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 2fed_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 ILFIIEQMRP QFRYTLISIK DATA SEQUENCE AVFIGVIMST IMYRIFNHEV ALIDVGKLSD APLNTLWLYL ILGIIFGIFG DATA SEQUENCE PIFNKWVLGM QDLLHRVHGG NITKWVLMGG AIGGLCGLLG FVAPATSGGG DATA SEQUENCE FNLIPIATAG NFSMGMLVFI FVARVITTLL CFSSGAPGGI FAPMLALGTV DATA SEQUENCE LGTAFGMVAV ELFPQYHLEA GTFAIAGMGA LLAASIRAPL TGIILVLEMT DATA SEQUENCE DNYQLILPMI ITGLGATLLA QFTGGKPLYS AILARTLAKQ EAEQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.288 176.300 -0.019 0.000 0.893 17 R CA 0.000 56.088 56.100 -0.019 0.000 0.921 17 R CB 0.000 30.289 30.300 -0.019 0.000 0.687 18 R N 1.324 121.815 120.500 -0.015 0.000 2.087 18 R HA 0.252 4.591 4.340 -0.001 0.000 0.213 18 R C 1.951 178.243 176.300 -0.013 0.000 1.137 18 R CA 0.756 56.848 56.100 -0.014 0.000 1.022 18 R CB 0.208 30.501 30.300 -0.011 0.000 0.920 18 R HN 0.092 nan 8.270 nan 0.000 0.451 19 R N 0.420 120.913 120.500 -0.011 0.000 2.148 19 R HA -0.038 4.301 4.340 -0.001 0.000 0.223 19 R C 2.204 178.498 176.300 -0.011 0.000 1.088 19 R CA 1.163 57.257 56.100 -0.010 0.000 0.985 19 R CB 0.089 30.384 30.300 -0.008 0.000 0.880 19 R HN 0.255 nan 8.270 nan 0.000 0.451 20 Q N -0.157 119.635 119.800 -0.014 0.000 2.172 20 Q HA -0.120 4.219 4.340 -0.001 0.000 0.200 20 Q C 1.737 177.725 176.000 -0.019 0.000 0.964 20 Q CA 0.906 56.699 55.803 -0.015 0.000 0.855 20 Q CB 0.161 28.888 28.738 -0.018 0.000 0.918 20 Q HN 0.279 nan 8.270 nan 0.000 0.444 21 L N 0.419 121.628 121.223 -0.022 0.000 2.156 21 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 21 L C 1.952 178.810 176.870 -0.020 0.000 1.095 21 L CA 1.117 55.942 54.840 -0.026 0.000 0.770 21 L CB -0.107 41.935 42.059 -0.028 0.000 0.914 21 L HN 0.228 nan 8.230 nan 0.000 0.439 22 I N -1.117 119.443 120.570 -0.016 0.000 2.286 22 I HA -0.278 3.891 4.170 -0.001 0.000 0.248 22 I C 2.576 178.687 176.117 -0.011 0.000 1.115 22 I CA 0.968 62.260 61.300 -0.012 0.000 1.392 22 I CB -0.287 37.707 38.000 -0.010 0.000 1.065 22 I HN 0.201 nan 8.210 nan 0.000 0.418 23 R N 1.061 121.555 120.500 -0.010 0.000 2.115 23 R HA -0.132 4.207 4.340 -0.001 0.000 0.230 23 R C 2.134 178.430 176.300 -0.007 0.000 1.111 23 R CA 1.569 57.664 56.100 -0.007 0.000 0.976 23 R CB -0.301 29.996 30.300 -0.006 0.000 0.870 23 R HN 0.401 nan 8.270 nan 0.000 0.445 24 Q N -0.362 119.432 119.800 -0.011 0.000 2.049 24 Q HA -0.030 4.309 4.340 -0.001 0.000 0.198 24 Q C 2.118 178.112 176.000 -0.010 0.000 0.971 24 Q CA 1.460 57.256 55.803 -0.011 0.000 0.833 24 Q CB -0.041 28.682 28.738 -0.024 0.000 0.896 24 Q HN 0.330 nan 8.270 nan 0.000 0.434 25 L N 0.414 121.629 121.223 -0.013 0.000 2.083 25 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 25 L C 2.195 179.059 176.870 -0.009 0.000 1.083 25 L CA 0.914 55.746 54.840 -0.013 0.000 0.752 25 L CB -0.269 41.781 42.059 -0.015 0.000 0.899 25 L HN 0.247 nan 8.230 nan 0.000 0.433 26 L N -0.801 120.417 121.223 -0.008 0.000 2.291 26 L HA -0.080 4.259 4.340 -0.001 0.000 0.214 26 L C 1.276 178.143 176.870 -0.005 0.000 1.120 26 L CA 0.587 55.423 54.840 -0.007 0.000 0.799 26 L CB -0.076 41.980 42.059 -0.007 0.000 0.925 26 L HN 0.200 nan 8.230 nan 0.000 0.446 27 E N 0.610 120.809 120.200 -0.002 0.000 2.542 27 E HA 0.146 4.496 4.350 -0.001 0.000 0.224 27 E C -0.179 176.425 176.600 0.006 0.000 1.110 27 E CA -0.041 56.360 56.400 0.002 0.000 1.350 27 E CB 0.321 30.024 29.700 0.006 0.000 1.302 27 E HN 0.258 nan 8.360 nan 0.000 0.435 28 R N 0.920 121.421 120.500 0.002 0.000 2.540 28 R HA 0.137 4.476 4.340 -0.001 0.000 0.287 28 R C -0.130 176.168 176.300 -0.003 0.000 0.980 28 R CA -0.098 56.005 56.100 0.004 0.000 0.966 28 R CB 0.630 30.929 30.300 -0.002 0.000 1.106 28 R HN -0.098 nan 8.270 nan 0.000 0.480 29 D N 1.364 121.762 120.400 -0.002 0.000 3.076 29 D HA -0.158 4.481 4.640 -0.001 0.000 0.218 29 D C -1.146 175.147 176.300 -0.011 0.000 1.156 29 D CA 1.232 55.223 54.000 -0.015 0.000 0.921 29 D CB -0.468 40.315 40.800 -0.028 0.000 1.113 29 D HN 0.560 nan 8.370 nan 0.000 0.418 30 K N 0.830 121.229 120.400 -0.002 0.000 2.231 30 K HA 0.342 4.661 4.320 -0.001 0.000 0.275 30 K C -0.469 176.133 176.600 0.002 0.000 1.105 30 K CA -0.100 56.187 56.287 -0.001 0.000 0.931 30 K CB 1.037 33.539 32.500 0.003 0.000 1.296 30 K HN 0.044 nan 8.250 nan 0.000 0.446 31 T N 4.304 118.858 114.554 -0.001 0.000 2.771 31 T HA 0.277 4.626 4.350 -0.001 0.000 0.281 31 T C -2.326 172.376 174.700 0.003 0.000 0.982 31 T CA -1.776 60.324 62.100 0.001 0.000 0.978 31 T CB 1.225 70.092 68.868 -0.002 0.000 0.930 31 T HN 0.260 nan 8.240 nan 0.000 0.447 32 P HA 0.107 nan 4.420 nan 0.000 0.264 32 P C 1.092 178.398 177.300 0.009 0.000 1.193 32 P CA -0.342 62.760 63.100 0.004 0.000 0.763 32 P CB 0.522 32.225 31.700 0.004 0.000 0.810 33 L N 3.482 124.708 121.223 0.005 0.000 2.089 33 L HA -0.298 4.042 4.340 -0.001 0.000 0.213 33 L C 1.978 178.868 176.870 0.034 0.000 1.079 33 L CA 2.260 57.107 54.840 0.012 0.000 0.758 33 L CB -0.598 41.454 42.059 -0.012 0.000 0.891 33 L HN 0.445 nan 8.230 nan 0.000 0.433 34 A N 0.252 123.084 122.820 0.020 0.000 1.902 34 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 34 A C 2.147 179.761 177.584 0.051 0.000 1.181 34 A CA 2.067 54.126 52.037 0.036 0.000 0.623 34 A CB -0.851 18.157 19.000 0.013 0.000 0.818 34 A HN 0.556 nan 8.150 nan 0.000 0.443 35 I N -0.348 120.237 120.570 0.025 0.000 2.163 35 I HA -0.284 3.885 4.170 -0.001 0.000 0.243 35 I C 2.394 178.517 176.117 0.011 0.000 1.085 35 I CA 1.289 62.595 61.300 0.009 0.000 1.347 35 I CB -0.415 37.587 38.000 0.004 0.000 1.044 35 I HN 0.299 nan 8.210 nan 0.000 0.408 36 L N -0.411 120.832 121.223 0.034 0.000 2.046 36 L HA -0.231 4.108 4.340 -0.001 0.000 0.208 36 L C 2.578 179.480 176.870 0.052 0.000 1.077 36 L CA 1.336 56.199 54.840 0.039 0.000 0.747 36 L CB -0.622 41.466 42.059 0.048 0.000 0.896 36 L HN 0.207 nan 8.230 nan 0.000 0.432 37 F N -0.057 119.853 119.950 -0.067 0.000 2.186 37 F HA -0.191 4.335 4.527 -0.001 0.000 0.299 37 F C 2.398 178.122 175.800 -0.126 0.000 1.090 37 F CA 1.279 59.225 58.000 -0.089 0.000 1.307 37 F CB -0.008 38.933 39.000 -0.099 0.000 1.019 37 F HN -0.022 nan 8.300 nan 0.000 0.489 38 M N 0.015 119.517 119.600 -0.164 0.000 2.419 38 M HA 0.073 4.552 4.480 -0.001 0.000 0.264 38 M C 2.396 178.559 176.300 -0.228 0.000 1.082 38 M CA 1.119 56.246 55.300 -0.287 0.000 1.119 38 M CB -1.772 30.717 32.600 -0.185 0.000 1.398 38 M HN 0.287 nan 8.290 nan 0.000 0.453 39 A N 0.013 122.746 122.820 -0.144 0.000 1.930 39 A HA 0.082 4.401 4.320 -0.001 0.000 0.217 39 A C 2.390 179.894 177.584 -0.133 0.000 1.175 39 A CA 1.710 53.684 52.037 -0.104 0.000 0.627 39 A CB -0.680 18.293 19.000 -0.045 0.000 0.815 39 A HN 0.431 nan 8.150 nan 0.000 0.443 40 A N -0.853 121.857 122.820 -0.184 0.000 1.898 40 A HA 0.014 4.333 4.320 -0.001 0.000 0.216 40 A C 2.254 179.694 177.584 -0.240 0.000 1.181 40 A CA 1.632 53.554 52.037 -0.192 0.000 0.620 40 A CB -0.903 17.971 19.000 -0.210 0.000 0.819 40 A HN 0.545 nan 8.150 nan 0.000 0.442 41 V N -0.312 119.385 119.914 -0.362 0.000 2.548 41 V HA -0.158 3.961 4.120 -0.001 0.000 0.249 41 V C 2.464 178.443 176.094 -0.192 0.000 1.055 41 V CA 1.839 63.949 62.300 -0.317 0.000 1.065 41 V CB -0.219 31.338 31.823 -0.444 0.000 0.681 41 V HN 0.347 nan 8.190 nan 0.000 0.462 42 V N 0.697 120.507 119.914 -0.173 0.000 2.233 42 V HA -0.196 3.923 4.120 -0.001 0.000 0.247 42 V C 2.694 178.730 176.094 -0.098 0.000 1.050 42 V CA 2.331 64.559 62.300 -0.120 0.000 1.010 42 V CB -1.630 30.131 31.823 -0.103 0.000 0.637 42 V HN 0.601 nan 8.190 nan 0.000 0.444 43 G N 0.013 108.758 108.800 -0.091 0.000 2.553 43 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.218 43 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.218 43 G C 1.664 176.528 174.900 -0.059 0.000 1.195 43 G CA 2.007 47.066 45.100 -0.068 0.000 0.779 43 G HN 0.505 nan 8.290 nan 0.000 0.577 44 T N 1.620 116.134 114.554 -0.067 0.000 2.624 44 T HA -0.167 4.182 4.350 -0.001 0.000 0.268 44 T C 2.412 177.083 174.700 -0.049 0.000 1.041 44 T CA 1.451 63.522 62.100 -0.048 0.000 1.159 44 T CB -0.410 68.421 68.868 -0.061 0.000 0.863 44 T HN 0.194 nan 8.240 nan 0.000 0.434 45 L N 0.680 121.861 121.223 -0.069 0.000 2.046 45 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 45 L C 2.799 179.619 176.870 -0.083 0.000 1.077 45 L CA 0.926 55.720 54.840 -0.077 0.000 0.747 45 L CB -0.885 41.124 42.059 -0.083 0.000 0.896 45 L HN 0.163 nan 8.230 nan 0.000 0.432 46 V N 0.299 120.167 119.914 -0.077 0.000 2.287 46 V HA -0.225 3.894 4.120 -0.001 0.000 0.248 46 V C 2.641 178.699 176.094 -0.061 0.000 1.053 46 V CA 2.059 64.313 62.300 -0.077 0.000 1.027 46 V CB -1.454 30.326 31.823 -0.072 0.000 0.646 46 V HN 0.564 nan 8.190 nan 0.000 0.447 47 G N -0.004 108.775 108.800 -0.035 0.000 2.511 47 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.216 47 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.216 47 G C 1.591 176.485 174.900 -0.011 0.000 1.218 47 G CA 1.154 46.258 45.100 0.007 0.000 0.788 47 G HN 0.440 nan 8.290 nan 0.000 0.560 48 L N 0.918 122.117 121.223 -0.041 0.000 2.021 48 L HA -0.214 4.126 4.340 -0.001 0.000 0.215 48 L C 3.461 180.252 176.870 -0.132 0.000 1.074 48 L CA 1.391 56.164 54.840 -0.111 0.000 0.760 48 L CB -0.534 41.467 42.059 -0.096 0.000 0.889 48 L HN 0.332 nan 8.230 nan 0.000 0.433 49 A N -0.150 122.598 122.820 -0.119 0.000 1.883 49 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 49 A C 2.518 180.094 177.584 -0.012 0.000 1.186 49 A CA 2.032 53.984 52.037 -0.142 0.000 0.624 49 A CB -0.845 18.051 19.000 -0.173 0.000 0.822 49 A HN 0.436 nan 8.150 nan 0.000 0.444 50 A N -0.786 122.029 122.820 -0.008 0.000 1.930 50 A HA 0.056 4.376 4.320 -0.001 0.000 0.217 50 A C 2.243 179.909 177.584 0.137 0.000 1.175 50 A CA 1.677 53.741 52.037 0.046 0.000 0.627 50 A CB -0.885 18.104 19.000 -0.018 0.000 0.815 50 A HN 0.367 nan 8.150 nan 0.000 0.443 51 V N -0.056 119.888 119.914 0.051 0.000 2.237 51 V HA -0.280 3.839 4.120 -0.001 0.000 0.245 51 V C 3.099 179.178 176.094 -0.024 0.000 1.046 51 V CA 2.088 64.377 62.300 -0.018 0.000 1.007 51 V CB -1.316 30.378 31.823 -0.214 0.000 0.638 51 V HN 0.616 nan 8.190 nan 0.000 0.445 52 A N -0.573 122.214 122.820 -0.054 0.000 1.917 52 A HA -0.295 4.025 4.320 -0.001 0.000 0.219 52 A C 2.145 179.844 177.584 0.192 0.000 1.182 52 A CA 2.338 54.380 52.037 0.008 0.000 0.633 52 A CB -0.831 18.151 19.000 -0.031 0.000 0.819 52 A HN 0.576 nan 8.150 nan 0.000 0.448 53 F N 0.926 120.991 119.950 0.192 0.000 2.095 53 F HA -0.219 4.307 4.527 -0.002 0.000 0.298 53 F C 1.929 177.749 175.800 0.034 0.000 1.104 53 F CA 2.279 60.385 58.000 0.176 0.000 1.232 53 F CB -0.215 38.895 39.000 0.183 0.000 0.987 53 F HN 0.339 nan 8.300 nan 0.000 0.475 54 D N 0.069 120.647 120.400 0.296 0.000 2.178 54 D HA -0.151 4.488 4.640 -0.001 0.000 0.202 54 D C 1.972 178.300 176.300 0.048 0.000 0.974 54 D CA 1.085 55.194 54.000 0.181 0.000 0.841 54 D CB -0.083 40.855 40.800 0.230 0.000 0.953 54 D HN 0.124 nan 8.370 nan 0.000 0.478 55 K N -0.112 120.307 120.400 0.032 0.000 2.148 55 K HA 0.023 4.342 4.320 -0.001 0.000 0.204 55 K C 2.085 178.697 176.600 0.021 0.000 1.050 55 K CA 0.960 57.261 56.287 0.024 0.000 0.942 55 K CB -0.543 31.952 32.500 -0.008 0.000 0.724 55 K HN 0.240 nan 8.250 nan 0.000 0.446 56 G N 1.090 109.850 108.800 -0.067 0.000 2.414 56 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.215 56 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.215 56 G C 1.690 176.546 174.900 -0.073 0.000 1.188 56 G CA 0.600 45.636 45.100 -0.106 0.000 0.783 56 G HN 0.088 nan 8.290 nan 0.000 0.537 57 V N 1.733 121.505 119.914 -0.236 0.000 2.332 57 V HA -0.172 3.947 4.120 -0.001 0.000 0.248 57 V C 3.322 179.401 176.094 -0.025 0.000 1.055 57 V CA 2.102 64.295 62.300 -0.179 0.000 1.038 57 V CB -0.895 30.780 31.823 -0.246 0.000 0.651 57 V HN 0.485 nan 8.190 nan 0.000 0.450 58 A N -0.981 121.854 122.820 0.025 0.000 1.877 58 A HA -0.278 4.042 4.320 -0.001 0.000 0.216 58 A C 1.966 179.601 177.584 0.085 0.000 1.186 58 A CA 1.881 53.954 52.037 0.060 0.000 0.620 58 A CB -0.988 18.058 19.000 0.078 0.000 0.822 58 A HN 0.707 nan 8.150 nan 0.000 0.443 59 W N 0.554 121.828 121.300 -0.044 0.000 2.321 59 W HA -0.188 4.472 4.660 -0.000 0.000 0.306 59 W C 1.759 178.255 176.519 -0.037 0.000 1.217 59 W CA 2.073 59.398 57.345 -0.034 0.000 1.257 59 W CB -0.223 29.215 29.460 -0.036 0.000 1.145 59 W HN 0.270 nan 8.180 nan 0.000 0.509 60 L N -0.209 121.077 121.223 0.106 0.000 2.072 60 L HA -0.187 4.152 4.340 -0.001 0.000 0.205 60 L C 2.653 179.443 176.870 -0.133 0.000 1.079 60 L CA 1.327 56.136 54.840 -0.052 0.000 0.752 60 L CB -0.940 41.159 42.059 0.067 0.000 0.906 60 L HN -0.003 nan 8.230 nan 0.000 0.436 61 Q N -0.347 119.410 119.800 -0.071 0.000 2.291 61 Q HA -0.212 4.128 4.340 -0.001 0.000 0.206 61 Q C 1.884 177.827 176.000 -0.094 0.000 0.976 61 Q CA 1.244 57.013 55.803 -0.057 0.000 0.875 61 Q CB -0.087 28.643 28.738 -0.013 0.000 0.927 61 Q HN 0.540 nan 8.270 nan 0.000 0.450 62 N N -0.526 118.077 118.700 -0.161 0.000 2.109 62 N HA -0.158 4.582 4.740 -0.001 0.000 0.188 62 N C 1.649 177.005 175.510 -0.257 0.000 1.034 62 N CA 0.586 53.520 53.050 -0.194 0.000 0.846 62 N CB 0.272 38.621 38.487 -0.229 0.000 1.010 62 N HN 0.176 nan 8.380 nan 0.000 0.425 63 Q N 0.946 120.487 119.800 -0.433 0.000 2.135 63 Q HA -0.148 4.192 4.340 -0.001 0.000 0.204 63 Q C 1.903 177.775 176.000 -0.213 0.000 0.981 63 Q CA 1.155 56.722 55.803 -0.393 0.000 0.856 63 Q CB -0.447 27.953 28.738 -0.565 0.000 0.902 63 Q HN 0.433 nan 8.270 nan 0.000 0.425 64 R N -0.256 120.143 120.500 -0.169 0.000 2.120 64 R HA -0.026 4.313 4.340 -0.001 0.000 0.234 64 R C 2.113 178.386 176.300 -0.044 0.000 1.123 64 R CA 1.199 57.247 56.100 -0.087 0.000 0.975 64 R CB -0.194 30.072 30.300 -0.057 0.000 0.866 64 R HN 0.186 nan 8.270 nan 0.000 0.446 65 M N -0.597 118.975 119.600 -0.046 0.000 2.447 65 M HA 0.055 4.534 4.480 -0.001 0.000 0.264 65 M C 1.907 178.200 176.300 -0.012 0.000 1.095 65 M CA 1.006 56.304 55.300 -0.004 0.000 1.125 65 M CB 0.253 32.852 32.600 -0.001 0.000 1.389 65 M HN 0.179 nan 8.290 nan 0.000 0.459 66 G N -0.830 107.937 108.800 -0.054 0.000 2.448 66 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.218 66 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.218 66 G C 1.487 176.381 174.900 -0.009 0.000 1.135 66 G CA 0.767 45.842 45.100 -0.042 0.000 0.784 66 G HN 0.550 nan 8.290 nan 0.000 0.543 67 A N 0.694 123.496 122.820 -0.031 0.000 1.898 67 A HA 0.216 4.535 4.320 -0.001 0.000 0.214 67 A C 2.340 179.938 177.584 0.023 0.000 1.183 67 A CA 0.792 52.816 52.037 -0.022 0.000 0.622 67 A CB -0.304 18.659 19.000 -0.061 0.000 0.824 67 A HN 0.317 nan 8.150 nan 0.000 0.444 68 L N -0.369 120.864 121.223 0.017 0.000 2.191 68 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 68 L C 2.390 179.289 176.870 0.049 0.000 1.103 68 L CA 0.739 55.593 54.840 0.022 0.000 0.769 68 L CB -0.667 41.428 42.059 0.061 0.000 0.908 68 L HN 0.220 nan 8.230 nan 0.000 0.438 69 V N -0.486 119.462 119.914 0.058 0.000 2.307 69 V HA -0.313 3.807 4.120 -0.001 0.000 0.245 69 V C 2.422 178.550 176.094 0.056 0.000 1.045 69 V CA 1.992 64.322 62.300 0.050 0.000 1.024 69 V CB -0.646 31.199 31.823 0.036 0.000 0.651 69 V HN 0.503 nan 8.190 nan 0.000 0.449 70 H N 0.773 119.834 119.070 -0.016 0.000 2.457 70 H HA -0.113 4.442 4.556 -0.002 0.000 0.297 70 H C 1.370 176.688 175.328 -0.018 0.000 1.092 70 H CA 1.618 57.656 56.048 -0.017 0.000 1.309 70 H CB 0.177 29.926 29.762 -0.021 0.000 1.382 70 H HN 0.582 nan 8.280 nan 0.000 0.535 71 T N -2.968 111.667 114.554 0.136 0.000 3.532 71 T HA 0.592 4.941 4.350 -0.001 0.000 0.241 71 T C 0.807 175.512 174.700 0.010 0.000 1.238 71 T CA -0.157 61.987 62.100 0.072 0.000 1.405 71 T CB 0.717 69.626 68.868 0.069 0.000 0.971 71 T HN 0.332 nan 8.240 nan 0.000 0.640 72 A N 1.412 124.233 122.820 0.002 0.000 2.178 72 A HA 0.172 4.491 4.320 -0.001 0.000 0.211 72 A C 1.737 179.307 177.584 -0.024 0.000 1.157 72 A CA 0.802 52.834 52.037 -0.008 0.000 0.780 72 A CB -0.183 18.821 19.000 0.007 0.000 0.828 72 A HN 0.726 nan 8.150 nan 0.000 0.476 73 D N 0.256 120.647 120.400 -0.014 0.000 2.178 73 D HA -0.093 4.546 4.640 -0.001 0.000 0.217 73 D C 0.756 177.062 176.300 0.009 0.000 0.992 73 D CA 0.539 54.536 54.000 -0.005 0.000 0.895 73 D CB -1.192 39.608 40.800 0.001 0.000 1.031 73 D HN 0.273 nan 8.370 nan 0.000 0.453 74 N N -0.097 118.616 118.700 0.022 0.000 2.394 74 N HA -0.089 4.650 4.740 -0.001 0.000 0.282 74 N C 0.361 175.918 175.510 0.079 0.000 1.351 74 N CA -0.008 53.073 53.050 0.050 0.000 0.936 74 N CB -0.072 38.436 38.487 0.036 0.000 1.274 74 N HN 0.226 nan 8.380 nan 0.000 0.489 75 Y N 5.034 125.328 120.300 -0.009 0.000 2.070 75 Y HA -0.165 4.382 4.550 -0.004 0.000 0.280 75 Y C -0.729 175.142 175.900 -0.048 0.000 1.148 75 Y CA 1.074 59.163 58.100 -0.017 0.000 1.125 75 Y CB -0.328 38.140 38.460 0.012 0.000 0.975 75 Y HN 0.639 nan 8.280 nan 0.000 0.492 76 P HA -0.162 nan 4.420 nan 0.000 0.221 76 P C 1.414 178.738 177.300 0.040 0.000 1.150 76 P CA 1.053 64.202 63.100 0.082 0.000 0.800 76 P CB -0.071 31.639 31.700 0.017 0.000 0.787 77 L N -0.658 120.585 121.223 0.035 0.000 2.156 77 L HA -0.033 4.306 4.340 -0.001 0.000 0.208 77 L C 2.044 178.903 176.870 -0.019 0.000 1.095 77 L CA 1.434 56.278 54.840 0.007 0.000 0.770 77 L CB -1.339 40.728 42.059 0.013 0.000 0.914 77 L HN -0.113 nan 8.230 nan 0.000 0.439 78 L N -1.391 119.804 121.223 -0.047 0.000 2.056 78 L HA -0.152 4.187 4.340 -0.001 0.000 0.207 78 L C 2.237 178.997 176.870 -0.184 0.000 1.078 78 L CA 1.305 56.059 54.840 -0.143 0.000 0.749 78 L CB -0.181 41.726 42.059 -0.252 0.000 0.901 78 L HN 0.274 nan 8.230 nan 0.000 0.433 79 L N -0.527 120.625 121.223 -0.119 0.000 2.275 79 L HA -0.152 4.187 4.340 -0.001 0.000 0.215 79 L C 2.355 179.229 176.870 0.007 0.000 1.119 79 L CA 1.351 56.150 54.840 -0.068 0.000 0.790 79 L CB -0.890 41.185 42.059 0.027 0.000 0.919 79 L HN 0.367 nan 8.230 nan 0.000 0.443 80 T N -0.391 114.163 114.554 -0.001 0.000 2.732 80 T HA -0.122 4.227 4.350 -0.001 0.000 0.261 80 T C 1.828 176.565 174.700 0.060 0.000 1.040 80 T CA 1.427 63.541 62.100 0.023 0.000 1.145 80 T CB -0.491 68.374 68.868 -0.005 0.000 0.866 80 T HN 0.323 nan 8.240 nan 0.000 0.427 81 V N 0.336 120.259 119.914 0.014 0.000 3.305 81 V HA 0.274 4.393 4.120 -0.001 0.000 0.269 81 V C 2.422 178.524 176.094 0.013 0.000 1.157 81 V CA 0.815 63.121 62.300 0.009 0.000 1.157 81 V CB -1.555 30.255 31.823 -0.022 0.000 0.772 81 V HN 0.437 nan 8.190 nan 0.000 0.498 82 A N 0.334 123.162 122.820 0.014 0.000 1.855 82 A HA 0.044 4.363 4.320 -0.001 0.000 0.213 82 A C 1.965 179.600 177.584 0.084 0.000 1.195 82 A CA 1.503 53.557 52.037 0.028 0.000 0.610 82 A CB -0.731 18.266 19.000 -0.004 0.000 0.837 82 A HN 0.536 nan 8.150 nan 0.000 0.444 83 F N 0.664 120.611 119.950 -0.005 0.000 2.060 83 F HA -0.078 4.447 4.527 -0.002 0.000 0.295 83 F C 1.943 177.751 175.800 0.012 0.000 1.120 83 F CA 1.743 59.751 58.000 0.013 0.000 1.205 83 F CB -0.302 38.704 39.000 0.010 0.000 0.986 83 F HN 0.103 nan 8.300 nan 0.000 0.470 84 L N -1.058 120.362 121.223 0.328 0.000 2.275 84 L HA -0.254 4.085 4.340 -0.001 0.000 0.215 84 L C 2.494 179.411 176.870 0.077 0.000 1.119 84 L CA 0.629 55.596 54.840 0.212 0.000 0.790 84 L CB -0.828 41.319 42.059 0.146 0.000 0.919 84 L HN 0.332 nan 8.230 nan 0.000 0.443 85 C N -1.157 118.166 119.300 0.038 0.000 2.476 85 C HA -0.106 4.354 4.460 -0.001 0.000 0.278 85 C C 3.095 178.078 174.990 -0.012 0.000 1.274 85 C CA 1.099 60.117 59.018 0.000 0.000 1.713 85 C CB -0.398 27.334 27.740 -0.014 0.000 2.039 85 C HN 0.487 nan 8.230 nan 0.000 0.484 86 S N 0.802 116.477 115.700 -0.042 0.000 2.371 86 S HA -0.033 4.436 4.470 -0.001 0.000 0.224 86 S C 2.157 176.715 174.600 -0.071 0.000 1.029 86 S CA 1.106 59.267 58.200 -0.064 0.000 0.978 86 S CB -0.481 62.651 63.200 -0.113 0.000 0.833 86 S HN 0.680 nan 8.310 nan 0.000 0.466 87 A N 1.502 124.242 122.820 -0.133 0.000 1.859 87 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 87 A C 2.322 179.928 177.584 0.036 0.000 1.198 87 A CA 1.940 53.930 52.037 -0.078 0.000 0.629 87 A CB -1.179 17.828 19.000 0.011 0.000 0.830 87 A HN 0.338 nan 8.150 nan 0.000 0.446 88 V N -0.314 119.631 119.914 0.052 0.000 2.490 88 V HA -0.228 3.891 4.120 -0.001 0.000 0.250 88 V C 2.504 178.667 176.094 0.116 0.000 1.061 88 V CA 1.901 64.245 62.300 0.073 0.000 1.064 88 V CB -0.638 31.208 31.823 0.039 0.000 0.670 88 V HN 0.531 nan 8.190 nan 0.000 0.461 89 L N -0.503 120.778 121.223 0.096 0.000 2.131 89 L HA -0.017 4.322 4.340 -0.001 0.000 0.206 89 L C 2.613 179.608 176.870 0.207 0.000 1.087 89 L CA 1.220 56.146 54.840 0.143 0.000 0.767 89 L CB -0.559 41.545 42.059 0.076 0.000 0.917 89 L HN 0.328 nan 8.230 nan 0.000 0.441 90 A N -0.207 122.717 122.820 0.174 0.000 1.855 90 A HA -0.206 4.113 4.320 -0.001 0.000 0.215 90 A C 2.288 180.098 177.584 0.377 0.000 1.191 90 A CA 1.458 53.656 52.037 0.268 0.000 0.613 90 A CB -0.444 18.699 19.000 0.240 0.000 0.829 90 A HN 0.284 nan 8.150 nan 0.000 0.442 91 M N -1.876 117.875 119.600 0.251 0.000 2.106 91 M HA -0.147 4.332 4.480 -0.001 0.000 0.259 91 M C 2.151 178.629 176.300 0.297 0.000 1.068 91 M CA 1.916 57.350 55.300 0.225 0.000 1.100 91 M CB -0.484 32.194 32.600 0.131 0.000 1.351 91 M HN 0.555 nan 8.290 nan 0.000 0.404 92 F N 0.681 120.726 119.950 0.158 0.000 2.293 92 F HA -0.062 4.464 4.527 -0.002 0.000 0.300 92 F C 2.025 177.952 175.800 0.213 0.000 1.086 92 F CA 1.421 59.533 58.000 0.187 0.000 1.375 92 F CB -0.269 38.804 39.000 0.122 0.000 1.045 92 F HN 0.040 nan 8.300 nan 0.000 0.516 93 G N -0.809 108.081 108.800 0.149 0.000 2.425 93 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.213 93 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.213 93 G C 1.275 176.120 174.900 -0.091 0.000 1.201 93 G CA 0.717 45.804 45.100 -0.022 0.000 0.799 93 G HN 0.405 nan 8.290 nan 0.000 0.534 94 Y N -0.042 120.221 120.300 -0.063 0.000 2.193 94 Y HA -0.117 4.432 4.550 -0.002 0.000 0.285 94 Y C 2.378 178.183 175.900 -0.159 0.000 1.166 94 Y CA 1.533 59.540 58.100 -0.155 0.000 1.181 94 Y CB -0.520 37.870 38.460 -0.118 0.000 0.976 94 Y HN 0.262 nan 8.280 nan 0.000 0.520 95 F N -0.239 119.691 119.950 -0.034 0.000 2.051 95 F HA -0.263 4.263 4.527 -0.002 0.000 0.296 95 F C 2.093 177.820 175.800 -0.122 0.000 1.122 95 F CA 1.238 59.187 58.000 -0.085 0.000 1.201 95 F CB -0.432 38.538 39.000 -0.049 0.000 0.978 95 F HN -0.108 nan 8.300 nan 0.000 0.472 96 L N 0.268 121.262 121.223 -0.382 0.000 2.129 96 L HA -0.222 4.117 4.340 -0.001 0.000 0.212 96 L C 2.388 179.102 176.870 -0.261 0.000 1.087 96 L CA 1.319 55.933 54.840 -0.377 0.000 0.757 96 L CB -1.292 40.554 42.059 -0.355 0.000 0.896 96 L HN 0.194 nan 8.230 nan 0.000 0.434 97 V N -0.612 119.137 119.914 -0.275 0.000 2.255 97 V HA -0.204 3.915 4.120 -0.001 0.000 0.243 97 V C 2.698 178.607 176.094 -0.308 0.000 1.038 97 V CA 1.276 63.413 62.300 -0.271 0.000 1.008 97 V CB -0.448 31.180 31.823 -0.325 0.000 0.645 97 V HN 0.377 nan 8.190 nan 0.000 0.449 98 R N 0.434 120.715 120.500 -0.365 0.000 2.081 98 R HA -0.175 4.164 4.340 -0.001 0.000 0.235 98 R C 2.273 178.373 176.300 -0.333 0.000 1.131 98 R CA 1.702 57.596 56.100 -0.343 0.000 0.960 98 R CB -0.585 29.539 30.300 -0.293 0.000 0.856 98 R HN 0.403 nan 8.270 nan 0.000 0.436 99 K N -0.286 119.803 120.400 -0.520 0.000 2.116 99 K HA -0.074 4.245 4.320 -0.001 0.000 0.203 99 K C 1.346 177.489 176.600 -0.762 0.000 1.052 99 K CA 1.381 57.223 56.287 -0.741 0.000 0.952 99 K CB 0.033 31.755 32.500 -1.297 0.000 0.729 99 K HN 0.189 nan 8.250 nan 0.000 0.446 100 Y N -1.703 118.405 120.300 -0.320 0.000 2.526 100 Y HA 0.488 5.037 4.550 -0.001 0.000 0.265 100 Y C -0.064 175.732 175.900 -0.173 0.000 1.092 100 Y CA -0.113 57.857 58.100 -0.217 0.000 1.277 100 Y CB 1.111 39.441 38.460 -0.215 0.000 1.228 100 Y HN 0.027 nan 8.280 nan 0.000 0.507 101 A N 0.227 123.007 122.820 -0.067 0.000 2.741 101 A HA 0.450 4.769 4.320 -0.001 0.000 0.298 101 A C -2.580 174.919 177.584 -0.141 0.000 1.153 101 A CA -0.961 51.016 52.037 -0.100 0.000 0.816 101 A CB 0.496 19.434 19.000 -0.103 0.000 1.396 101 A HN -0.048 nan 8.150 nan 0.000 0.407 102 P HA -0.107 nan 4.420 nan 0.000 0.225 102 P C 1.190 178.411 177.300 -0.132 0.000 1.156 102 P CA 1.302 64.306 63.100 -0.159 0.000 0.787 102 P CB 0.238 31.869 31.700 -0.114 0.000 0.802 103 E N 0.152 120.288 120.200 -0.107 0.000 2.274 103 E HA -0.035 4.314 4.350 -0.001 0.000 0.194 103 E C 1.386 177.928 176.600 -0.098 0.000 0.996 103 E CA 0.843 57.190 56.400 -0.089 0.000 0.840 103 E CB -0.720 28.930 29.700 -0.084 0.000 0.772 103 E HN 0.089 nan 8.360 nan 0.000 0.491 104 A N 1.488 124.238 122.820 -0.118 0.000 2.462 104 A HA 0.384 4.704 4.320 -0.001 0.000 0.261 104 A C 0.861 178.366 177.584 -0.132 0.000 1.323 104 A CA 0.062 52.032 52.037 -0.111 0.000 0.913 104 A CB -0.142 18.795 19.000 -0.105 0.000 1.028 104 A HN 0.275 nan 8.150 nan 0.000 0.511 105 G N -1.981 106.724 108.800 -0.157 0.000 2.528 105 G HA2 0.560 4.520 3.960 -0.001 0.000 0.289 105 G HA3 0.560 4.520 3.960 -0.001 0.000 0.289 105 G C 0.785 175.589 174.900 -0.159 0.000 1.192 105 G CA 0.143 45.123 45.100 -0.199 0.000 0.921 105 G HN 1.391 nan 8.290 nan 0.000 0.512 106 G N -0.324 108.351 108.800 -0.208 0.000 2.566 106 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.280 106 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.280 106 G C 1.499 176.413 174.900 0.024 0.000 1.225 106 G CA 1.129 46.065 45.100 -0.274 0.000 0.966 106 G HN 1.549 nan 8.290 nan 0.000 0.560 107 S N -0.528 115.330 115.700 0.264 0.000 2.355 107 S HA 0.311 4.780 4.470 -0.001 0.000 0.210 107 S C 2.277 176.924 174.600 0.078 0.000 1.035 107 S CA 3.230 61.635 58.200 0.341 0.000 1.011 107 S CB -0.681 62.787 63.200 0.446 0.000 1.000 107 S HN 2.779 nan 8.310 nan 0.000 0.423 108 G N -0.283 108.528 108.800 0.018 0.000 2.336 108 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.194 108 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.194 108 G C 0.893 175.743 174.900 -0.083 0.000 0.999 108 G CA 0.261 45.335 45.100 -0.044 0.000 0.669 108 G HN 0.495 nan 8.290 nan 0.000 0.482 109 I N 1.608 122.082 120.570 -0.160 0.000 2.315 109 I HA -0.053 4.116 4.170 -0.001 0.000 0.248 109 I C -0.015 175.983 176.117 -0.199 0.000 1.117 109 I CA 1.554 62.702 61.300 -0.253 0.000 1.404 109 I CB -0.790 36.848 38.000 -0.603 0.000 1.071 109 I HN 0.157 nan 8.210 nan 0.000 0.419 110 P HA -0.157 nan 4.420 nan 0.000 0.218 110 P C 1.412 178.709 177.300 -0.006 0.000 1.149 110 P CA 1.219 64.310 63.100 -0.016 0.000 0.817 110 P CB 0.097 31.842 31.700 0.075 0.000 0.785 111 E N -0.346 119.841 120.200 -0.022 0.000 2.110 111 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 111 E C 1.853 178.440 176.600 -0.021 0.000 0.988 111 E CA 1.060 57.448 56.400 -0.020 0.000 0.804 111 E CB -0.758 28.921 29.700 -0.035 0.000 0.745 111 E HN 0.044 nan 8.360 nan 0.000 0.458 112 I N 0.822 121.371 120.570 -0.034 0.000 2.353 112 I HA -0.132 4.038 4.170 -0.001 0.000 0.248 112 I C 2.048 178.149 176.117 -0.027 0.000 1.119 112 I CA 1.134 62.416 61.300 -0.029 0.000 1.417 112 I CB -1.132 36.848 38.000 -0.034 0.000 1.078 112 I HN 0.227 nan 8.210 nan 0.000 0.421 113 E N 1.146 121.326 120.200 -0.033 0.000 2.085 113 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 113 E C 2.306 178.909 176.600 0.004 0.000 0.994 113 E CA 1.396 57.779 56.400 -0.028 0.000 0.801 113 E CB -0.266 29.430 29.700 -0.006 0.000 0.743 113 E HN 0.559 nan 8.360 nan 0.000 0.453 114 G N 1.113 109.925 108.800 0.019 0.000 2.418 114 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.217 114 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.217 114 G C 1.687 176.609 174.900 0.037 0.000 1.158 114 G CA 0.846 45.966 45.100 0.033 0.000 0.771 114 G HN 0.342 nan 8.290 nan 0.000 0.545 115 A N 0.253 123.090 122.820 0.028 0.000 2.024 115 A HA 0.107 4.426 4.320 -0.001 0.000 0.220 115 A C 2.347 179.983 177.584 0.086 0.000 1.164 115 A CA 1.166 53.231 52.037 0.047 0.000 0.643 115 A CB -0.282 18.736 19.000 0.030 0.000 0.806 115 A HN 0.370 nan 8.150 nan 0.000 0.451 116 L N -0.720 120.530 121.223 0.045 0.000 2.270 116 L HA -0.028 4.312 4.340 -0.001 0.000 0.210 116 L C 1.850 178.703 176.870 -0.027 0.000 1.104 116 L CA 0.718 55.556 54.840 -0.003 0.000 0.804 116 L CB -0.148 41.839 42.059 -0.120 0.000 0.937 116 L HN 0.298 nan 8.230 nan 0.000 0.450 117 E N -0.383 119.835 120.200 0.030 0.000 2.502 117 E HA -0.102 4.247 4.350 -0.001 0.000 0.194 117 E C -0.075 176.586 176.600 0.101 0.000 1.062 117 E CA 0.267 56.704 56.400 0.062 0.000 0.867 117 E CB 0.020 29.766 29.700 0.077 0.000 0.888 117 E HN 0.398 nan 8.360 nan 0.000 0.510 118 D N 0.226 120.705 120.400 0.131 0.000 3.006 118 D HA -0.197 4.442 4.640 -0.001 0.000 0.208 118 D C 0.739 177.081 176.300 0.070 0.000 1.116 118 D CA 0.745 54.811 54.000 0.110 0.000 0.998 118 D CB -0.685 40.183 40.800 0.113 0.000 1.124 118 D HN 0.274 nan 8.370 nan 0.000 0.413 119 Q N -0.216 119.620 119.800 0.059 0.000 2.365 119 Q HA 0.082 4.421 4.340 -0.001 0.000 0.203 119 Q C 0.589 176.611 176.000 0.036 0.000 0.929 119 Q CA 0.634 56.462 55.803 0.043 0.000 0.948 119 Q CB 0.592 29.352 28.738 0.036 0.000 1.043 119 Q HN 0.319 nan 8.270 nan 0.000 0.505 120 R N 0.567 121.090 120.500 0.039 0.000 2.725 120 R HA 0.524 4.863 4.340 -0.001 0.000 0.277 120 R C -2.580 173.738 176.300 0.030 0.000 0.987 120 R CA -1.963 54.153 56.100 0.027 0.000 0.901 120 R CB 1.161 31.471 30.300 0.017 0.000 1.207 120 R HN -0.083 nan 8.270 nan 0.000 0.463 121 P HA 0.363 nan 4.420 nan 0.000 0.281 121 P C -0.583 176.707 177.300 -0.016 0.000 1.264 121 P CA -0.616 62.499 63.100 0.025 0.000 0.824 121 P CB 1.007 32.730 31.700 0.037 0.000 1.092 122 V N 2.173 122.078 119.914 -0.015 0.000 2.235 122 V HA 0.285 4.404 4.120 -0.001 0.000 0.266 122 V C 0.801 176.755 176.094 -0.233 0.000 1.055 122 V CA -0.493 61.769 62.300 -0.063 0.000 0.844 122 V CB -0.198 31.638 31.823 0.021 0.000 1.097 122 V HN 0.418 nan 8.190 nan 0.000 0.453 123 R N 4.222 124.424 120.500 -0.496 0.000 3.206 123 R HA 0.035 4.375 4.340 -0.001 0.000 0.209 123 R C 1.431 177.003 176.300 -1.214 0.000 1.632 123 R CA -0.150 55.159 56.100 -1.318 0.000 1.234 123 R CB 0.116 29.815 30.300 -1.001 0.000 1.270 123 R HN 0.936 nan 8.270 nan 0.000 0.665 124 W N 2.540 123.298 121.300 -0.904 0.000 2.355 124 W HA -0.233 4.426 4.660 -0.002 0.000 0.309 124 W C 0.953 177.310 176.519 -0.271 0.000 1.206 124 W CA 0.826 57.945 57.345 -0.376 0.000 1.284 124 W CB -1.153 28.249 29.460 -0.097 0.000 1.145 124 W HN 0.554 nan 8.180 nan 0.000 0.502 125 W N 1.813 122.515 121.300 -0.998 0.000 2.321 125 W HA -0.102 4.557 4.660 -0.001 0.000 0.285 125 W C 2.177 178.500 176.519 -0.326 0.000 1.213 125 W CA 1.849 58.655 57.345 -0.898 0.000 1.205 125 W CB -1.341 27.481 29.460 -1.062 0.000 1.134 125 W HN -0.169 nan 8.180 nan 0.000 0.549 126 R N 0.422 120.539 120.500 -0.639 0.000 2.072 126 R HA 0.031 4.370 4.340 -0.001 0.000 0.214 126 R C 2.307 178.491 176.300 -0.195 0.000 1.168 126 R CA 1.200 57.102 56.100 -0.330 0.000 1.020 126 R CB -0.817 29.241 30.300 -0.403 0.000 0.914 126 R HN 0.131 nan 8.270 nan 0.000 0.449 127 V N 2.387 122.161 119.914 -0.234 0.000 2.261 127 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 127 V C 2.467 178.544 176.094 -0.029 0.000 1.047 127 V CA 1.717 63.944 62.300 -0.123 0.000 1.015 127 V CB -0.613 31.130 31.823 -0.133 0.000 0.642 127 V HN 0.264 nan 8.190 nan 0.000 0.446 128 L N 0.560 121.787 121.223 0.006 0.000 1.997 128 L HA -0.212 4.127 4.340 -0.001 0.000 0.227 128 L C 0.397 177.339 176.870 0.120 0.000 1.087 128 L CA 2.509 57.383 54.840 0.056 0.000 0.797 128 L CB -2.375 39.739 42.059 0.091 0.000 0.902 128 L HN 0.368 nan 8.230 nan 0.000 0.441 129 P HA -0.103 nan 4.420 nan 0.000 0.217 129 P C 1.926 179.432 177.300 0.344 0.000 1.150 129 P CA 1.337 64.653 63.100 0.361 0.000 0.832 129 P CB 0.018 31.860 31.700 0.236 0.000 0.787 130 V N 0.611 120.597 119.914 0.120 0.000 2.307 130 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 130 V C 2.806 178.933 176.094 0.054 0.000 1.045 130 V CA 2.150 64.475 62.300 0.042 0.000 1.024 130 V CB -1.078 30.721 31.823 -0.039 0.000 0.651 130 V HN 0.081 nan 8.190 nan 0.000 0.449 131 K N -0.177 120.256 120.400 0.054 0.000 2.031 131 K HA -0.108 4.211 4.320 -0.001 0.000 0.205 131 K C 1.919 178.598 176.600 0.131 0.000 1.049 131 K CA 1.515 57.828 56.287 0.043 0.000 0.939 131 K CB -0.544 31.958 32.500 0.002 0.000 0.717 131 K HN 0.359 nan 8.250 nan 0.000 0.438 132 F N 0.014 119.964 119.950 -0.001 0.000 2.000 132 F HA -0.235 4.292 4.527 -0.001 0.000 0.296 132 F C 1.597 177.381 175.800 -0.026 0.000 1.159 132 F CA 1.891 59.879 58.000 -0.021 0.000 1.183 132 F CB -0.417 38.417 39.000 -0.277 0.000 0.959 132 F HN 0.012 nan 8.300 nan 0.000 0.490 133 F N 0.921 120.854 119.950 -0.027 0.000 2.269 133 F HA -0.026 4.500 4.527 -0.001 0.000 0.301 133 F C 2.534 178.307 175.800 -0.044 0.000 1.082 133 F CA 1.099 59.038 58.000 -0.101 0.000 1.360 133 F CB -1.457 37.603 39.000 0.101 0.000 1.041 133 F HN 0.142 nan 8.300 nan 0.000 0.512 134 G N -0.135 108.722 108.800 0.094 0.000 2.394 134 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.214 134 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.214 134 G C 2.061 176.966 174.900 0.008 0.000 1.176 134 G CA 0.721 45.817 45.100 -0.006 0.000 0.786 134 G HN 0.468 nan 8.290 nan 0.000 0.533 135 G N 1.042 109.879 108.800 0.062 0.000 2.433 135 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.216 135 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.216 135 G C 1.748 176.638 174.900 -0.018 0.000 1.186 135 G CA 0.950 46.139 45.100 0.147 0.000 0.779 135 G HN 0.304 nan 8.290 nan 0.000 0.543 136 L N 1.530 122.606 121.223 -0.246 0.000 2.123 136 L HA -0.135 4.204 4.340 -0.001 0.000 0.217 136 L C 2.981 179.787 176.870 -0.107 0.000 1.081 136 L CA 2.133 56.752 54.840 -0.369 0.000 0.772 136 L CB -0.808 41.006 42.059 -0.408 0.000 0.890 136 L HN 0.290 nan 8.230 nan 0.000 0.437 137 G N -2.199 106.619 108.800 0.030 0.000 2.404 137 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.214 137 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.214 137 G C 1.561 176.503 174.900 0.069 0.000 1.189 137 G CA 1.084 46.256 45.100 0.120 0.000 0.789 137 G HN 0.464 nan 8.290 nan 0.000 0.533 138 T N -0.157 114.420 114.554 0.039 0.000 2.857 138 T HA 0.112 4.461 4.350 -0.001 0.000 0.266 138 T C 2.309 177.030 174.700 0.035 0.000 1.048 138 T CA 0.533 62.652 62.100 0.032 0.000 1.139 138 T CB -0.159 68.691 68.868 -0.030 0.000 0.874 138 T HN 0.018 nan 8.240 nan 0.000 0.455 139 L N 1.365 122.603 121.223 0.025 0.000 2.072 139 L HA 0.138 4.477 4.340 -0.001 0.000 0.205 139 L C 3.098 179.964 176.870 -0.005 0.000 1.079 139 L CA 2.006 56.861 54.840 0.025 0.000 0.752 139 L CB -1.742 40.343 42.059 0.044 0.000 0.906 139 L HN 0.500 nan 8.230 nan 0.000 0.436 140 G N -0.367 108.411 108.800 -0.038 0.000 2.462 140 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.220 140 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.220 140 G C 1.456 176.352 174.900 -0.007 0.000 1.121 140 G CA 0.752 45.834 45.100 -0.031 0.000 0.758 140 G HN 0.509 nan 8.290 nan 0.000 0.559 141 G N -0.439 108.366 108.800 0.009 0.000 2.848 141 G HA2 0.361 4.321 3.960 -0.001 0.000 0.208 141 G HA3 0.361 4.321 3.960 -0.001 0.000 0.208 141 G C 1.201 176.108 174.900 0.010 0.000 1.152 141 G CA 0.467 45.572 45.100 0.008 0.000 0.789 141 G HN 1.412 nan 8.290 nan 0.000 0.531 142 G N -0.322 108.489 108.800 0.019 0.000 2.149 142 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.235 142 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.235 142 G C 0.360 175.280 174.900 0.034 0.000 1.018 142 G CA 0.227 45.344 45.100 0.029 0.000 0.728 142 G HN 0.416 nan 8.290 nan 0.000 0.508 143 M N -0.131 119.492 119.600 0.039 0.000 2.240 143 M HA 0.298 4.778 4.480 -0.001 0.000 0.333 143 M C 1.191 177.523 176.300 0.053 0.000 1.110 143 M CA -0.199 55.132 55.300 0.052 0.000 1.173 143 M CB 1.138 33.781 32.600 0.071 0.000 1.458 143 M HN -0.055 nan 8.290 nan 0.000 0.458 144 V N 5.079 125.029 119.914 0.060 0.000 2.054 144 V HA 0.137 4.257 4.120 -0.001 0.000 0.243 144 V C -0.154 175.982 176.094 0.071 0.000 1.480 144 V CA 0.361 62.691 62.300 0.050 0.000 1.440 144 V CB -1.748 30.104 31.823 0.048 0.000 1.489 144 V HN 0.545 nan 8.190 nan 0.000 0.502 145 L N 1.562 122.821 121.223 0.060 0.000 2.424 145 L HA 0.798 5.137 4.340 -0.001 0.000 0.258 145 L C 0.736 177.634 176.870 0.047 0.000 0.995 145 L CA -0.546 54.346 54.840 0.087 0.000 0.821 145 L CB 2.027 44.158 42.059 0.120 0.000 1.383 145 L HN 0.448 nan 8.230 nan 0.000 0.410 146 G N 0.075 108.908 108.800 0.055 0.000 2.543 146 G HA2 0.422 4.381 3.960 -0.001 0.000 0.290 146 G HA3 0.422 4.381 3.960 -0.001 0.000 0.290 146 G C 0.306 175.225 174.900 0.031 0.000 1.310 146 G CA -0.339 44.775 45.100 0.022 0.000 1.025 146 G HN 0.706 nan 8.290 nan 0.000 0.502 147 R N -1.025 119.453 120.500 -0.036 0.000 2.225 147 R HA 0.087 4.426 4.340 -0.001 0.000 0.194 147 R C 2.333 178.474 176.300 -0.265 0.000 0.957 147 R CA 0.516 56.557 56.100 -0.098 0.000 1.042 147 R CB 0.183 30.451 30.300 -0.053 0.000 1.004 147 R HN 0.578 nan 8.270 nan 0.000 0.509 148 E N 0.608 120.651 120.200 -0.260 0.000 2.021 148 E HA -0.179 4.170 4.350 -0.001 0.000 0.200 148 E C 1.942 178.408 176.600 -0.223 0.000 1.015 148 E CA 1.600 57.821 56.400 -0.299 0.000 0.824 148 E CB -1.062 28.463 29.700 -0.292 0.000 0.762 148 E HN 0.333 nan 8.360 nan 0.000 0.454 149 G N 1.983 110.718 108.800 -0.108 0.000 2.802 149 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.222 149 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.222 149 G C -0.810 174.013 174.900 -0.129 0.000 1.248 149 G CA 1.752 46.818 45.100 -0.057 0.000 0.787 149 G HN 0.309 nan 8.290 nan 0.000 0.643 150 P HA -0.158 nan 4.420 nan 0.000 0.214 150 P C 2.439 179.535 177.300 -0.341 0.000 1.169 150 P CA 2.995 65.927 63.100 -0.281 0.000 0.908 150 P CB -0.550 30.865 31.700 -0.475 0.000 0.791 151 T N -3.394 110.902 114.554 -0.429 0.000 2.821 151 T HA -0.085 4.264 4.350 -0.001 0.000 0.267 151 T C 1.803 176.373 174.700 -0.218 0.000 1.046 151 T CA 1.268 63.160 62.100 -0.346 0.000 1.139 151 T CB -1.464 67.195 68.868 -0.350 0.000 0.871 151 T HN -0.136 nan 8.240 nan 0.000 0.454 152 V N 1.819 121.614 119.914 -0.198 0.000 2.270 152 V HA -0.179 3.940 4.120 -0.001 0.000 0.245 152 V C 2.950 178.986 176.094 -0.096 0.000 1.043 152 V CA 2.167 64.390 62.300 -0.129 0.000 1.014 152 V CB -1.000 30.747 31.823 -0.126 0.000 0.645 152 V HN 0.531 nan 8.190 nan 0.000 0.447 153 Q N -0.039 119.698 119.800 -0.105 0.000 2.030 153 Q HA -0.213 4.127 4.340 -0.001 0.000 0.204 153 Q C 2.207 178.159 176.000 -0.079 0.000 0.986 153 Q CA 2.349 58.102 55.803 -0.083 0.000 0.843 153 Q CB -0.297 28.392 28.738 -0.083 0.000 0.904 153 Q HN 0.624 nan 8.270 nan 0.000 0.420 154 I N 0.460 120.971 120.570 -0.099 0.000 2.194 154 I HA -0.279 3.890 4.170 -0.001 0.000 0.246 154 I C 2.314 178.383 176.117 -0.081 0.000 1.093 154 I CA 1.213 62.462 61.300 -0.085 0.000 1.355 154 I CB -0.744 37.193 38.000 -0.105 0.000 1.046 154 I HN 0.464 nan 8.210 nan 0.000 0.413 155 G N 0.464 109.208 108.800 -0.094 0.000 2.476 155 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.218 155 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.218 155 G C 1.704 176.568 174.900 -0.060 0.000 1.164 155 G CA 0.942 45.995 45.100 -0.079 0.000 0.768 155 G HN 0.509 nan 8.290 nan 0.000 0.560 156 G N 1.042 109.812 108.800 -0.049 0.000 2.459 156 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.217 156 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.217 156 G C 1.739 176.620 174.900 -0.031 0.000 1.183 156 G CA 1.247 46.326 45.100 -0.035 0.000 0.776 156 G HN 0.477 nan 8.290 nan 0.000 0.552 157 N N 0.610 119.295 118.700 -0.025 0.000 2.104 157 N HA -0.079 4.660 4.740 -0.001 0.000 0.190 157 N C 2.099 177.591 175.510 -0.029 0.000 1.024 157 N CA 0.862 53.918 53.050 0.009 0.000 0.853 157 N CB -0.165 38.342 38.487 0.033 0.000 1.008 157 N HN 0.196 nan 8.380 nan 0.000 0.424 158 I N 0.422 120.958 120.570 -0.057 0.000 2.208 158 I HA -0.166 4.003 4.170 -0.001 0.000 0.245 158 I C 2.284 178.325 176.117 -0.126 0.000 1.097 158 I CA 1.452 62.693 61.300 -0.099 0.000 1.363 158 I CB -1.582 36.364 38.000 -0.090 0.000 1.051 158 I HN 0.211 nan 8.210 nan 0.000 0.413 159 G N 0.347 109.092 108.800 -0.092 0.000 2.422 159 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.218 159 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.218 159 G C 1.855 176.700 174.900 -0.092 0.000 1.140 159 G CA 0.678 45.728 45.100 -0.084 0.000 0.775 159 G HN 0.251 nan 8.290 nan 0.000 0.545 160 R N 0.099 120.544 120.500 -0.092 0.000 2.090 160 R HA 0.154 4.493 4.340 -0.001 0.000 0.228 160 R C 2.406 178.546 176.300 -0.267 0.000 1.110 160 R CA 1.493 57.541 56.100 -0.086 0.000 0.973 160 R CB -0.604 29.703 30.300 0.012 0.000 0.869 160 R HN 0.367 nan 8.270 nan 0.000 0.440 161 M N 0.235 119.527 119.600 -0.513 0.000 2.065 161 M HA -0.164 4.315 4.480 -0.001 0.000 0.259 161 M C 1.877 177.846 176.300 -0.553 0.000 1.069 161 M CA 2.483 57.145 55.300 -1.062 0.000 1.110 161 M CB -0.153 31.827 32.600 -1.033 0.000 1.328 161 M HN 0.162 nan 8.290 nan 0.000 0.405 162 V N -0.638 119.127 119.914 -0.248 0.000 2.759 162 V HA -0.155 3.964 4.120 -0.001 0.000 0.256 162 V C 2.097 178.259 176.094 0.114 0.000 1.080 162 V CA 1.426 63.747 62.300 0.035 0.000 1.101 162 V CB -1.198 30.657 31.823 0.054 0.000 0.698 162 V HN 0.627 nan 8.190 nan 0.000 0.477 163 L N 1.145 122.358 121.223 -0.016 0.000 2.027 163 L HA -0.010 4.329 4.340 -0.001 0.000 0.206 163 L C 2.154 179.044 176.870 0.033 0.000 1.074 163 L CA 2.452 57.304 54.840 0.020 0.000 0.745 163 L CB -0.797 41.258 42.059 -0.007 0.000 0.898 163 L HN 0.245 nan 8.230 nan 0.000 0.433 164 D N 0.023 120.406 120.400 -0.028 0.000 2.077 164 D HA -0.171 4.468 4.640 -0.001 0.000 0.196 164 D C 2.344 178.629 176.300 -0.024 0.000 0.986 164 D CA 1.997 56.008 54.000 0.018 0.000 0.829 164 D CB -0.297 40.567 40.800 0.107 0.000 0.983 164 D HN 0.403 nan 8.370 nan 0.000 0.453 165 I N -0.122 120.360 120.570 -0.146 0.000 2.185 165 I HA -0.290 3.879 4.170 -0.001 0.000 0.246 165 I C 1.357 177.268 176.117 -0.343 0.000 1.088 165 I CA 1.167 62.304 61.300 -0.273 0.000 1.347 165 I CB -0.169 37.568 38.000 -0.438 0.000 1.041 165 I HN -0.058 nan 8.210 nan 0.000 0.415 166 F N 0.664 120.586 119.950 -0.047 0.000 2.660 166 F HA 0.224 4.751 4.527 -0.001 0.000 0.302 166 F C 0.646 176.441 175.800 -0.008 0.000 1.103 166 F CA -0.372 57.617 58.000 -0.018 0.000 1.340 166 F CB -0.119 38.875 39.000 -0.011 0.000 1.048 166 F HN -0.139 nan 8.300 nan 0.000 0.551 167 R N 1.700 122.258 120.500 0.097 0.000 2.828 167 R HA -0.197 4.142 4.340 -0.001 0.000 0.233 167 R C -0.428 175.917 176.300 0.075 0.000 0.821 167 R CA 0.335 56.476 56.100 0.069 0.000 0.563 167 R CB -1.993 28.332 30.300 0.042 0.000 1.117 167 R HN 0.421 nan 8.270 nan 0.000 0.508 168 L N 0.722 121.992 121.223 0.078 0.000 2.371 168 L HA 0.250 4.589 4.340 -0.001 0.000 0.272 168 L C 1.072 177.959 176.870 0.028 0.000 1.124 168 L CA -0.029 54.843 54.840 0.053 0.000 0.816 168 L CB 0.868 42.953 42.059 0.045 0.000 1.129 168 L HN 0.121 nan 8.230 nan 0.000 0.448 169 K N 1.349 121.760 120.400 0.019 0.000 2.123 169 K HA 0.703 5.022 4.320 -0.001 0.000 0.259 169 K C -0.250 176.346 176.600 -0.007 0.000 0.960 169 K CA 0.029 56.320 56.287 0.007 0.000 0.872 169 K CB 1.635 34.140 32.500 0.010 0.000 1.079 169 K HN 0.771 nan 8.250 nan 0.000 0.440 170 G N 2.220 111.008 108.800 -0.020 0.000 2.440 170 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.684 170 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.684 170 G C -0.380 174.476 174.900 -0.073 0.000 1.309 170 G CA -0.582 44.499 45.100 -0.033 0.000 0.931 170 G HN 0.638 nan 8.290 nan 0.000 0.612 171 D N -0.392 119.957 120.400 -0.086 0.000 2.120 171 D HA -0.020 4.619 4.640 -0.001 0.000 0.202 171 D C 2.034 178.247 176.300 -0.145 0.000 0.972 171 D CA 1.373 55.270 54.000 -0.170 0.000 0.837 171 D CB -0.025 40.719 40.800 -0.093 0.000 0.989 171 D HN 0.626 nan 8.370 nan 0.000 0.469 172 E N 0.723 120.893 120.200 -0.049 0.000 2.013 172 E HA -0.222 4.127 4.350 -0.001 0.000 0.202 172 E C 1.981 178.571 176.600 -0.017 0.000 1.018 172 E CA 1.395 57.787 56.400 -0.014 0.000 0.834 172 E CB -0.072 29.623 29.700 -0.009 0.000 0.770 172 E HN 0.132 nan 8.360 nan 0.000 0.459 173 A N 0.973 123.778 122.820 -0.026 0.000 2.032 173 A HA -0.232 4.087 4.320 -0.001 0.000 0.221 173 A C 2.152 179.717 177.584 -0.031 0.000 1.165 173 A CA 1.748 53.772 52.037 -0.021 0.000 0.645 173 A CB -0.556 18.436 19.000 -0.014 0.000 0.807 173 A HN 0.251 nan 8.150 nan 0.000 0.453 174 R N -1.623 118.833 120.500 -0.073 0.000 2.062 174 R HA -0.057 4.282 4.340 -0.001 0.000 0.226 174 R C 2.025 178.293 176.300 -0.054 0.000 1.125 174 R CA 1.406 57.448 56.100 -0.096 0.000 0.966 174 R CB -0.328 29.864 30.300 -0.180 0.000 0.861 174 R HN 0.751 nan 8.270 nan 0.000 0.433 175 H N -1.159 117.894 119.070 -0.028 0.000 2.395 175 H HA -0.015 4.540 4.556 -0.001 0.000 0.299 175 H C 1.862 177.163 175.328 -0.044 0.000 1.070 175 H CA 1.592 57.615 56.048 -0.041 0.000 1.356 175 H CB 0.281 30.008 29.762 -0.060 0.000 1.401 175 H HN 0.192 nan 8.280 nan 0.000 0.524 176 T N 1.009 115.612 114.554 0.082 0.000 2.668 176 T HA -0.093 4.256 4.350 -0.001 0.000 0.262 176 T C 2.037 176.743 174.700 0.011 0.000 1.045 176 T CA 0.872 62.990 62.100 0.029 0.000 1.152 176 T CB -0.218 68.657 68.868 0.012 0.000 0.864 176 T HN 0.206 nan 8.240 nan 0.000 0.419 177 L N 0.746 121.968 121.223 -0.001 0.000 2.362 177 L HA 0.009 4.349 4.340 -0.001 0.000 0.219 177 L C 2.375 179.234 176.870 -0.018 0.000 1.134 177 L CA 0.670 55.498 54.840 -0.020 0.000 0.807 177 L CB -0.626 41.412 42.059 -0.035 0.000 0.927 177 L HN 0.248 nan 8.230 nan 0.000 0.447 178 L N 0.201 121.426 121.223 0.003 0.000 2.131 178 L HA -0.020 4.319 4.340 -0.001 0.000 0.206 178 L C 2.602 179.470 176.870 -0.003 0.000 1.087 178 L CA 1.746 56.590 54.840 0.006 0.000 0.767 178 L CB -0.444 41.639 42.059 0.040 0.000 0.917 178 L HN 0.088 nan 8.230 nan 0.000 0.441 179 A N -1.024 121.795 122.820 -0.001 0.000 1.854 179 A HA -0.178 4.141 4.320 -0.001 0.000 0.214 179 A C 2.406 179.983 177.584 -0.011 0.000 1.192 179 A CA 2.052 54.078 52.037 -0.018 0.000 0.611 179 A CB -1.406 17.576 19.000 -0.029 0.000 0.832 179 A HN 0.568 nan 8.150 nan 0.000 0.442 180 T N -1.853 112.696 114.554 -0.008 0.000 2.759 180 T HA -0.029 4.321 4.350 -0.001 0.000 0.269 180 T C 1.860 176.548 174.700 -0.020 0.000 1.042 180 T CA 2.029 64.125 62.100 -0.007 0.000 1.140 180 T CB -0.846 68.017 68.868 -0.009 0.000 0.864 180 T HN 0.419 nan 8.240 nan 0.000 0.455 181 G N 0.962 109.744 108.800 -0.030 0.000 2.418 181 G HA2 0.079 4.038 3.960 -0.001 0.000 0.217 181 G HA3 0.079 4.038 3.960 -0.001 0.000 0.217 181 G C 1.990 176.869 174.900 -0.035 0.000 1.158 181 G CA 0.877 45.952 45.100 -0.042 0.000 0.771 181 G HN 0.777 nan 8.290 nan 0.000 0.545 182 A N 1.046 123.855 122.820 -0.018 0.000 1.933 182 A HA 0.273 4.593 4.320 -0.001 0.000 0.218 182 A C 2.776 180.380 177.584 0.033 0.000 1.175 182 A CA 2.277 54.317 52.037 0.004 0.000 0.628 182 A CB -0.677 18.335 19.000 0.020 0.000 0.814 182 A HN 0.720 nan 8.150 nan 0.000 0.444 183 A N -0.156 122.685 122.820 0.034 0.000 1.854 183 A HA 0.256 4.575 4.320 -0.001 0.000 0.214 183 A C 2.495 180.076 177.584 -0.005 0.000 1.192 183 A CA 1.813 53.879 52.037 0.047 0.000 0.611 183 A CB -1.155 17.869 19.000 0.041 0.000 0.832 183 A HN 1.130 nan 8.150 nan 0.000 0.442 184 A N -0.475 122.329 122.820 -0.027 0.000 2.084 184 A HA 0.077 4.396 4.320 -0.001 0.000 0.221 184 A C 2.230 179.777 177.584 -0.062 0.000 1.161 184 A CA 1.938 53.947 52.037 -0.047 0.000 0.653 184 A CB -1.171 17.800 19.000 -0.048 0.000 0.802 184 A HN 0.706 nan 8.150 nan 0.000 0.457 185 G N -0.455 108.305 108.800 -0.067 0.000 2.394 185 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.214 185 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.214 185 G C 1.461 176.276 174.900 -0.142 0.000 1.176 185 G CA 0.992 46.028 45.100 -0.107 0.000 0.786 185 G HN 0.460 nan 8.290 nan 0.000 0.533 186 L N 1.106 122.261 121.223 -0.114 0.000 2.072 186 L HA 0.247 4.586 4.340 -0.001 0.000 0.205 186 L C 3.123 179.972 176.870 -0.035 0.000 1.079 186 L CA 1.897 56.665 54.840 -0.119 0.000 0.752 186 L CB -0.494 41.477 42.059 -0.146 0.000 0.906 186 L HN 0.234 nan 8.230 nan 0.000 0.436 187 A N -0.171 122.622 122.820 -0.045 0.000 1.859 187 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 187 A C 2.403 179.903 177.584 -0.139 0.000 1.198 187 A CA 2.092 54.092 52.037 -0.062 0.000 0.629 187 A CB -1.387 17.569 19.000 -0.073 0.000 0.830 187 A HN 0.538 nan 8.150 nan 0.000 0.446 188 A N -0.866 121.875 122.820 -0.131 0.000 2.125 188 A HA 0.254 4.574 4.320 -0.001 0.000 0.219 188 A C 2.200 179.656 177.584 -0.213 0.000 1.156 188 A CA 1.795 53.753 52.037 -0.131 0.000 0.671 188 A CB -0.650 18.341 19.000 -0.015 0.000 0.794 188 A HN 1.091 nan 8.150 nan 0.000 0.459 189 A N -2.353 120.296 122.820 -0.285 0.000 2.132 189 A HA 0.430 4.749 4.320 -0.001 0.000 0.213 189 A C 1.218 178.422 177.584 -0.633 0.000 1.154 189 A CA 0.597 52.362 52.037 -0.454 0.000 0.753 189 A CB -0.174 18.447 19.000 -0.632 0.000 0.826 189 A HN 0.485 nan 8.150 nan 0.000 0.469 190 F N -1.680 118.135 119.950 -0.225 0.000 2.838 190 F HA 0.228 4.754 4.527 -0.002 0.000 0.329 190 F C 0.864 176.455 175.800 -0.349 0.000 1.116 190 F CA -0.266 57.605 58.000 -0.215 0.000 1.155 190 F CB 0.493 39.422 39.000 -0.118 0.000 1.106 190 F HN 0.182 nan 8.300 nan 0.000 0.538 191 N N 2.015 120.421 118.700 -0.490 0.000 2.678 191 N HA -0.245 4.494 4.740 -0.001 0.000 0.249 191 N C -0.381 175.015 175.510 -0.189 0.000 1.119 191 N CA 0.780 53.512 53.050 -0.530 0.000 0.718 191 N CB -0.744 37.447 38.487 -0.493 0.000 1.060 191 N HN 0.328 nan 8.380 nan 0.000 0.552 192 A N -0.355 122.405 122.820 -0.100 0.000 2.786 192 A HA 0.557 4.876 4.320 -0.001 0.000 0.346 192 A C -1.360 176.185 177.584 -0.064 0.000 1.265 192 A CA -1.172 50.832 52.037 -0.054 0.000 0.858 192 A CB 0.993 19.980 19.000 -0.021 0.000 1.118 192 A HN 0.123 nan 8.150 nan 0.000 0.482 193 P HA -0.193 nan 4.420 nan 0.000 0.213 193 P C 1.564 178.789 177.300 -0.124 0.000 1.170 193 P CA 1.051 64.076 63.100 -0.126 0.000 0.898 193 P CB 0.071 31.675 31.700 -0.159 0.000 0.787 194 L N -1.257 119.905 121.223 -0.101 0.000 2.083 194 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 194 L C 2.490 179.354 176.870 -0.010 0.000 1.083 194 L CA 1.578 56.383 54.840 -0.058 0.000 0.752 194 L CB -1.277 40.764 42.059 -0.031 0.000 0.899 194 L HN -0.038 nan 8.230 nan 0.000 0.433 195 A N 0.582 123.394 122.820 -0.014 0.000 1.898 195 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 195 A C 2.443 180.063 177.584 0.059 0.000 1.181 195 A CA 1.629 53.673 52.037 0.011 0.000 0.620 195 A CB -1.193 17.782 19.000 -0.042 0.000 0.819 195 A HN 0.421 nan 8.150 nan 0.000 0.442 196 G N 0.345 109.164 108.800 0.032 0.000 2.459 196 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.217 196 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.217 196 G C 1.510 176.478 174.900 0.113 0.000 1.183 196 G CA 1.289 46.429 45.100 0.066 0.000 0.776 196 G HN 0.484 nan 8.290 nan 0.000 0.552 197 I N 0.423 121.029 120.570 0.059 0.000 2.099 197 I HA -0.139 4.030 4.170 -0.001 0.000 0.239 197 I C 2.632 178.812 176.117 0.104 0.000 1.066 197 I CA 0.635 61.987 61.300 0.087 0.000 1.324 197 I CB -0.343 37.725 38.000 0.114 0.000 1.037 197 I HN 0.034 nan 8.210 nan 0.000 0.401 198 L N -0.067 121.221 121.223 0.107 0.000 2.129 198 L HA -0.253 4.086 4.340 -0.001 0.000 0.212 198 L C 2.575 179.528 176.870 0.137 0.000 1.087 198 L CA 1.972 56.873 54.840 0.102 0.000 0.757 198 L CB -1.113 41.000 42.059 0.089 0.000 0.896 198 L HN 0.304 nan 8.230 nan 0.000 0.434 199 F N 0.641 120.604 119.950 0.021 0.000 2.134 199 F HA -0.225 4.302 4.527 -0.001 0.000 0.299 199 F C 2.298 178.109 175.800 0.018 0.000 1.097 199 F CA 1.240 59.261 58.000 0.034 0.000 1.264 199 F CB -0.243 38.769 39.000 0.020 0.000 1.001 199 F HN -0.059 nan 8.300 nan 0.000 0.479 200 I N 0.949 121.439 120.570 -0.134 0.000 2.252 200 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 200 I C 2.129 178.130 176.117 -0.193 0.000 1.102 200 I CA 1.422 62.577 61.300 -0.243 0.000 1.385 200 I CB -0.647 37.301 38.000 -0.088 0.000 1.064 200 I HN 0.334 nan 8.210 nan 0.000 0.414 201 I N -2.873 117.642 120.570 -0.091 0.000 3.806 201 I HA 0.153 4.322 4.170 -0.001 0.000 0.321 201 I C 1.481 177.554 176.117 -0.073 0.000 1.315 201 I CA 0.645 61.900 61.300 -0.074 0.000 1.148 201 I CB -0.154 37.830 38.000 -0.027 0.000 1.028 201 I HN 0.223 nan 8.210 nan 0.000 0.415 202 E N 0.082 120.225 120.200 -0.096 0.000 2.713 202 E HA 0.077 4.426 4.350 -0.001 0.000 0.201 202 E C 1.061 177.597 176.600 -0.108 0.000 0.935 202 E CA 0.021 56.381 56.400 -0.066 0.000 1.273 202 E CB 0.561 30.265 29.700 0.007 0.000 1.221 202 E HN 0.584 nan 8.360 nan 0.000 0.547 203 Q N -0.486 119.204 119.800 -0.183 0.000 3.060 203 Q HA 0.170 4.509 4.340 -0.001 0.000 0.211 203 Q C 1.032 176.834 176.000 -0.329 0.000 1.164 203 Q CA -0.295 55.374 55.803 -0.223 0.000 0.373 203 Q CB 0.474 29.107 28.738 -0.176 0.000 5.666 203 Q HN 0.064 nan 8.270 nan 0.000 0.318 204 M N -0.481 118.872 119.600 -0.412 0.000 2.685 204 M HA -0.315 4.164 4.480 -0.001 0.000 0.116 204 M C 0.490 176.642 176.300 -0.246 0.000 0.734 204 M CA 1.851 56.929 55.300 -0.369 0.000 0.428 204 M CB -2.131 30.158 32.600 -0.519 0.000 1.615 204 M HN 0.641 nan 8.290 nan 0.000 0.245 205 R N 1.621 121.977 120.500 -0.240 0.000 2.389 205 R HA 0.465 4.804 4.340 -0.001 0.000 0.295 205 R C -2.499 173.662 176.300 -0.233 0.000 1.075 205 R CA -1.408 54.562 56.100 -0.217 0.000 1.005 205 R CB -0.263 29.923 30.300 -0.190 0.000 0.987 205 R HN 0.026 nan 8.270 nan 0.000 0.452 206 P HA -0.102 nan 4.420 nan 0.000 0.247 206 P C -0.513 176.572 177.300 -0.358 0.000 1.141 206 P CA 0.475 63.462 63.100 -0.189 0.000 0.858 206 P CB 0.433 32.074 31.700 -0.099 0.000 0.804 207 Q N 1.887 121.200 119.800 -0.812 0.000 2.431 207 Q HA 0.078 4.418 4.340 -0.001 0.000 0.210 207 Q C 0.164 175.643 176.000 -0.869 0.000 0.958 207 Q CA 1.003 56.275 55.803 -0.884 0.000 0.957 207 Q CB -0.355 27.804 28.738 -0.966 0.000 1.007 207 Q HN 0.475 nan 8.270 nan 0.000 0.511 208 F N -1.815 118.130 119.950 -0.008 0.000 2.819 208 F HA 0.290 4.816 4.527 -0.001 0.000 0.325 208 F C 0.524 176.334 175.800 0.017 0.000 1.041 208 F CA -0.767 57.236 58.000 0.004 0.000 1.184 208 F CB 0.434 39.436 39.000 0.002 0.000 1.019 208 F HN -0.132 nan 8.300 nan 0.000 0.590 209 R N -0.395 120.191 120.500 0.144 0.000 2.836 209 R HA 0.438 4.778 4.340 -0.001 0.000 0.269 209 R C -1.485 174.871 176.300 0.093 0.000 1.010 209 R CA -0.963 55.212 56.100 0.125 0.000 0.930 209 R CB 1.102 31.480 30.300 0.130 0.000 1.218 209 R HN 0.032 nan 8.270 nan 0.000 0.473 210 Y N 1.510 121.809 120.300 -0.002 0.000 2.402 210 Y HA 0.324 4.873 4.550 -0.001 0.000 0.333 210 Y C -1.067 174.824 175.900 -0.015 0.000 1.076 210 Y CA 0.240 58.330 58.100 -0.017 0.000 1.299 210 Y CB 1.201 39.658 38.460 -0.006 0.000 1.197 210 Y HN 0.687 nan 8.280 nan 0.000 0.517 211 T N 6.563 120.824 114.554 -0.489 0.000 2.918 211 T HA 0.345 4.694 4.350 -0.001 0.000 0.286 211 T C -0.052 174.301 174.700 -0.577 0.000 1.026 211 T CA -0.850 60.961 62.100 -0.481 0.000 1.031 211 T CB 1.597 70.256 68.868 -0.348 0.000 1.046 211 T HN 0.629 nan 8.240 nan 0.000 0.479 212 L N 1.604 122.624 121.223 -0.338 0.000 2.888 212 L HA 0.351 4.690 4.340 -0.001 0.000 0.237 212 L C -0.145 176.673 176.870 -0.087 0.000 1.288 212 L CA 0.113 54.826 54.840 -0.213 0.000 1.110 212 L CB -0.795 41.197 42.059 -0.111 0.000 1.441 212 L HN 0.559 nan 8.230 nan 0.000 0.474 213 I N -0.683 119.823 120.570 -0.106 0.000 2.483 213 I HA -0.012 4.157 4.170 -0.001 0.000 0.291 213 I C 1.024 177.117 176.117 -0.041 0.000 1.112 213 I CA 0.217 61.483 61.300 -0.057 0.000 1.350 213 I CB 0.334 38.285 38.000 -0.082 0.000 1.419 213 I HN 0.115 nan 8.210 nan 0.000 0.523 214 S N 6.227 121.915 115.700 -0.020 0.000 2.429 214 S HA 0.229 4.698 4.470 -0.001 0.000 0.292 214 S C 1.232 175.826 174.600 -0.010 0.000 1.183 214 S CA -0.433 57.758 58.200 -0.015 0.000 1.088 214 S CB 0.074 63.270 63.200 -0.007 0.000 1.018 214 S HN 0.532 nan 8.310 nan 0.000 0.511 215 I N 5.039 125.595 120.570 -0.023 0.000 2.394 215 I HA -0.116 4.053 4.170 -0.001 0.000 0.251 215 I C 2.489 178.589 176.117 -0.029 0.000 1.136 215 I CA 1.018 62.307 61.300 -0.019 0.000 1.425 215 I CB -0.129 37.844 38.000 -0.046 0.000 1.079 215 I HN 0.629 nan 8.210 nan 0.000 0.425 216 K N 1.151 121.507 120.400 -0.073 0.000 2.147 216 K HA -0.175 4.145 4.320 -0.001 0.000 0.205 216 K C 2.125 178.749 176.600 0.040 0.000 1.049 216 K CA 1.410 57.648 56.287 -0.082 0.000 0.936 216 K CB -0.038 32.411 32.500 -0.084 0.000 0.722 216 K HN 0.328 nan 8.250 nan 0.000 0.446 217 A N 0.509 123.350 122.820 0.035 0.000 1.929 217 A HA -0.049 4.270 4.320 -0.001 0.000 0.216 217 A C 2.141 179.766 177.584 0.068 0.000 1.176 217 A CA 1.113 53.176 52.037 0.043 0.000 0.628 217 A CB -0.378 18.632 19.000 0.016 0.000 0.816 217 A HN 0.141 nan 8.150 nan 0.000 0.444 218 V N -0.963 119.002 119.914 0.086 0.000 2.332 218 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 218 V C 2.239 178.425 176.094 0.153 0.000 1.055 218 V CA 2.083 64.442 62.300 0.098 0.000 1.038 218 V CB -1.105 30.780 31.823 0.103 0.000 0.651 218 V HN 0.495 nan 8.190 nan 0.000 0.450 219 F N 0.419 120.359 119.950 -0.017 0.000 2.025 219 F HA -0.224 4.302 4.527 -0.001 0.000 0.297 219 F C 2.265 178.054 175.800 -0.017 0.000 1.132 219 F CA 1.920 59.912 58.000 -0.014 0.000 1.191 219 F CB -0.713 38.280 39.000 -0.012 0.000 0.963 219 F HN 0.037 nan 8.300 nan 0.000 0.481 220 I N -0.472 120.202 120.570 0.173 0.000 2.248 220 I HA -0.317 3.852 4.170 -0.001 0.000 0.248 220 I C 2.678 178.795 176.117 -0.001 0.000 1.107 220 I CA 1.469 62.808 61.300 0.064 0.000 1.373 220 I CB -1.405 36.624 38.000 0.048 0.000 1.055 220 I HN 0.262 nan 8.210 nan 0.000 0.418 221 G N 0.789 109.587 108.800 -0.004 0.000 2.433 221 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.216 221 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.216 221 G C 1.712 176.583 174.900 -0.047 0.000 1.186 221 G CA 1.024 46.103 45.100 -0.034 0.000 0.779 221 G HN 0.250 nan 8.290 nan 0.000 0.543 222 V N 1.319 121.196 119.914 -0.061 0.000 2.332 222 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 222 V C 2.830 178.859 176.094 -0.109 0.000 1.055 222 V CA 1.774 64.014 62.300 -0.099 0.000 1.038 222 V CB -0.460 31.267 31.823 -0.161 0.000 0.651 222 V HN 0.416 nan 8.190 nan 0.000 0.450 223 I N -0.885 119.612 120.570 -0.121 0.000 2.099 223 I HA -0.305 3.864 4.170 -0.001 0.000 0.239 223 I C 2.610 178.701 176.117 -0.042 0.000 1.066 223 I CA 1.624 62.870 61.300 -0.090 0.000 1.324 223 I CB -0.474 37.486 38.000 -0.066 0.000 1.037 223 I HN 0.243 nan 8.210 nan 0.000 0.401 224 M N 0.502 120.081 119.600 -0.035 0.000 2.108 224 M HA -0.175 4.304 4.480 -0.001 0.000 0.261 224 M C 2.655 178.954 176.300 -0.002 0.000 1.066 224 M CA 2.222 57.509 55.300 -0.021 0.000 1.107 224 M CB -1.600 30.976 32.600 -0.040 0.000 1.356 224 M HN 0.447 nan 8.290 nan 0.000 0.406 225 S N -1.108 114.586 115.700 -0.010 0.000 2.453 225 S HA -0.065 4.404 4.470 -0.001 0.000 0.231 225 S C 1.841 176.474 174.600 0.055 0.000 1.005 225 S CA 1.446 59.654 58.200 0.013 0.000 0.949 225 S CB -0.512 62.678 63.200 -0.016 0.000 0.774 225 S HN 0.448 nan 8.310 nan 0.000 0.510 226 T N 2.631 117.201 114.554 0.027 0.000 2.770 226 T HA 0.192 4.541 4.350 -0.001 0.000 0.263 226 T C 1.693 176.465 174.700 0.120 0.000 1.039 226 T CA 1.303 63.436 62.100 0.056 0.000 1.142 226 T CB -0.403 68.456 68.868 -0.015 0.000 0.868 226 T HN 0.380 nan 8.240 nan 0.000 0.435 227 I N 1.111 121.722 120.570 0.068 0.000 2.163 227 I HA -0.217 3.953 4.170 -0.001 0.000 0.243 227 I C 2.505 178.684 176.117 0.104 0.000 1.085 227 I CA 1.097 62.436 61.300 0.065 0.000 1.347 227 I CB -0.343 37.673 38.000 0.027 0.000 1.044 227 I HN 0.196 nan 8.210 nan 0.000 0.408 228 M N -0.524 119.148 119.600 0.121 0.000 2.149 228 M HA -0.264 4.215 4.480 -0.001 0.000 0.261 228 M C 2.410 178.870 176.300 0.267 0.000 1.064 228 M CA 1.895 57.307 55.300 0.186 0.000 1.102 228 M CB -1.426 31.255 32.600 0.135 0.000 1.369 228 M HN 0.315 nan 8.290 nan 0.000 0.408 229 Y N 0.955 121.323 120.300 0.114 0.000 2.200 229 Y HA -0.115 4.434 4.550 -0.002 0.000 0.290 229 Y C 2.389 178.377 175.900 0.147 0.000 1.137 229 Y CA 1.616 59.789 58.100 0.121 0.000 1.163 229 Y CB -0.041 38.453 38.460 0.057 0.000 0.988 229 Y HN 0.073 nan 8.280 nan 0.000 0.518 230 R N 0.027 120.655 120.500 0.213 0.000 2.189 230 R HA -0.076 4.263 4.340 -0.001 0.000 0.218 230 R C 1.995 178.306 176.300 0.017 0.000 1.074 230 R CA 0.931 57.105 56.100 0.122 0.000 0.991 230 R CB -0.246 30.145 30.300 0.153 0.000 0.883 230 R HN 0.421 nan 8.270 nan 0.000 0.457 231 I N -0.092 120.469 120.570 -0.015 0.000 2.226 231 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 231 I C 1.660 177.597 176.117 -0.300 0.000 1.100 231 I CA 1.667 62.840 61.300 -0.212 0.000 1.374 231 I CB -0.646 37.173 38.000 -0.302 0.000 1.057 231 I HN 0.021 nan 8.210 nan 0.000 0.413 232 F N 0.258 120.170 119.950 -0.063 0.000 2.731 232 F HA 0.147 4.673 4.527 -0.002 0.000 0.298 232 F C 1.226 176.957 175.800 -0.115 0.000 1.106 232 F CA 0.198 58.162 58.000 -0.060 0.000 1.329 232 F CB -0.042 38.907 39.000 -0.085 0.000 1.100 232 F HN 0.063 nan 8.300 nan 0.000 0.592 233 N N -0.719 117.917 118.700 -0.106 0.000 2.365 233 N HA -0.009 4.730 4.740 -0.001 0.000 0.257 233 N C -0.085 175.342 175.510 -0.138 0.000 1.287 233 N CA -0.112 52.780 53.050 -0.263 0.000 0.882 233 N CB -0.202 37.827 38.487 -0.764 0.000 1.250 233 N HN 0.280 nan 8.380 nan 0.000 0.507 234 H N 0.755 119.762 119.070 -0.104 0.000 2.822 234 H HA 0.104 4.660 4.556 -0.001 0.000 0.373 234 H C 0.321 175.640 175.328 -0.016 0.000 1.223 234 H CA 0.755 56.779 56.048 -0.040 0.000 1.436 234 H CB 0.760 30.493 29.762 -0.048 0.000 1.439 234 H HN 0.145 nan 8.280 nan 0.000 0.618 235 E N -1.347 118.845 120.200 -0.014 0.000 3.870 235 E HA -0.186 4.163 4.350 -0.001 0.000 0.329 235 E C -0.763 175.797 176.600 -0.066 0.000 0.702 235 E CA 1.244 57.606 56.400 -0.062 0.000 1.174 235 E CB -0.937 28.681 29.700 -0.137 0.000 1.619 235 E HN 0.444 nan 8.360 nan 0.000 0.441 236 V N 0.182 120.059 119.914 -0.062 0.000 2.483 236 V HA 0.663 4.783 4.120 -0.001 0.000 0.297 236 V C 0.155 176.266 176.094 0.028 0.000 1.027 236 V CA -0.152 62.134 62.300 -0.024 0.000 0.855 236 V CB 1.689 33.488 31.823 -0.041 0.000 0.995 236 V HN 0.261 nan 8.190 nan 0.000 0.424 237 A N 3.941 126.778 122.820 0.028 0.000 2.302 237 A HA 0.730 5.049 4.320 -0.001 0.000 0.285 237 A C 0.954 178.545 177.584 0.012 0.000 1.105 237 A CA -0.454 51.604 52.037 0.034 0.000 0.816 237 A CB 0.619 19.628 19.000 0.014 0.000 1.067 237 A HN 0.891 nan 8.150 nan 0.000 0.489 238 L N 0.460 121.670 121.223 -0.021 0.000 2.056 238 L HA 0.044 4.383 4.340 -0.001 0.000 0.207 238 L C 0.035 176.801 176.870 -0.172 0.000 1.078 238 L CA 1.276 56.039 54.840 -0.127 0.000 0.749 238 L CB -0.237 41.664 42.059 -0.264 0.000 0.901 238 L HN 0.572 nan 8.230 nan 0.000 0.433 239 I N -0.437 120.053 120.570 -0.134 0.000 2.439 239 I HA 0.194 4.363 4.170 -0.001 0.000 0.285 239 I C -1.065 175.036 176.117 -0.025 0.000 1.021 239 I CA -0.453 60.802 61.300 -0.074 0.000 1.091 239 I CB 1.990 39.942 38.000 -0.081 0.000 1.242 239 I HN -0.141 nan 8.210 nan 0.000 0.439 240 D N 5.117 125.516 120.400 -0.001 0.000 2.278 240 D HA 0.451 5.090 4.640 -0.001 0.000 0.245 240 D C -0.189 176.121 176.300 0.017 0.000 1.052 240 D CA -0.080 53.924 54.000 0.008 0.000 0.834 240 D CB 2.518 43.324 40.800 0.009 0.000 1.194 240 D HN 0.254 nan 8.370 nan 0.000 0.481 241 V N 2.365 122.289 119.914 0.017 0.000 3.400 241 V HA 0.394 4.513 4.120 -0.001 0.000 0.281 241 V C 0.674 176.780 176.094 0.020 0.000 1.617 241 V CA 0.895 63.209 62.300 0.024 0.000 1.044 241 V CB -0.316 31.525 31.823 0.030 0.000 0.858 241 V HN 0.936 nan 8.190 nan 0.000 0.425 242 G N 1.901 110.711 108.800 0.016 0.000 2.880 242 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.617 242 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.617 242 G C -0.452 174.457 174.900 0.015 0.000 1.493 242 G CA 0.216 45.324 45.100 0.014 0.000 0.916 242 G HN 0.622 nan 8.290 nan 0.000 0.553 243 K N 0.690 121.098 120.400 0.014 0.000 2.315 243 K HA 0.430 4.749 4.320 -0.001 0.000 0.291 243 K C 1.124 177.731 176.600 0.012 0.000 1.074 243 K CA -0.456 55.838 56.287 0.012 0.000 0.936 243 K CB 0.003 32.510 32.500 0.013 0.000 1.049 243 K HN 0.418 nan 8.250 nan 0.000 0.471 244 L N 2.336 123.565 121.223 0.010 0.000 2.470 244 L HA 0.201 4.540 4.340 -0.001 0.000 0.243 244 L C 0.810 177.686 176.870 0.009 0.000 1.227 244 L CA 0.130 54.979 54.840 0.015 0.000 0.824 244 L CB 0.290 42.357 42.059 0.014 0.000 1.175 244 L HN 0.892 nan 8.230 nan 0.000 0.503 245 S N -0.581 115.130 115.700 0.019 0.000 2.596 245 S HA 0.144 4.613 4.470 -0.001 0.000 0.260 245 S C -0.149 174.447 174.600 -0.007 0.000 1.336 245 S CA -0.807 57.403 58.200 0.017 0.000 0.993 245 S CB 0.698 63.923 63.200 0.042 0.000 0.923 245 S HN 0.461 nan 8.310 nan 0.000 0.567 246 D N 0.397 120.791 120.400 -0.009 0.000 2.433 246 D HA 0.606 5.246 4.640 -0.001 0.000 0.255 246 D C -0.318 175.962 176.300 -0.034 0.000 1.226 246 D CA -0.081 53.898 54.000 -0.035 0.000 1.015 246 D CB 0.696 41.480 40.800 -0.026 0.000 1.091 246 D HN 0.819 nan 8.370 nan 0.000 0.527 247 A N 0.960 123.741 122.820 -0.065 0.000 2.363 247 A HA 0.564 4.883 4.320 -0.001 0.000 0.296 247 A C -2.489 175.079 177.584 -0.027 0.000 1.237 247 A CA -1.177 50.828 52.037 -0.053 0.000 0.773 247 A CB 0.590 19.496 19.000 -0.156 0.000 1.153 247 A HN 0.251 nan 8.150 nan 0.000 0.473 248 P HA 0.320 nan 4.420 nan 0.000 0.275 248 P C 0.966 178.288 177.300 0.037 0.000 1.228 248 P CA -0.540 62.583 63.100 0.038 0.000 0.786 248 P CB 0.688 32.438 31.700 0.084 0.000 0.927 249 L N 1.180 122.428 121.223 0.041 0.000 2.013 249 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 249 L C 1.970 178.893 176.870 0.088 0.000 1.073 249 L CA 1.859 56.729 54.840 0.050 0.000 0.753 249 L CB -0.962 41.123 42.059 0.043 0.000 0.890 249 L HN 0.525 nan 8.230 nan 0.000 0.432 250 N N -1.303 117.462 118.700 0.108 0.000 2.626 250 N HA -0.122 4.618 4.740 -0.001 0.000 0.193 250 N C 1.107 176.678 175.510 0.101 0.000 1.213 250 N CA 1.323 54.471 53.050 0.164 0.000 0.914 250 N CB -0.422 38.209 38.487 0.240 0.000 0.994 250 N HN 0.251 nan 8.380 nan 0.000 0.447 251 T N 0.245 114.783 114.554 -0.027 0.000 2.990 251 T HA 0.275 4.624 4.350 -0.001 0.000 0.249 251 T C 1.817 176.458 174.700 -0.098 0.000 1.039 251 T CA -0.293 61.642 62.100 -0.275 0.000 1.036 251 T CB 0.211 68.975 68.868 -0.173 0.000 0.994 251 T HN 0.063 nan 8.240 nan 0.000 0.489 252 L N 1.668 122.974 121.223 0.138 0.000 2.043 252 L HA -0.144 4.195 4.340 -0.001 0.000 0.212 252 L C 2.806 179.805 176.870 0.215 0.000 1.075 252 L CA 1.591 56.575 54.840 0.240 0.000 0.752 252 L CB -0.683 41.461 42.059 0.140 0.000 0.891 252 L HN 0.565 nan 8.230 nan 0.000 0.432 253 W N 0.310 121.633 121.300 0.038 0.000 2.341 253 W HA -0.202 4.458 4.660 -0.001 0.000 0.283 253 W C 1.686 178.234 176.519 0.047 0.000 1.215 253 W CA 0.717 58.080 57.345 0.030 0.000 1.211 253 W CB -1.172 28.283 29.460 -0.008 0.000 1.131 253 W HN 0.194 nan 8.180 nan 0.000 0.552 254 L N -0.214 120.490 121.223 -0.866 0.000 2.201 254 L HA -0.187 4.152 4.340 -0.001 0.000 0.212 254 L C 2.535 179.298 176.870 -0.178 0.000 1.105 254 L CA 1.342 55.749 54.840 -0.722 0.000 0.775 254 L CB -0.744 40.819 42.059 -0.828 0.000 0.913 254 L HN -0.144 nan 8.230 nan 0.000 0.440 255 Y N -1.381 118.937 120.300 0.029 0.000 2.337 255 Y HA -0.187 4.363 4.550 -0.001 0.000 0.293 255 Y C 2.232 178.112 175.900 -0.034 0.000 1.123 255 Y CA 0.548 58.663 58.100 0.024 0.000 1.201 255 Y CB -0.133 38.288 38.460 -0.064 0.000 1.011 255 Y HN 0.041 nan 8.280 nan 0.000 0.545 256 L N 0.313 121.615 121.223 0.131 0.000 2.012 256 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 256 L C 2.052 178.948 176.870 0.043 0.000 1.073 256 L CA 1.739 56.638 54.840 0.098 0.000 0.748 256 L CB -0.583 41.562 42.059 0.144 0.000 0.891 256 L HN 0.198 nan 8.230 nan 0.000 0.431 257 I N -1.130 119.446 120.570 0.010 0.000 2.163 257 I HA -0.301 3.868 4.170 -0.001 0.000 0.243 257 I C 2.402 178.371 176.117 -0.247 0.000 1.085 257 I CA 1.287 62.560 61.300 -0.045 0.000 1.347 257 I CB -0.492 37.526 38.000 0.030 0.000 1.044 257 I HN 0.344 nan 8.210 nan 0.000 0.408 258 L N 1.415 122.335 121.223 -0.505 0.000 2.042 258 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 258 L C 2.323 179.122 176.870 -0.119 0.000 1.076 258 L CA 2.298 56.724 54.840 -0.690 0.000 0.749 258 L CB -1.295 40.383 42.059 -0.636 0.000 0.893 258 L HN 0.203 nan 8.230 nan 0.000 0.432 259 G N -0.295 108.503 108.800 -0.005 0.000 2.421 259 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.216 259 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.216 259 G C 1.655 176.609 174.900 0.091 0.000 1.171 259 G CA 1.175 46.325 45.100 0.083 0.000 0.775 259 G HN 0.487 nan 8.290 nan 0.000 0.543 260 I N 0.668 121.260 120.570 0.038 0.000 2.208 260 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 260 I C 2.665 178.797 176.117 0.026 0.000 1.097 260 I CA 0.948 62.274 61.300 0.044 0.000 1.363 260 I CB -0.214 37.809 38.000 0.038 0.000 1.051 260 I HN 0.169 nan 8.210 nan 0.000 0.413 261 I N -0.277 120.263 120.570 -0.050 0.000 2.226 261 I HA -0.303 3.866 4.170 -0.001 0.000 0.245 261 I C 2.289 178.351 176.117 -0.093 0.000 1.100 261 I CA 1.670 62.896 61.300 -0.123 0.000 1.374 261 I CB -0.405 37.424 38.000 -0.286 0.000 1.057 261 I HN 0.066 nan 8.210 nan 0.000 0.413 262 F N 0.874 120.796 119.950 -0.046 0.000 2.234 262 F HA -0.095 4.431 4.527 -0.001 0.000 0.299 262 F C 2.500 178.332 175.800 0.054 0.000 1.087 262 F CA 1.315 59.334 58.000 0.032 0.000 1.340 262 F CB -0.651 38.338 39.000 -0.019 0.000 1.031 262 F HN 0.030 nan 8.300 nan 0.000 0.500 263 G N 0.681 109.597 108.800 0.194 0.000 2.402 263 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 263 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 263 G C 1.649 176.601 174.900 0.086 0.000 1.162 263 G CA 1.067 46.236 45.100 0.115 0.000 0.777 263 G HN 0.533 nan 8.290 nan 0.000 0.539 264 I N -2.991 117.632 120.570 0.088 0.000 2.439 264 I HA 0.197 4.366 4.170 -0.001 0.000 0.251 264 I C 2.377 178.535 176.117 0.069 0.000 1.139 264 I CA 0.876 62.216 61.300 0.067 0.000 1.438 264 I CB -0.201 37.835 38.000 0.061 0.000 1.085 264 I HN 0.045 nan 8.210 nan 0.000 0.427 265 F N 2.586 122.501 119.950 -0.059 0.000 2.234 265 F HA 0.246 4.773 4.527 0.001 0.000 0.296 265 F C 2.318 178.079 175.800 -0.066 0.000 1.089 265 F CA 1.017 58.963 58.000 -0.091 0.000 1.343 265 F CB -0.812 38.122 39.000 -0.111 0.000 1.040 265 F HN 0.097 nan 8.300 nan 0.000 0.498 266 G N 1.362 110.121 108.800 -0.069 0.000 2.681 266 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.220 266 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.220 266 G C -0.731 174.035 174.900 -0.225 0.000 1.210 266 G CA 1.318 46.335 45.100 -0.138 0.000 0.783 266 G HN 0.327 nan 8.290 nan 0.000 0.609 267 P HA 0.094 nan 4.420 nan 0.000 0.222 267 P C 1.923 179.051 177.300 -0.287 0.000 1.153 267 P CA 0.448 63.444 63.100 -0.172 0.000 0.798 267 P CB -0.022 31.615 31.700 -0.105 0.000 0.796 268 I N -1.867 118.447 120.570 -0.426 0.000 2.264 268 I HA -0.255 3.914 4.170 -0.001 0.000 0.248 268 I C 2.178 177.617 176.117 -1.130 0.000 1.111 268 I CA 1.463 62.342 61.300 -0.703 0.000 1.382 268 I CB -0.531 37.063 38.000 -0.677 0.000 1.060 268 I HN -0.115 nan 8.210 nan 0.000 0.418 269 F N 1.889 121.149 119.950 -1.149 0.000 2.113 269 F HA -0.201 4.325 4.527 -0.002 0.000 0.297 269 F C 2.189 177.767 175.800 -0.369 0.000 1.103 269 F CA 1.860 59.356 58.000 -0.841 0.000 1.248 269 F CB -0.510 38.011 39.000 -0.799 0.000 0.999 269 F HN 0.069 nan 8.300 nan 0.000 0.475 270 N N -0.028 118.563 118.700 -0.181 0.000 2.104 270 N HA -0.221 4.518 4.740 -0.001 0.000 0.190 270 N C 1.692 177.145 175.510 -0.096 0.000 1.024 270 N CA 1.458 54.449 53.050 -0.097 0.000 0.853 270 N CB -0.141 38.310 38.487 -0.059 0.000 1.008 270 N HN 0.289 nan 8.380 nan 0.000 0.424 271 K N 0.089 120.407 120.400 -0.136 0.000 2.063 271 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 271 K C 1.726 178.382 176.600 0.094 0.000 1.048 271 K CA 1.189 57.456 56.287 -0.033 0.000 0.928 271 K CB -0.118 32.356 32.500 -0.044 0.000 0.713 271 K HN 0.294 nan 8.250 nan 0.000 0.442 272 W N 0.379 121.577 121.300 -0.170 0.000 2.355 272 W HA -0.130 4.529 4.660 -0.002 0.000 0.309 272 W C 2.222 178.610 176.519 -0.218 0.000 1.206 272 W CA 0.239 57.460 57.345 -0.207 0.000 1.284 272 W CB -1.304 27.977 29.460 -0.298 0.000 1.145 272 W HN -0.063 nan 8.180 nan 0.000 0.502 273 V N 0.831 120.705 119.914 -0.067 0.000 2.343 273 V HA -0.261 3.859 4.120 -0.001 0.000 0.247 273 V C 2.106 178.242 176.094 0.069 0.000 1.051 273 V CA 1.800 64.088 62.300 -0.019 0.000 1.036 273 V CB -0.569 31.243 31.823 -0.018 0.000 0.654 273 V HN 0.098 nan 8.190 nan 0.000 0.451 274 L N 0.475 121.735 121.223 0.060 0.000 1.976 274 L HA -0.027 4.313 4.340 -0.001 0.000 0.209 274 L C 2.777 179.681 176.870 0.057 0.000 1.071 274 L CA 1.936 56.816 54.840 0.067 0.000 0.746 274 L CB -1.389 40.703 42.059 0.056 0.000 0.890 274 L HN 0.470 nan 8.230 nan 0.000 0.432 275 G N -0.527 108.311 108.800 0.063 0.000 2.442 275 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.219 275 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.219 275 G C 1.552 176.470 174.900 0.029 0.000 1.141 275 G CA 0.986 46.117 45.100 0.052 0.000 0.763 275 G HN 0.191 nan 8.290 nan 0.000 0.554 276 M N 0.382 119.999 119.600 0.029 0.000 2.296 276 M HA 0.068 4.547 4.480 -0.001 0.000 0.265 276 M C 2.520 178.835 176.300 0.025 0.000 1.064 276 M CA 1.226 56.533 55.300 0.012 0.000 1.109 276 M CB -0.359 32.245 32.600 0.008 0.000 1.396 276 M HN 0.315 nan 8.290 nan 0.000 0.430 277 Q N -0.088 119.733 119.800 0.036 0.000 2.061 277 Q HA -0.211 4.129 4.340 -0.001 0.000 0.204 277 Q C 1.560 177.571 176.000 0.018 0.000 0.984 277 Q CA 1.841 57.662 55.803 0.030 0.000 0.846 277 Q CB -0.227 28.524 28.738 0.023 0.000 0.902 277 Q HN 0.548 nan 8.270 nan 0.000 0.421 278 D N 0.501 120.914 120.400 0.021 0.000 2.103 278 D HA -0.128 4.511 4.640 -0.001 0.000 0.199 278 D C 1.852 178.153 176.300 0.001 0.000 0.978 278 D CA 0.685 54.703 54.000 0.030 0.000 0.829 278 D CB -0.253 40.563 40.800 0.027 0.000 0.981 278 D HN 0.158 nan 8.370 nan 0.000 0.464 279 L N 0.336 121.550 121.223 -0.015 0.000 2.265 279 L HA -0.090 4.250 4.340 -0.001 0.000 0.215 279 L C 2.002 178.833 176.870 -0.065 0.000 1.117 279 L CA 0.702 55.516 54.840 -0.042 0.000 0.782 279 L CB 0.067 42.104 42.059 -0.037 0.000 0.914 279 L HN -0.008 nan 8.230 nan 0.000 0.441 280 L N -2.063 119.132 121.223 -0.046 0.000 2.477 280 L HA -0.066 4.273 4.340 -0.001 0.000 0.220 280 L C 2.138 178.882 176.870 -0.210 0.000 1.106 280 L CA -0.064 54.740 54.840 -0.059 0.000 0.851 280 L CB -0.325 41.752 42.059 0.030 0.000 0.994 280 L HN 0.241 nan 8.230 nan 0.000 0.462 281 H N 0.819 119.664 119.070 -0.374 0.000 2.462 281 H HA -0.034 4.521 4.556 -0.001 0.000 0.292 281 H C 2.201 177.058 175.328 -0.786 0.000 1.049 281 H CA 1.392 57.019 56.048 -0.701 0.000 1.334 281 H CB 0.236 29.799 29.762 -0.331 0.000 1.404 281 H HN 0.134 nan 8.280 nan 0.000 0.544 282 R N -0.751 119.482 120.500 -0.445 0.000 2.073 282 R HA -0.036 4.304 4.340 -0.001 0.000 0.229 282 R C 2.357 178.434 176.300 -0.371 0.000 1.120 282 R CA 1.217 57.086 56.100 -0.385 0.000 0.967 282 R CB -0.124 30.046 30.300 -0.218 0.000 0.862 282 R HN 0.138 nan 8.270 nan 0.000 0.436 283 V N 1.160 120.880 119.914 -0.324 0.000 2.469 283 V HA -0.253 3.867 4.120 -0.001 0.000 0.251 283 V C 1.784 177.775 176.094 -0.173 0.000 1.064 283 V CA 2.322 64.506 62.300 -0.192 0.000 1.066 283 V CB -0.773 30.993 31.823 -0.094 0.000 0.667 283 V HN 0.589 nan 8.190 nan 0.000 0.461 284 H N -1.974 116.958 119.070 -0.230 0.000 3.058 284 H HA 0.478 5.033 4.556 -0.002 0.000 0.258 284 H C 1.566 176.779 175.328 -0.192 0.000 1.015 284 H CA 0.344 56.270 56.048 -0.203 0.000 1.210 284 H CB -0.061 29.528 29.762 -0.288 0.000 1.481 284 H HN 0.265 nan 8.280 nan 0.000 0.492 285 G N 0.619 109.076 108.800 -0.572 0.000 2.258 285 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.274 285 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.274 285 G C 1.331 176.093 174.900 -0.231 0.000 1.021 285 G CA 0.862 45.693 45.100 -0.448 0.000 0.798 285 G HN 1.563 nan 8.290 nan 0.000 0.507 286 G N -1.241 107.574 108.800 0.026 0.000 2.179 286 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.260 286 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.260 286 G C 0.256 175.399 174.900 0.404 0.000 0.977 286 G CA 0.855 46.192 45.100 0.396 0.000 0.641 286 G HN 1.759 nan 8.290 nan 0.000 0.533 287 N N 0.548 119.437 118.700 0.315 0.000 2.411 287 N HA 0.423 5.162 4.740 -0.001 0.000 0.259 287 N C 1.568 177.268 175.510 0.316 0.000 1.103 287 N CA 0.149 53.346 53.050 0.245 0.000 0.954 287 N CB 0.521 39.094 38.487 0.142 0.000 1.085 287 N HN 0.312 nan 8.380 nan 0.000 0.485 288 I N 2.785 123.511 120.570 0.259 0.000 2.185 288 I HA -0.350 3.819 4.170 -0.001 0.000 0.246 288 I C 1.098 177.336 176.117 0.203 0.000 1.088 288 I CA 1.601 63.035 61.300 0.224 0.000 1.347 288 I CB -0.045 38.039 38.000 0.141 0.000 1.041 288 I HN 0.557 nan 8.210 nan 0.000 0.415 289 T N 0.632 115.278 114.554 0.154 0.000 2.777 289 T HA -0.177 4.172 4.350 -0.001 0.000 0.266 289 T C 1.853 176.621 174.700 0.114 0.000 1.040 289 T CA 1.580 63.747 62.100 0.111 0.000 1.141 289 T CB -0.164 68.749 68.868 0.075 0.000 0.868 289 T HN 0.380 nan 8.240 nan 0.000 0.444 290 K N -0.319 120.162 120.400 0.135 0.000 2.155 290 K HA -0.032 4.287 4.320 -0.001 0.000 0.203 290 K C 2.075 178.772 176.600 0.162 0.000 1.052 290 K CA 0.598 56.960 56.287 0.125 0.000 0.948 290 K CB -0.045 32.524 32.500 0.115 0.000 0.728 290 K HN 0.300 nan 8.250 nan 0.000 0.448 291 W N 1.369 122.656 121.300 -0.021 0.000 2.380 291 W HA -0.164 4.495 4.660 -0.002 0.000 0.317 291 W C 1.789 178.166 176.519 -0.238 0.000 1.196 291 W CA 0.938 58.153 57.345 -0.217 0.000 1.307 291 W CB -0.751 28.514 29.460 -0.324 0.000 1.157 291 W HN -0.232 nan 8.180 nan 0.000 0.483 292 V N 1.232 121.234 119.914 0.146 0.000 2.282 292 V HA -0.342 3.778 4.120 -0.001 0.000 0.249 292 V C 2.535 178.595 176.094 -0.057 0.000 1.057 292 V CA 2.062 64.373 62.300 0.018 0.000 1.032 292 V CB -1.166 30.722 31.823 0.108 0.000 0.645 292 V HN 0.129 nan 8.190 nan 0.000 0.447 293 L N -1.206 120.022 121.223 0.008 0.000 2.046 293 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 293 L C 2.493 179.351 176.870 -0.019 0.000 1.077 293 L CA 1.969 56.813 54.840 0.007 0.000 0.747 293 L CB -0.419 41.661 42.059 0.034 0.000 0.896 293 L HN 0.379 nan 8.230 nan 0.000 0.432 294 M N -0.441 119.141 119.600 -0.030 0.000 2.175 294 M HA -0.130 4.349 4.480 -0.001 0.000 0.264 294 M C 2.091 178.288 176.300 -0.170 0.000 1.063 294 M CA 2.009 57.283 55.300 -0.044 0.000 1.119 294 M CB -0.429 32.170 32.600 -0.002 0.000 1.377 294 M HN 0.276 nan 8.290 nan 0.000 0.415 295 G N -0.547 107.975 108.800 -0.464 0.000 2.421 295 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.216 295 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.216 295 G C 1.391 176.045 174.900 -0.410 0.000 1.171 295 G CA 0.866 45.277 45.100 -1.148 0.000 0.775 295 G HN 0.606 nan 8.290 nan 0.000 0.543 296 G N 0.740 109.419 108.800 -0.201 0.000 2.443 296 G HA2 0.132 4.091 3.960 -0.001 0.000 0.219 296 G HA3 0.132 4.091 3.960 -0.001 0.000 0.219 296 G C 1.924 176.780 174.900 -0.073 0.000 1.131 296 G CA 1.369 46.437 45.100 -0.053 0.000 0.775 296 G HN 0.636 nan 8.290 nan 0.000 0.547 297 A N 0.691 123.510 122.820 -0.002 0.000 1.929 297 A HA 0.143 4.462 4.320 -0.001 0.000 0.216 297 A C 2.329 179.918 177.584 0.008 0.000 1.176 297 A CA 1.057 53.168 52.037 0.123 0.000 0.628 297 A CB -0.226 18.866 19.000 0.153 0.000 0.816 297 A HN 0.365 nan 8.150 nan 0.000 0.444 298 I N -0.354 120.207 120.570 -0.015 0.000 2.233 298 I HA -0.090 4.079 4.170 -0.001 0.000 0.243 298 I C 2.741 178.829 176.117 -0.048 0.000 1.093 298 I CA 1.007 62.313 61.300 0.010 0.000 1.380 298 I CB -0.819 37.229 38.000 0.079 0.000 1.067 298 I HN 0.327 nan 8.210 nan 0.000 0.413 299 G N 0.949 109.723 108.800 -0.043 0.000 2.491 299 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.218 299 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.218 299 G C 1.781 176.521 174.900 -0.265 0.000 1.180 299 G CA 1.014 46.075 45.100 -0.064 0.000 0.774 299 G HN 0.496 nan 8.290 nan 0.000 0.562 300 G N 0.790 109.223 108.800 -0.611 0.000 2.469 300 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.219 300 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.219 300 G C 1.796 176.106 174.900 -0.982 0.000 1.150 300 G CA 1.188 45.459 45.100 -1.382 0.000 0.763 300 G HN 0.500 nan 8.290 nan 0.000 0.561 301 L N 0.235 121.143 121.223 -0.524 0.000 2.083 301 L HA -0.023 4.316 4.340 -0.001 0.000 0.209 301 L C 2.737 179.605 176.870 -0.003 0.000 1.083 301 L CA 1.683 56.504 54.840 -0.031 0.000 0.752 301 L CB -0.635 41.470 42.059 0.077 0.000 0.899 301 L HN 0.243 nan 8.230 nan 0.000 0.433 302 C N -0.069 119.204 119.300 -0.046 0.000 2.453 302 C HA 0.003 4.463 4.460 -0.001 0.000 0.277 302 C C 2.781 177.784 174.990 0.022 0.000 1.262 302 C CA 0.708 59.730 59.018 0.008 0.000 1.718 302 C CB -1.767 25.980 27.740 0.012 0.000 2.031 302 C HN 0.760 nan 8.230 nan 0.000 0.480 303 G N -0.046 108.741 108.800 -0.022 0.000 2.432 303 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.219 303 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.219 303 G C 1.571 176.516 174.900 0.075 0.000 1.135 303 G CA 0.789 45.898 45.100 0.014 0.000 0.767 303 G HN 0.511 nan 8.290 nan 0.000 0.550 304 L N -0.101 121.172 121.223 0.084 0.000 2.027 304 L HA 0.173 4.512 4.340 -0.001 0.000 0.206 304 L C 2.651 179.641 176.870 0.199 0.000 1.074 304 L CA 1.142 56.083 54.840 0.168 0.000 0.745 304 L CB -0.152 42.055 42.059 0.247 0.000 0.898 304 L HN 0.165 nan 8.230 nan 0.000 0.433 305 L N -0.640 120.680 121.223 0.161 0.000 2.291 305 L HA -0.047 4.292 4.340 -0.001 0.000 0.214 305 L C 2.094 179.065 176.870 0.169 0.000 1.120 305 L CA 0.814 55.754 54.840 0.166 0.000 0.799 305 L CB -0.805 41.328 42.059 0.123 0.000 0.925 305 L HN 0.429 nan 8.230 nan 0.000 0.446 306 G N -1.667 107.226 108.800 0.156 0.000 3.028 306 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.205 306 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.205 306 G C 0.862 175.887 174.900 0.207 0.000 1.182 306 G CA 0.199 45.386 45.100 0.146 0.000 0.860 306 G HN 0.380 nan 8.290 nan 0.000 0.507 307 F N -0.693 119.302 119.950 0.075 0.000 2.244 307 F HA 0.081 4.609 4.527 0.001 0.000 0.272 307 F C 2.159 178.012 175.800 0.088 0.000 0.882 307 F CA 0.605 58.647 58.000 0.070 0.000 1.101 307 F CB 0.098 39.138 39.000 0.065 0.000 1.097 307 F HN -0.008 nan 8.300 nan 0.000 0.762 308 V N -0.169 119.997 119.914 0.420 0.000 2.759 308 V HA 0.382 4.502 4.120 -0.001 0.000 0.256 308 V C 0.577 176.772 176.094 0.169 0.000 1.080 308 V CA 1.103 63.593 62.300 0.316 0.000 1.101 308 V CB -1.066 30.950 31.823 0.323 0.000 0.698 308 V HN 0.572 nan 8.190 nan 0.000 0.477 309 A N -0.298 122.618 122.820 0.160 0.000 2.770 309 A HA 0.629 4.949 4.320 -0.001 0.000 0.295 309 A C -2.057 175.614 177.584 0.145 0.000 1.256 309 A CA -0.317 51.814 52.037 0.158 0.000 0.870 309 A CB 0.399 19.552 19.000 0.255 0.000 1.451 309 A HN 0.234 nan 8.150 nan 0.000 0.505 310 P HA -0.081 nan 4.420 nan 0.000 0.225 310 P C 1.657 179.014 177.300 0.095 0.000 1.148 310 P CA 1.624 64.779 63.100 0.092 0.000 0.779 310 P CB 0.316 32.054 31.700 0.063 0.000 0.780 311 A N -0.190 122.695 122.820 0.108 0.000 2.015 311 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 311 A C 2.210 179.808 177.584 0.022 0.000 1.163 311 A CA 2.208 54.289 52.037 0.074 0.000 0.646 311 A CB -1.811 17.217 19.000 0.046 0.000 0.806 311 A HN 0.344 nan 8.150 nan 0.000 0.448 312 T N -3.182 111.393 114.554 0.034 0.000 2.857 312 T HA 0.039 4.389 4.350 -0.001 0.000 0.266 312 T C 1.374 176.072 174.700 -0.003 0.000 1.048 312 T CA 1.318 63.401 62.100 -0.029 0.000 1.139 312 T CB -0.350 68.511 68.868 -0.011 0.000 0.874 312 T HN 0.313 nan 8.240 nan 0.000 0.455 313 S N -0.546 115.176 115.700 0.037 0.000 2.690 313 S HA 0.616 5.086 4.470 -0.001 0.000 0.285 313 S C 0.701 175.323 174.600 0.037 0.000 1.135 313 S CA 0.222 58.446 58.200 0.040 0.000 1.020 313 S CB 0.479 63.715 63.200 0.060 0.000 1.159 313 S HN 1.474 nan 8.310 nan 0.000 0.534 314 G N -0.282 108.540 108.800 0.038 0.000 2.860 314 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.553 314 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.553 314 G C 0.782 175.685 174.900 0.005 0.000 1.439 314 G CA 0.003 45.123 45.100 0.033 0.000 0.879 314 G HN 1.413 nan 8.290 nan 0.000 0.545 315 G N -1.000 107.791 108.800 -0.016 0.000 2.418 315 G HA2 0.378 4.337 3.960 -0.001 0.000 0.217 315 G HA3 0.378 4.337 3.960 -0.001 0.000 0.217 315 G C 1.948 176.744 174.900 -0.173 0.000 1.158 315 G CA 2.218 47.253 45.100 -0.108 0.000 0.771 315 G HN 2.757 nan 8.290 nan 0.000 0.545 316 G N -1.270 107.479 108.800 -0.084 0.000 2.192 316 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.193 316 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.193 316 G C 1.028 175.985 174.900 0.096 0.000 0.999 316 G CA 0.305 45.392 45.100 -0.021 0.000 0.659 316 G HN 0.389 nan 8.290 nan 0.000 0.503 317 F N 1.238 121.252 119.950 0.106 0.000 2.365 317 F HA -0.022 4.503 4.527 -0.002 0.000 0.300 317 F C 2.408 178.272 175.800 0.106 0.000 1.090 317 F CA 0.827 58.894 58.000 0.111 0.000 1.408 317 F CB 0.067 39.137 39.000 0.117 0.000 1.060 317 F HN 0.134 nan 8.300 nan 0.000 0.534 318 N N 0.848 119.716 118.700 0.281 0.000 2.216 318 N HA -0.097 4.643 4.740 -0.001 0.000 0.183 318 N C 1.679 177.313 175.510 0.206 0.000 1.017 318 N CA 1.129 54.302 53.050 0.205 0.000 0.861 318 N CB -0.370 38.215 38.487 0.163 0.000 0.986 318 N HN 0.335 nan 8.380 nan 0.000 0.428 319 L N -1.995 119.367 121.223 0.230 0.000 2.592 319 L HA 0.382 4.721 4.340 -0.001 0.000 0.227 319 L C 1.627 178.676 176.870 0.299 0.000 1.127 319 L CA 0.504 55.524 54.840 0.300 0.000 0.884 319 L CB -0.400 41.826 42.059 0.278 0.000 1.065 319 L HN -0.109 nan 8.230 nan 0.000 0.457 320 I N 0.873 121.590 120.570 0.244 0.000 2.133 320 I HA -0.092 4.077 4.170 -0.001 0.000 0.238 320 I C -0.166 176.058 176.117 0.179 0.000 1.074 320 I CA 1.307 62.738 61.300 0.219 0.000 1.342 320 I CB -1.300 36.840 38.000 0.233 0.000 1.053 320 I HN 0.253 nan 8.210 nan 0.000 0.404 321 P HA -0.112 nan 4.420 nan 0.000 0.218 321 P C 1.739 179.081 177.300 0.070 0.000 1.149 321 P CA 1.477 64.632 63.100 0.092 0.000 0.817 321 P CB -0.087 31.654 31.700 0.068 0.000 0.785 322 I N -0.923 119.696 120.570 0.080 0.000 2.315 322 I HA -0.189 3.980 4.170 -0.001 0.000 0.248 322 I C 2.295 178.377 176.117 -0.058 0.000 1.117 322 I CA 1.391 62.657 61.300 -0.058 0.000 1.404 322 I CB -0.838 37.087 38.000 -0.125 0.000 1.071 322 I HN -0.080 nan 8.210 nan 0.000 0.419 323 A N 0.850 123.822 122.820 0.254 0.000 1.898 323 A HA -0.124 4.195 4.320 -0.001 0.000 0.214 323 A C 2.394 180.098 177.584 0.200 0.000 1.183 323 A CA 1.990 54.249 52.037 0.370 0.000 0.622 323 A CB -1.031 18.227 19.000 0.430 0.000 0.824 323 A HN 0.365 nan 8.150 nan 0.000 0.444 324 T N 0.776 115.424 114.554 0.156 0.000 2.759 324 T HA -0.078 4.271 4.350 -0.001 0.000 0.269 324 T C 2.058 176.811 174.700 0.088 0.000 1.042 324 T CA 1.517 63.691 62.100 0.123 0.000 1.140 324 T CB -0.443 68.487 68.868 0.102 0.000 0.864 324 T HN 0.569 nan 8.240 nan 0.000 0.455 325 A N 0.789 123.641 122.820 0.053 0.000 2.121 325 A HA 0.406 4.725 4.320 -0.001 0.000 0.218 325 A C 1.889 179.485 177.584 0.020 0.000 1.154 325 A CA 0.998 53.048 52.037 0.023 0.000 0.679 325 A CB -1.033 17.959 19.000 -0.013 0.000 0.795 325 A HN 0.986 nan 8.150 nan 0.000 0.458 326 G N -0.644 108.178 108.800 0.036 0.000 2.291 326 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.271 326 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.271 326 G C 0.207 175.099 174.900 -0.014 0.000 1.099 326 G CA 0.427 45.552 45.100 0.042 0.000 0.919 326 G HN 0.642 nan 8.290 nan 0.000 0.496 327 N N -1.333 117.297 118.700 -0.116 0.000 2.322 327 N HA 0.246 4.985 4.740 -0.001 0.000 0.181 327 N C 0.264 175.615 175.510 -0.264 0.000 1.088 327 N CA -0.234 52.679 53.050 -0.228 0.000 0.885 327 N CB 0.258 38.534 38.487 -0.352 0.000 1.013 327 N HN 0.371 nan 8.380 nan 0.000 0.472 328 F N 1.371 121.350 119.950 0.049 0.000 2.371 328 F HA 0.240 4.763 4.527 -0.007 0.000 0.329 328 F C 1.215 177.039 175.800 0.039 0.000 1.107 328 F CA -1.304 56.727 58.000 0.052 0.000 1.137 328 F CB 0.774 39.818 39.000 0.074 0.000 1.214 328 F HN -0.158 nan 8.300 nan 0.000 0.536 329 S N 1.828 117.674 115.700 0.243 0.000 2.652 329 S HA 0.264 4.733 4.470 -0.001 0.000 0.270 329 S C 0.994 175.668 174.600 0.123 0.000 1.243 329 S CA -0.782 57.498 58.200 0.133 0.000 0.999 329 S CB 1.017 64.270 63.200 0.089 0.000 0.973 329 S HN 0.776 nan 8.310 nan 0.000 0.544 330 M N 2.431 122.072 119.600 0.068 0.000 2.106 330 M HA 0.041 4.520 4.480 -0.001 0.000 0.259 330 M C 1.929 178.258 176.300 0.048 0.000 1.068 330 M CA 2.403 57.729 55.300 0.042 0.000 1.100 330 M CB -1.418 31.184 32.600 0.005 0.000 1.351 330 M HN 0.933 nan 8.290 nan 0.000 0.404 331 G N 0.013 108.841 108.800 0.048 0.000 2.514 331 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.217 331 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.217 331 G C 1.461 176.415 174.900 0.090 0.000 1.198 331 G CA 1.379 46.511 45.100 0.054 0.000 0.780 331 G HN 0.527 nan 8.290 nan 0.000 0.565 332 M N 0.293 119.951 119.600 0.095 0.000 2.202 332 M HA 0.123 4.603 4.480 -0.001 0.000 0.262 332 M C 2.279 178.635 176.300 0.094 0.000 1.063 332 M CA 1.084 56.455 55.300 0.117 0.000 1.097 332 M CB -0.347 32.346 32.600 0.155 0.000 1.382 332 M HN 0.217 nan 8.290 nan 0.000 0.413 333 L N -1.765 119.499 121.223 0.068 0.000 1.988 333 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 333 L C 2.285 179.194 176.870 0.064 0.000 1.071 333 L CA 1.031 55.886 54.840 0.024 0.000 0.744 333 L CB -0.900 41.191 42.059 0.053 0.000 0.893 333 L HN 0.087 nan 8.230 nan 0.000 0.433 334 V N 0.065 120.020 119.914 0.069 0.000 2.278 334 V HA -0.380 3.739 4.120 -0.001 0.000 0.251 334 V C 2.259 178.441 176.094 0.147 0.000 1.062 334 V CA 2.430 64.774 62.300 0.074 0.000 1.038 334 V CB -0.637 31.213 31.823 0.045 0.000 0.646 334 V HN 0.420 nan 8.190 nan 0.000 0.447 335 F N 0.358 120.324 119.950 0.028 0.000 2.069 335 F HA -0.236 4.295 4.527 0.006 0.000 0.298 335 F C 2.146 177.963 175.800 0.029 0.000 1.113 335 F CA 2.100 60.117 58.000 0.028 0.000 1.214 335 F CB -0.290 38.714 39.000 0.007 0.000 0.978 335 F HN 0.073 nan 8.300 nan 0.000 0.474 336 I N -0.588 119.913 120.570 -0.116 0.000 2.208 336 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 336 I C 2.306 178.318 176.117 -0.175 0.000 1.097 336 I CA 1.605 62.752 61.300 -0.255 0.000 1.363 336 I CB -0.583 37.311 38.000 -0.177 0.000 1.051 336 I HN 0.255 nan 8.210 nan 0.000 0.413 337 F N 0.925 120.775 119.950 -0.168 0.000 2.051 337 F HA -0.248 4.278 4.527 -0.002 0.000 0.296 337 F C 2.443 178.191 175.800 -0.086 0.000 1.122 337 F CA 1.860 59.796 58.000 -0.106 0.000 1.201 337 F CB -0.452 38.491 39.000 -0.094 0.000 0.978 337 F HN -0.249 nan 8.300 nan 0.000 0.472 338 V N 0.559 120.548 119.914 0.124 0.000 2.252 338 V HA -0.388 3.731 4.120 -0.001 0.000 0.249 338 V C 2.674 178.693 176.094 -0.125 0.000 1.056 338 V CA 2.116 64.440 62.300 0.040 0.000 1.022 338 V CB -1.558 30.301 31.823 0.060 0.000 0.641 338 V HN 0.519 nan 8.190 nan 0.000 0.445 339 A N -0.790 121.851 122.820 -0.299 0.000 1.972 339 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 339 A C 2.374 179.834 177.584 -0.207 0.000 1.169 339 A CA 1.591 53.434 52.037 -0.325 0.000 0.635 339 A CB -0.455 18.158 19.000 -0.644 0.000 0.810 339 A HN 0.497 nan 8.150 nan 0.000 0.446 340 R N -0.792 119.576 120.500 -0.220 0.000 2.093 340 R HA -0.015 4.324 4.340 -0.001 0.000 0.224 340 R C 2.049 178.289 176.300 -0.099 0.000 1.101 340 R CA 1.170 57.176 56.100 -0.155 0.000 0.979 340 R CB -0.447 29.746 30.300 -0.178 0.000 0.877 340 R HN 0.404 nan 8.270 nan 0.000 0.441 341 V N 1.775 121.608 119.914 -0.136 0.000 2.255 341 V HA -0.289 3.831 4.120 -0.001 0.000 0.247 341 V C 2.331 178.473 176.094 0.079 0.000 1.051 341 V CA 1.854 64.195 62.300 0.068 0.000 1.018 341 V CB -0.395 31.515 31.823 0.145 0.000 0.641 341 V HN 0.248 nan 8.190 nan 0.000 0.445 342 I N 0.790 121.359 120.570 -0.001 0.000 2.069 342 I HA -0.313 3.857 4.170 -0.001 0.000 0.237 342 I C 2.773 178.898 176.117 0.013 0.000 1.053 342 I CA 2.371 63.661 61.300 -0.016 0.000 1.311 342 I CB -0.975 37.001 38.000 -0.040 0.000 1.030 342 I HN 0.519 nan 8.210 nan 0.000 0.398 343 T N -2.405 112.153 114.554 0.007 0.000 2.833 343 T HA -0.162 4.187 4.350 -0.001 0.000 0.269 343 T C 1.748 176.490 174.700 0.069 0.000 1.054 343 T CA 1.886 64.005 62.100 0.031 0.000 1.135 343 T CB -0.930 67.945 68.868 0.011 0.000 0.869 343 T HN 0.284 nan 8.240 nan 0.000 0.466 344 T N 2.290 116.895 114.554 0.084 0.000 2.777 344 T HA 0.153 4.502 4.350 -0.001 0.000 0.266 344 T C 1.902 176.709 174.700 0.178 0.000 1.040 344 T CA 1.026 63.211 62.100 0.141 0.000 1.141 344 T CB -0.428 68.553 68.868 0.189 0.000 0.868 344 T HN 0.307 nan 8.240 nan 0.000 0.444 345 L N 0.239 121.538 121.223 0.127 0.000 1.961 345 L HA -0.046 4.294 4.340 -0.001 0.000 0.210 345 L C 2.470 179.416 176.870 0.126 0.000 1.072 345 L CA 1.047 55.947 54.840 0.099 0.000 0.749 345 L CB -0.760 41.303 42.059 0.006 0.000 0.889 345 L HN 0.166 nan 8.230 nan 0.000 0.432 346 L N -0.669 120.609 121.223 0.092 0.000 2.151 346 L HA -0.323 4.016 4.340 -0.001 0.000 0.215 346 L C 2.518 179.479 176.870 0.152 0.000 1.084 346 L CA 1.653 56.554 54.840 0.101 0.000 0.764 346 L CB -0.560 41.544 42.059 0.077 0.000 0.891 346 L HN 0.420 nan 8.230 nan 0.000 0.435 347 C N -2.567 116.837 119.300 0.172 0.000 2.564 347 C HA -0.035 4.424 4.460 -0.001 0.000 0.281 347 C C 2.523 177.651 174.990 0.230 0.000 1.314 347 C CA -0.025 59.114 59.018 0.202 0.000 1.706 347 C CB -0.687 27.157 27.740 0.173 0.000 2.109 347 C HN 0.567 nan 8.230 nan 0.000 0.502 348 F N 1.967 121.982 119.950 0.108 0.000 2.149 348 F HA -0.046 4.480 4.527 -0.001 0.000 0.294 348 F C 2.494 178.367 175.800 0.121 0.000 1.095 348 F CA 1.839 59.904 58.000 0.107 0.000 1.276 348 F CB -0.518 38.550 39.000 0.114 0.000 1.023 348 F HN 0.048 nan 8.300 nan 0.000 0.480 349 S N -0.110 115.683 115.700 0.155 0.000 2.400 349 S HA -0.203 4.266 4.470 -0.001 0.000 0.232 349 S C 1.918 176.547 174.600 0.048 0.000 1.025 349 S CA 1.364 59.599 58.200 0.058 0.000 0.993 349 S CB -0.873 62.393 63.200 0.110 0.000 0.808 349 S HN 0.553 nan 8.310 nan 0.000 0.478 350 S N 0.898 116.678 115.700 0.134 0.000 2.803 350 S HA 0.284 4.753 4.470 -0.001 0.000 0.226 350 S C 1.355 176.183 174.600 0.380 0.000 0.962 350 S CA 0.488 58.852 58.200 0.274 0.000 0.968 350 S CB -0.786 62.606 63.200 0.320 0.000 0.786 350 S HN 0.762 nan 8.310 nan 0.000 0.527 351 G N 0.528 109.384 108.800 0.093 0.000 2.203 351 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.263 351 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.263 351 G C 0.308 175.113 174.900 -0.158 0.000 1.012 351 G CA 0.066 45.153 45.100 -0.023 0.000 0.749 351 G HN 1.368 nan 8.290 nan 0.000 0.512 352 A N 0.617 123.323 122.820 -0.190 0.000 2.445 352 A HA 0.626 4.945 4.320 -0.001 0.000 0.242 352 A C -1.135 176.275 177.584 -0.291 0.000 1.075 352 A CA -0.603 51.132 52.037 -0.503 0.000 0.777 352 A CB 0.380 19.157 19.000 -0.373 0.000 1.013 352 A HN 0.283 nan 8.150 nan 0.000 0.493 353 P HA 0.391 nan 4.420 nan 0.000 0.271 353 P C 0.110 177.398 177.300 -0.020 0.000 1.226 353 P CA 0.914 63.931 63.100 -0.138 0.000 0.765 353 P CB 0.645 32.263 31.700 -0.138 0.000 0.835 354 G N 1.856 110.690 108.800 0.057 0.000 2.542 354 G HA2 0.334 4.293 3.960 -0.001 0.000 0.391 354 G HA3 0.334 4.293 3.960 -0.001 0.000 0.391 354 G C -0.135 174.911 174.900 0.244 0.000 1.551 354 G CA -0.473 44.700 45.100 0.121 0.000 0.946 354 G HN 0.600 nan 8.290 nan 0.000 0.662 355 G N -0.178 108.730 108.800 0.181 0.000 2.664 355 G HA2 0.481 4.440 3.960 -0.001 0.000 0.242 355 G HA3 0.481 4.440 3.960 -0.001 0.000 0.242 355 G C 1.037 176.006 174.900 0.115 0.000 1.225 355 G CA 0.147 45.374 45.100 0.212 0.000 0.849 355 G HN 1.424 nan 8.290 nan 0.000 0.581 356 I N 0.366 120.872 120.570 -0.106 0.000 4.018 356 I HA 0.248 4.417 4.170 -0.001 0.000 0.337 356 I C 1.636 177.706 176.117 -0.078 0.000 1.327 356 I CA -0.453 60.666 61.300 -0.301 0.000 1.100 356 I CB -0.049 37.347 38.000 -1.007 0.000 1.025 356 I HN 0.564 nan 8.210 nan 0.000 0.396 357 F N 1.630 121.545 119.950 -0.058 0.000 2.026 357 F HA -0.282 4.244 4.527 -0.001 0.000 0.296 357 F C 2.509 178.310 175.800 0.002 0.000 1.133 357 F CA 2.428 60.425 58.000 -0.005 0.000 1.188 357 F CB -0.408 38.657 39.000 0.108 0.000 0.968 357 F HN 0.160 nan 8.300 nan 0.000 0.476 358 A N 0.189 123.184 122.820 0.291 0.000 1.865 358 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 358 A C -0.258 177.274 177.584 -0.087 0.000 1.191 358 A CA 2.025 54.123 52.037 0.100 0.000 0.623 358 A CB -2.219 16.723 19.000 -0.096 0.000 0.826 358 A HN 0.331 nan 8.150 nan 0.000 0.444 359 P HA -0.124 nan 4.420 nan 0.000 0.221 359 P C 1.462 178.698 177.300 -0.106 0.000 1.145 359 P CA 1.140 64.187 63.100 -0.088 0.000 0.795 359 P CB -0.148 31.529 31.700 -0.039 0.000 0.775 360 M N -2.013 117.498 119.600 -0.148 0.000 2.419 360 M HA -0.048 4.431 4.480 -0.001 0.000 0.264 360 M C 1.721 177.911 176.300 -0.184 0.000 1.082 360 M CA 1.243 56.407 55.300 -0.226 0.000 1.119 360 M CB -0.441 31.961 32.600 -0.330 0.000 1.398 360 M HN -0.012 nan 8.290 nan 0.000 0.453 361 L N -0.622 120.522 121.223 -0.131 0.000 2.049 361 L HA -0.056 4.283 4.340 -0.001 0.000 0.203 361 L C 2.781 179.660 176.870 0.015 0.000 1.074 361 L CA 1.029 55.836 54.840 -0.056 0.000 0.749 361 L CB -0.887 41.198 42.059 0.044 0.000 0.907 361 L HN 0.228 nan 8.230 nan 0.000 0.439 362 A N 0.001 122.831 122.820 0.016 0.000 1.986 362 A HA -0.207 4.113 4.320 -0.001 0.000 0.220 362 A C 2.275 179.882 177.584 0.040 0.000 1.171 362 A CA 1.665 53.726 52.037 0.040 0.000 0.640 362 A CB -0.716 18.279 19.000 -0.008 0.000 0.811 362 A HN 0.371 nan 8.150 nan 0.000 0.451 363 L N -1.274 119.946 121.223 -0.005 0.000 2.095 363 L HA -0.030 4.309 4.340 -0.001 0.000 0.204 363 L C 2.789 179.786 176.870 0.212 0.000 1.080 363 L CA 1.016 55.860 54.840 0.007 0.000 0.759 363 L CB -0.506 41.462 42.059 -0.151 0.000 0.914 363 L HN 0.473 nan 8.230 nan 0.000 0.439 364 G N -1.214 107.701 108.800 0.192 0.000 2.421 364 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.217 364 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.217 364 G C 1.515 176.597 174.900 0.304 0.000 1.143 364 G CA 1.103 46.410 45.100 0.345 0.000 0.784 364 G HN 0.301 nan 8.290 nan 0.000 0.541 365 T N 1.188 115.852 114.554 0.184 0.000 2.652 365 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 365 T C 2.477 177.303 174.700 0.209 0.000 1.039 365 T CA 1.352 63.559 62.100 0.180 0.000 1.153 365 T CB -0.458 68.506 68.868 0.159 0.000 0.863 365 T HN 0.044 nan 8.240 nan 0.000 0.428 366 V N 1.372 121.413 119.914 0.210 0.000 2.343 366 V HA -0.104 4.015 4.120 -0.001 0.000 0.247 366 V C 2.409 178.605 176.094 0.169 0.000 1.051 366 V CA 1.298 63.719 62.300 0.201 0.000 1.036 366 V CB -0.653 31.299 31.823 0.216 0.000 0.654 366 V HN 0.298 nan 8.190 nan 0.000 0.451 367 L N 1.149 122.485 121.223 0.189 0.000 2.109 367 L HA 0.063 4.402 4.340 -0.001 0.000 0.207 367 L C 2.344 179.250 176.870 0.061 0.000 1.086 367 L CA 2.261 57.061 54.840 -0.067 0.000 0.760 367 L CB -1.359 40.544 42.059 -0.259 0.000 0.910 367 L HN 0.263 nan 8.230 nan 0.000 0.437 368 G N -1.656 107.292 108.800 0.247 0.000 2.440 368 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.218 368 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.218 368 G C 1.386 176.456 174.900 0.283 0.000 1.154 368 G CA 1.281 46.571 45.100 0.316 0.000 0.767 368 G HN 0.448 nan 8.290 nan 0.000 0.552 369 T N 1.738 116.419 114.554 0.212 0.000 2.777 369 T HA 0.094 4.443 4.350 -0.001 0.000 0.266 369 T C 2.811 177.569 174.700 0.097 0.000 1.040 369 T CA 1.371 63.575 62.100 0.173 0.000 1.141 369 T CB -0.425 68.551 68.868 0.179 0.000 0.868 369 T HN 0.372 nan 8.240 nan 0.000 0.444 370 A N 1.505 124.361 122.820 0.061 0.000 1.892 370 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 370 A C 2.043 179.605 177.584 -0.036 0.000 1.188 370 A CA 1.740 53.768 52.037 -0.015 0.000 0.631 370 A CB -1.131 17.811 19.000 -0.096 0.000 0.822 370 A HN 0.473 nan 8.150 nan 0.000 0.447 371 F N 0.986 120.842 119.950 -0.156 0.000 2.146 371 F HA 0.022 4.549 4.527 0.000 0.000 0.298 371 F C 2.338 177.939 175.800 -0.332 0.000 1.096 371 F CA 1.441 59.307 58.000 -0.224 0.000 1.275 371 F CB -0.742 38.141 39.000 -0.196 0.000 1.008 371 F HN 0.209 nan 8.300 nan 0.000 0.480 372 G N 0.624 109.294 108.800 -0.218 0.000 2.491 372 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.218 372 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.218 372 G C 1.734 176.426 174.900 -0.347 0.000 1.180 372 G CA 1.152 46.014 45.100 -0.396 0.000 0.774 372 G HN 0.388 nan 8.290 nan 0.000 0.562 373 M N -0.095 119.397 119.600 -0.180 0.000 2.082 373 M HA -0.127 4.352 4.480 -0.001 0.000 0.258 373 M C 2.735 178.906 176.300 -0.215 0.000 1.069 373 M CA 1.316 56.532 55.300 -0.140 0.000 1.102 373 M CB -0.392 32.165 32.600 -0.072 0.000 1.336 373 M HN 0.158 nan 8.290 nan 0.000 0.404 374 V N 0.086 119.824 119.914 -0.293 0.000 2.427 374 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 374 V C 2.582 178.440 176.094 -0.395 0.000 1.051 374 V CA 1.844 63.955 62.300 -0.316 0.000 1.048 374 V CB -1.376 30.260 31.823 -0.311 0.000 0.666 374 V HN 0.524 nan 8.190 nan 0.000 0.456 375 A N 0.002 122.487 122.820 -0.558 0.000 1.883 375 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 375 A C 2.436 179.928 177.584 -0.153 0.000 1.186 375 A CA 2.153 53.935 52.037 -0.424 0.000 0.624 375 A CB -0.799 17.671 19.000 -0.883 0.000 0.822 375 A HN 0.312 nan 8.150 nan 0.000 0.444 376 V N 1.078 120.883 119.914 -0.182 0.000 2.252 376 V HA -0.349 3.770 4.120 -0.001 0.000 0.249 376 V C 2.630 178.675 176.094 -0.082 0.000 1.056 376 V CA 2.702 64.966 62.300 -0.061 0.000 1.022 376 V CB -0.968 30.828 31.823 -0.044 0.000 0.641 376 V HN 0.954 nan 8.190 nan 0.000 0.445 377 E N -0.242 119.870 120.200 -0.146 0.000 2.216 377 E HA -0.117 4.232 4.350 -0.001 0.000 0.192 377 E C 2.097 178.545 176.600 -0.253 0.000 0.988 377 E CA 0.996 57.300 56.400 -0.161 0.000 0.834 377 E CB -0.400 29.215 29.700 -0.140 0.000 0.772 377 E HN 0.515 nan 8.360 nan 0.000 0.479 378 L N -0.282 120.697 121.223 -0.407 0.000 2.093 378 L HA 0.007 4.346 4.340 -0.001 0.000 0.208 378 L C 0.384 176.719 176.870 -0.892 0.000 1.085 378 L CA 0.847 55.232 54.840 -0.758 0.000 0.755 378 L CB 0.098 41.474 42.059 -1.137 0.000 0.904 378 L HN 0.148 nan 8.230 nan 0.000 0.435 379 F N -0.915 118.995 119.950 -0.068 0.000 2.550 379 F HA 0.297 4.824 4.527 0.000 0.000 0.348 379 F C -1.619 174.120 175.800 -0.101 0.000 1.219 379 F CA -1.695 56.262 58.000 -0.071 0.000 1.203 379 F CB 0.373 39.465 39.000 0.153 0.000 1.436 379 F HN -0.165 nan 8.300 nan 0.000 0.541 380 P HA -0.212 nan 4.420 nan 0.000 0.221 380 P C 1.364 178.507 177.300 -0.262 0.000 1.150 380 P CA 1.250 64.275 63.100 -0.125 0.000 0.800 380 P CB 0.242 31.865 31.700 -0.128 0.000 0.787 381 Q N -0.510 119.161 119.800 -0.217 0.000 2.291 381 Q HA -0.162 4.177 4.340 -0.001 0.000 0.205 381 Q C 1.584 177.519 176.000 -0.108 0.000 0.970 381 Q CA 1.347 57.009 55.803 -0.235 0.000 0.876 381 Q CB -1.255 27.364 28.738 -0.198 0.000 0.935 381 Q HN 0.385 nan 8.270 nan 0.000 0.455 382 Y N 0.390 120.708 120.300 0.030 0.000 2.544 382 Y HA -0.008 4.540 4.550 -0.002 0.000 0.286 382 Y C -0.107 175.907 175.900 0.191 0.000 1.141 382 Y CA 0.018 58.197 58.100 0.132 0.000 1.299 382 Y CB -0.025 38.510 38.460 0.125 0.000 1.030 382 Y HN 0.307 nan 8.280 nan 0.000 0.543 383 H N -0.353 118.856 119.070 0.232 0.000 2.604 383 H HA -0.173 4.382 4.556 -0.001 0.000 0.321 383 H C -0.312 175.115 175.328 0.166 0.000 1.132 383 H CA 0.098 56.240 56.048 0.158 0.000 1.129 383 H CB -2.063 27.771 29.762 0.120 0.000 1.526 383 H HN 0.261 nan 8.280 nan 0.000 0.415 384 L N 0.121 121.491 121.223 0.245 0.000 2.476 384 L HA 0.290 4.629 4.340 -0.001 0.000 0.255 384 L C 0.946 177.937 176.870 0.203 0.000 1.218 384 L CA 0.215 55.207 54.840 0.253 0.000 0.819 384 L CB 0.691 42.911 42.059 0.269 0.000 1.119 384 L HN 0.456 nan 8.230 nan 0.000 0.485 385 E N -0.452 119.886 120.200 0.231 0.000 2.274 385 E HA 0.341 4.690 4.350 -0.001 0.000 0.269 385 E C 0.004 176.762 176.600 0.263 0.000 0.891 385 E CA -0.393 56.117 56.400 0.184 0.000 0.784 385 E CB 1.882 31.663 29.700 0.135 0.000 1.225 385 E HN 0.653 nan 8.360 nan 0.000 0.412 386 A N 3.547 126.494 122.820 0.213 0.000 1.978 386 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 386 A C 1.864 179.618 177.584 0.283 0.000 1.170 386 A CA 1.894 54.085 52.037 0.256 0.000 0.636 386 A CB -0.741 18.338 19.000 0.132 0.000 0.810 386 A HN 0.770 nan 8.150 nan 0.000 0.448 387 G N -0.259 108.656 108.800 0.191 0.000 2.475 387 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.220 387 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.220 387 G C 1.698 176.678 174.900 0.134 0.000 1.125 387 G CA 2.067 47.255 45.100 0.148 0.000 0.755 387 G HN 0.701 nan 8.290 nan 0.000 0.565 388 T N -1.347 113.282 114.554 0.127 0.000 2.777 388 T HA -0.019 4.331 4.350 -0.001 0.000 0.266 388 T C 2.085 176.805 174.700 0.034 0.000 1.040 388 T CA 0.972 63.081 62.100 0.014 0.000 1.141 388 T CB -0.446 68.376 68.868 -0.077 0.000 0.868 388 T HN 0.182 nan 8.240 nan 0.000 0.444 389 F N 2.024 122.117 119.950 0.237 0.000 2.325 389 F HA 0.356 4.883 4.527 -0.001 0.000 0.299 389 F C 2.892 178.819 175.800 0.211 0.000 1.090 389 F CA 0.407 58.570 58.000 0.272 0.000 1.392 389 F CB -0.642 38.481 39.000 0.205 0.000 1.053 389 F HN 0.247 nan 8.300 nan 0.000 0.521 390 A N 0.372 123.384 122.820 0.319 0.000 1.902 390 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 390 A C 2.222 179.896 177.584 0.149 0.000 1.181 390 A CA 1.482 53.655 52.037 0.227 0.000 0.623 390 A CB -0.969 18.147 19.000 0.192 0.000 0.818 390 A HN 0.384 nan 8.150 nan 0.000 0.443 391 I N -0.531 120.099 120.570 0.099 0.000 2.439 391 I HA -0.211 3.958 4.170 -0.001 0.000 0.251 391 I C 2.876 178.982 176.117 -0.018 0.000 1.139 391 I CA 0.786 62.102 61.300 0.027 0.000 1.438 391 I CB -0.161 37.836 38.000 -0.005 0.000 1.085 391 I HN 0.376 nan 8.210 nan 0.000 0.427 392 A N 0.505 123.328 122.820 0.005 0.000 1.898 392 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 392 A C 2.301 179.853 177.584 -0.053 0.000 1.181 392 A CA 1.783 53.800 52.037 -0.034 0.000 0.620 392 A CB -1.198 17.847 19.000 0.075 0.000 0.819 392 A HN 0.440 nan 8.150 nan 0.000 0.442 393 G N -1.392 107.430 108.800 0.037 0.000 2.920 393 G HA2 0.066 4.025 3.960 -0.001 0.000 0.208 393 G HA3 0.066 4.025 3.960 -0.001 0.000 0.208 393 G C 1.357 176.147 174.900 -0.184 0.000 1.159 393 G CA 0.655 45.712 45.100 -0.071 0.000 0.784 393 G HN 0.456 nan 8.290 nan 0.000 0.535 394 M N 0.861 120.410 119.600 -0.086 0.000 2.059 394 M HA 0.023 4.502 4.480 -0.001 0.000 0.259 394 M C 2.168 178.359 176.300 -0.182 0.000 1.072 394 M CA 1.861 57.120 55.300 -0.070 0.000 1.117 394 M CB -0.097 32.488 32.600 -0.024 0.000 1.320 394 M HN 0.185 nan 8.290 nan 0.000 0.408 395 G N -1.195 107.468 108.800 -0.228 0.000 3.383 395 G HA2 0.376 4.335 3.960 -0.001 0.000 0.251 395 G HA3 0.376 4.335 3.960 -0.001 0.000 0.251 395 G C 0.978 175.655 174.900 -0.372 0.000 1.203 395 G CA 0.495 45.427 45.100 -0.280 0.000 0.852 395 G HN 0.591 nan 8.290 nan 0.000 0.531 396 A N 0.232 122.711 122.820 -0.569 0.000 1.935 396 A HA 0.223 4.542 4.320 -0.001 0.000 0.214 396 A C 2.086 179.257 177.584 -0.688 0.000 1.178 396 A CA 0.453 52.006 52.037 -0.806 0.000 0.640 396 A CB -0.235 17.845 19.000 -1.532 0.000 0.825 396 A HN 0.353 nan 8.150 nan 0.000 0.447 397 L N -0.047 120.821 121.223 -0.592 0.000 2.141 397 L HA -0.035 4.305 4.340 -0.001 0.000 0.209 397 L C 2.188 178.895 176.870 -0.273 0.000 1.094 397 L CA 1.355 56.078 54.840 -0.195 0.000 0.763 397 L CB -0.673 41.364 42.059 -0.037 0.000 0.908 397 L HN 0.410 nan 8.230 nan 0.000 0.437 398 L N -0.422 120.587 121.223 -0.358 0.000 2.191 398 L HA -0.155 4.184 4.340 -0.001 0.000 0.212 398 L C 2.489 179.190 176.870 -0.282 0.000 1.103 398 L CA 1.004 55.602 54.840 -0.404 0.000 0.769 398 L CB -0.487 41.258 42.059 -0.523 0.000 0.908 398 L HN 0.271 nan 8.230 nan 0.000 0.438 399 A N -0.947 121.724 122.820 -0.248 0.000 2.132 399 A HA 0.265 4.585 4.320 -0.001 0.000 0.213 399 A C 2.094 179.599 177.584 -0.130 0.000 1.154 399 A CA 1.026 52.959 52.037 -0.173 0.000 0.753 399 A CB -0.111 18.782 19.000 -0.179 0.000 0.826 399 A HN 0.340 nan 8.150 nan 0.000 0.469 400 A N -1.893 120.850 122.820 -0.127 0.000 2.324 400 A HA 0.442 4.761 4.320 -0.001 0.000 0.220 400 A C 1.895 179.426 177.584 -0.089 0.000 1.209 400 A CA 1.091 53.085 52.037 -0.072 0.000 0.918 400 A CB 0.082 19.087 19.000 0.009 0.000 0.959 400 A HN 0.292 nan 8.150 nan 0.000 0.507 401 S N -0.665 114.956 115.700 -0.132 0.000 2.655 401 S HA 0.240 4.709 4.470 -0.001 0.000 0.231 401 S C 1.569 176.070 174.600 -0.166 0.000 1.044 401 S CA 0.424 58.543 58.200 -0.134 0.000 0.910 401 S CB -0.220 62.894 63.200 -0.143 0.000 0.833 401 S HN 0.408 nan 8.310 nan 0.000 0.581 402 I N 1.384 121.810 120.570 -0.241 0.000 2.676 402 I HA 0.038 4.207 4.170 -0.001 0.000 0.259 402 I C 0.323 176.380 176.117 -0.100 0.000 1.194 402 I CA 0.538 61.678 61.300 -0.266 0.000 1.473 402 I CB 0.066 37.854 38.000 -0.353 0.000 1.096 402 I HN 0.175 nan 8.210 nan 0.000 0.443 403 R N 0.051 120.493 120.500 -0.097 0.000 3.531 403 R HA -0.156 4.183 4.340 -0.001 0.000 0.280 403 R C -0.125 176.166 176.300 -0.016 0.000 1.130 403 R CA 0.763 56.829 56.100 -0.057 0.000 0.757 403 R CB -2.606 27.668 30.300 -0.043 0.000 1.218 403 R HN 0.362 nan 8.270 nan 0.000 0.454 404 A N 0.512 123.333 122.820 0.001 0.000 2.802 404 A HA 0.505 4.824 4.320 -0.001 0.000 0.344 404 A C -1.052 176.537 177.584 0.008 0.000 1.215 404 A CA -1.140 50.932 52.037 0.058 0.000 0.821 404 A CB 0.910 20.039 19.000 0.216 0.000 1.099 404 A HN -0.050 nan 8.150 nan 0.000 0.479 405 P HA -0.146 nan 4.420 nan 0.000 0.214 405 P C 1.574 178.853 177.300 -0.034 0.000 1.162 405 P CA 0.566 63.631 63.100 -0.058 0.000 0.874 405 P CB 0.205 31.869 31.700 -0.060 0.000 0.784 406 L N 0.055 121.273 121.223 -0.008 0.000 2.129 406 L HA -0.117 4.222 4.340 -0.001 0.000 0.212 406 L C 2.118 179.003 176.870 0.026 0.000 1.087 406 L CA 2.149 56.991 54.840 0.005 0.000 0.757 406 L CB -1.766 40.300 42.059 0.012 0.000 0.896 406 L HN -0.042 nan 8.230 nan 0.000 0.434 407 T N -1.235 113.356 114.554 0.062 0.000 2.851 407 T HA -0.006 4.344 4.350 -0.001 0.000 0.262 407 T C 1.691 176.413 174.700 0.037 0.000 1.043 407 T CA 0.965 63.129 62.100 0.106 0.000 1.140 407 T CB -0.647 68.379 68.868 0.263 0.000 0.872 407 T HN 0.528 nan 8.240 nan 0.000 0.446 408 G N 1.518 110.307 108.800 -0.019 0.000 2.421 408 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.216 408 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.216 408 G C 1.537 176.372 174.900 -0.108 0.000 1.171 408 G CA 0.498 45.531 45.100 -0.112 0.000 0.775 408 G HN 0.462 nan 8.290 nan 0.000 0.543 409 I N 0.483 121.001 120.570 -0.086 0.000 2.163 409 I HA -0.185 3.984 4.170 -0.001 0.000 0.243 409 I C 2.695 178.781 176.117 -0.052 0.000 1.085 409 I CA 1.044 62.298 61.300 -0.077 0.000 1.347 409 I CB -0.175 37.786 38.000 -0.064 0.000 1.044 409 I HN 0.151 nan 8.210 nan 0.000 0.408 410 I N -0.055 120.498 120.570 -0.030 0.000 2.315 410 I HA -0.272 3.897 4.170 -0.001 0.000 0.248 410 I C 2.491 178.582 176.117 -0.044 0.000 1.117 410 I CA 0.958 62.247 61.300 -0.018 0.000 1.404 410 I CB -0.133 37.867 38.000 0.001 0.000 1.071 410 I HN 0.243 nan 8.210 nan 0.000 0.419 411 L N 0.465 121.646 121.223 -0.070 0.000 2.012 411 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 411 L C 2.398 179.191 176.870 -0.129 0.000 1.073 411 L CA 1.808 56.569 54.840 -0.132 0.000 0.748 411 L CB -0.418 41.523 42.059 -0.196 0.000 0.891 411 L HN -0.050 nan 8.230 nan 0.000 0.431 412 V N -0.460 119.389 119.914 -0.109 0.000 2.233 412 V HA -0.320 3.800 4.120 -0.001 0.000 0.247 412 V C 2.511 178.573 176.094 -0.054 0.000 1.050 412 V CA 1.974 64.225 62.300 -0.082 0.000 1.010 412 V CB -0.735 31.037 31.823 -0.085 0.000 0.637 412 V HN 0.542 nan 8.190 nan 0.000 0.444 413 L N 0.008 121.208 121.223 -0.038 0.000 2.103 413 L HA -0.267 4.072 4.340 -0.001 0.000 0.215 413 L C 2.372 179.237 176.870 -0.007 0.000 1.080 413 L CA 2.128 56.967 54.840 -0.002 0.000 0.764 413 L CB -0.505 41.574 42.059 0.032 0.000 0.890 413 L HN 0.406 nan 8.230 nan 0.000 0.435 414 E N -1.572 118.610 120.200 -0.031 0.000 2.299 414 E HA -0.108 4.241 4.350 -0.001 0.000 0.193 414 E C 2.049 178.626 176.600 -0.039 0.000 0.998 414 E CA 1.023 57.402 56.400 -0.036 0.000 0.851 414 E CB 0.040 29.710 29.700 -0.049 0.000 0.795 414 E HN 0.593 nan 8.360 nan 0.000 0.492 415 M N -0.486 119.085 119.600 -0.048 0.000 2.615 415 M HA -0.018 4.461 4.480 -0.001 0.000 0.262 415 M C 2.355 178.634 176.300 -0.034 0.000 1.198 415 M CA 1.068 56.337 55.300 -0.051 0.000 1.165 415 M CB 0.348 32.903 32.600 -0.074 0.000 1.310 415 M HN 0.080 nan 8.290 nan 0.000 0.494 416 T N -3.874 110.666 114.554 -0.024 0.000 3.039 416 T HA 0.004 4.353 4.350 -0.001 0.000 0.250 416 T C 0.772 175.471 174.700 -0.001 0.000 1.052 416 T CA 0.461 62.556 62.100 -0.009 0.000 1.125 416 T CB 0.027 68.891 68.868 -0.007 0.000 0.908 416 T HN 0.316 nan 8.240 nan 0.000 0.473 417 D N 1.771 122.173 120.400 0.003 0.000 2.716 417 D HA -0.148 4.491 4.640 -0.001 0.000 0.239 417 D C -0.811 175.507 176.300 0.030 0.000 1.125 417 D CA 0.278 54.290 54.000 0.019 0.000 0.681 417 D CB -1.996 38.812 40.800 0.013 0.000 1.070 417 D HN 0.604 nan 8.370 nan 0.000 0.432 418 N N 0.865 119.578 118.700 0.023 0.000 3.040 418 N HA 0.014 4.753 4.740 -0.001 0.000 0.305 418 N C 0.836 176.348 175.510 0.003 0.000 1.611 418 N CA -0.391 52.663 53.050 0.007 0.000 1.049 418 N CB 0.160 38.632 38.487 -0.026 0.000 1.342 418 N HN 0.277 nan 8.380 nan 0.000 0.497 419 Y N 2.511 122.782 120.300 -0.050 0.000 2.241 419 Y HA -0.315 4.234 4.550 -0.001 0.000 0.286 419 Y C 2.148 178.008 175.900 -0.067 0.000 1.166 419 Y CA 2.037 60.103 58.100 -0.056 0.000 1.203 419 Y CB 0.203 38.637 38.460 -0.043 0.000 0.977 419 Y HN 0.347 nan 8.280 nan 0.000 0.529 420 Q N 0.045 119.733 119.800 -0.187 0.000 2.368 420 Q HA -0.146 4.193 4.340 -0.001 0.000 0.210 420 Q C 1.325 177.138 176.000 -0.311 0.000 0.982 420 Q CA 1.889 57.544 55.803 -0.246 0.000 0.884 420 Q CB -0.852 27.827 28.738 -0.099 0.000 0.933 420 Q HN 0.570 nan 8.270 nan 0.000 0.460 421 L N -0.083 120.961 121.223 -0.300 0.000 2.728 421 L HA 0.186 4.525 4.340 -0.001 0.000 0.235 421 L C 1.207 177.847 176.870 -0.385 0.000 1.197 421 L CA -0.341 54.302 54.840 -0.330 0.000 0.992 421 L CB -0.026 41.876 42.059 -0.262 0.000 1.263 421 L HN 0.208 nan 8.230 nan 0.000 0.484 422 I N -0.021 120.262 120.570 -0.478 0.000 2.179 422 I HA -0.303 3.866 4.170 -0.001 0.000 0.242 422 I C 2.124 178.049 176.117 -0.320 0.000 1.088 422 I CA 1.650 62.699 61.300 -0.418 0.000 1.357 422 I CB 0.079 37.714 38.000 -0.608 0.000 1.051 422 I HN 0.168 nan 8.210 nan 0.000 0.409 423 L N 0.911 121.938 121.223 -0.327 0.000 1.971 423 L HA -0.161 4.178 4.340 -0.001 0.000 0.215 423 L C -0.358 176.314 176.870 -0.330 0.000 1.072 423 L CA 2.549 57.231 54.840 -0.262 0.000 0.758 423 L CB -2.175 39.756 42.059 -0.214 0.000 0.889 423 L HN 0.171 nan 8.230 nan 0.000 0.433 424 P HA -0.195 nan 4.420 nan 0.000 0.216 424 P C 2.078 179.061 177.300 -0.529 0.000 1.153 424 P CA 1.622 64.172 63.100 -0.917 0.000 0.858 424 P CB -0.084 30.566 31.700 -1.749 0.000 0.789 425 M N -1.888 117.473 119.600 -0.399 0.000 2.117 425 M HA -0.141 4.338 4.480 -0.001 0.000 0.262 425 M C 2.096 178.290 176.300 -0.177 0.000 1.065 425 M CA 1.795 56.947 55.300 -0.246 0.000 1.114 425 M CB -0.773 31.703 32.600 -0.207 0.000 1.361 425 M HN -0.070 nan 8.290 nan 0.000 0.408 426 I N 0.190 120.661 120.570 -0.165 0.000 2.133 426 I HA -0.288 3.881 4.170 -0.001 0.000 0.238 426 I C 2.294 178.359 176.117 -0.088 0.000 1.074 426 I CA 1.316 62.550 61.300 -0.110 0.000 1.342 426 I CB -0.403 37.543 38.000 -0.091 0.000 1.053 426 I HN 0.210 nan 8.210 nan 0.000 0.404 427 I N 0.608 121.123 120.570 -0.091 0.000 2.185 427 I HA -0.348 3.821 4.170 -0.001 0.000 0.246 427 I C 2.560 178.674 176.117 -0.005 0.000 1.088 427 I CA 1.827 63.108 61.300 -0.033 0.000 1.347 427 I CB -0.625 37.367 38.000 -0.014 0.000 1.041 427 I HN 0.315 nan 8.210 nan 0.000 0.415 428 T N 0.218 114.761 114.554 -0.018 0.000 2.701 428 T HA -0.099 4.250 4.350 -0.001 0.000 0.263 428 T C 1.930 176.594 174.700 -0.060 0.000 1.040 428 T CA 1.426 63.526 62.100 -0.001 0.000 1.147 428 T CB -0.832 68.041 68.868 0.009 0.000 0.865 428 T HN 0.576 nan 8.240 nan 0.000 0.426 429 G N 1.415 110.153 108.800 -0.104 0.000 2.491 429 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.218 429 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.218 429 G C 1.560 176.413 174.900 -0.078 0.000 1.180 429 G CA 0.975 46.001 45.100 -0.124 0.000 0.774 429 G HN 0.430 nan 8.290 nan 0.000 0.562 430 L N 1.040 122.233 121.223 -0.049 0.000 2.017 430 L HA 0.135 4.474 4.340 -0.001 0.000 0.208 430 L C 2.941 179.811 176.870 -0.000 0.000 1.073 430 L CA 2.090 56.915 54.840 -0.024 0.000 0.745 430 L CB -0.696 41.356 42.059 -0.012 0.000 0.894 430 L HN 0.213 nan 8.230 nan 0.000 0.432 431 G N -1.134 107.674 108.800 0.014 0.000 2.485 431 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.221 431 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.221 431 G C 1.537 176.465 174.900 0.047 0.000 1.115 431 G CA 0.824 45.950 45.100 0.042 0.000 0.751 431 G HN 0.605 nan 8.290 nan 0.000 0.567 432 A N 0.464 123.297 122.820 0.021 0.000 1.874 432 A HA 0.069 4.388 4.320 -0.001 0.000 0.214 432 A C 2.577 180.164 177.584 0.005 0.000 1.189 432 A CA 2.242 54.300 52.037 0.035 0.000 0.615 432 A CB -0.816 18.174 19.000 -0.015 0.000 0.830 432 A HN 0.303 nan 8.150 nan 0.000 0.443 433 T N 0.613 115.149 114.554 -0.030 0.000 2.788 433 T HA -0.093 4.256 4.350 -0.001 0.000 0.268 433 T C 1.828 176.486 174.700 -0.071 0.000 1.044 433 T CA 1.404 63.471 62.100 -0.055 0.000 1.139 433 T CB -0.406 68.425 68.868 -0.062 0.000 0.867 433 T HN 0.304 nan 8.240 nan 0.000 0.454 434 L N 0.136 121.342 121.223 -0.028 0.000 2.005 434 L HA 0.001 4.341 4.340 -0.001 0.000 0.207 434 L C 2.623 179.521 176.870 0.046 0.000 1.072 434 L CA 0.936 55.767 54.840 -0.016 0.000 0.744 434 L CB -0.476 41.660 42.059 0.128 0.000 0.895 434 L HN 0.217 nan 8.230 nan 0.000 0.433 435 L N -0.395 120.895 121.223 0.112 0.000 2.156 435 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 435 L C 2.769 179.683 176.870 0.072 0.000 1.095 435 L CA 1.534 56.461 54.840 0.146 0.000 0.770 435 L CB -1.217 40.915 42.059 0.121 0.000 0.914 435 L HN 0.237 nan 8.230 nan 0.000 0.439 436 A N -0.901 121.928 122.820 0.015 0.000 2.019 436 A HA -0.237 4.082 4.320 -0.001 0.000 0.219 436 A C 2.263 179.811 177.584 -0.060 0.000 1.164 436 A CA 1.447 53.472 52.037 -0.021 0.000 0.644 436 A CB -0.342 18.636 19.000 -0.036 0.000 0.805 436 A HN 0.491 nan 8.150 nan 0.000 0.449 437 Q N -1.480 118.239 119.800 -0.134 0.000 2.061 437 Q HA -0.072 4.267 4.340 -0.001 0.000 0.195 437 Q C 1.418 177.303 176.000 -0.193 0.000 0.967 437 Q CA 1.157 56.814 55.803 -0.244 0.000 0.829 437 Q CB -0.131 28.326 28.738 -0.467 0.000 0.900 437 Q HN 0.584 nan 8.270 nan 0.000 0.450 438 F N 0.855 120.810 119.950 0.008 0.000 2.604 438 F HA -0.046 4.480 4.527 -0.002 0.000 0.298 438 F C 1.969 177.774 175.800 0.008 0.000 1.131 438 F CA 1.320 59.326 58.000 0.010 0.000 1.457 438 F CB -0.168 38.839 39.000 0.013 0.000 1.095 438 F HN 0.145 nan 8.300 nan 0.000 0.574 439 T N -3.073 111.568 114.554 0.145 0.000 3.273 439 T HA 0.432 4.781 4.350 -0.001 0.000 0.254 439 T C 1.470 176.194 174.700 0.041 0.000 1.002 439 T CA 0.196 62.346 62.100 0.083 0.000 0.913 439 T CB -0.370 68.531 68.868 0.056 0.000 1.056 439 T HN 0.403 nan 8.240 nan 0.000 0.576 440 G N 0.391 109.215 108.800 0.041 0.000 2.225 440 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.267 440 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.267 440 G C 0.430 175.327 174.900 -0.005 0.000 1.024 440 G CA -0.222 44.890 45.100 0.019 0.000 0.784 440 G HN 1.070 nan 8.290 nan 0.000 0.507 441 G N -0.741 108.046 108.800 -0.023 0.000 2.504 441 G HA2 0.642 4.602 3.960 -0.001 0.000 0.288 441 G HA3 0.642 4.602 3.960 -0.001 0.000 0.288 441 G C -0.050 174.832 174.900 -0.031 0.000 1.182 441 G CA -0.450 44.629 45.100 -0.036 0.000 0.894 441 G HN 0.510 nan 8.290 nan 0.000 0.521 442 K N 0.617 121.003 120.400 -0.023 0.000 2.426 442 K HA 0.346 4.665 4.320 -0.001 0.000 0.251 442 K C -2.976 173.622 176.600 -0.002 0.000 0.941 442 K CA -1.960 54.325 56.287 -0.003 0.000 0.808 442 K CB 2.529 35.040 32.500 0.018 0.000 1.265 442 K HN 0.098 nan 8.250 nan 0.000 0.432 443 P HA -0.073 nan 4.420 nan 0.000 0.258 443 P C 1.107 178.433 177.300 0.044 0.000 1.214 443 P CA -0.087 63.025 63.100 0.021 0.000 0.872 443 P CB 0.145 31.880 31.700 0.060 0.000 0.890 444 L N 3.909 125.121 121.223 -0.017 0.000 2.137 444 L HA -0.246 4.093 4.340 -0.001 0.000 0.213 444 L C 1.154 178.112 176.870 0.146 0.000 1.085 444 L CA 2.191 57.036 54.840 0.009 0.000 0.760 444 L CB -0.735 41.271 42.059 -0.088 0.000 0.893 444 L HN 0.416 nan 8.230 nan 0.000 0.434 445 Y N -0.620 119.755 120.300 0.125 0.000 2.263 445 Y HA -0.171 4.379 4.550 -0.001 0.000 0.292 445 Y C 2.793 178.767 175.900 0.124 0.000 1.130 445 Y CA 0.885 59.075 58.100 0.150 0.000 1.179 445 Y CB 0.064 38.636 38.460 0.187 0.000 0.998 445 Y HN 0.220 nan 8.280 nan 0.000 0.532 446 S N -0.233 115.626 115.700 0.265 0.000 2.428 446 S HA -0.098 4.371 4.470 -0.001 0.000 0.230 446 S C 2.116 176.806 174.600 0.148 0.000 1.014 446 S CA 0.735 59.047 58.200 0.188 0.000 0.957 446 S CB -0.224 63.079 63.200 0.172 0.000 0.784 446 S HN 0.474 nan 8.310 nan 0.000 0.499 447 A N 1.123 124.027 122.820 0.138 0.000 1.968 447 A HA 0.094 4.413 4.320 -0.001 0.000 0.217 447 A C 1.935 179.587 177.584 0.113 0.000 1.169 447 A CA 0.827 52.927 52.037 0.105 0.000 0.638 447 A CB -0.468 18.582 19.000 0.084 0.000 0.812 447 A HN 0.491 nan 8.150 nan 0.000 0.446 448 I N -1.014 119.650 120.570 0.156 0.000 2.406 448 I HA -0.133 4.036 4.170 -0.001 0.000 0.249 448 I C 2.314 178.499 176.117 0.113 0.000 1.122 448 I CA 0.578 61.967 61.300 0.149 0.000 1.431 448 I CB -0.117 38.016 38.000 0.221 0.000 1.087 448 I HN 0.359 nan 8.210 nan 0.000 0.424 449 L N 1.351 122.645 121.223 0.118 0.000 2.017 449 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 449 L C 2.575 179.483 176.870 0.064 0.000 1.073 449 L CA 2.162 57.053 54.840 0.085 0.000 0.745 449 L CB -0.752 41.362 42.059 0.092 0.000 0.894 449 L HN 0.183 nan 8.230 nan 0.000 0.432 450 A N -0.593 122.267 122.820 0.066 0.000 1.933 450 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 450 A C 2.388 179.995 177.584 0.038 0.000 1.175 450 A CA 1.535 53.597 52.037 0.043 0.000 0.628 450 A CB -0.536 18.489 19.000 0.041 0.000 0.814 450 A HN 0.454 nan 8.150 nan 0.000 0.444 451 R N -0.689 119.841 120.500 0.049 0.000 2.075 451 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 451 R C 2.094 178.415 176.300 0.035 0.000 1.126 451 R CA 1.897 58.022 56.100 0.042 0.000 0.963 451 R CB -1.007 29.323 30.300 0.049 0.000 0.858 451 R HN 0.609 nan 8.270 nan 0.000 0.435 452 T N 1.229 115.806 114.554 0.037 0.000 2.985 452 T HA -0.031 4.318 4.350 -0.001 0.000 0.266 452 T C 1.774 176.490 174.700 0.026 0.000 1.076 452 T CA 0.387 62.504 62.100 0.029 0.000 1.135 452 T CB -0.037 68.847 68.868 0.028 0.000 0.890 452 T HN -0.018 nan 8.240 nan 0.000 0.480 453 L N 1.279 122.518 121.223 0.026 0.000 2.109 453 L HA 0.291 4.630 4.340 -0.001 0.000 0.207 453 L C 2.645 179.525 176.870 0.017 0.000 1.086 453 L CA 1.073 55.925 54.840 0.021 0.000 0.760 453 L CB -1.040 41.029 42.059 0.018 0.000 0.910 453 L HN 0.260 nan 8.230 nan 0.000 0.437 454 A N -1.466 121.365 122.820 0.018 0.000 2.016 454 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 454 A C 2.278 179.874 177.584 0.021 0.000 1.162 454 A CA 1.034 53.081 52.037 0.016 0.000 0.662 454 A CB -0.313 18.696 19.000 0.016 0.000 0.812 454 A HN 0.327 nan 8.150 nan 0.000 0.450 455 K N -0.751 119.664 120.400 0.025 0.000 2.288 455 K HA -0.085 4.234 4.320 -0.001 0.000 0.201 455 K C 2.134 178.752 176.600 0.029 0.000 1.048 455 K CA 1.109 57.414 56.287 0.030 0.000 0.956 455 K CB -0.016 32.503 32.500 0.032 0.000 0.746 455 K HN 0.618 nan 8.250 nan 0.000 0.461 456 Q N 0.628 120.443 119.800 0.025 0.000 2.212 456 Q HA -0.068 4.271 4.340 -0.001 0.000 0.199 456 Q C 1.076 177.088 176.000 0.021 0.000 0.950 456 Q CA 0.869 56.686 55.803 0.024 0.000 0.863 456 Q CB 0.420 29.171 28.738 0.021 0.000 0.944 456 Q HN 0.242 nan 8.270 nan 0.000 0.465 457 E N -0.975 119.236 120.200 0.018 0.000 2.502 457 E HA -0.008 4.341 4.350 -0.001 0.000 0.194 457 E C 0.862 177.471 176.600 0.016 0.000 1.062 457 E CA 0.259 56.668 56.400 0.015 0.000 0.867 457 E CB 0.432 30.138 29.700 0.011 0.000 0.888 457 E HN 0.331 nan 8.360 nan 0.000 0.510 458 A N 1.264 124.096 122.820 0.020 0.000 1.963 458 A HA -0.059 4.261 4.320 -0.001 0.000 0.207 458 A C 1.879 179.477 177.584 0.023 0.000 1.243 458 A CA 0.158 52.208 52.037 0.021 0.000 0.728 458 A CB -0.002 19.012 19.000 0.024 0.000 0.895 458 A HN 0.229 nan 8.150 nan 0.000 0.467 459 E N -0.303 119.913 120.200 0.027 0.000 2.482 459 E HA 0.011 4.360 4.350 -0.001 0.000 0.196 459 E C 0.401 177.015 176.600 0.023 0.000 1.047 459 E CA 0.376 56.793 56.400 0.028 0.000 0.869 459 E CB 0.017 29.738 29.700 0.035 0.000 0.836 459 E HN 0.662 nan 8.360 nan 0.000 0.520 460 Q N 0.000 119.812 119.800 0.020 0.000 2.315 460 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 460 Q CA 0.000 55.813 55.803 0.017 0.000 1.022 460 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481