.127 19.000 -0.013 0.000 0.826 432 A HN 0.282 nan 8.150 nan 0.000 0.442 433 T N 0.254 114.776 114.554 -0.053 0.000 2.881 433 T HA -0.056 4.291 4.350 -0.005 0.000 0.270 433 T C 1.763 176.393 174.700 -0.117 0.000 1.068 433 T CA 1.332 63.380 62.100 -0.086 0.000 1.131 433 T CB -0.274 68.537 68.868 -0.095 0.000 0.871 433 T HN 0.264 nan 8.240 nan 0.000 0.479 434 L N 0.222 121.393 121.223 -0.087 0.000 2.023 434 L HA 0.082 4.419 4.340 -0.005 0.000 0.205 434 L C 2.278 179.099 176.870 -0.081 0.000 1.073 434 L CA 0.940 55.701 54.840 -0.131 0.000 0.745 434 L CB -0.274 41.798 42.059 0.022 0.000 0.900 434 L HN 0.202 nan 8.230 nan 0.000 0.435 435 L N -0.657 120.593 121.223 0.045 0.000 2.551 435 L HA -0.054 4.283 4.340 -0.005 0.000 0.228 435 L C 2.352 179.250 176.870 0.047 0.000 1.153 435 L CA 1.112 56.014 54.840 0.103 0.000 0.851 435 L CB -1.025 41.097 42.059 0.105 0.000 0.959 435 L HN 0.272 nan 8.230 nan 0.000 0.451 436 A N -1.084 121.726 122.820 -0.016 0.000 2.030 436 A HA -0.134 4.183 4.320 -0.005 0.000 0.215 436 A C 2.211 179.758 177.584 -0.062 0.000 1.164 436 A CA 0.494 52.514 52.037 -0.029 0.000 0.697 436 A CB -0.064 18.910 19.000 -0.043 0.000 0.827 436 A HN 0.400 nan 8.150 nan 0.000 0.457 437 Q N -1.110 118.599 119.800 -0.151 0.000 2.033 437 Q HA -0.081 4.256 4.340 -0.005 0.000 0.196 437 Q C 1.079 176.990 176.000 -0.148 0.000 0.970 437 Q CA 1.296 56.957 55.803 -0.237 0.000 0.828 437 Q CB -0.155 28.288 28.738 -0.492 0.000 0.895 437 Q HN 0.554 nan 8.270 nan 0.000 0.440 438 F N 0.608 120.565 119.950 0.010 0.000 2.771 438 F HA -0.012 4.512 4.527 -0.006 0.000 0.299 438 F C 1.809 177.616 175.800 0.011 0.000 1.177 438 F CA 1.225 59.232 58.000 0.012 0.000 1.450 438 F CB -0.110 38.899 39.000 0.014 0.000 1.114 438 F HN 0.187 nan 8.300 nan 0.000 0.587 439 T N -3.922 110.720 114.554 0.147 0.000 3.129 439 T HA 0.445 4.792 4.350 -0.005 0.000 0.267 439 T C 1.269 176.001 174.700 0.053 0.000 1.018 439 T CA 0.154 62.310 62.100 0.092 0.000 0.903 439 T CB 0.057 68.964 68.868 0.065 0.000 1.067 439 T HN 0.322 nan 8.240 nan 0.000 0.549 440 G N 0.542 109.373 108.800 0.051 0.000 2.324 440 G HA2 0.085 4.042 3.960 -0.005 0.000 0.292 440 G HA3 0.085 4.042 3.960 -0.005 0.000 0.292 440 G C 0.230 175.135 174.900 0.009 0.000 1.079 440 G CA -0.353 44.765 45.100 0.031 0.000 1.026 440 G HN 1.032 nan 8.290 nan 0.000 0.506 441 G N -0.424 108.371 108.800 -0.008 0.000 2.417 441 G HA2 0.707 4.663 3.960 -0.005 0.000 0.334 441 G HA3 0.707 4.663 3.960 -0.005 0.000 0.334 441 G C -0.005 174.890 174.900 -0.009 0.000 1.150 441 G CA -0.807 44.284 45.100 -0.015 0.000 0.923 441 G HN 0.414 nan 8.290 nan 0.000 0.485 442 K N 1.021 121.425 120.400 0.006 0.000 2.211 442 K HA 0.393 4.710 4.320 -0.005 0.000 0.237 442 K C -2.761 173.851 176.600 0.019 0.000 1.002 442 K CA -1.843 54.456 56.287 0.020 0.000 0.885 442 K CB 1.803 34.330 32.500 0.045 0.000 1.136 442 K HN 0.120 nan 8.250 nan 0.000 0.448 443 P HA 0.011 nan 4.420 nan 0.000 0.264 443 P C 0.854 178.199 177.300 0.074 0.000 1.229 443 P CA -0.082 63.022 63.100 0.007 0.000 0.780 443 P CB 0.254 31.965 31.700 0.019 0.000 0.808 444 L N 2.586 123.839 121.223 0.051 0.000 2.563 444 L HA -0.167 4.170 4.340 -0.005 0.000 0.230 444 L C 0.342 177.516 176.870 0.506 0.000 1.162 444 L CA 1.917 56.874 54.840 0.195 0.000 0.812 444 L CB -0.386 41.769 42.059 0.160 0.000 0.935 444 L HN 0.488 nan 8.230 nan 0.000 0.451 445 W N -1.531 119.834 121.300 0.108 0.000 2.699 445 W HA 0.137 4.794 4.660 -0.006 0.000 0.265 445 W C 2.689 179.269 176.519 0.101 0.000 1.210 445 W CA 0.251 57.670 57.345 0.125 0.000 1.414 445 W CB -0.999 28.546 29.460 0.141 0.000 1.043 445 W HN -0.009 nan 8.180 nan 0.000 0.599 446 S N 0.659 116.548 115.700 0.315 0.000 2.402 446 S HA -0.061 4.405 4.470 -0.005 0.000 0.229 446 S C 2.008 176.712 174.600 0.172 0.000 1.021 446 S CA 1.379 59.708 58.200 0.215 0.000 0.974 446 S CB -0.510 62.800 63.200 0.184 0.000 0.800 446 S HN 0.164 nan 8.310 nan 0.000 0.484 447 A N 1.715 124.639 122.820 0.174 0.000 1.855 447 A HA -0.050 4.267 4.320 -0.005 0.000 0.215 447 A C 1.980 179.645 177.584 0.134 0.000 1.191 447 A CA 1.209 53.327 52.037 0.135 0.000 0.613 447 A CB -0.688 18.389 19.000 0.129 0.000 0.829 447 A HN 0.365 nan 8.150 nan 0.000 0.442 448 I N -0.501 120.176 120.570 0.178 0.000 2.163 448 I HA -0.227 3.940 4.170 -0.005 0.000 0.243 448 I C 2.375 178.551 176.117 0.099 0.000 1.085 448 I CA 1.242 62.630 61.300 0.148 0.000 1.347 448 I CB -0.916 37.194 38.000 0.184 0.000 1.044 448 I HN 0.392 nan 8.210 nan 0.000 0.408 449 L N 0.653 121.940 121.223 0.107 0.000 2.046 449 L HA -0.148 4.189 4.340 -0.005 0.000 0.208 449 L C 2.456 179.363 176.870 0.062 0.000 1.077 449 L CA 2.175 57.059 54.840 0.075 0.000 0.747 449 L CB -0.866 41.247 42.059 0.091 0.000 0.896 449 L HN 0.219 nan 8.230 nan 0.000 0.432 450 A N -0.587 122.277 122.820 0.072 0.000 1.933 450 A HA -0.181 4.136 4.320 -0.005 0.000 0.218 450 A C 2.359 179.965 177.584 0.037 0.000 1.175 450 A CA 1.487 53.553 52.037 0.050 0.000 0.628 450 A CB -0.509 18.522 19.000 0.053 0.000 0.814 450 A HN 0.460 nan 8.150 nan 0.000 0.444 451 R N -0.945 119.581 120.500 0.043 0.000 2.075 451 R HA -0.068 4.269 4.340 -0.005 0.000 0.232 451 R C 2.202 178.514 176.300 0.019 0.000 1.126 451 R CA 1.730 57.848 56.100 0.030 0.000 0.963 451 R CB -1.171 29.151 30.300 0.037 0.000 0.858 451 R HN 0.515 nan 8.270 nan 0.000 0.435 452 T N 1.842 116.410 114.554 0.023 0.000 2.746 452 T HA -0.077 4.270 4.350 -0.005 0.000 0.267 452 T C 1.743 176.449 174.700 0.010 0.000 1.039 452 T CA 0.875 62.983 62.100 0.013 0.000 1.142 452 T CB -0.081 68.794 68.868 0.011 0.000 0.866 452 T HN -0.035 nan 8.240 nan 0.000 0.444 453 L N 0.880 122.112 121.223 0.015 0.000 2.201 453 L HA 0.166 4.503 4.340 -0.005 0.000 0.212 453 L C 2.598 179.472 176.870 0.007 0.000 1.105 453 L CA 1.094 55.941 54.840 0.011 0.000 0.775 453 L CB -1.320 40.748 42.059 0.014 0.000 0.913 453 L HN 0.215 nan 8.230 nan 0.000 0.440 454 A N -1.257 121.567 122.820 0.007 0.000 1.874 454 A HA -0.136 4.181 4.320 -0.005 0.000 0.214 454 A C 2.267 179.852 177.584 0.001 0.000 1.189 454 A CA 0.882 52.921 52.037 0.003 0.000 0.615 454 A CB -0.322 18.680 19.000 0.003 0.000 0.830 454 A HN 0.216 nan 8.150 nan 0.000 0.443 455 K N -0.543 119.856 120.400 -0.000 0.000 2.286 455 K HA -0.241 4.076 4.320 -0.005 0.000 0.203 455 K C 2.155 178.754 176.600 -0.002 0.000 1.045 455 K CA 1.779 58.063 56.287 -0.005 0.000 0.935 455 K CB -0.064 32.431 32.500 -0.008 0.000 0.737 455 K HN 0.689 nan 8.250 nan 0.000 0.460 456 Q N 0.701 120.502 119.800 0.001 0.000 2.008 456 Q HA -0.091 4.246 4.340 -0.005 0.000 0.196 456 Q C 1.721 177.723 176.000 0.002 0.000 0.973 456 Q CA 1.206 57.010 55.803 0.002 0.000 0.826 456 Q CB 0.226 28.965 28.738 0.003 0.000 0.894 456 Q HN 0.240 nan 8.270 nan 0.000 0.439 457 E N 0.094 120.295 120.200 0.002 0.000 2.031 457 E HA -0.191 4.155 4.350 -0.005 0.000 0.193 457 E C 1.906 178.506 176.600 0.001 0.000 0.994 457 E CA 0.856 57.257 56.400 0.002 0.000 0.800 457 E CB -0.255 29.446 29.700 0.001 0.000 0.752 457 E HN 0.470 nan 8.360 nan 0.000 0.447 458 A N 1.685 124.506 122.820 0.000 0.000 2.159 458 A HA -0.222 4.095 4.320 -0.005 0.000 0.222 458 A C 0.913 178.498 177.584 0.001 0.000 1.163 458 A CA 1.606 53.642 52.037 -0.000 0.000 0.664 458 A CB -0.653 18.346 19.000 -0.002 0.000 0.803 458 A HN 0.376 nan 8.150 nan 0.000 0.470 459 E N -0.950 119.251 120.200 0.002 0.000 2.916 459 E HA 0.623 4.970 4.350 -0.005 0.000 0.217 459 E C -0.460 176.143 176.600 0.005 0.000 1.100 459 E CA -0.484 55.919 56.400 0.004 0.000 0.891 459 E CB 0.340 30.043 29.700 0.006 0.000 1.311 459 E HN 0.451 nan 8.360 nan 0.000 0.421 460 Q N 0.000 119.802 119.800 0.004 0.000 2.315 460 Q HA 0.000 4.337 4.340 -0.005 0.000 0.214 460 Q CA 0.000 55.805 55.803 0.004 0.000 1.022 460 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481