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 1ots_1_A DATA FIRST_RESID 17 DATA SEQUENCE RRRQLIRQLL ERDKTPLAIL FMAAVVGTLV GLAAVAFDKG VAWLQNQRMG DATA SEQUENCE ALVHTADNYP LLLTVAFLCS AVLAMFGYFL VRKYAPEAGG SGIPEIEGAL DATA SEQUENCE EDQRPVRWWR VLPVKFFGGL GTLGGGMVLG REGPTVQIGG NIGRMVLDIF DATA SEQUENCE RLKGDEARHT LLATGAAAGL AAAFNAPLAG ILFIIEEMRP QFRYTLISIK DATA SEQUENCE AVFIGVIMST IMYRIFNHEV ALIDVGKLSD APLNTLWLYL ILGIIFGIFG DATA SEQUENCE PIFNKWVLGM QDLLHRVHGG NITKWVLMGG AIGGLCGLLG FVAPATSGGG DATA SEQUENCE FNLIPIATAG NFSMGMLVFI FVARVITTLL CFSSGAPGGI FAPMLALGTV DATA SEQUENCE LGTAFGMVAV ELFPQYHLEA GTFAIAGMGA LLAASIRAPL TGIILVLEMT DATA SEQUENCE DNYQLILPMI ITGLGATLLA 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 0.000 176.291 176.300 -0.015 0.000 0.893 17 R CA 0.000 56.091 56.100 -0.014 0.000 0.921 17 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 18 R N 1.736 122.230 120.500 -0.011 0.000 2.170 18 R HA -0.042 4.294 4.340 -0.008 0.000 0.242 18 R C 1.901 178.195 176.300 -0.010 0.000 1.145 18 R CA 2.120 58.214 56.100 -0.010 0.000 0.984 18 R CB -0.095 30.201 30.300 -0.007 0.000 0.869 18 R HN 0.325 nan 8.270 nan 0.000 0.455 19 R N 0.020 120.514 120.500 -0.010 0.000 2.153 19 R HA -0.066 4.269 4.340 -0.008 0.000 0.218 19 R C 2.326 178.619 176.300 -0.012 0.000 1.072 19 R CA 1.173 57.267 56.100 -0.010 0.000 0.990 19 R CB 0.007 30.302 30.300 -0.008 0.000 0.889 19 R HN 0.330 nan 8.270 nan 0.000 0.452 20 Q N 0.148 119.939 119.800 -0.015 0.000 2.062 20 Q HA -0.141 4.195 4.340 -0.008 0.000 0.196 20 Q C 1.974 177.961 176.000 -0.022 0.000 0.967 20 Q CA 1.113 56.904 55.803 -0.019 0.000 0.832 20 Q CB -0.027 28.697 28.738 -0.024 0.000 0.899 20 Q HN 0.297 nan 8.270 nan 0.000 0.442 21 L N 1.316 122.526 121.223 -0.023 0.000 1.990 21 L HA -0.233 4.102 4.340 -0.008 0.000 0.213 21 L C 2.132 178.992 176.870 -0.017 0.000 1.072 21 L CA 1.799 56.625 54.840 -0.023 0.000 0.755 21 L CB -0.640 41.407 42.059 -0.020 0.000 0.889 21 L HN 0.347 nan 8.230 nan 0.000 0.432 22 I N -0.814 119.748 120.570 -0.013 0.000 2.194 22 I HA -0.360 3.806 4.170 -0.008 0.000 0.246 22 I C 2.658 178.769 176.117 -0.010 0.000 1.093 22 I CA 1.607 62.901 61.300 -0.010 0.000 1.355 22 I CB -0.462 37.534 38.000 -0.008 0.000 1.046 22 I HN 0.343 nan 8.210 nan 0.000 0.413 23 R N 1.384 121.877 120.500 -0.011 0.000 2.081 23 R HA -0.193 4.142 4.340 -0.008 0.000 0.235 23 R C 2.105 178.399 176.300 -0.010 0.000 1.131 23 R CA 1.784 57.878 56.100 -0.010 0.000 0.960 23 R CB -0.543 29.751 30.300 -0.011 0.000 0.856 23 R HN 0.428 nan 8.270 nan 0.000 0.436 24 Q N -0.143 119.648 119.800 -0.014 0.000 2.049 24 Q HA -0.039 4.296 4.340 -0.008 0.000 0.198 24 Q C 2.238 178.234 176.000 -0.007 0.000 0.971 24 Q CA 1.632 57.427 55.803 -0.014 0.000 0.833 24 Q CB -0.153 28.568 28.738 -0.028 0.000 0.896 24 Q HN 0.317 nan 8.270 nan 0.000 0.434 25 L N 0.557 121.776 121.223 -0.008 0.000 1.971 25 L HA -0.262 4.073 4.340 -0.008 0.000 0.215 25 L C 2.329 179.197 176.870 -0.003 0.000 1.072 25 L CA 1.302 56.140 54.840 -0.004 0.000 0.758 25 L CB -0.696 41.360 42.059 -0.005 0.000 0.889 25 L HN 0.284 nan 8.230 nan 0.000 0.433 26 L N -0.647 120.574 121.223 -0.004 0.000 2.349 26 L HA -0.177 4.158 4.340 -0.008 0.000 0.220 26 L C 1.917 178.786 176.870 -0.002 0.000 1.130 26 L CA 0.780 55.618 54.840 -0.004 0.000 0.791 26 L CB -0.345 41.711 42.059 -0.005 0.000 0.918 26 L HN 0.294 nan 8.230 nan 0.000 0.444 27 E N -0.472 119.728 120.200 -0.001 0.000 2.538 27 E HA 0.104 4.449 4.350 -0.008 0.000 0.207 27 E C 0.428 177.032 176.600 0.008 0.000 1.002 27 E CA -0.114 56.288 56.400 0.002 0.000 0.952 27 E CB 0.303 30.005 29.700 0.002 0.000 1.031 27 E HN 0.317 nan 8.360 nan 0.000 0.476 28 R N 1.807 122.312 120.500 0.008 0.000 2.643 28 R HA -0.038 4.298 4.340 -0.008 0.000 0.270 28 R C -0.234 176.072 176.300 0.011 0.000 1.061 28 R CA 0.271 56.380 56.100 0.015 0.000 1.107 28 R CB 0.265 30.573 30.300 0.014 0.000 0.999 28 R HN -0.161 nan 8.270 nan 0.000 0.460 29 D N 2.112 122.523 120.400 0.018 0.000 2.746 29 D HA -0.153 4.482 4.640 -0.008 0.000 0.241 29 D C -1.434 174.868 176.300 0.004 0.000 1.140 29 D CA 1.200 55.205 54.000 0.007 0.000 0.707 29 D CB -0.521 40.275 40.800 -0.008 0.000 1.034 29 D HN 0.562 nan 8.370 nan 0.000 0.423 30 K N 1.098 121.505 120.400 0.012 0.000 2.646 30 K HA 0.306 4.621 4.320 -0.008 0.000 0.210 30 K C -0.640 175.969 176.600 0.014 0.000 1.020 30 K CA -0.621 55.671 56.287 0.009 0.000 1.040 30 K CB 1.330 33.835 32.500 0.008 0.000 1.253 30 K HN 0.013 nan 8.250 nan 0.000 0.532 31 T N 2.985 117.547 114.554 0.013 0.000 2.771 31 T HA 0.240 4.586 4.350 -0.008 0.000 0.291 31 T C -2.350 172.360 174.700 0.016 0.000 0.954 31 T CA -1.668 60.443 62.100 0.018 0.000 1.045 31 T CB 0.824 69.704 68.868 0.019 0.000 0.917 31 T HN 0.160 nan 8.240 nan 0.000 0.484 32 P HA 0.012 nan 4.420 nan 0.000 0.260 32 P C 1.023 178.334 177.300 0.019 0.000 1.172 32 P CA -0.028 63.081 63.100 0.015 0.000 0.760 32 P CB 0.399 32.108 31.700 0.016 0.000 0.773 33 L N 3.730 124.961 121.223 0.013 0.000 2.189 33 L HA -0.286 4.049 4.340 -0.008 0.000 0.214 33 L C 1.968 178.864 176.870 0.042 0.000 1.097 33 L CA 1.937 56.789 54.840 0.020 0.000 0.764 33 L CB -0.414 41.642 42.059 -0.006 0.000 0.900 33 L HN 0.438 nan 8.230 nan 0.000 0.436 34 A N 0.177 123.013 122.820 0.027 0.000 1.902 34 A HA -0.210 4.106 4.320 -0.008 0.000 0.217 34 A C 2.116 179.737 177.584 0.061 0.000 1.181 34 A CA 1.888 53.950 52.037 0.042 0.000 0.623 34 A CB -0.713 18.298 19.000 0.018 0.000 0.818 34 A HN 0.502 nan 8.150 nan 0.000 0.443 35 I N -0.220 120.374 120.570 0.041 0.000 2.226 35 I HA -0.259 3.906 4.170 -0.008 0.000 0.245 35 I C 2.372 178.508 176.117 0.032 0.000 1.100 35 I CA 1.046 62.365 61.300 0.031 0.000 1.374 35 I CB -0.335 37.681 38.000 0.026 0.000 1.057 35 I HN 0.317 nan 8.210 nan 0.000 0.413 36 L N -0.352 120.901 121.223 0.050 0.000 1.994 36 L HA -0.243 4.093 4.340 -0.008 0.000 0.208 36 L C 2.617 179.524 176.870 0.062 0.000 1.071 36 L CA 1.495 56.367 54.840 0.053 0.000 0.745 36 L CB -0.740 41.355 42.059 0.060 0.000 0.892 36 L HN 0.203 nan 8.230 nan 0.000 0.431 37 F N 0.147 120.066 119.950 -0.051 0.000 2.216 37 F HA -0.204 4.319 4.527 -0.007 0.000 0.300 37 F C 2.455 178.197 175.800 -0.096 0.000 1.085 37 F CA 1.301 59.258 58.000 -0.072 0.000 1.326 37 F CB -0.041 38.904 39.000 -0.093 0.000 1.027 37 F HN -0.012 nan 8.300 nan 0.000 0.497 38 M N -0.132 119.390 119.600 -0.130 0.000 2.419 38 M HA 0.045 4.521 4.480 -0.008 0.000 0.264 38 M C 2.385 178.571 176.300 -0.191 0.000 1.082 38 M CA 1.136 56.298 55.300 -0.230 0.000 1.119 38 M CB -1.689 30.852 32.600 -0.099 0.000 1.398 38 M HN 0.297 nan 8.290 nan 0.000 0.453 39 A N 0.069 122.815 122.820 -0.123 0.000 1.968 39 A HA 0.110 4.425 4.320 -0.008 0.000 0.217 39 A C 2.400 179.908 177.584 -0.127 0.000 1.169 39 A CA 1.612 53.597 52.037 -0.086 0.000 0.638 39 A CB -0.590 18.392 19.000 -0.030 0.000 0.812 39 A HN 0.427 nan 8.150 nan 0.000 0.446 40 A N -0.582 122.118 122.820 -0.200 0.000 1.855 40 A HA -0.010 4.305 4.320 -0.008 0.000 0.215 40 A C 2.306 179.726 177.584 -0.273 0.000 1.191 40 A CA 1.681 53.582 52.037 -0.227 0.000 0.613 40 A CB -1.184 17.643 19.000 -0.289 0.000 0.829 40 A HN 0.825 nan 8.150 nan 0.000 0.442 41 V N -0.210 119.451 119.914 -0.422 0.000 2.392 41 V HA -0.196 3.919 4.120 -0.008 0.000 0.249 41 V C 2.377 178.365 176.094 -0.177 0.000 1.059 41 V CA 2.446 64.554 62.300 -0.321 0.000 1.051 41 V CB -0.431 31.167 31.823 -0.375 0.000 0.658 41 V HN 0.309 nan 8.190 nan 0.000 0.455 42 V N 0.937 120.757 119.914 -0.156 0.000 2.237 42 V HA -0.137 3.978 4.120 -0.008 0.000 0.245 42 V C 2.782 178.819 176.094 -0.095 0.000 1.046 42 V CA 2.284 64.520 62.300 -0.107 0.000 1.007 42 V CB -1.600 30.170 31.823 -0.089 0.000 0.638 42 V HN 0.634 nan 8.190 nan 0.000 0.445 43 G N -0.471 108.275 108.800 -0.090 0.000 2.513 43 G HA2 -0.319 3.636 3.960 -0.008 0.000 0.219 43 G HA3 -0.319 3.636 3.960 -0.008 0.000 0.219 43 G C 1.681 176.545 174.900 -0.061 0.000 1.160 43 G CA 1.845 46.904 45.100 -0.069 0.000 0.767 43 G HN 0.480 nan 8.290 nan 0.000 0.571 44 T N 1.328 115.840 114.554 -0.071 0.000 2.684 44 T HA -0.056 4.289 4.350 -0.008 0.000 0.267 44 T C 2.431 177.099 174.700 -0.054 0.000 1.036 44 T CA 1.153 63.222 62.100 -0.052 0.000 1.148 44 T CB -0.226 68.604 68.868 -0.063 0.000 0.863 44 T HN 0.183 nan 8.240 nan 0.000 0.436 45 L N 0.662 121.841 121.223 -0.074 0.000 2.017 45 L HA -0.075 4.260 4.340 -0.008 0.000 0.208 45 L C 2.706 179.526 176.870 -0.083 0.000 1.073 45 L CA 0.929 55.720 54.840 -0.081 0.000 0.745 45 L CB -0.812 41.192 42.059 -0.093 0.000 0.894 45 L HN 0.148 nan 8.230 nan 0.000 0.432 46 V N 0.379 120.246 119.914 -0.079 0.000 2.343 46 V HA -0.214 3.901 4.120 -0.008 0.000 0.247 46 V C 2.637 178.698 176.094 -0.057 0.000 1.051 46 V CA 2.045 64.300 62.300 -0.075 0.000 1.036 46 V CB -1.299 30.478 31.823 -0.076 0.000 0.654 46 V HN 0.573 nan 8.190 nan 0.000 0.451 47 G N -0.356 108.420 108.800 -0.041 0.000 2.404 47 G HA2 -0.180 3.775 3.960 -0.008 0.000 0.215 47 G HA3 -0.180 3.775 3.960 -0.008 0.000 0.215 47 G C 1.582 176.462 174.900 -0.034 0.000 1.174 47 G CA 0.789 45.883 45.100 -0.009 0.000 0.780 47 G HN 0.453 nan 8.290 nan 0.000 0.537 48 L N 0.596 121.778 121.223 -0.068 0.000 2.083 48 L HA -0.051 4.284 4.340 -0.008 0.000 0.209 48 L C 3.376 180.171 176.870 -0.125 0.000 1.083 48 L CA 0.965 55.722 54.840 -0.139 0.000 0.752 48 L CB -0.372 41.618 42.059 -0.115 0.000 0.899 48 L HN 0.328 nan 8.230 nan 0.000 0.433 49 A N -0.039 122.734 122.820 -0.078 0.000 1.930 49 A HA -0.085 4.231 4.320 -0.008 0.000 0.217 49 A C 2.515 180.154 177.584 0.091 0.000 1.175 49 A CA 1.487 53.505 52.037 -0.031 0.000 0.627 49 A CB -0.520 18.435 19.000 -0.075 0.000 0.815 49 A HN 0.383 nan 8.150 nan 0.000 0.443 50 A N -0.561 122.283 122.820 0.041 0.000 1.930 50 A HA 0.066 4.382 4.320 -0.008 0.000 0.217 50 A C 2.204 179.864 177.584 0.126 0.000 1.175 50 A CA 1.607 53.699 52.037 0.091 0.000 0.627 50 A CB -0.775 18.244 19.000 0.033 0.000 0.815 50 A HN 0.324 nan 8.150 nan 0.000 0.443 51 V N -0.061 119.865 119.914 0.020 0.000 2.261 51 V HA -0.254 3.861 4.120 -0.008 0.000 0.246 51 V C 3.092 179.153 176.094 -0.055 0.000 1.047 51 V CA 1.959 64.213 62.300 -0.078 0.000 1.015 51 V CB -1.312 30.283 31.823 -0.379 0.000 0.642 51 V HN 0.609 nan 8.190 nan 0.000 0.446 52 A N -0.323 122.477 122.820 -0.032 0.000 1.892 52 A HA -0.304 4.011 4.320 -0.008 0.000 0.218 52 A C 2.135 179.813 177.584 0.158 0.000 1.188 52 A CA 2.432 54.514 52.037 0.075 0.000 0.631 52 A CB -0.837 18.250 19.000 0.144 0.000 0.822 52 A HN 0.533 nan 8.150 nan 0.000 0.447 53 F N 1.100 121.086 119.950 0.061 0.000 2.069 53 F HA -0.197 4.326 4.527 -0.008 0.000 0.298 53 F C 1.936 177.642 175.800 -0.158 0.000 1.113 53 F CA 2.262 60.120 58.000 -0.238 0.000 1.214 53 F CB -0.661 38.223 39.000 -0.194 0.000 0.978 53 F HN 0.388 nan 8.300 nan 0.000 0.474 54 D N 0.011 120.377 120.400 -0.056 0.000 2.133 54 D HA -0.210 4.425 4.640 -0.008 0.000 0.195 54 D C 2.056 178.284 176.300 -0.120 0.000 0.997 54 D CA 1.587 55.526 54.000 -0.102 0.000 0.840 54 D CB -0.064 40.777 40.800 0.069 0.000 0.947 54 D HN 0.103 nan 8.370 nan 0.000 0.452 55 K N -0.132 120.226 120.400 -0.071 0.000 2.057 55 K HA 0.005 4.320 4.320 -0.008 0.000 0.206 55 K C 2.253 178.840 176.600 -0.022 0.000 1.050 55 K CA 1.158 57.429 56.287 -0.026 0.000 0.935 55 K CB -0.883 31.604 32.500 -0.022 0.000 0.715 55 K HN 0.294 nan 8.250 nan 0.000 0.439 56 G N 1.203 109.936 108.800 -0.111 0.000 2.418 56 G HA2 -0.198 3.757 3.960 -0.008 0.000 0.217 56 G HA3 -0.198 3.757 3.960 -0.008 0.000 0.217 56 G C 1.740 176.591 174.900 -0.081 0.000 1.158 56 G CA 0.856 45.898 45.100 -0.097 0.000 0.771 56 G HN 0.102 nan 8.290 nan 0.000 0.545 57 V N 1.724 121.455 119.914 -0.306 0.000 2.255 57 V HA -0.178 3.937 4.120 -0.008 0.000 0.247 57 V C 3.371 179.416 176.094 -0.082 0.000 1.051 57 V CA 2.182 64.319 62.300 -0.272 0.000 1.018 57 V CB -1.073 30.484 31.823 -0.444 0.000 0.641 57 V HN 0.478 nan 8.190 nan 0.000 0.445 58 A N -1.128 121.666 122.820 -0.044 0.000 1.948 58 A HA -0.312 4.003 4.320 -0.008 0.000 0.220 58 A C 1.968 179.601 177.584 0.082 0.000 1.177 58 A CA 2.231 54.283 52.037 0.025 0.000 0.636 58 A CB -0.987 18.040 19.000 0.046 0.000 0.815 58 A HN 0.770 nan 8.150 nan 0.000 0.449 59 W N 0.388 121.650 121.300 -0.063 0.000 2.388 59 W HA -0.088 4.568 4.660 -0.007 0.000 0.294 59 W C 1.759 178.254 176.519 -0.040 0.000 1.212 59 W CA 1.732 59.053 57.345 -0.039 0.000 1.271 59 W CB -0.209 29.229 29.460 -0.036 0.000 1.126 59 W HN 0.254 nan 8.180 nan 0.000 0.535 60 L N 0.134 121.416 121.223 0.098 0.000 2.027 60 L HA -0.227 4.108 4.340 -0.008 0.000 0.206 60 L C 2.607 179.380 176.870 -0.161 0.000 1.074 60 L CA 1.548 56.338 54.840 -0.084 0.000 0.745 60 L CB -1.063 41.026 42.059 0.050 0.000 0.898 60 L HN 0.012 nan 8.230 nan 0.000 0.433 61 Q N -0.374 119.374 119.800 -0.087 0.000 2.226 61 Q HA -0.225 4.110 4.340 -0.008 0.000 0.204 61 Q C 1.927 177.865 176.000 -0.102 0.000 0.975 61 Q CA 1.547 57.308 55.803 -0.070 0.000 0.866 61 Q CB -0.287 28.434 28.738 -0.029 0.000 0.915 61 Q HN 0.545 nan 8.270 nan 0.000 0.440 62 N N -0.046 118.560 118.700 -0.156 0.000 2.051 62 N HA -0.202 4.534 4.740 -0.008 0.000 0.192 62 N C 1.732 177.084 175.510 -0.264 0.000 1.049 62 N CA 0.856 53.794 53.050 -0.186 0.000 0.845 62 N CB 0.190 38.545 38.487 -0.219 0.000 1.031 62 N HN 0.155 nan 8.380 nan 0.000 0.425 63 Q N 0.994 120.510 119.800 -0.473 0.000 2.096 63 Q HA -0.176 4.159 4.340 -0.008 0.000 0.208 63 Q C 2.179 178.025 176.000 -0.256 0.000 0.993 63 Q CA 1.435 56.957 55.803 -0.468 0.000 0.862 63 Q CB -0.601 27.704 28.738 -0.721 0.000 0.915 63 Q HN 0.468 nan 8.270 nan 0.000 0.416 64 R N -0.025 120.353 120.500 -0.205 0.000 2.083 64 R HA -0.064 4.272 4.340 -0.008 0.000 0.237 64 R C 2.272 178.522 176.300 -0.084 0.000 1.137 64 R CA 1.500 57.528 56.100 -0.119 0.000 0.951 64 R CB -0.386 29.864 30.300 -0.084 0.000 0.851 64 R HN 0.265 nan 8.270 nan 0.000 0.434 65 M N 0.241 119.802 119.600 -0.066 0.000 2.630 65 M HA -0.027 4.449 4.480 -0.008 0.000 0.254 65 M C 1.556 177.841 176.300 -0.026 0.000 1.092 65 M CA 1.186 56.476 55.300 -0.017 0.000 1.087 65 M CB 0.240 32.849 32.600 0.015 0.000 1.453 65 M HN 0.227 nan 8.290 nan 0.000 0.509 66 G N -0.912 107.847 108.800 -0.068 0.000 2.603 66 G HA2 0.080 4.035 3.960 -0.008 0.000 0.214 66 G HA3 0.080 4.035 3.960 -0.008 0.000 0.214 66 G C 1.365 176.243 174.900 -0.036 0.000 1.140 66 G CA 0.547 45.612 45.100 -0.058 0.000 0.800 66 G HN 0.548 nan 8.290 nan 0.000 0.533 67 A N 0.726 123.516 122.820 -0.050 0.000 1.970 67 A HA 0.271 4.587 4.320 -0.008 0.000 0.216 67 A C 1.921 179.499 177.584 -0.010 0.000 1.170 67 A CA 0.332 52.359 52.037 -0.016 0.000 0.645 67 A CB -0.258 18.718 19.000 -0.040 0.000 0.816 67 A HN 0.284 nan 8.150 nan 0.000 0.447 68 L N 0.466 121.654 121.223 -0.057 0.000 2.798 68 L HA 0.008 4.343 4.340 -0.008 0.000 0.254 68 L C 0.905 177.752 176.870 -0.038 0.000 1.176 68 L CA -0.014 54.756 54.840 -0.115 0.000 0.991 68 L CB -0.216 41.729 42.059 -0.190 0.000 1.225 68 L HN 0.249 nan 8.230 nan 0.000 0.420 69 V N -2.611 117.311 119.914 0.014 0.000 3.251 69 V HA -0.072 4.043 4.120 -0.008 0.000 0.239 69 V C 1.840 177.970 176.094 0.060 0.000 1.332 69 V CA 0.176 62.502 62.300 0.044 0.000 1.224 69 V CB 0.091 31.945 31.823 0.052 0.000 1.004 69 V HN 0.417 nan 8.190 nan 0.000 0.464 70 H N 1.852 120.907 119.070 -0.026 0.000 2.559 70 H HA -0.003 4.548 4.556 -0.008 0.000 0.273 70 H C 1.312 176.624 175.328 -0.026 0.000 1.000 70 H CA 1.727 57.762 56.048 -0.023 0.000 1.195 70 H CB 0.186 29.930 29.762 -0.029 0.000 1.368 70 H HN 0.537 nan 8.280 nan 0.000 0.592 71 T N -4.130 110.348 114.554 -0.127 0.000 3.714 71 T HA 0.453 4.798 4.350 -0.008 0.000 0.309 71 T C 1.132 175.773 174.700 -0.098 0.000 0.958 71 T CA -0.059 61.941 62.100 -0.167 0.000 1.010 71 T CB -0.305 68.469 68.868 -0.156 0.000 1.202 71 T HN 0.244 nan 8.240 nan 0.000 0.476 72 A N 1.553 124.348 122.820 -0.042 0.000 2.238 72 A HA 0.168 4.484 4.320 -0.008 0.000 0.208 72 A C 1.976 179.597 177.584 0.062 0.000 1.177 72 A CA 0.911 52.963 52.037 0.026 0.000 0.804 72 A CB -0.242 18.800 19.000 0.068 0.000 0.823 72 A HN 0.726 nan 8.150 nan 0.000 0.482 73 D N -0.155 120.256 120.400 0.018 0.000 2.320 73 D HA -0.121 4.514 4.640 -0.008 0.000 0.228 73 D C 0.854 177.185 176.300 0.051 0.000 0.978 73 D CA 0.508 54.527 54.000 0.031 0.000 0.905 73 D CB -1.033 39.766 40.800 -0.003 0.000 1.051 73 D HN 0.425 nan 8.370 nan 0.000 0.471 74 N N -0.074 118.634 118.700 0.014 0.000 2.671 74 N HA -0.067 4.668 4.740 -0.008 0.000 0.274 74 N C 0.533 176.078 175.510 0.058 0.000 1.188 74 N CA -0.370 52.696 53.050 0.027 0.000 1.065 74 N CB -0.155 38.318 38.487 -0.023 0.000 1.415 74 N HN 0.031 nan 8.380 nan 0.000 0.511 75 Y N 4.766 125.063 120.300 -0.004 0.000 2.096 75 Y HA -0.219 4.327 4.550 -0.006 0.000 0.276 75 Y C -1.139 174.759 175.900 -0.004 0.000 1.209 75 Y CA 2.028 60.138 58.100 0.017 0.000 1.137 75 Y CB -0.940 37.551 38.460 0.052 0.000 0.956 75 Y HN 0.575 nan 8.280 nan 0.000 0.506 76 P HA -0.168 nan 4.420 nan 0.000 0.217 76 P C 1.747 178.961 177.300 -0.144 0.000 1.150 76 P CA 1.548 64.585 63.100 -0.106 0.000 0.832 76 P CB -0.167 31.529 31.700 -0.006 0.000 0.787 77 L N -1.220 119.940 121.223 -0.105 0.000 2.275 77 L HA -0.045 4.290 4.340 -0.008 0.000 0.215 77 L C 1.963 178.740 176.870 -0.154 0.000 1.119 77 L CA 1.412 56.187 54.840 -0.108 0.000 0.790 77 L CB -1.195 40.812 42.059 -0.087 0.000 0.919 77 L HN -0.102 nan 8.230 nan 0.000 0.443 78 L N -1.271 119.822 121.223 -0.216 0.000 2.034 78 L HA -0.117 4.219 4.340 -0.008 0.000 0.203 78 L C 2.194 178.839 176.870 -0.376 0.000 1.074 78 L CA 1.178 55.828 54.840 -0.318 0.000 0.748 78 L CB -0.234 41.601 42.059 -0.373 0.000 0.905 78 L HN 0.202 nan 8.230 nan 0.000 0.439 79 L N -0.436 120.521 121.223 -0.444 0.000 2.447 79 L HA -0.185 4.150 4.340 -0.008 0.000 0.225 79 L C 2.134 178.916 176.870 -0.146 0.000 1.148 79 L CA 1.006 55.658 54.840 -0.314 0.000 0.808 79 L CB -1.026 40.815 42.059 -0.365 0.000 0.928 79 L HN 0.393 nan 8.230 nan 0.000 0.448 80 T N -0.508 113.956 114.554 -0.150 0.000 2.866 80 T HA -0.068 4.277 4.350 -0.008 0.000 0.250 80 T C 1.937 176.633 174.700 -0.007 0.000 1.033 80 T CA 1.253 63.307 62.100 -0.078 0.000 1.145 80 T CB -0.050 68.760 68.868 -0.096 0.000 0.866 80 T HN 0.312 nan 8.240 nan 0.000 0.434 81 V N 1.025 120.905 119.914 -0.058 0.000 2.626 81 V HA 0.066 4.181 4.120 -0.008 0.000 0.252 81 V C 2.601 178.679 176.094 -0.028 0.000 1.067 81 V CA 1.343 63.623 62.300 -0.034 0.000 1.081 81 V CB -1.560 30.226 31.823 -0.061 0.000 0.686 81 V HN 0.407 nan 8.190 nan 0.000 0.468 82 A N 0.416 123.195 122.820 -0.068 0.000 1.858 82 A HA -0.105 4.210 4.320 -0.008 0.000 0.216 82 A C 2.078 179.682 177.584 0.034 0.000 1.190 82 A CA 1.944 53.950 52.037 -0.052 0.000 0.617 82 A CB -0.884 18.057 19.000 -0.098 0.000 0.827 82 A HN 0.618 nan 8.150 nan 0.000 0.443 83 F N 0.831 120.747 119.950 -0.056 0.000 2.051 83 F HA -0.145 4.376 4.527 -0.009 0.000 0.296 83 F C 2.018 177.809 175.800 -0.015 0.000 1.122 83 F CA 1.791 59.777 58.000 -0.023 0.000 1.201 83 F CB -0.491 38.492 39.000 -0.028 0.000 0.978 83 F HN 0.141 nan 8.300 nan 0.000 0.472 84 L N -0.588 120.855 121.223 0.367 0.000 2.013 84 L HA -0.352 3.984 4.340 -0.008 0.000 0.212 84 L C 2.710 179.624 176.870 0.073 0.000 1.073 84 L CA 1.710 56.689 54.840 0.232 0.000 0.753 84 L CB -1.441 40.702 42.059 0.141 0.000 0.890 84 L HN 0.307 nan 8.230 nan 0.000 0.432 85 C N -0.618 118.700 119.300 0.030 0.000 2.413 85 C HA -0.173 4.282 4.460 -0.008 0.000 0.276 85 C C 3.173 178.149 174.990 -0.022 0.000 1.236 85 C CA 1.376 60.391 59.018 -0.006 0.000 1.735 85 C CB -0.783 26.941 27.740 -0.027 0.000 2.031 85 C HN 0.528 nan 8.230 nan 0.000 0.474 86 S N 0.689 116.353 115.700 -0.059 0.000 2.382 86 S HA -0.082 4.384 4.470 -0.008 0.000 0.228 86 S C 2.113 176.656 174.600 -0.096 0.000 1.027 86 S CA 1.264 59.416 58.200 -0.080 0.000 0.991 86 S CB -0.409 62.714 63.200 -0.128 0.000 0.823 86 S HN 0.721 nan 8.310 nan 0.000 0.469 87 A N 1.193 123.911 122.820 -0.169 0.000 1.873 87 A HA -0.005 4.310 4.320 -0.008 0.000 0.215 87 A C 2.310 179.901 177.584 0.010 0.000 1.186 87 A CA 1.354 53.308 52.037 -0.138 0.000 0.616 87 A CB -0.865 18.053 19.000 -0.135 0.000 0.823 87 A HN 0.338 nan 8.150 nan 0.000 0.442 88 V N 0.243 120.180 119.914 0.039 0.000 2.490 88 V HA -0.231 3.884 4.120 -0.008 0.000 0.250 88 V C 2.490 178.660 176.094 0.127 0.000 1.061 88 V CA 1.800 64.147 62.300 0.078 0.000 1.064 88 V CB -0.755 31.101 31.823 0.055 0.000 0.670 88 V HN 0.530 nan 8.190 nan 0.000 0.461 89 L N -0.187 121.097 121.223 0.101 0.000 2.095 89 L HA -0.017 4.318 4.340 -0.008 0.000 0.204 89 L C 2.768 179.792 176.870 0.256 0.000 1.080 89 L CA 1.270 56.201 54.840 0.151 0.000 0.759 89 L CB -0.819 41.288 42.059 0.080 0.000 0.914 89 L HN 0.330 nan 8.230 nan 0.000 0.439 90 A N 0.262 123.201 122.820 0.198 0.000 1.865 90 A HA -0.248 4.068 4.320 -0.008 0.000 0.217 90 A C 2.327 180.151 177.584 0.400 0.000 1.191 90 A CA 1.823 54.038 52.037 0.296 0.000 0.623 90 A CB -0.533 18.595 19.000 0.213 0.000 0.826 90 A HN 0.300 nan 8.150 nan 0.000 0.444 91 M N -1.997 117.746 119.600 0.238 0.000 2.080 91 M HA -0.147 4.328 4.480 -0.008 0.000 0.260 91 M C 2.187 178.679 176.300 0.320 0.000 1.068 91 M CA 2.141 57.566 55.300 0.208 0.000 1.109 91 M CB -0.571 32.094 32.600 0.109 0.000 1.342 91 M HN 0.552 nan 8.290 nan 0.000 0.405 92 F N 0.998 121.065 119.950 0.195 0.000 2.154 92 F HA -0.156 4.366 4.527 -0.008 0.000 0.301 92 F C 2.043 177.994 175.800 0.252 0.000 1.087 92 F CA 1.777 59.916 58.000 0.233 0.000 1.274 92 F CB -0.606 38.493 39.000 0.166 0.000 1.009 92 F HN 0.066 nan 8.300 nan 0.000 0.485 93 G N -0.867 108.119 108.800 0.310 0.000 2.434 93 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.214 93 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.214 93 G C 1.340 176.257 174.900 0.028 0.000 1.202 93 G CA 0.909 46.092 45.100 0.138 0.000 0.788 93 G HN 0.433 nan 8.290 nan 0.000 0.539 94 Y N -0.034 120.266 120.300 0.001 0.000 2.193 94 Y HA -0.081 4.464 4.550 -0.008 0.000 0.285 94 Y C 2.371 178.219 175.900 -0.087 0.000 1.166 94 Y CA 1.214 59.260 58.100 -0.090 0.000 1.181 94 Y CB -0.690 37.742 38.460 -0.046 0.000 0.976 94 Y HN 0.260 nan 8.280 nan 0.000 0.520 95 F N -0.154 119.795 119.950 -0.003 0.000 2.010 95 F HA -0.299 4.223 4.527 -0.008 0.000 0.296 95 F C 2.126 177.868 175.800 -0.097 0.000 1.146 95 F CA 0.998 58.958 58.000 -0.068 0.000 1.181 95 F CB -0.390 38.573 39.000 -0.062 0.000 0.965 95 F HN -0.107 nan 8.300 nan 0.000 0.480 96 L N 0.452 121.459 121.223 -0.361 0.000 2.103 96 L HA -0.273 4.062 4.340 -0.008 0.000 0.215 96 L C 2.311 179.052 176.870 -0.215 0.000 1.080 96 L CA 1.470 56.078 54.840 -0.386 0.000 0.764 96 L CB -1.556 40.243 42.059 -0.432 0.000 0.890 96 L HN 0.211 nan 8.230 nan 0.000 0.435 97 V N -0.728 119.052 119.914 -0.225 0.000 2.255 97 V HA -0.179 3.937 4.120 -0.008 0.000 0.243 97 V C 2.608 178.538 176.094 -0.273 0.000 1.038 97 V CA 1.199 63.357 62.300 -0.236 0.000 1.008 97 V CB -0.533 31.114 31.823 -0.293 0.000 0.645 97 V HN 0.354 nan 8.190 nan 0.000 0.449 98 R N 0.360 120.665 120.500 -0.326 0.000 2.159 98 R HA -0.162 4.174 4.340 -0.008 0.000 0.237 98 R C 2.157 178.301 176.300 -0.261 0.000 1.131 98 R CA 1.400 57.302 56.100 -0.330 0.000 0.982 98 R CB -0.432 29.683 30.300 -0.309 0.000 0.868 98 R HN 0.422 nan 8.270 nan 0.000 0.453 99 K N -0.566 119.620 120.400 -0.357 0.000 2.141 99 K HA 0.003 4.318 4.320 -0.008 0.000 0.202 99 K C 1.103 177.307 176.600 -0.660 0.000 1.045 99 K CA 1.053 56.995 56.287 -0.576 0.000 0.971 99 K CB 0.130 32.001 32.500 -1.048 0.000 0.795 99 K HN 0.075 nan 8.250 nan 0.000 0.459 100 Y N -1.153 118.955 120.300 -0.320 0.000 2.445 100 Y HA 0.531 5.076 4.550 -0.008 0.000 0.247 100 Y C -0.256 175.521 175.900 -0.205 0.000 1.129 100 Y CA -0.192 57.768 58.100 -0.232 0.000 1.251 100 Y CB 1.196 39.516 38.460 -0.232 0.000 1.176 100 Y HN 0.049 nan 8.280 nan 0.000 0.522 101 A N -0.327 122.438 122.820 -0.092 0.000 2.913 101 A HA 0.412 4.727 4.320 -0.008 0.000 0.284 101 A C -2.489 174.998 177.584 -0.161 0.000 1.273 101 A CA -0.756 51.203 52.037 -0.131 0.000 0.899 101 A CB 0.179 19.098 19.000 -0.135 0.000 1.444 101 A HN -0.043 nan 8.150 nan 0.000 0.586 102 P HA -0.219 nan 4.420 nan 0.000 0.217 102 P C 1.284 178.494 177.300 -0.150 0.000 1.148 102 P CA 1.939 64.932 63.100 -0.178 0.000 0.828 102 P CB 0.239 31.861 31.700 -0.131 0.000 0.783 103 E N -0.170 119.954 120.200 -0.127 0.000 2.208 103 E HA -0.051 4.294 4.350 -0.008 0.000 0.193 103 E C 1.642 178.174 176.600 -0.114 0.000 0.988 103 E CA 0.887 57.223 56.400 -0.107 0.000 0.828 103 E CB -0.850 28.786 29.700 -0.107 0.000 0.763 103 E HN 0.108 nan 8.360 nan 0.000 0.478 104 A N 1.736 124.475 122.820 -0.136 0.000 2.265 104 A HA 0.224 4.540 4.320 -0.008 0.000 0.213 104 A C 1.071 178.570 177.584 -0.142 0.000 1.255 104 A CA 0.389 52.347 52.037 -0.131 0.000 0.862 104 A CB -0.584 18.337 19.000 -0.133 0.000 0.852 104 A HN 0.268 nan 8.150 nan 0.000 0.484 105 G N -2.221 106.486 108.800 -0.156 0.000 2.522 105 G HA2 0.553 4.508 3.960 -0.008 0.000 0.304 105 G HA3 0.553 4.508 3.960 -0.008 0.000 0.304 105 G C 0.792 175.611 174.900 -0.135 0.000 1.210 105 G CA 0.043 45.030 45.100 -0.187 0.000 0.960 105 G HN 1.339 nan 8.290 nan 0.000 0.497 106 G N -0.380 108.314 108.800 -0.178 0.000 2.581 106 G HA2 -0.227 3.729 3.960 -0.008 0.000 0.291 106 G HA3 -0.227 3.729 3.960 -0.008 0.000 0.291 106 G C 1.564 176.528 174.900 0.108 0.000 1.277 106 G CA 1.226 46.204 45.100 -0.202 0.000 0.959 106 G HN 1.709 nan 8.290 nan 0.000 0.554 107 S N -0.617 115.325 115.700 0.404 0.000 2.404 107 S HA 0.246 4.711 4.470 -0.008 0.000 0.216 107 S C 2.359 177.044 174.600 0.141 0.000 1.039 107 S CA 3.529 61.980 58.200 0.419 0.000 1.062 107 S CB -0.714 62.821 63.200 0.557 0.000 1.046 107 S HN 2.843 nan 8.310 nan 0.000 0.415 108 G N -0.289 108.563 108.800 0.087 0.000 2.336 108 G HA2 -0.156 3.799 3.960 -0.008 0.000 0.194 108 G HA3 -0.156 3.799 3.960 -0.008 0.000 0.194 108 G C 0.903 175.768 174.900 -0.057 0.000 0.999 108 G CA 0.264 45.357 45.100 -0.011 0.000 0.669 108 G HN 0.510 nan 8.290 nan 0.000 0.482 109 I N 1.646 122.159 120.570 -0.096 0.000 2.179 109 I HA -0.064 4.101 4.170 -0.008 0.000 0.242 109 I C 0.164 176.132 176.117 -0.247 0.000 1.088 109 I CA 1.724 62.864 61.300 -0.267 0.000 1.357 109 I CB -0.879 36.745 38.000 -0.627 0.000 1.051 109 I HN 0.152 nan 8.210 nan 0.000 0.409 110 P HA -0.205 nan 4.420 nan 0.000 0.214 110 P C 1.449 178.732 177.300 -0.028 0.000 1.163 110 P CA 1.405 64.500 63.100 -0.008 0.000 0.889 110 P CB 0.065 31.845 31.700 0.132 0.000 0.790 111 E N -0.558 119.628 120.200 -0.025 0.000 2.070 111 E HA -0.183 4.162 4.350 -0.008 0.000 0.197 111 E C 1.907 178.475 176.600 -0.053 0.000 1.004 111 E CA 1.229 57.609 56.400 -0.034 0.000 0.805 111 E CB -0.979 28.696 29.700 -0.041 0.000 0.744 111 E HN 0.046 nan 8.360 nan 0.000 0.451 112 I N 1.010 121.533 120.570 -0.078 0.000 2.394 112 I HA -0.178 3.988 4.170 -0.008 0.000 0.251 112 I C 1.971 178.029 176.117 -0.098 0.000 1.136 112 I CA 1.269 62.518 61.300 -0.085 0.000 1.425 112 I CB -1.011 36.928 38.000 -0.102 0.000 1.079 112 I HN 0.264 nan 8.210 nan 0.000 0.425 113 E N 0.654 120.784 120.200 -0.116 0.000 2.110 113 E HA -0.152 4.193 4.350 -0.008 0.000 0.193 113 E C 2.293 178.852 176.600 -0.067 0.000 0.988 113 E CA 1.172 57.504 56.400 -0.115 0.000 0.804 113 E CB -0.282 29.353 29.700 -0.108 0.000 0.745 113 E HN 0.548 nan 8.360 nan 0.000 0.458 114 G N 1.445 110.222 108.800 -0.040 0.000 2.421 114 G HA2 -0.258 3.697 3.960 -0.008 0.000 0.216 114 G HA3 -0.258 3.697 3.960 -0.008 0.000 0.216 114 G C 1.723 176.612 174.900 -0.018 0.000 1.171 114 G CA 0.880 45.971 45.100 -0.016 0.000 0.775 114 G HN 0.343 nan 8.290 nan 0.000 0.543 115 A N 0.408 123.214 122.820 -0.023 0.000 1.972 115 A HA 0.104 4.420 4.320 -0.008 0.000 0.219 115 A C 2.384 179.957 177.584 -0.017 0.000 1.169 115 A CA 1.153 53.189 52.037 -0.003 0.000 0.635 115 A CB -0.325 18.675 19.000 0.000 0.000 0.810 115 A HN 0.374 nan 8.150 nan 0.000 0.446 116 L N -0.738 120.433 121.223 -0.088 0.000 2.217 116 L HA -0.069 4.266 4.340 -0.008 0.000 0.211 116 L C 1.843 178.559 176.870 -0.256 0.000 1.107 116 L CA 0.760 55.469 54.840 -0.219 0.000 0.783 116 L CB -0.272 41.651 42.059 -0.226 0.000 0.919 116 L HN 0.311 nan 8.230 nan 0.000 0.442 117 E N -0.479 119.661 120.200 -0.100 0.000 2.479 117 E HA -0.062 4.283 4.350 -0.008 0.000 0.193 117 E C -0.203 176.413 176.600 0.027 0.000 1.049 117 E CA 0.129 56.508 56.400 -0.035 0.000 0.870 117 E CB 0.078 29.780 29.700 0.005 0.000 0.944 117 E HN 0.317 nan 8.360 nan 0.000 0.492 118 D N 0.782 121.213 120.400 0.051 0.000 2.837 118 D HA -0.182 4.454 4.640 -0.008 0.000 0.230 118 D C 0.540 176.875 176.300 0.058 0.000 1.152 118 D CA 0.573 54.629 54.000 0.093 0.000 0.736 118 D CB -0.581 40.301 40.800 0.137 0.000 1.084 118 D HN 0.268 nan 8.370 nan 0.000 0.429 119 Q N -0.758 119.064 119.800 0.037 0.000 2.217 119 Q HA 0.143 4.479 4.340 -0.008 0.000 0.217 119 Q C 0.375 176.388 176.000 0.022 0.000 0.844 119 Q CA 0.345 56.165 55.803 0.028 0.000 0.957 119 Q CB 1.159 29.910 28.738 0.021 0.000 1.127 119 Q HN 0.258 nan 8.270 nan 0.000 0.503 120 R N 0.990 121.503 120.500 0.021 0.000 2.548 120 R HA 0.420 4.755 4.340 -0.008 0.000 0.280 120 R C -2.658 173.652 176.300 0.017 0.000 1.061 120 R CA -1.674 54.433 56.100 0.011 0.000 0.915 120 R CB 1.722 32.020 30.300 -0.003 0.000 1.210 120 R HN -0.057 nan 8.270 nan 0.000 0.442 121 P HA 0.184 nan 4.420 nan 0.000 0.274 121 P C -0.317 176.975 177.300 -0.013 0.000 1.246 121 P CA -0.380 62.737 63.100 0.028 0.000 0.795 121 P CB 0.945 32.669 31.700 0.039 0.000 1.006 122 V N 2.888 122.808 119.914 0.009 0.000 2.225 122 V HA 0.211 4.326 4.120 -0.008 0.000 0.264 122 V C 1.101 177.079 176.094 -0.193 0.000 1.067 122 V CA -0.473 61.810 62.300 -0.027 0.000 0.903 122 V CB -0.275 31.597 31.823 0.082 0.000 1.136 122 V HN 0.434 nan 8.190 nan 0.000 0.456 123 R N 3.722 123.908 120.500 -0.524 0.000 4.154 123 R HA 0.017 4.352 4.340 -0.008 0.000 0.186 123 R C 1.499 176.959 176.300 -1.400 0.000 1.750 123 R CA -0.198 54.994 56.100 -1.513 0.000 1.431 123 R CB -0.070 29.573 30.300 -1.095 0.000 1.383 123 R HN 0.929 nan 8.270 nan 0.000 0.788 124 W N 1.300 122.100 121.300 -0.833 0.000 2.342 124 W HA -0.235 4.420 4.660 -0.008 0.000 0.297 124 W C 0.762 177.099 176.519 -0.303 0.000 1.213 124 W CA 0.617 57.736 57.345 -0.378 0.000 1.251 124 W CB -1.060 28.344 29.460 -0.093 0.000 1.136 124 W HN 0.509 nan 8.180 nan 0.000 0.526 125 W N 1.595 122.422 121.300 -0.789 0.000 2.468 125 W HA 0.100 4.756 4.660 -0.007 0.000 0.262 125 W C 2.047 178.428 176.519 -0.230 0.000 1.241 125 W CA 1.249 58.210 57.345 -0.640 0.000 1.232 125 W CB -1.138 27.736 29.460 -0.976 0.000 1.124 125 W HN -0.196 nan 8.180 nan 0.000 0.597 126 R N 0.184 120.262 120.500 -0.703 0.000 2.098 126 R HA 0.065 4.400 4.340 -0.008 0.000 0.203 126 R C 2.234 178.391 176.300 -0.238 0.000 1.166 126 R CA 0.820 56.692 56.100 -0.380 0.000 1.090 126 R CB -0.627 29.399 30.300 -0.456 0.000 0.992 126 R HN 0.075 nan 8.270 nan 0.000 0.477 127 V N 2.381 122.118 119.914 -0.294 0.000 2.287 127 V HA -0.270 3.845 4.120 -0.008 0.000 0.248 127 V C 2.416 178.462 176.094 -0.080 0.000 1.053 127 V CA 1.762 63.958 62.300 -0.172 0.000 1.027 127 V CB -0.553 31.161 31.823 -0.182 0.000 0.646 127 V HN 0.271 nan 8.190 nan 0.000 0.447 128 L N 0.510 121.712 121.223 -0.035 0.000 1.963 128 L HA -0.172 4.164 4.340 -0.008 0.000 0.220 128 L C 0.454 177.340 176.870 0.027 0.000 1.076 128 L CA 2.462 57.305 54.840 0.005 0.000 0.772 128 L CB -2.146 39.952 42.059 0.065 0.000 0.892 128 L HN 0.377 nan 8.230 nan 0.000 0.435 129 P HA -0.094 nan 4.420 nan 0.000 0.219 129 P C 1.836 179.284 177.300 0.247 0.000 1.150 129 P CA 1.277 64.499 63.100 0.203 0.000 0.814 129 P CB 0.112 31.917 31.700 0.175 0.000 0.787 130 V N 0.791 120.746 119.914 0.069 0.000 2.283 130 V HA -0.156 3.960 4.120 -0.008 0.000 0.243 130 V C 2.783 178.896 176.094 0.031 0.000 1.039 130 V CA 1.996 64.306 62.300 0.016 0.000 1.016 130 V CB -1.111 30.670 31.823 -0.070 0.000 0.650 130 V HN 0.061 nan 8.190 nan 0.000 0.449 131 K N -0.016 120.379 120.400 -0.008 0.000 2.097 131 K HA -0.141 4.175 4.320 -0.008 0.000 0.206 131 K C 1.835 178.414 176.600 -0.035 0.000 1.049 131 K CA 1.529 57.784 56.287 -0.053 0.000 0.933 131 K CB -0.532 31.906 32.500 -0.103 0.000 0.717 131 K HN 0.395 nan 8.250 nan 0.000 0.442 132 F N -0.463 119.398 119.950 -0.148 0.000 2.022 132 F HA -0.089 4.434 4.527 -0.007 0.000 0.293 132 F C 1.590 177.392 175.800 0.003 0.000 1.142 132 F CA 1.566 59.458 58.000 -0.181 0.000 1.177 132 F CB -0.392 38.395 39.000 -0.355 0.000 0.982 132 F HN -0.034 nan 8.300 nan 0.000 0.473 133 F N 0.970 121.132 119.950 0.353 0.000 2.216 133 F HA -0.017 4.505 4.527 -0.008 0.000 0.300 133 F C 2.615 178.575 175.800 0.266 0.000 1.085 133 F CA 1.272 59.454 58.000 0.304 0.000 1.326 133 F CB -1.504 37.730 39.000 0.390 0.000 1.027 133 F HN 0.123 nan 8.300 nan 0.000 0.497 134 G N -0.271 108.699 108.800 0.283 0.000 2.421 134 G HA2 -0.157 3.798 3.960 -0.008 0.000 0.216 134 G HA3 -0.157 3.798 3.960 -0.008 0.000 0.216 134 G C 2.082 177.076 174.900 0.156 0.000 1.171 134 G CA 0.813 45.996 45.100 0.139 0.000 0.775 134 G HN 0.494 nan 8.290 nan 0.000 0.543 135 G N 0.540 109.432 108.800 0.154 0.000 2.408 135 G HA2 -0.099 3.856 3.960 -0.008 0.000 0.217 135 G HA3 -0.099 3.856 3.960 -0.008 0.000 0.217 135 G C 1.721 176.771 174.900 0.249 0.000 1.150 135 G CA 0.785 46.030 45.100 0.241 0.000 0.776 135 G HN 0.317 nan 8.290 nan 0.000 0.542 136 L N 1.602 122.947 121.223 0.204 0.000 2.043 136 L HA 0.001 4.337 4.340 -0.008 0.000 0.212 136 L C 2.883 179.784 176.870 0.052 0.000 1.075 136 L CA 2.009 56.812 54.840 -0.062 0.000 0.752 136 L CB -0.964 41.057 42.059 -0.064 0.000 0.891 136 L HN 0.224 nan 8.230 nan 0.000 0.432 137 G N -2.111 106.812 108.800 0.205 0.000 2.434 137 G HA2 -0.270 3.685 3.960 -0.008 0.000 0.214 137 G HA3 -0.270 3.685 3.960 -0.008 0.000 0.214 137 G C 1.532 176.525 174.900 0.156 0.000 1.202 137 G CA 1.346 46.588 45.100 0.238 0.000 0.788 137 G HN 0.476 nan 8.290 nan 0.000 0.539 138 T N -0.373 114.268 114.554 0.144 0.000 2.777 138 T HA 0.042 4.388 4.350 -0.008 0.000 0.266 138 T C 2.293 177.039 174.700 0.076 0.000 1.040 138 T CA 0.867 63.036 62.100 0.114 0.000 1.141 138 T CB -0.214 68.694 68.868 0.067 0.000 0.868 138 T HN -0.006 nan 8.240 nan 0.000 0.444 139 L N 1.552 122.807 121.223 0.053 0.000 2.044 139 L HA 0.191 4.527 4.340 -0.008 0.000 0.205 139 L C 3.080 179.925 176.870 -0.042 0.000 1.075 139 L CA 2.111 56.950 54.840 -0.001 0.000 0.747 139 L CB -1.847 40.182 42.059 -0.049 0.000 0.903 139 L HN 0.533 nan 8.230 nan 0.000 0.435 140 G N -0.867 107.897 108.800 -0.061 0.000 2.509 140 G HA2 -0.136 3.819 3.960 -0.008 0.000 0.218 140 G HA3 -0.136 3.819 3.960 -0.008 0.000 0.218 140 G C 1.424 176.315 174.900 -0.014 0.000 1.124 140 G CA 0.688 45.759 45.100 -0.049 0.000 0.776 140 G HN 0.512 nan 8.290 nan 0.000 0.547 141 G N -0.800 108.007 108.800 0.012 0.000 2.985 141 G HA2 0.379 4.334 3.960 -0.008 0.000 0.209 141 G HA3 0.379 4.334 3.960 -0.008 0.000 0.209 141 G C 1.170 176.073 174.900 0.006 0.000 1.165 141 G CA 0.428 45.536 45.100 0.012 0.000 0.776 141 G HN 1.313 nan 8.290 nan 0.000 0.541 142 G N -0.370 108.436 108.800 0.010 0.000 2.141 142 G HA2 -0.259 3.696 3.960 -0.008 0.000 0.231 142 G HA3 -0.259 3.696 3.960 -0.008 0.000 0.231 142 G C 0.465 175.382 174.900 0.029 0.000 0.984 142 G CA 0.125 45.235 45.100 0.017 0.000 0.660 142 G HN 0.378 nan 8.290 nan 0.000 0.525 143 M N 0.334 119.958 119.600 0.041 0.000 2.245 143 M HA 0.294 4.769 4.480 -0.008 0.000 0.330 143 M C 1.164 177.500 176.300 0.060 0.000 1.098 143 M CA -0.011 55.327 55.300 0.064 0.000 1.172 143 M CB 1.051 33.710 32.600 0.098 0.000 1.467 143 M HN -0.094 nan 8.290 nan 0.000 0.454 144 V N 4.873 124.832 119.914 0.074 0.000 1.956 144 V HA 0.144 4.259 4.120 -0.008 0.000 0.248 144 V C -0.059 176.092 176.094 0.094 0.000 1.615 144 V CA 0.399 62.739 62.300 0.067 0.000 1.558 144 V CB -1.689 30.178 31.823 0.073 0.000 1.529 144 V HN 0.528 nan 8.190 nan 0.000 0.505 145 L N 1.433 122.702 121.223 0.077 0.000 2.409 145 L HA 0.795 5.130 4.340 -0.008 0.000 0.262 145 L C 0.676 177.576 176.870 0.050 0.000 0.992 145 L CA -0.579 54.325 54.840 0.106 0.000 0.817 145 L CB 2.075 44.219 42.059 0.142 0.000 1.350 145 L HN 0.438 nan 8.230 nan 0.000 0.411 146 G N 0.302 109.140 108.800 0.063 0.000 2.522 146 G HA2 0.433 4.388 3.960 -0.008 0.000 0.304 146 G HA3 0.433 4.388 3.960 -0.008 0.000 0.304 146 G C 0.339 175.266 174.900 0.044 0.000 1.210 146 G CA -0.443 44.668 45.100 0.017 0.000 0.960 146 G HN 0.709 nan 8.290 nan 0.000 0.497 147 R N -0.694 119.798 120.500 -0.013 0.000 2.173 147 R HA 0.036 4.371 4.340 -0.008 0.000 0.208 147 R C 2.300 178.518 176.300 -0.138 0.000 1.035 147 R CA 0.837 56.963 56.100 0.043 0.000 1.004 147 R CB 0.065 30.399 30.300 0.057 0.000 0.917 147 R HN 0.600 nan 8.270 nan 0.000 0.462 148 E N 0.640 120.699 120.200 -0.234 0.000 2.068 148 E HA -0.214 4.131 4.350 -0.008 0.000 0.207 148 E C 1.983 178.479 176.600 -0.173 0.000 1.032 148 E CA 1.672 57.893 56.400 -0.299 0.000 0.839 148 E CB -1.009 28.514 29.700 -0.295 0.000 0.758 148 E HN 0.395 nan 8.360 nan 0.000 0.457 149 G N 1.608 110.381 108.800 -0.046 0.000 2.672 149 G HA2 -0.262 3.694 3.960 -0.008 0.000 0.218 149 G HA3 -0.262 3.694 3.960 -0.008 0.000 0.218 149 G C -0.744 174.089 174.900 -0.112 0.000 1.238 149 G CA 1.435 46.532 45.100 -0.004 0.000 0.791 149 G HN 0.300 nan 8.290 nan 0.000 0.606 150 P HA -0.119 nan 4.420 nan 0.000 0.215 150 P C 2.412 179.469 177.300 -0.404 0.000 1.157 150 P CA 2.733 65.603 63.100 -0.383 0.000 0.874 150 P CB -0.389 30.872 31.700 -0.731 0.000 0.790 151 T N -3.381 110.945 114.554 -0.381 0.000 2.777 151 T HA -0.086 4.259 4.350 -0.008 0.000 0.266 151 T C 1.838 176.419 174.700 -0.198 0.000 1.040 151 T CA 1.218 63.146 62.100 -0.287 0.000 1.141 151 T CB -1.528 67.195 68.868 -0.240 0.000 0.868 151 T HN -0.134 nan 8.240 nan 0.000 0.444 152 V N 1.964 121.771 119.914 -0.178 0.000 2.343 152 V HA -0.199 3.916 4.120 -0.008 0.000 0.247 152 V C 2.907 178.937 176.094 -0.108 0.000 1.051 152 V CA 2.164 64.393 62.300 -0.119 0.000 1.036 152 V CB -0.946 30.831 31.823 -0.077 0.000 0.654 152 V HN 0.552 nan 8.190 nan 0.000 0.451 153 Q N -0.340 119.387 119.800 -0.121 0.000 2.083 153 Q HA -0.106 4.229 4.340 -0.008 0.000 0.198 153 Q C 2.252 178.188 176.000 -0.108 0.000 0.969 153 Q CA 1.568 57.307 55.803 -0.107 0.000 0.838 153 Q CB -0.076 28.598 28.738 -0.105 0.000 0.900 153 Q HN 0.616 nan 8.270 nan 0.000 0.436 154 I N 0.347 120.835 120.570 -0.137 0.000 2.286 154 I HA -0.189 3.976 4.170 -0.008 0.000 0.248 154 I C 2.258 178.315 176.117 -0.101 0.000 1.115 154 I CA 1.030 62.259 61.300 -0.118 0.000 1.392 154 I CB -0.719 37.195 38.000 -0.144 0.000 1.065 154 I HN 0.392 nan 8.210 nan 0.000 0.418 155 G N 0.942 109.676 108.800 -0.109 0.000 2.480 155 G HA2 -0.230 3.725 3.960 -0.008 0.000 0.216 155 G HA3 -0.230 3.725 3.960 -0.008 0.000 0.216 155 G C 1.710 176.564 174.900 -0.078 0.000 1.200 155 G CA 0.940 45.984 45.100 -0.093 0.000 0.782 155 G HN 0.475 nan 8.290 nan 0.000 0.554 156 G N 1.034 109.792 108.800 -0.070 0.000 2.476 156 G HA2 -0.289 3.666 3.960 -0.008 0.000 0.218 156 G HA3 -0.289 3.666 3.960 -0.008 0.000 0.218 156 G C 1.747 176.624 174.900 -0.039 0.000 1.164 156 G CA 1.319 46.388 45.100 -0.052 0.000 0.768 156 G HN 0.479 nan 8.290 nan 0.000 0.560 157 N N 0.346 119.026 118.700 -0.035 0.000 2.223 157 N HA -0.057 4.679 4.740 -0.008 0.000 0.185 157 N C 2.038 177.511 175.510 -0.061 0.000 1.016 157 N CA 0.656 53.712 53.050 0.009 0.000 0.863 157 N CB -0.086 38.421 38.487 0.033 0.000 0.983 157 N HN 0.203 nan 8.380 nan 0.000 0.429 158 I N 0.180 120.692 120.570 -0.096 0.000 2.315 158 I HA -0.096 4.069 4.170 -0.008 0.000 0.248 158 I C 2.300 178.318 176.117 -0.164 0.000 1.117 158 I CA 1.129 62.338 61.300 -0.152 0.000 1.404 158 I CB -1.569 36.358 38.000 -0.122 0.000 1.071 158 I HN 0.169 nan 8.210 nan 0.000 0.419 159 G N 0.586 109.323 108.800 -0.105 0.000 2.422 159 G HA2 -0.299 3.656 3.960 -0.008 0.000 0.218 159 G HA3 -0.299 3.656 3.960 -0.008 0.000 0.218 159 G C 1.868 176.721 174.900 -0.077 0.000 1.146 159 G CA 0.832 45.886 45.100 -0.077 0.000 0.769 159 G HN 0.240 nan 8.290 nan 0.000 0.547 160 R N 0.158 120.614 120.500 -0.073 0.000 2.075 160 R HA 0.123 4.458 4.340 -0.008 0.000 0.232 160 R C 2.470 178.634 176.300 -0.226 0.000 1.126 160 R CA 1.660 57.743 56.100 -0.027 0.000 0.963 160 R CB -0.676 29.700 30.300 0.126 0.000 0.858 160 R HN 0.364 nan 8.270 nan 0.000 0.435 161 M N 0.355 119.577 119.600 -0.630 0.000 2.106 161 M HA -0.176 4.299 4.480 -0.008 0.000 0.259 161 M C 1.836 177.750 176.300 -0.642 0.000 1.068 161 M CA 2.431 56.951 55.300 -1.300 0.000 1.100 161 M CB -0.112 31.631 32.600 -1.428 0.000 1.351 161 M HN 0.180 nan 8.290 nan 0.000 0.404 162 V N -1.193 118.533 119.914 -0.314 0.000 2.453 162 V HA -0.191 3.924 4.120 -0.008 0.000 0.247 162 V C 2.220 178.364 176.094 0.083 0.000 1.048 162 V CA 1.453 63.727 62.300 -0.043 0.000 1.049 162 V CB -1.312 30.580 31.823 0.116 0.000 0.672 162 V HN 0.556 nan 8.190 nan 0.000 0.457 163 L N 1.440 122.676 121.223 0.022 0.000 2.012 163 L HA -0.160 4.175 4.340 -0.008 0.000 0.210 163 L C 2.204 179.111 176.870 0.062 0.000 1.073 163 L CA 2.599 57.483 54.840 0.073 0.000 0.748 163 L CB -0.894 41.198 42.059 0.055 0.000 0.891 163 L HN 0.316 nan 8.230 nan 0.000 0.431 164 D N -0.612 119.799 120.400 0.019 0.000 2.144 164 D HA -0.126 4.509 4.640 -0.008 0.000 0.200 164 D C 2.327 178.602 176.300 -0.041 0.000 0.978 164 D CA 1.480 55.519 54.000 0.065 0.000 0.833 164 D CB -0.110 40.845 40.800 0.259 0.000 0.961 164 D HN 0.409 nan 8.370 nan 0.000 0.470 165 I N -0.462 119.973 120.570 -0.226 0.000 2.493 165 I HA -0.187 3.978 4.170 -0.008 0.000 0.254 165 I C 0.868 176.629 176.117 -0.592 0.000 1.160 165 I CA 0.772 61.795 61.300 -0.462 0.000 1.445 165 I CB 0.028 37.577 38.000 -0.751 0.000 1.086 165 I HN -0.094 nan 8.210 nan 0.000 0.433 166 F N 0.346 120.290 119.950 -0.010 0.000 2.654 166 F HA 0.294 4.816 4.527 -0.008 0.000 0.303 166 F C 0.673 176.481 175.800 0.013 0.000 1.099 166 F CA -0.578 57.425 58.000 0.006 0.000 1.270 166 F CB 0.032 39.038 39.000 0.011 0.000 1.024 166 F HN -0.168 nan 8.300 nan 0.000 0.548 167 R N 0.905 121.467 120.500 0.103 0.000 3.387 167 R HA -0.205 4.130 4.340 -0.008 0.000 0.254 167 R C -0.506 175.851 176.300 0.095 0.000 1.006 167 R CA 0.273 56.422 56.100 0.082 0.000 0.677 167 R CB -2.598 27.737 30.300 0.059 0.000 1.063 167 R HN 0.386 nan 8.270 nan 0.000 0.453 168 L N 1.181 122.475 121.223 0.119 0.000 2.485 168 L HA 0.107 4.442 4.340 -0.008 0.000 0.279 168 L C 1.254 178.158 176.870 0.057 0.000 1.124 168 L CA 0.423 55.318 54.840 0.091 0.000 0.888 168 L CB 0.255 42.372 42.059 0.096 0.000 1.217 168 L HN 0.047 nan 8.230 nan 0.000 0.464 169 K N 3.240 123.665 120.400 0.042 0.000 2.098 169 K HA 0.651 4.967 4.320 -0.008 0.000 0.261 169 K C 0.017 176.622 176.600 0.009 0.000 0.987 169 K CA 0.026 56.328 56.287 0.025 0.000 0.916 169 K CB 1.399 33.913 32.500 0.023 0.000 1.039 169 K HN 0.648 nan 8.250 nan 0.000 0.455 170 G N 3.370 112.166 108.800 -0.008 0.000 3.444 170 G HA2 -0.128 3.828 3.960 -0.008 0.000 0.685 170 G HA3 -0.128 3.828 3.960 -0.008 0.000 0.685 170 G C -0.051 174.809 174.900 -0.066 0.000 1.145 170 G CA -0.335 44.750 45.100 -0.026 0.000 0.973 170 G HN 0.795 nan 8.290 nan 0.000 0.525 171 D N 0.444 120.774 120.400 -0.118 0.000 2.973 171 D HA -0.253 4.383 4.640 -0.008 0.000 0.203 171 D C 1.954 178.098 176.300 -0.260 0.000 1.096 171 D CA 2.138 55.973 54.000 -0.274 0.000 0.876 171 D CB -0.104 40.554 40.800 -0.236 0.000 0.979 171 D HN 0.848 nan 8.370 nan 0.000 0.495 172 E N 0.055 120.194 120.200 -0.102 0.000 2.086 172 E HA -0.285 4.060 4.350 -0.008 0.000 0.205 172 E C 2.011 178.607 176.600 -0.006 0.000 1.027 172 E CA 1.725 58.111 56.400 -0.024 0.000 0.830 172 E CB -0.183 29.522 29.700 0.009 0.000 0.751 172 E HN 0.304 nan 8.360 nan 0.000 0.456 173 A N 1.090 123.903 122.820 -0.011 0.000 1.883 173 A HA -0.230 4.085 4.320 -0.008 0.000 0.217 173 A C 2.206 179.802 177.584 0.019 0.000 1.186 173 A CA 1.785 53.828 52.037 0.010 0.000 0.624 173 A CB -0.634 18.376 19.000 0.017 0.000 0.822 173 A HN 0.270 nan 8.150 nan 0.000 0.444 174 R N -1.214 119.281 120.500 -0.008 0.000 2.073 174 R HA -0.165 4.170 4.340 -0.008 0.000 0.234 174 R C 2.072 178.448 176.300 0.126 0.000 1.134 174 R CA 1.901 58.020 56.100 0.032 0.000 0.952 174 R CB -0.430 29.863 30.300 -0.012 0.000 0.850 174 R HN 0.807 nan 8.270 nan 0.000 0.433 175 H N -1.585 117.487 119.070 0.004 0.000 2.395 175 H HA -0.013 4.539 4.556 -0.008 0.000 0.299 175 H C 1.879 177.193 175.328 -0.023 0.000 1.070 175 H CA 1.301 57.341 56.048 -0.013 0.000 1.356 175 H CB 0.296 30.045 29.762 -0.022 0.000 1.401 175 H HN 0.222 nan 8.280 nan 0.000 0.524 176 T N 1.104 115.728 114.554 0.115 0.000 2.732 176 T HA -0.073 4.273 4.350 -0.008 0.000 0.261 176 T C 2.155 176.872 174.700 0.029 0.000 1.040 176 T CA 0.683 62.815 62.100 0.053 0.000 1.145 176 T CB -0.185 68.706 68.868 0.039 0.000 0.866 176 T HN 0.188 nan 8.240 nan 0.000 0.427 177 L N 0.581 121.821 121.223 0.028 0.000 2.131 177 L HA -0.042 4.293 4.340 -0.008 0.000 0.210 177 L C 2.420 179.289 176.870 -0.001 0.000 1.092 177 L CA 0.810 55.654 54.840 0.006 0.000 0.759 177 L CB -0.522 41.542 42.059 0.008 0.000 0.903 177 L HN 0.251 nan 8.230 nan 0.000 0.435 178 L N 0.164 121.398 121.223 0.018 0.000 2.072 178 L HA -0.033 4.302 4.340 -0.008 0.000 0.205 178 L C 2.604 179.461 176.870 -0.023 0.000 1.079 178 L CA 1.828 56.670 54.840 0.004 0.000 0.752 178 L CB -0.544 41.533 42.059 0.031 0.000 0.906 178 L HN 0.089 nan 8.230 nan 0.000 0.436 179 A N -1.229 121.578 122.820 -0.020 0.000 1.969 179 A HA -0.158 4.158 4.320 -0.008 0.000 0.218 179 A C 2.325 179.889 177.584 -0.034 0.000 1.169 179 A CA 1.955 53.967 52.037 -0.043 0.000 0.635 179 A CB -1.179 17.794 19.000 -0.045 0.000 0.810 179 A HN 0.610 nan 8.150 nan 0.000 0.445 180 T N -2.966 111.574 114.554 -0.024 0.000 2.770 180 T HA 0.060 4.406 4.350 -0.008 0.000 0.263 180 T C 1.984 176.659 174.700 -0.041 0.000 1.039 180 T CA 1.479 63.563 62.100 -0.027 0.000 1.142 180 T CB -1.004 67.852 68.868 -0.021 0.000 0.868 180 T HN 0.371 nan 8.240 nan 0.000 0.435 181 G N 1.332 110.105 108.800 -0.046 0.000 2.469 181 G HA2 -0.005 3.950 3.960 -0.008 0.000 0.220 181 G HA3 -0.005 3.950 3.960 -0.008 0.000 0.220 181 G C 1.865 176.729 174.900 -0.060 0.000 1.136 181 G CA 0.974 46.039 45.100 -0.059 0.000 0.759 181 G HN 0.775 nan 8.290 nan 0.000 0.562 182 A N 0.999 123.788 122.820 -0.051 0.000 1.897 182 A HA 0.395 4.710 4.320 -0.008 0.000 0.215 182 A C 2.815 180.389 177.584 -0.016 0.000 1.181 182 A CA 2.028 54.040 52.037 -0.042 0.000 0.620 182 A CB -0.741 18.229 19.000 -0.049 0.000 0.821 182 A HN 0.733 nan 8.150 nan 0.000 0.443 183 A N -0.058 122.754 122.820 -0.014 0.000 1.898 183 A HA 0.193 4.508 4.320 -0.008 0.000 0.216 183 A C 2.483 180.036 177.584 -0.052 0.000 1.181 183 A CA 1.983 54.016 52.037 -0.006 0.000 0.620 183 A CB -0.986 18.000 19.000 -0.024 0.000 0.819 183 A HN 1.028 nan 8.150 nan 0.000 0.442 184 A N -0.463 122.319 122.820 -0.063 0.000 1.933 184 A HA 0.132 4.448 4.320 -0.008 0.000 0.218 184 A C 2.366 179.895 177.584 -0.092 0.000 1.175 184 A CA 1.855 53.847 52.037 -0.075 0.000 0.628 184 A CB -1.294 17.667 19.000 -0.066 0.000 0.814 184 A HN 0.706 nan 8.150 nan 0.000 0.444 185 G N -0.331 108.412 108.800 -0.095 0.000 2.418 185 G HA2 -0.127 3.828 3.960 -0.008 0.000 0.217 185 G HA3 -0.127 3.828 3.960 -0.008 0.000 0.217 185 G C 1.490 176.285 174.900 -0.175 0.000 1.158 185 G CA 1.193 46.217 45.100 -0.127 0.000 0.771 185 G HN 0.445 nan 8.290 nan 0.000 0.545 186 L N 1.108 122.235 121.223 -0.159 0.000 2.044 186 L HA 0.261 4.596 4.340 -0.008 0.000 0.205 186 L C 3.144 179.903 176.870 -0.184 0.000 1.075 186 L CA 1.926 56.632 54.840 -0.224 0.000 0.747 186 L CB -0.656 41.278 42.059 -0.208 0.000 0.903 186 L HN 0.231 nan 8.230 nan 0.000 0.435 187 A N -0.253 122.485 122.820 -0.137 0.000 1.873 187 A HA -0.230 4.085 4.320 -0.008 0.000 0.218 187 A C 2.368 179.818 177.584 -0.222 0.000 1.193 187 A CA 2.118 54.072 52.037 -0.138 0.000 0.629 187 A CB -1.329 17.599 19.000 -0.120 0.000 0.826 187 A HN 0.541 nan 8.150 nan 0.000 0.447 188 A N -0.958 121.738 122.820 -0.206 0.000 2.172 188 A HA 0.326 4.641 4.320 -0.008 0.000 0.216 188 A C 2.224 179.620 177.584 -0.314 0.000 1.154 188 A CA 1.638 53.538 52.037 -0.228 0.000 0.701 188 A CB -0.627 18.335 19.000 -0.063 0.000 0.789 188 A HN 0.981 nan 8.150 nan 0.000 0.465 189 A N -1.384 121.210 122.820 -0.376 0.000 1.935 189 A HA 0.310 4.625 4.320 -0.008 0.000 0.214 189 A C 1.451 178.667 177.584 -0.614 0.000 1.178 189 A CA 0.918 52.640 52.037 -0.525 0.000 0.640 189 A CB -0.266 18.249 19.000 -0.808 0.000 0.825 189 A HN 0.494 nan 8.150 nan 0.000 0.447 190 F N -1.473 118.357 119.950 -0.199 0.000 2.706 190 F HA 0.236 4.758 4.527 -0.008 0.000 0.313 190 F C 0.780 176.379 175.800 -0.334 0.000 1.096 190 F CA 0.068 57.957 58.000 -0.184 0.000 1.219 190 F CB 0.232 39.173 39.000 -0.099 0.000 1.051 190 F HN 0.274 nan 8.300 nan 0.000 0.568 191 N N 1.796 120.220 118.700 -0.459 0.000 2.740 191 N HA -0.231 4.504 4.740 -0.008 0.000 0.248 191 N C -0.743 174.659 175.510 -0.179 0.000 1.062 191 N CA 0.693 53.419 53.050 -0.540 0.000 0.704 191 N CB -0.909 37.293 38.487 -0.476 0.000 0.968 191 N HN 0.330 nan 8.380 nan 0.000 0.547 192 A N 0.315 123.067 122.820 -0.113 0.000 2.709 192 A HA 0.517 4.833 4.320 -0.008 0.000 0.332 192 A C -1.036 176.499 177.584 -0.082 0.000 1.241 192 A CA -0.762 51.239 52.037 -0.061 0.000 0.782 192 A CB 1.134 20.124 19.000 -0.016 0.000 1.109 192 A HN 0.235 nan 8.150 nan 0.000 0.472 193 P HA -0.203 nan 4.420 nan 0.000 0.215 193 P C 1.487 178.681 177.300 -0.177 0.000 1.153 193 P CA 1.041 64.058 63.100 -0.139 0.000 0.853 193 P CB 0.179 31.802 31.700 -0.128 0.000 0.788 194 L N -0.509 120.630 121.223 -0.139 0.000 2.046 194 L HA -0.116 4.219 4.340 -0.008 0.000 0.208 194 L C 2.901 179.722 176.870 -0.081 0.000 1.077 194 L CA 1.618 56.381 54.840 -0.128 0.000 0.747 194 L CB -1.343 40.674 42.059 -0.069 0.000 0.896 194 L HN -0.050 nan 8.230 nan 0.000 0.432 195 A N 0.501 123.287 122.820 -0.056 0.000 1.933 195 A HA -0.114 4.201 4.320 -0.008 0.000 0.218 195 A C 2.405 179.984 177.584 -0.008 0.000 1.175 195 A CA 1.673 53.695 52.037 -0.026 0.000 0.628 195 A CB -1.156 17.817 19.000 -0.045 0.000 0.814 195 A HN 0.448 nan 8.150 nan 0.000 0.444 196 G N -0.012 108.761 108.800 -0.046 0.000 2.422 196 G HA2 -0.154 3.802 3.960 -0.008 0.000 0.218 196 G HA3 -0.154 3.802 3.960 -0.008 0.000 0.218 196 G C 1.495 176.397 174.900 0.003 0.000 1.146 196 G CA 1.144 46.229 45.100 -0.025 0.000 0.769 196 G HN 0.502 nan 8.290 nan 0.000 0.547 197 I N 0.251 120.775 120.570 -0.077 0.000 2.277 197 I HA -0.028 4.137 4.170 -0.008 0.000 0.243 197 I C 2.415 178.539 176.117 0.011 0.000 1.094 197 I CA 0.285 61.536 61.300 -0.082 0.000 1.393 197 I CB -0.159 37.695 38.000 -0.243 0.000 1.078 197 I HN 0.022 nan 8.210 nan 0.000 0.417 198 L N -0.027 121.215 121.223 0.032 0.000 2.191 198 L HA -0.208 4.128 4.340 -0.008 0.000 0.212 198 L C 2.479 179.438 176.870 0.148 0.000 1.103 198 L CA 1.839 56.722 54.840 0.073 0.000 0.769 198 L CB -1.161 40.937 42.059 0.065 0.000 0.908 198 L HN 0.240 nan 8.230 nan 0.000 0.438 199 F N 0.575 120.514 119.950 -0.018 0.000 2.113 199 F HA -0.202 4.321 4.527 -0.007 0.000 0.297 199 F C 2.323 178.109 175.800 -0.023 0.000 1.103 199 F CA 1.046 59.045 58.000 -0.000 0.000 1.248 199 F CB -0.191 38.798 39.000 -0.019 0.000 0.999 199 F HN -0.048 nan 8.300 nan 0.000 0.475 200 I N 1.115 121.692 120.570 0.011 0.000 2.142 200 I HA -0.239 3.926 4.170 -0.008 0.000 0.240 200 I C 2.306 178.352 176.117 -0.118 0.000 1.078 200 I CA 1.456 62.684 61.300 -0.119 0.000 1.343 200 I CB -1.006 36.960 38.000 -0.056 0.000 1.046 200 I HN 0.297 nan 8.210 nan 0.000 0.405 201 I N -2.034 118.505 120.570 -0.050 0.000 3.686 201 I HA 0.059 4.225 4.170 -0.008 0.000 0.308 201 I C 1.454 177.540 176.117 -0.052 0.000 1.254 201 I CA 0.891 62.160 61.300 -0.051 0.000 1.175 201 I CB -0.343 37.650 38.000 -0.011 0.000 1.009 201 I HN 0.374 nan 8.210 nan 0.000 0.459 202 E N 0.693 120.856 120.200 -0.062 0.000 2.576 202 E HA -0.051 4.294 4.350 -0.008 0.000 0.214 202 E C 1.282 177.830 176.600 -0.088 0.000 0.859 202 E CA 0.288 56.660 56.400 -0.048 0.000 1.399 202 E CB 0.538 30.249 29.700 0.018 0.000 1.374 202 E HN 0.483 nan 8.360 nan 0.000 0.718 203 E N -0.364 119.732 120.200 -0.174 0.000 3.203 203 E HA 0.123 4.468 4.350 -0.008 0.000 0.200 203 E C 1.815 178.208 176.600 -0.345 0.000 1.089 203 E CA 0.507 56.761 56.400 -0.243 0.000 1.430 203 E CB -0.128 29.405 29.700 -0.279 0.000 1.328 203 E HN 0.015 nan 8.360 nan 0.000 0.580 204 M N 1.903 121.181 119.600 -0.537 0.000 2.080 204 M HA -0.044 4.431 4.480 -0.008 0.000 0.260 204 M C 1.015 177.154 176.300 -0.270 0.000 1.068 204 M CA 1.240 56.274 55.300 -0.443 0.000 1.109 204 M CB -1.410 30.914 32.600 -0.460 0.000 1.342 204 M HN 0.099 nan 8.290 nan 0.000 0.405 205 R N 1.487 121.846 120.500 -0.236 0.000 2.758 205 R HA 0.099 4.434 4.340 -0.008 0.000 0.263 205 R C -2.551 173.639 176.300 -0.184 0.000 1.010 205 R CA -1.104 54.876 56.100 -0.200 0.000 1.114 205 R CB -1.376 28.817 30.300 -0.178 0.000 0.985 205 R HN 0.004 nan 8.270 nan 0.000 0.439 206 P HA -0.060 nan 4.420 nan 0.000 0.261 206 P C -0.435 176.774 177.300 -0.151 0.000 1.183 206 P CA 0.273 63.310 63.100 -0.106 0.000 0.761 206 P CB 0.729 32.373 31.700 -0.092 0.000 0.785 207 Q N 2.098 121.754 119.800 -0.240 0.000 2.424 207 Q HA 0.105 4.440 4.340 -0.008 0.000 0.204 207 Q C 0.300 175.795 176.000 -0.843 0.000 0.933 207 Q CA 1.303 56.732 55.803 -0.623 0.000 0.929 207 Q CB -0.113 28.064 28.738 -0.936 0.000 1.037 207 Q HN 0.472 nan 8.270 nan 0.000 0.511 208 F N -1.067 118.878 119.950 -0.009 0.000 2.746 208 F HA 0.325 4.847 4.527 -0.008 0.000 0.320 208 F C 0.292 176.108 175.800 0.026 0.000 1.097 208 F CA -0.546 57.459 58.000 0.009 0.000 1.195 208 F CB 0.492 39.498 39.000 0.010 0.000 1.056 208 F HN -0.150 nan 8.300 nan 0.000 0.562 209 R N -1.736 118.855 120.500 0.153 0.000 2.774 209 R HA 0.416 4.752 4.340 -0.008 0.000 0.272 209 R C -1.184 175.191 176.300 0.125 0.000 1.000 209 R CA -0.936 55.252 56.100 0.147 0.000 0.906 209 R CB 0.896 31.287 30.300 0.151 0.000 1.227 209 R HN -0.055 nan 8.270 nan 0.000 0.468 210 Y N 1.013 121.336 120.300 0.040 0.000 2.546 210 Y HA 0.198 4.743 4.550 -0.008 0.000 0.351 210 Y C -0.584 175.343 175.900 0.044 0.000 1.266 210 Y CA 1.310 59.429 58.100 0.031 0.000 1.487 210 Y CB 0.956 39.436 38.460 0.034 0.000 1.365 210 Y HN 0.733 nan 8.280 nan 0.000 0.642 211 T N 4.810 118.971 114.554 -0.654 0.000 2.894 211 T HA 0.319 4.665 4.350 -0.008 0.000 0.309 211 T C -0.966 173.480 174.700 -0.423 0.000 1.208 211 T CA -0.791 61.121 62.100 -0.313 0.000 1.016 211 T CB 1.176 69.909 68.868 -0.225 0.000 1.192 211 T HN 0.400 nan 8.240 nan 0.000 0.491 212 L N 1.949 123.162 121.223 -0.017 0.000 2.934 212 L HA 0.433 4.768 4.340 -0.008 0.000 0.233 212 L C -0.230 176.655 176.870 0.024 0.000 1.358 212 L CA 0.316 55.171 54.840 0.025 0.000 1.233 212 L CB -0.976 41.137 42.059 0.091 0.000 1.594 212 L HN 0.495 nan 8.230 nan 0.000 0.439 213 I N -0.499 120.042 120.570 -0.048 0.000 2.315 213 I HA 0.162 4.327 4.170 -0.008 0.000 0.291 213 I C 0.717 176.824 176.117 -0.016 0.000 1.006 213 I CA -0.183 61.107 61.300 -0.018 0.000 1.265 213 I CB 1.417 39.383 38.000 -0.056 0.000 1.387 213 I HN 0.153 nan 8.210 nan 0.000 0.475 214 S N 6.420 122.129 115.700 0.014 0.000 2.422 214 S HA 0.317 4.782 4.470 -0.008 0.000 0.283 214 S C 1.315 175.938 174.600 0.040 0.000 1.163 214 S CA -0.543 57.671 58.200 0.024 0.000 1.054 214 S CB 0.237 63.454 63.200 0.029 0.000 0.967 214 S HN 0.522 nan 8.310 nan 0.000 0.499 215 I N 4.805 125.402 120.570 0.045 0.000 2.163 215 I HA -0.201 3.965 4.170 -0.008 0.000 0.243 215 I C 2.590 178.798 176.117 0.153 0.000 1.085 215 I CA 1.276 62.636 61.300 0.100 0.000 1.347 215 I CB -0.244 37.809 38.000 0.089 0.000 1.044 215 I HN 0.663 nan 8.210 nan 0.000 0.408 216 K N 1.186 121.620 120.400 0.056 0.000 2.152 216 K HA -0.200 4.115 4.320 -0.008 0.000 0.206 216 K C 2.105 178.763 176.600 0.096 0.000 1.048 216 K CA 1.454 57.755 56.287 0.023 0.000 0.933 216 K CB -0.031 32.448 32.500 -0.036 0.000 0.721 216 K HN 0.339 nan 8.250 nan 0.000 0.447 217 A N 0.374 123.241 122.820 0.078 0.000 1.897 217 A HA -0.050 4.266 4.320 -0.008 0.000 0.215 217 A C 2.173 179.803 177.584 0.077 0.000 1.181 217 A CA 1.120 53.195 52.037 0.063 0.000 0.620 217 A CB -0.423 18.599 19.000 0.038 0.000 0.821 217 A HN 0.138 nan 8.150 nan 0.000 0.443 218 V N -1.043 118.927 119.914 0.092 0.000 2.287 218 V HA -0.267 3.849 4.120 -0.008 0.000 0.248 218 V C 2.249 178.392 176.094 0.082 0.000 1.053 218 V CA 2.179 64.517 62.300 0.065 0.000 1.027 218 V CB -1.015 30.843 31.823 0.057 0.000 0.646 218 V HN 0.536 nan 8.190 nan 0.000 0.447 219 F N 0.121 120.064 119.950 -0.012 0.000 2.027 219 F HA -0.272 4.250 4.527 -0.007 0.000 0.297 219 F C 2.256 178.049 175.800 -0.012 0.000 1.129 219 F CA 2.293 60.288 58.000 -0.009 0.000 1.195 219 F CB -0.514 38.482 39.000 -0.006 0.000 0.960 219 F HN 0.031 nan 8.300 nan 0.000 0.485 220 I N -0.486 120.210 120.570 0.209 0.000 2.185 220 I HA -0.349 3.817 4.170 -0.008 0.000 0.246 220 I C 2.677 178.811 176.117 0.029 0.000 1.088 220 I CA 1.631 62.990 61.300 0.099 0.000 1.347 220 I CB -1.317 36.720 38.000 0.061 0.000 1.041 220 I HN 0.289 nan 8.210 nan 0.000 0.415 221 G N 0.370 109.174 108.800 0.007 0.000 2.402 221 G HA2 -0.160 3.796 3.960 -0.008 0.000 0.216 221 G HA3 -0.160 3.796 3.960 -0.008 0.000 0.216 221 G C 1.694 176.570 174.900 -0.041 0.000 1.162 221 G CA 0.876 45.957 45.100 -0.031 0.000 0.777 221 G HN 0.244 nan 8.290 nan 0.000 0.539 222 V N 1.323 121.203 119.914 -0.057 0.000 2.233 222 V HA -0.195 3.920 4.120 -0.008 0.000 0.247 222 V C 2.768 178.823 176.094 -0.064 0.000 1.050 222 V CA 1.730 63.975 62.300 -0.092 0.000 1.010 222 V CB -0.582 31.134 31.823 -0.178 0.000 0.637 222 V HN 0.381 nan 8.190 nan 0.000 0.444 223 I N -0.639 119.904 120.570 -0.045 0.000 2.087 223 I HA -0.367 3.798 4.170 -0.008 0.000 0.240 223 I C 2.666 178.789 176.117 0.009 0.000 1.054 223 I CA 1.820 63.119 61.300 -0.002 0.000 1.311 223 I CB -0.398 37.631 38.000 0.047 0.000 1.024 223 I HN 0.287 nan 8.210 nan 0.000 0.402 224 M N 0.379 119.981 119.600 0.003 0.000 2.108 224 M HA -0.190 4.285 4.480 -0.008 0.000 0.261 224 M C 2.664 178.970 176.300 0.010 0.000 1.066 224 M CA 2.357 57.657 55.300 0.001 0.000 1.107 224 M CB -1.608 30.976 32.600 -0.026 0.000 1.356 224 M HN 0.451 nan 8.290 nan 0.000 0.406 225 S N -1.254 114.444 115.700 -0.004 0.000 2.406 225 S HA -0.073 4.392 4.470 -0.008 0.000 0.228 225 S C 1.896 176.527 174.600 0.052 0.000 1.020 225 S CA 1.528 59.733 58.200 0.008 0.000 0.965 225 S CB -0.788 62.396 63.200 -0.026 0.000 0.798 225 S HN 0.443 nan 8.310 nan 0.000 0.488 226 T N 2.550 117.123 114.554 0.032 0.000 2.788 226 T HA 0.154 4.499 4.350 -0.008 0.000 0.268 226 T C 1.660 176.441 174.700 0.136 0.000 1.044 226 T CA 1.379 63.519 62.100 0.065 0.000 1.139 226 T CB -0.405 68.469 68.868 0.011 0.000 0.867 226 T HN 0.396 nan 8.240 nan 0.000 0.454 227 I N 0.606 121.233 120.570 0.094 0.000 2.286 227 I HA -0.126 4.040 4.170 -0.008 0.000 0.245 227 I C 2.407 178.600 176.117 0.126 0.000 1.104 227 I CA 0.814 62.172 61.300 0.096 0.000 1.397 227 I CB -0.236 37.803 38.000 0.065 0.000 1.072 227 I HN 0.192 nan 8.210 nan 0.000 0.417 228 M N -0.417 119.263 119.600 0.133 0.000 2.149 228 M HA -0.255 4.220 4.480 -0.008 0.000 0.261 228 M C 2.424 178.865 176.300 0.236 0.000 1.064 228 M CA 1.913 57.320 55.300 0.179 0.000 1.102 228 M CB -1.341 31.322 32.600 0.105 0.000 1.369 228 M HN 0.269 nan 8.290 nan 0.000 0.408 229 Y N 1.528 121.873 120.300 0.074 0.000 2.145 229 Y HA -0.186 4.359 4.550 -0.008 0.000 0.286 229 Y C 2.412 178.354 175.900 0.070 0.000 1.145 229 Y CA 1.757 59.892 58.100 0.059 0.000 1.148 229 Y CB -0.144 38.324 38.460 0.015 0.000 0.981 229 Y HN 0.092 nan 8.280 nan 0.000 0.507 230 R N 0.123 120.686 120.500 0.107 0.000 2.120 230 R HA -0.135 4.200 4.340 -0.008 0.000 0.234 230 R C 2.061 178.296 176.300 -0.109 0.000 1.123 230 R CA 1.228 57.325 56.100 -0.005 0.000 0.975 230 R CB -0.869 29.490 30.300 0.098 0.000 0.866 230 R HN 0.414 nan 8.270 nan 0.000 0.446 231 I N -0.007 120.546 120.570 -0.029 0.000 2.454 231 I HA -0.190 3.976 4.170 -0.008 0.000 0.254 231 I C 1.315 177.125 176.117 -0.511 0.000 1.156 231 I CA 1.331 62.539 61.300 -0.154 0.000 1.433 231 I CB -0.575 37.380 38.000 -0.077 0.000 1.082 231 I HN -0.010 nan 8.210 nan 0.000 0.432 232 F N -0.294 119.410 119.950 -0.410 0.000 2.728 232 F HA 0.246 4.768 4.527 -0.008 0.000 0.314 232 F C 0.954 176.313 175.800 -0.736 0.000 1.094 232 F CA -0.081 57.619 58.000 -0.501 0.000 1.217 232 F CB 0.065 38.901 39.000 -0.273 0.000 1.056 232 F HN 0.007 nan 8.300 nan 0.000 0.577 233 N N 0.332 118.611 118.700 -0.701 0.000 2.610 233 N HA 0.061 4.796 4.740 -0.008 0.000 0.307 233 N C -0.843 174.441 175.510 -0.377 0.000 1.813 233 N CA -0.123 52.564 53.050 -0.605 0.000 0.901 233 N CB 0.133 38.074 38.487 -0.909 0.000 1.354 233 N HN 0.235 nan 8.380 nan 0.000 0.491 234 H N 0.093 119.099 119.070 -0.107 0.000 2.707 234 H HA 0.228 4.780 4.556 -0.008 0.000 0.359 234 H C 0.163 175.475 175.328 -0.027 0.000 1.113 234 H CA -0.202 55.813 56.048 -0.054 0.000 1.422 234 H CB 0.154 29.880 29.762 -0.060 0.000 1.443 234 H HN 0.085 nan 8.280 nan 0.000 0.591 235 E N -0.254 120.034 120.200 0.148 0.000 2.240 235 E HA -0.057 4.289 4.350 -0.008 0.000 0.194 235 E C -1.301 175.347 176.600 0.079 0.000 1.385 235 E CA 0.548 57.002 56.400 0.090 0.000 0.686 235 E CB -1.140 28.594 29.700 0.057 0.000 1.125 235 E HN 0.432 nan 8.360 nan 0.000 0.359 236 V N 0.108 120.065 119.914 0.072 0.000 3.678 236 V HA 0.237 4.352 4.120 -0.008 0.000 0.238 236 V C 0.013 176.150 176.094 0.071 0.000 1.328 236 V CA -0.141 62.197 62.300 0.063 0.000 1.037 236 V CB 1.131 32.992 31.823 0.064 0.000 0.979 236 V HN 0.523 nan 8.190 nan 0.000 0.487 237 A N 4.277 127.131 122.820 0.056 0.000 2.448 237 A HA 0.618 4.933 4.320 -0.008 0.000 0.239 237 A C 1.121 178.722 177.584 0.028 0.000 1.080 237 A CA 0.120 52.186 52.037 0.049 0.000 0.779 237 A CB 0.431 19.443 19.000 0.020 0.000 1.026 237 A HN 0.896 nan 8.150 nan 0.000 0.499 238 L N 0.250 121.468 121.223 -0.008 0.000 2.109 238 L HA 0.068 4.403 4.340 -0.008 0.000 0.207 238 L C 0.112 176.876 176.870 -0.177 0.000 1.086 238 L CA 1.136 55.913 54.840 -0.105 0.000 0.760 238 L CB -0.205 41.701 42.059 -0.254 0.000 0.910 238 L HN 0.580 nan 8.230 nan 0.000 0.437 239 I N -0.351 120.130 120.570 -0.149 0.000 2.542 239 I HA 0.153 4.318 4.170 -0.008 0.000 0.278 239 I C -1.107 174.981 176.117 -0.049 0.000 1.069 239 I CA -0.475 60.758 61.300 -0.111 0.000 1.100 239 I CB 1.723 39.627 38.000 -0.160 0.000 1.204 239 I HN -0.147 nan 8.210 nan 0.000 0.470 240 D N 5.664 126.054 120.400 -0.018 0.000 2.359 240 D HA 0.277 4.912 4.640 -0.008 0.000 0.230 240 D C 0.317 176.617 176.300 -0.001 0.000 1.118 240 D CA -0.026 53.971 54.000 -0.005 0.000 0.844 240 D CB 2.081 42.885 40.800 0.006 0.000 1.059 240 D HN 0.218 nan 8.370 nan 0.000 0.493 241 V N 2.898 122.811 119.914 -0.002 0.000 3.528 241 V HA 0.314 4.429 4.120 -0.008 0.000 0.294 241 V C 1.213 177.310 176.094 0.005 0.000 1.404 241 V CA 0.477 62.779 62.300 0.004 0.000 1.065 241 V CB -0.256 31.568 31.823 0.003 0.000 0.904 241 V HN 0.889 nan 8.190 nan 0.000 0.435 242 G N 1.787 110.589 108.800 0.004 0.000 2.752 242 G HA2 -0.261 3.694 3.960 -0.008 0.000 0.234 242 G HA3 -0.261 3.694 3.960 -0.008 0.000 0.234 242 G C -0.317 174.586 174.900 0.005 0.000 1.367 242 G CA 0.092 45.195 45.100 0.006 0.000 0.879 242 G HN 0.501 nan 8.290 nan 0.000 0.563 243 K N 0.528 120.932 120.400 0.007 0.000 2.267 243 K HA 0.591 4.907 4.320 -0.008 0.000 0.282 243 K C 0.886 177.489 176.600 0.006 0.000 1.078 243 K CA -0.670 55.620 56.287 0.005 0.000 0.903 243 K CB 0.248 32.752 32.500 0.007 0.000 1.111 243 K HN 0.479 nan 8.250 nan 0.000 0.475 244 L N 2.188 123.412 121.223 0.001 0.000 2.505 244 L HA 0.279 4.614 4.340 -0.008 0.000 0.226 244 L C 0.968 177.840 176.870 0.004 0.000 1.211 244 L CA -0.151 54.693 54.840 0.006 0.000 0.828 244 L CB 0.683 42.743 42.059 0.000 0.000 1.331 244 L HN 0.963 nan 8.230 nan 0.000 0.513 245 S N -0.894 114.814 115.700 0.014 0.000 2.640 245 S HA 0.185 4.650 4.470 -0.008 0.000 0.262 245 S C -0.306 174.283 174.600 -0.017 0.000 1.232 245 S CA -0.716 57.492 58.200 0.014 0.000 0.988 245 S CB 1.027 64.254 63.200 0.045 0.000 1.034 245 S HN 0.485 nan 8.310 nan 0.000 0.569 246 D N 0.077 120.465 120.400 -0.020 0.000 2.466 246 D HA 0.683 5.318 4.640 -0.008 0.000 0.262 246 D C -0.606 175.654 176.300 -0.067 0.000 1.177 246 D CA -0.106 53.860 54.000 -0.057 0.000 1.035 246 D CB 1.018 41.789 40.800 -0.048 0.000 1.105 246 D HN 0.838 nan 8.370 nan 0.000 0.551 247 A N 0.917 123.666 122.820 -0.118 0.000 2.340 247 A HA 0.594 4.909 4.320 -0.008 0.000 0.297 247 A C -2.480 175.036 177.584 -0.112 0.000 1.195 247 A CA -1.228 50.729 52.037 -0.132 0.000 0.769 247 A CB 0.594 19.413 19.000 -0.301 0.000 1.163 247 A HN 0.295 nan 8.150 nan 0.000 0.472 248 P HA 0.218 nan 4.420 nan 0.000 0.272 248 P C 1.026 178.278 177.300 -0.080 0.000 1.223 248 P CA -0.454 62.606 63.100 -0.067 0.000 0.784 248 P CB 0.641 32.309 31.700 -0.053 0.000 0.923 249 L N 1.241 122.428 121.223 -0.060 0.000 2.042 249 L HA -0.186 4.149 4.340 -0.008 0.000 0.210 249 L C 1.887 178.751 176.870 -0.011 0.000 1.076 249 L CA 1.590 56.406 54.840 -0.041 0.000 0.749 249 L CB -0.837 41.205 42.059 -0.027 0.000 0.893 249 L HN 0.532 nan 8.230 nan 0.000 0.432 250 N N -1.313 117.366 118.700 -0.035 0.000 2.626 250 N HA -0.119 4.616 4.740 -0.008 0.000 0.193 250 N C 1.101 176.544 175.510 -0.112 0.000 1.213 250 N CA 1.018 54.052 53.050 -0.026 0.000 0.914 250 N CB -0.273 38.203 38.487 -0.018 0.000 0.994 250 N HN 0.145 nan 8.380 nan 0.000 0.447 251 T N 0.127 114.597 114.554 -0.140 0.000 3.001 251 T HA 0.315 4.660 4.350 -0.008 0.000 0.251 251 T C 1.697 176.445 174.700 0.080 0.000 1.040 251 T CA -0.357 61.619 62.100 -0.206 0.000 0.985 251 T CB 0.305 69.087 68.868 -0.143 0.000 1.011 251 T HN 0.077 nan 8.240 nan 0.000 0.509 252 L N 1.316 122.623 121.223 0.139 0.000 2.042 252 L HA -0.088 4.247 4.340 -0.008 0.000 0.210 252 L C 2.805 179.827 176.870 0.254 0.000 1.076 252 L CA 1.416 56.360 54.840 0.174 0.000 0.749 252 L CB -0.595 41.500 42.059 0.060 0.000 0.893 252 L HN 0.557 nan 8.230 nan 0.000 0.432 253 W N 0.608 121.957 121.300 0.081 0.000 2.331 253 W HA -0.202 4.454 4.660 -0.007 0.000 0.291 253 W C 1.750 178.348 176.519 0.132 0.000 1.214 253 W CA 0.734 58.128 57.345 0.083 0.000 1.228 253 W CB -1.333 28.153 29.460 0.043 0.000 1.135 253 W HN 0.171 nan 8.180 nan 0.000 0.537 254 L N -0.113 120.678 121.223 -0.720 0.000 2.131 254 L HA -0.241 4.094 4.340 -0.008 0.000 0.210 254 L C 2.584 179.353 176.870 -0.168 0.000 1.092 254 L CA 1.641 56.114 54.840 -0.611 0.000 0.759 254 L CB -1.031 40.688 42.059 -0.567 0.000 0.903 254 L HN -0.116 nan 8.230 nan 0.000 0.435 255 Y N -1.045 119.238 120.300 -0.028 0.000 2.439 255 Y HA -0.173 4.373 4.550 -0.007 0.000 0.292 255 Y C 2.144 177.981 175.900 -0.105 0.000 1.130 255 Y CA 0.450 58.508 58.100 -0.071 0.000 1.254 255 Y CB -0.198 38.184 38.460 -0.131 0.000 1.000 255 Y HN 0.076 nan 8.280 nan 0.000 0.554 256 L N 0.199 121.477 121.223 0.091 0.000 2.005 256 L HA -0.145 4.191 4.340 -0.008 0.000 0.207 256 L C 2.061 178.945 176.870 0.024 0.000 1.072 256 L CA 1.593 56.478 54.840 0.075 0.000 0.744 256 L CB -0.912 41.228 42.059 0.136 0.000 0.895 256 L HN 0.194 nan 8.230 nan 0.000 0.433 257 I N -0.741 119.837 120.570 0.014 0.000 2.151 257 I HA -0.327 3.838 4.170 -0.008 0.000 0.243 257 I C 2.404 178.414 176.117 -0.179 0.000 1.080 257 I CA 1.553 62.852 61.300 -0.001 0.000 1.339 257 I CB -0.422 37.628 38.000 0.084 0.000 1.039 257 I HN 0.363 nan 8.210 nan 0.000 0.409 258 L N 1.040 121.953 121.223 -0.517 0.000 2.131 258 L HA -0.090 4.245 4.340 -0.008 0.000 0.210 258 L C 2.203 178.997 176.870 -0.127 0.000 1.092 258 L CA 2.137 56.541 54.840 -0.728 0.000 0.759 258 L CB -1.093 40.330 42.059 -1.059 0.000 0.903 258 L HN 0.178 nan 8.230 nan 0.000 0.435 259 G N -0.389 108.376 108.800 -0.059 0.000 2.394 259 G HA2 -0.186 3.769 3.960 -0.008 0.000 0.215 259 G HA3 -0.186 3.769 3.960 -0.008 0.000 0.215 259 G C 1.622 176.566 174.900 0.073 0.000 1.165 259 G CA 0.884 46.005 45.100 0.034 0.000 0.784 259 G HN 0.462 nan 8.290 nan 0.000 0.535 260 I N 0.548 121.143 120.570 0.042 0.000 2.264 260 I HA -0.153 4.012 4.170 -0.008 0.000 0.248 260 I C 2.573 178.726 176.117 0.061 0.000 1.111 260 I CA 0.819 62.157 61.300 0.063 0.000 1.382 260 I CB -0.146 37.895 38.000 0.070 0.000 1.060 260 I HN 0.177 nan 8.210 nan 0.000 0.418 261 I N -0.302 120.280 120.570 0.020 0.000 2.233 261 I HA -0.265 3.901 4.170 -0.008 0.000 0.243 261 I C 2.298 178.410 176.117 -0.008 0.000 1.093 261 I CA 1.470 62.753 61.300 -0.028 0.000 1.380 261 I CB -0.336 37.582 38.000 -0.137 0.000 1.067 261 I HN 0.037 nan 8.210 nan 0.000 0.413 262 F N 1.136 121.068 119.950 -0.031 0.000 2.216 262 F HA -0.133 4.389 4.527 -0.008 0.000 0.300 262 F C 2.501 178.327 175.800 0.043 0.000 1.085 262 F CA 1.558 59.573 58.000 0.025 0.000 1.326 262 F CB -0.783 38.194 39.000 -0.039 0.000 1.027 262 F HN 0.031 nan 8.300 nan 0.000 0.497 263 G N 0.534 109.446 108.800 0.186 0.000 2.422 263 G HA2 -0.231 3.725 3.960 -0.008 0.000 0.218 263 G HA3 -0.231 3.725 3.960 -0.008 0.000 0.218 263 G C 1.648 176.590 174.900 0.071 0.000 1.146 263 G CA 1.089 46.246 45.100 0.096 0.000 0.769 263 G HN 0.543 nan 8.290 nan 0.000 0.547 264 I N -3.365 117.256 120.570 0.085 0.000 2.716 264 I HA 0.273 4.438 4.170 -0.008 0.000 0.259 264 I C 2.326 178.480 176.117 0.062 0.000 1.172 264 I CA 0.596 61.937 61.300 0.068 0.000 1.478 264 I CB -0.180 37.866 38.000 0.077 0.000 1.104 264 I HN 0.031 nan 8.210 nan 0.000 0.439 265 F N 2.714 122.626 119.950 -0.064 0.000 2.416 265 F HA 0.314 4.838 4.527 -0.005 0.000 0.296 265 F C 2.222 177.973 175.800 -0.082 0.000 1.099 265 F CA 0.726 58.663 58.000 -0.105 0.000 1.427 265 F CB -0.488 38.430 39.000 -0.138 0.000 1.079 265 F HN 0.063 nan 8.300 nan 0.000 0.536 266 G N 1.323 110.059 108.800 -0.106 0.000 2.545 266 G HA2 -0.254 3.701 3.960 -0.008 0.000 0.217 266 G HA3 -0.254 3.701 3.960 -0.008 0.000 0.217 266 G C -0.607 174.156 174.900 -0.228 0.000 1.218 266 G CA 1.102 46.115 45.100 -0.145 0.000 0.787 266 G HN 0.276 nan 8.290 nan 0.000 0.571 267 P HA -0.093 nan 4.420 nan 0.000 0.214 267 P C 2.020 179.140 177.300 -0.301 0.000 1.163 267 P CA 0.950 63.946 63.100 -0.173 0.000 0.889 267 P CB -0.134 31.502 31.700 -0.105 0.000 0.790 268 I N -2.013 118.308 120.570 -0.416 0.000 2.145 268 I HA -0.298 3.867 4.170 -0.008 0.000 0.244 268 I C 2.282 177.721 176.117 -1.130 0.000 1.075 268 I CA 1.684 62.578 61.300 -0.677 0.000 1.332 268 I CB -0.723 36.871 38.000 -0.678 0.000 1.033 268 I HN -0.114 nan 8.210 nan 0.000 0.410 269 F N 1.805 120.973 119.950 -1.304 0.000 2.216 269 F HA -0.199 4.323 4.527 -0.008 0.000 0.300 269 F C 2.093 177.607 175.800 -0.477 0.000 1.085 269 F CA 1.771 59.125 58.000 -1.077 0.000 1.326 269 F CB -0.535 37.838 39.000 -1.044 0.000 1.027 269 F HN 0.093 nan 8.300 nan 0.000 0.497 270 N N -0.067 118.412 118.700 -0.369 0.000 2.171 270 N HA -0.163 4.572 4.740 -0.008 0.000 0.184 270 N C 1.722 177.116 175.510 -0.193 0.000 1.021 270 N CA 1.040 53.957 53.050 -0.222 0.000 0.854 270 N CB -0.080 38.337 38.487 -0.117 0.000 0.994 270 N HN 0.259 nan 8.380 nan 0.000 0.426 271 K N 0.328 120.606 120.400 -0.203 0.000 2.044 271 K HA -0.180 4.135 4.320 -0.008 0.000 0.210 271 K C 1.708 178.347 176.600 0.065 0.000 1.049 271 K CA 1.332 57.583 56.287 -0.061 0.000 0.927 271 K CB -0.170 32.306 32.500 -0.040 0.000 0.713 271 K HN 0.306 nan 8.250 nan 0.000 0.443 272 W N 0.421 121.590 121.300 -0.218 0.000 2.338 272 W HA -0.142 4.513 4.660 -0.009 0.000 0.304 272 W C 2.231 178.605 176.519 -0.242 0.000 1.212 272 W CA 0.212 57.416 57.345 -0.235 0.000 1.264 272 W CB -1.335 27.938 29.460 -0.313 0.000 1.142 272 W HN -0.061 nan 8.180 nan 0.000 0.512 273 V N 0.813 120.658 119.914 -0.115 0.000 2.358 273 V HA -0.250 3.866 4.120 -0.008 0.000 0.246 273 V C 2.081 178.200 176.094 0.040 0.000 1.047 273 V CA 1.815 64.084 62.300 -0.052 0.000 1.035 273 V CB -0.507 31.278 31.823 -0.064 0.000 0.658 273 V HN 0.096 nan 8.190 nan 0.000 0.452 274 L N 0.248 121.486 121.223 0.025 0.000 2.027 274 L HA 0.038 4.373 4.340 -0.008 0.000 0.206 274 L C 2.738 179.625 176.870 0.028 0.000 1.074 274 L CA 1.604 56.465 54.840 0.035 0.000 0.745 274 L CB -1.385 40.690 42.059 0.026 0.000 0.898 274 L HN 0.475 nan 8.230 nan 0.000 0.433 275 G N -0.097 108.726 108.800 0.038 0.000 2.459 275 G HA2 -0.350 3.605 3.960 -0.008 0.000 0.217 275 G HA3 -0.350 3.605 3.960 -0.008 0.000 0.217 275 G C 1.525 176.432 174.900 0.012 0.000 1.183 275 G CA 0.895 46.014 45.100 0.033 0.000 0.776 275 G HN 0.163 nan 8.290 nan 0.000 0.552 276 M N 0.448 120.057 119.600 0.015 0.000 2.346 276 M HA 0.010 4.486 4.480 -0.008 0.000 0.263 276 M C 2.413 178.721 176.300 0.013 0.000 1.064 276 M CA 1.183 56.485 55.300 0.002 0.000 1.083 276 M CB -0.365 32.242 32.600 0.011 0.000 1.399 276 M HN 0.361 nan 8.290 nan 0.000 0.435 277 Q N -0.464 119.348 119.800 0.021 0.000 2.083 277 Q HA -0.165 4.170 4.340 -0.008 0.000 0.198 277 Q C 1.443 177.447 176.000 0.008 0.000 0.969 277 Q CA 1.564 57.380 55.803 0.021 0.000 0.838 277 Q CB 0.048 28.793 28.738 0.011 0.000 0.900 277 Q HN 0.541 nan 8.270 nan 0.000 0.436 278 D N 0.564 120.962 120.400 -0.004 0.000 2.085 278 D HA -0.159 4.476 4.640 -0.008 0.000 0.199 278 D C 1.928 178.215 176.300 -0.022 0.000 0.981 278 D CA 0.664 54.660 54.000 -0.006 0.000 0.834 278 D CB -0.385 40.410 40.800 -0.008 0.000 0.992 278 D HN 0.192 nan 8.370 nan 0.000 0.457 279 L N 0.671 121.872 121.223 -0.037 0.000 2.089 279 L HA -0.192 4.143 4.340 -0.008 0.000 0.213 279 L C 2.311 179.117 176.870 -0.108 0.000 1.079 279 L CA 0.978 55.779 54.840 -0.065 0.000 0.758 279 L CB -0.062 41.964 42.059 -0.056 0.000 0.891 279 L HN 0.036 nan 8.230 nan 0.000 0.433 280 L N -1.857 119.309 121.223 -0.094 0.000 2.418 280 L HA -0.153 4.182 4.340 -0.008 0.000 0.218 280 L C 2.218 178.846 176.870 -0.404 0.000 1.125 280 L CA 0.223 54.974 54.840 -0.149 0.000 0.835 280 L CB -0.359 41.691 42.059 -0.015 0.000 0.953 280 L HN 0.312 nan 8.230 nan 0.000 0.454 281 H N 0.412 119.208 119.070 -0.456 0.000 2.462 281 H HA -0.039 4.513 4.556 -0.008 0.000 0.292 281 H C 2.269 177.122 175.328 -0.792 0.000 1.049 281 H CA 1.276 56.904 56.048 -0.700 0.000 1.334 281 H CB 0.248 29.840 29.762 -0.284 0.000 1.404 281 H HN 0.107 nan 8.280 nan 0.000 0.544 282 R N -0.664 119.542 120.500 -0.491 0.000 2.066 282 R HA -0.067 4.268 4.340 -0.008 0.000 0.232 282 R C 2.261 178.288 176.300 -0.455 0.000 1.131 282 R CA 1.348 57.210 56.100 -0.397 0.000 0.955 282 R CB -0.349 29.821 30.300 -0.217 0.000 0.851 282 R HN 0.164 nan 8.270 nan 0.000 0.432 283 V N 1.347 120.979 119.914 -0.470 0.000 2.546 283 V HA -0.253 3.863 4.120 -0.008 0.000 0.254 283 V C 1.576 177.479 176.094 -0.319 0.000 1.076 283 V CA 2.333 64.432 62.300 -0.334 0.000 1.087 283 V CB -0.745 30.936 31.823 -0.236 0.000 0.674 283 V HN 0.602 nan 8.190 nan 0.000 0.470 284 H N -2.660 116.214 119.070 -0.328 0.000 3.360 284 H HA 0.470 5.021 4.556 -0.008 0.000 0.262 284 H C 1.546 176.672 175.328 -0.336 0.000 1.149 284 H CA 0.107 55.977 56.048 -0.298 0.000 1.181 284 H CB -0.259 29.299 29.762 -0.341 0.000 1.564 284 H HN 0.203 nan 8.280 nan 0.000 0.565 285 G N 0.786 109.241 108.800 -0.574 0.000 2.309 285 G HA2 -0.153 3.802 3.960 -0.008 0.000 0.286 285 G HA3 -0.153 3.802 3.960 -0.008 0.000 0.286 285 G C 1.379 176.060 174.900 -0.364 0.000 1.002 285 G CA 1.148 45.944 45.100 -0.508 0.000 0.786 285 G HN 1.622 nan 8.290 nan 0.000 0.511 286 G N -1.280 107.417 108.800 -0.173 0.000 2.175 286 G HA2 -0.249 3.707 3.960 -0.008 0.000 0.244 286 G HA3 -0.249 3.707 3.960 -0.008 0.000 0.244 286 G C 0.225 175.329 174.900 0.341 0.000 0.982 286 G CA 0.721 45.967 45.100 0.244 0.000 0.641 286 G HN 1.734 nan 8.290 nan 0.000 0.527 287 N N 0.769 119.596 118.700 0.211 0.000 2.438 287 N HA 0.343 5.078 4.740 -0.008 0.000 0.267 287 N C 1.585 177.246 175.510 0.252 0.000 1.222 287 N CA 0.342 53.501 53.050 0.180 0.000 0.930 287 N CB 0.285 38.833 38.487 0.101 0.000 1.083 287 N HN 0.310 nan 8.380 nan 0.000 0.476 288 I N 2.626 123.328 120.570 0.220 0.000 2.399 288 I HA -0.311 3.854 4.170 -0.008 0.000 0.254 288 I C 1.057 177.279 176.117 0.176 0.000 1.146 288 I CA 1.341 62.764 61.300 0.206 0.000 1.412 288 I CB 0.063 38.151 38.000 0.147 0.000 1.076 288 I HN 0.602 nan 8.210 nan 0.000 0.432 289 T N 0.319 114.946 114.554 0.122 0.000 2.937 289 T HA -0.074 4.272 4.350 -0.008 0.000 0.260 289 T C 1.771 176.520 174.700 0.082 0.000 1.051 289 T CA 0.909 63.051 62.100 0.070 0.000 1.141 289 T CB 0.027 68.915 68.868 0.033 0.000 0.879 289 T HN 0.337 nan 8.240 nan 0.000 0.459 290 K N -0.108 120.357 120.400 0.107 0.000 2.288 290 K HA -0.020 4.295 4.320 -0.008 0.000 0.201 290 K C 1.921 178.603 176.600 0.137 0.000 1.048 290 K CA 0.480 56.827 56.287 0.100 0.000 0.956 290 K CB 0.056 32.612 32.500 0.094 0.000 0.746 290 K HN 0.315 nan 8.250 nan 0.000 0.461 291 W N 1.194 122.456 121.300 -0.065 0.000 2.463 291 W HA -0.109 4.546 4.660 -0.008 0.000 0.316 291 W C 1.791 178.196 176.519 -0.190 0.000 1.170 291 W CA 0.686 57.885 57.345 -0.244 0.000 1.355 291 W CB -0.700 28.545 29.460 -0.358 0.000 1.159 291 W HN -0.267 nan 8.180 nan 0.000 0.487 292 V N 1.538 121.569 119.914 0.195 0.000 2.370 292 V HA -0.338 3.777 4.120 -0.008 0.000 0.252 292 V C 2.404 178.463 176.094 -0.057 0.000 1.068 292 V CA 1.978 64.309 62.300 0.051 0.000 1.061 292 V CB -1.069 30.794 31.823 0.066 0.000 0.656 292 V HN 0.145 nan 8.190 nan 0.000 0.455 293 L N -1.487 119.730 121.223 -0.011 0.000 2.179 293 L HA -0.121 4.214 4.340 -0.008 0.000 0.208 293 L C 2.406 179.249 176.870 -0.044 0.000 1.096 293 L CA 1.465 56.294 54.840 -0.019 0.000 0.779 293 L CB -0.403 41.662 42.059 0.010 0.000 0.922 293 L HN 0.363 nan 8.230 nan 0.000 0.443 294 M N -0.100 119.473 119.600 -0.044 0.000 2.099 294 M HA -0.114 4.361 4.480 -0.008 0.000 0.262 294 M C 2.123 178.317 176.300 -0.178 0.000 1.067 294 M CA 2.125 57.398 55.300 -0.046 0.000 1.124 294 M CB -0.401 32.214 32.600 0.026 0.000 1.353 294 M HN 0.248 nan 8.290 nan 0.000 0.410 295 G N -0.694 107.807 108.800 -0.498 0.000 2.418 295 G HA2 -0.169 3.786 3.960 -0.008 0.000 0.217 295 G HA3 -0.169 3.786 3.960 -0.008 0.000 0.217 295 G C 1.413 176.014 174.900 -0.498 0.000 1.158 295 G CA 0.833 45.236 45.100 -1.161 0.000 0.771 295 G HN 0.618 nan 8.290 nan 0.000 0.545 296 G N 0.953 109.569 108.800 -0.306 0.000 2.450 296 G HA2 0.043 3.998 3.960 -0.008 0.000 0.220 296 G HA3 0.043 3.998 3.960 -0.008 0.000 0.220 296 G C 1.950 176.777 174.900 -0.122 0.000 1.130 296 G CA 1.528 46.555 45.100 -0.122 0.000 0.760 296 G HN 0.650 nan 8.290 nan 0.000 0.557 297 A N 0.689 123.474 122.820 -0.057 0.000 1.874 297 A HA 0.177 4.493 4.320 -0.008 0.000 0.214 297 A C 2.371 179.916 177.584 -0.065 0.000 1.189 297 A CA 1.025 53.090 52.037 0.048 0.000 0.615 297 A CB -0.252 18.818 19.000 0.116 0.000 0.830 297 A HN 0.347 nan 8.150 nan 0.000 0.443 298 I N -0.137 120.402 120.570 -0.051 0.000 2.226 298 I HA -0.175 3.990 4.170 -0.008 0.000 0.245 298 I C 2.695 178.782 176.117 -0.051 0.000 1.100 298 I CA 1.064 62.360 61.300 -0.006 0.000 1.374 298 I CB -0.735 37.308 38.000 0.072 0.000 1.057 298 I HN 0.384 nan 8.210 nan 0.000 0.413 299 G N 0.863 109.619 108.800 -0.073 0.000 2.459 299 G HA2 -0.207 3.749 3.960 -0.008 0.000 0.217 299 G HA3 -0.207 3.749 3.960 -0.008 0.000 0.217 299 G C 1.748 176.484 174.900 -0.273 0.000 1.183 299 G CA 0.874 45.929 45.100 -0.076 0.000 0.776 299 G HN 0.484 nan 8.290 nan 0.000 0.552 300 G N 0.674 109.095 108.800 -0.631 0.000 2.442 300 G HA2 -0.152 3.803 3.960 -0.008 0.000 0.219 300 G HA3 -0.152 3.803 3.960 -0.008 0.000 0.219 300 G C 1.753 176.151 174.900 -0.836 0.000 1.141 300 G CA 1.091 45.399 45.100 -1.320 0.000 0.763 300 G HN 0.443 nan 8.290 nan 0.000 0.554 301 L N 0.480 121.447 121.223 -0.427 0.000 2.083 301 L HA 0.012 4.347 4.340 -0.008 0.000 0.209 301 L C 2.633 179.502 176.870 -0.002 0.000 1.083 301 L CA 1.428 56.252 54.840 -0.027 0.000 0.752 301 L CB -0.787 41.306 42.059 0.055 0.000 0.899 301 L HN 0.237 nan 8.230 nan 0.000 0.433 302 C N -0.187 119.088 119.300 -0.041 0.000 2.466 302 C HA 0.062 4.517 4.460 -0.008 0.000 0.278 302 C C 2.747 177.746 174.990 0.016 0.000 1.288 302 C CA 0.545 59.568 59.018 0.007 0.000 1.722 302 C CB -1.754 25.995 27.740 0.016 0.000 2.017 302 C HN 0.734 nan 8.230 nan 0.000 0.488 303 G N 0.141 108.923 108.800 -0.030 0.000 2.443 303 G HA2 -0.153 3.802 3.960 -0.008 0.000 0.219 303 G HA3 -0.153 3.802 3.960 -0.008 0.000 0.219 303 G C 1.525 176.465 174.900 0.068 0.000 1.131 303 G CA 0.746 45.847 45.100 0.003 0.000 0.775 303 G HN 0.473 nan 8.290 nan 0.000 0.547 304 L N 0.320 121.592 121.223 0.082 0.000 2.023 304 L HA 0.190 4.525 4.340 -0.008 0.000 0.205 304 L C 2.628 179.613 176.870 0.192 0.000 1.073 304 L CA 1.299 56.237 54.840 0.163 0.000 0.745 304 L CB -0.359 41.830 42.059 0.218 0.000 0.900 304 L HN 0.156 nan 8.230 nan 0.000 0.435 305 L N -0.309 121.003 121.223 0.148 0.000 2.265 305 L HA -0.076 4.260 4.340 -0.008 0.000 0.215 305 L C 1.873 178.829 176.870 0.143 0.000 1.117 305 L CA 0.794 55.719 54.840 0.142 0.000 0.782 305 L CB -1.101 41.019 42.059 0.103 0.000 0.914 305 L HN 0.489 nan 8.230 nan 0.000 0.441 306 G N -1.775 107.111 108.800 0.144 0.000 3.340 306 G HA2 -0.038 3.917 3.960 -0.008 0.000 0.240 306 G HA3 -0.038 3.917 3.960 -0.008 0.000 0.240 306 G C 0.521 175.566 174.900 0.242 0.000 1.327 306 G CA -0.016 45.172 45.100 0.146 0.000 1.170 306 G HN 0.387 nan 8.290 nan 0.000 0.520 307 F N -0.837 119.157 119.950 0.073 0.000 2.959 307 F HA 0.068 4.593 4.527 -0.004 0.000 0.411 307 F C 1.315 177.181 175.800 0.110 0.000 0.957 307 F CA 0.468 58.516 58.000 0.080 0.000 0.967 307 F CB 0.449 39.485 39.000 0.060 0.000 1.325 307 F HN 0.083 nan 8.300 nan 0.000 0.553 308 V N -1.222 118.756 119.914 0.105 0.000 3.556 308 V HA 0.840 4.955 4.120 -0.008 0.000 0.287 308 V C 0.376 176.522 176.094 0.087 0.000 1.422 308 V CA 0.654 62.999 62.300 0.076 0.000 1.038 308 V CB 0.314 32.256 31.823 0.198 0.000 0.850 308 V HN 0.640 nan 8.190 nan 0.000 0.437 309 A N 0.031 122.915 122.820 0.107 0.000 2.778 309 A HA 0.548 4.864 4.320 -0.008 0.000 0.249 309 A C -1.955 175.699 177.584 0.116 0.000 1.317 309 A CA 0.019 52.151 52.037 0.158 0.000 1.170 309 A CB -0.152 19.018 19.000 0.283 0.000 1.341 309 A HN 0.230 nan 8.150 nan 0.000 0.785 310 P HA -0.240 nan 4.420 nan 0.000 0.217 310 P C 1.750 179.093 177.300 0.071 0.000 1.151 310 P CA 2.346 65.497 63.100 0.086 0.000 0.849 310 P CB 0.295 32.048 31.700 0.088 0.000 0.787 311 A N -1.035 121.826 122.820 0.068 0.000 2.225 311 A HA -0.110 4.205 4.320 -0.008 0.000 0.215 311 A C 1.915 179.451 177.584 -0.080 0.000 1.164 311 A CA 1.920 53.965 52.037 0.013 0.000 0.710 311 A CB -1.453 17.524 19.000 -0.039 0.000 0.780 311 A HN 0.367 nan 8.150 nan 0.000 0.473 312 T N -4.754 109.753 114.554 -0.079 0.000 3.001 312 T HA 0.302 4.647 4.350 -0.008 0.000 0.251 312 T C 0.900 175.573 174.700 -0.045 0.000 1.040 312 T CA 0.664 62.683 62.100 -0.135 0.000 0.985 312 T CB -0.005 68.754 68.868 -0.182 0.000 1.011 312 T HN 0.253 nan 8.240 nan 0.000 0.509 313 S N -0.551 115.151 115.700 0.003 0.000 2.801 313 S HA 0.705 5.170 4.470 -0.008 0.000 0.312 313 S C 0.678 175.296 174.600 0.029 0.000 1.112 313 S CA 0.324 58.539 58.200 0.025 0.000 0.943 313 S CB 0.809 64.038 63.200 0.047 0.000 1.269 313 S HN 1.393 nan 8.310 nan 0.000 0.558 314 G N 0.037 108.856 108.800 0.032 0.000 2.894 314 G HA2 -0.090 3.865 3.960 -0.008 0.000 0.247 314 G HA3 -0.090 3.865 3.960 -0.008 0.000 0.247 314 G C 0.881 175.780 174.900 -0.001 0.000 1.442 314 G CA 0.069 45.183 45.100 0.023 0.000 0.897 314 G HN 1.574 nan 8.290 nan 0.000 0.550 315 G N -1.079 107.698 108.800 -0.037 0.000 2.450 315 G HA2 0.345 4.301 3.960 -0.008 0.000 0.220 315 G HA3 0.345 4.301 3.960 -0.008 0.000 0.220 315 G C 2.092 176.910 174.900 -0.135 0.000 1.130 315 G CA 2.113 47.133 45.100 -0.133 0.000 0.760 315 G HN 2.772 nan 8.290 nan 0.000 0.557 316 G N -0.815 107.973 108.800 -0.020 0.000 2.213 316 G HA2 -0.290 3.666 3.960 -0.008 0.000 0.226 316 G HA3 -0.290 3.666 3.960 -0.008 0.000 0.226 316 G C 1.219 176.245 174.900 0.210 0.000 0.992 316 G CA 0.448 45.587 45.100 0.065 0.000 0.632 316 G HN 0.424 nan 8.290 nan 0.000 0.511 317 F N 1.378 121.395 119.950 0.112 0.000 2.120 317 F HA -0.207 4.315 4.527 -0.009 0.000 0.300 317 F C 2.709 178.573 175.800 0.107 0.000 1.095 317 F CA 1.563 59.632 58.000 0.115 0.000 1.249 317 F CB -0.198 38.877 39.000 0.124 0.000 0.995 317 F HN 0.221 nan 8.300 nan 0.000 0.480 318 N N 0.997 119.880 118.700 0.306 0.000 2.094 318 N HA -0.207 4.529 4.740 -0.008 0.000 0.191 318 N C 1.586 177.217 175.510 0.201 0.000 1.023 318 N CA 1.635 54.810 53.050 0.209 0.000 0.857 318 N CB -0.711 37.879 38.487 0.172 0.000 1.013 318 N HN 0.329 nan 8.380 nan 0.000 0.426 319 L N -1.762 119.605 121.223 0.240 0.000 2.552 319 L HA 0.260 4.595 4.340 -0.008 0.000 0.227 319 L C 1.503 178.554 176.870 0.301 0.000 1.146 319 L CA 0.946 55.980 54.840 0.322 0.000 0.858 319 L CB -0.430 41.833 42.059 0.341 0.000 0.969 319 L HN 0.068 nan 8.230 nan 0.000 0.451 320 I N 0.486 121.194 120.570 0.229 0.000 2.133 320 I HA -0.103 4.063 4.170 -0.008 0.000 0.238 320 I C -0.040 176.155 176.117 0.129 0.000 1.074 320 I CA 1.182 62.592 61.300 0.184 0.000 1.342 320 I CB -1.580 36.520 38.000 0.167 0.000 1.053 320 I HN 0.243 nan 8.210 nan 0.000 0.404 321 P HA -0.171 nan 4.420 nan 0.000 0.216 321 P C 1.850 179.156 177.300 0.010 0.000 1.153 321 P CA 1.645 64.771 63.100 0.042 0.000 0.858 321 P CB -0.012 31.707 31.700 0.032 0.000 0.789 322 I N -0.669 119.891 120.570 -0.016 0.000 2.142 322 I HA -0.275 3.890 4.170 -0.008 0.000 0.240 322 I C 2.375 178.375 176.117 -0.196 0.000 1.078 322 I CA 1.704 62.887 61.300 -0.195 0.000 1.343 322 I CB -1.024 36.743 38.000 -0.389 0.000 1.046 322 I HN -0.086 nan 8.210 nan 0.000 0.405 323 A N 0.578 123.436 122.820 0.063 0.000 1.908 323 A HA -0.215 4.100 4.320 -0.008 0.000 0.218 323 A C 2.375 180.043 177.584 0.141 0.000 1.181 323 A CA 2.555 54.752 52.037 0.268 0.000 0.627 323 A CB -1.215 18.035 19.000 0.417 0.000 0.818 323 A HN 0.445 nan 8.150 nan 0.000 0.445 324 T N 0.437 115.053 114.554 0.104 0.000 2.759 324 T HA -0.032 4.314 4.350 -0.008 0.000 0.269 324 T C 2.044 176.778 174.700 0.057 0.000 1.042 324 T CA 1.472 63.622 62.100 0.084 0.000 1.140 324 T CB -0.400 68.505 68.868 0.062 0.000 0.864 324 T HN 0.603 nan 8.240 nan 0.000 0.455 325 A N 0.557 123.388 122.820 0.018 0.000 2.168 325 A HA 0.436 4.751 4.320 -0.008 0.000 0.215 325 A C 1.998 179.583 177.584 0.002 0.000 1.152 325 A CA 1.041 53.078 52.037 -0.001 0.000 0.716 325 A CB -0.888 18.091 19.000 -0.035 0.000 0.794 325 A HN 0.877 nan 8.150 nan 0.000 0.465 326 G N -0.711 108.097 108.800 0.013 0.000 2.149 326 G HA2 -0.271 3.684 3.960 -0.008 0.000 0.235 326 G HA3 -0.271 3.684 3.960 -0.008 0.000 0.235 326 G C 0.347 175.242 174.900 -0.008 0.000 1.018 326 G CA 0.453 45.571 45.100 0.030 0.000 0.728 326 G HN 0.637 nan 8.290 nan 0.000 0.508 327 N N -1.083 117.556 118.700 -0.100 0.000 2.422 327 N HA 0.229 4.965 4.740 -0.008 0.000 0.181 327 N C 0.118 175.537 175.510 -0.151 0.000 1.080 327 N CA -0.019 52.928 53.050 -0.172 0.000 0.893 327 N CB 0.141 38.452 38.487 -0.293 0.000 0.973 327 N HN 0.347 nan 8.380 nan 0.000 0.456 328 F N 0.976 120.951 119.950 0.042 0.000 2.399 328 F HA 0.274 4.793 4.527 -0.014 0.000 0.328 328 F C 1.051 176.872 175.800 0.035 0.000 1.084 328 F CA -1.604 56.425 58.000 0.048 0.000 1.053 328 F CB 0.995 40.033 39.000 0.062 0.000 1.209 328 F HN -0.173 nan 8.300 nan 0.000 0.502 329 S N 1.854 117.710 115.700 0.259 0.000 2.652 329 S HA 0.270 4.736 4.470 -0.008 0.000 0.270 329 S C 1.045 175.709 174.600 0.106 0.000 1.243 329 S CA -0.756 57.523 58.200 0.132 0.000 0.999 329 S CB 1.019 64.275 63.200 0.093 0.000 0.973 329 S HN 0.726 nan 8.310 nan 0.000 0.544 330 M N 2.419 122.050 119.600 0.052 0.000 2.082 330 M HA 0.010 4.485 4.480 -0.008 0.000 0.258 330 M C 1.975 178.293 176.300 0.030 0.000 1.069 330 M CA 2.411 57.724 55.300 0.021 0.000 1.102 330 M CB -1.576 31.016 32.600 -0.013 0.000 1.336 330 M HN 0.942 nan 8.290 nan 0.000 0.404 331 G N -0.469 108.353 108.800 0.037 0.000 2.440 331 G HA2 -0.266 3.689 3.960 -0.008 0.000 0.218 331 G HA3 -0.266 3.689 3.960 -0.008 0.000 0.218 331 G C 1.465 176.419 174.900 0.089 0.000 1.154 331 G CA 1.296 46.425 45.100 0.048 0.000 0.767 331 G HN 0.517 nan 8.290 nan 0.000 0.552 332 M N 0.355 120.012 119.600 0.094 0.000 2.175 332 M HA 0.188 4.663 4.480 -0.008 0.000 0.264 332 M C 2.302 178.612 176.300 0.016 0.000 1.063 332 M CA 1.070 56.437 55.300 0.111 0.000 1.119 332 M CB -0.418 32.254 32.600 0.120 0.000 1.377 332 M HN 0.182 nan 8.290 nan 0.000 0.415 333 L N -1.459 119.758 121.223 -0.010 0.000 2.017 333 L HA -0.197 4.139 4.340 -0.008 0.000 0.208 333 L C 2.256 179.133 176.870 0.012 0.000 1.073 333 L CA 1.033 55.842 54.840 -0.051 0.000 0.745 333 L CB -1.017 41.042 42.059 -0.000 0.000 0.894 333 L HN 0.117 nan 8.230 nan 0.000 0.432 334 V N -0.232 119.711 119.914 0.048 0.000 2.343 334 V HA -0.333 3.782 4.120 -0.008 0.000 0.247 334 V C 2.201 178.391 176.094 0.160 0.000 1.051 334 V CA 2.070 64.427 62.300 0.093 0.000 1.036 334 V CB -0.666 31.199 31.823 0.071 0.000 0.654 334 V HN 0.387 nan 8.190 nan 0.000 0.451 335 F N 0.562 120.518 119.950 0.010 0.000 2.075 335 F HA -0.201 4.323 4.527 -0.005 0.000 0.297 335 F C 2.225 178.023 175.800 -0.003 0.000 1.113 335 F CA 1.939 59.940 58.000 0.002 0.000 1.218 335 F CB -0.138 38.847 39.000 -0.025 0.000 0.984 335 F HN 0.033 nan 8.300 nan 0.000 0.472 336 I N -0.373 119.975 120.570 -0.369 0.000 2.163 336 I HA -0.312 3.854 4.170 -0.008 0.000 0.243 336 I C 2.306 178.275 176.117 -0.247 0.000 1.085 336 I CA 1.492 62.509 61.300 -0.472 0.000 1.347 336 I CB -0.692 37.087 38.000 -0.367 0.000 1.044 336 I HN 0.247 nan 8.210 nan 0.000 0.408 337 F N 1.578 121.397 119.950 -0.219 0.000 2.011 337 F HA -0.274 4.248 4.527 -0.009 0.000 0.296 337 F C 2.465 178.209 175.800 -0.092 0.000 1.144 337 F CA 2.034 59.950 58.000 -0.140 0.000 1.185 337 F CB -0.758 38.164 39.000 -0.130 0.000 0.961 337 F HN -0.230 nan 8.300 nan 0.000 0.485 338 V N 0.695 120.569 119.914 -0.067 0.000 2.282 338 V HA -0.376 3.739 4.120 -0.008 0.000 0.249 338 V C 2.726 178.724 176.094 -0.160 0.000 1.057 338 V CA 2.089 64.330 62.300 -0.098 0.000 1.032 338 V CB -1.773 30.085 31.823 0.059 0.000 0.645 338 V HN 0.557 nan 8.190 nan 0.000 0.447 339 A N -0.249 122.426 122.820 -0.242 0.000 1.908 339 A HA -0.236 4.079 4.320 -0.008 0.000 0.218 339 A C 2.382 179.852 177.584 -0.190 0.000 1.181 339 A CA 1.925 53.804 52.037 -0.263 0.000 0.627 339 A CB -0.478 18.179 19.000 -0.572 0.000 0.818 339 A HN 0.543 nan 8.150 nan 0.000 0.445 340 R N -0.808 119.560 120.500 -0.221 0.000 2.119 340 R HA -0.008 4.328 4.340 -0.008 0.000 0.222 340 R C 1.982 178.233 176.300 -0.081 0.000 1.088 340 R CA 1.145 57.161 56.100 -0.140 0.000 0.984 340 R CB -0.484 29.730 30.300 -0.143 0.000 0.884 340 R HN 0.401 nan 8.270 nan 0.000 0.447 341 V N 1.611 121.431 119.914 -0.157 0.000 2.392 341 V HA -0.255 3.860 4.120 -0.008 0.000 0.249 341 V C 2.234 178.404 176.094 0.127 0.000 1.059 341 V CA 1.742 64.075 62.300 0.055 0.000 1.051 341 V CB -0.381 31.468 31.823 0.044 0.000 0.658 341 V HN 0.262 nan 8.190 nan 0.000 0.455 342 I N 0.690 121.272 120.570 0.020 0.000 2.233 342 I HA -0.190 3.975 4.170 -0.008 0.000 0.243 342 I C 2.681 178.824 176.117 0.043 0.000 1.093 342 I CA 1.929 63.238 61.300 0.015 0.000 1.380 342 I CB -0.676 37.313 38.000 -0.018 0.000 1.067 342 I HN 0.474 nan 8.210 nan 0.000 0.413 343 T N -2.399 112.175 114.554 0.033 0.000 2.904 343 T HA -0.097 4.249 4.350 -0.008 0.000 0.267 343 T C 1.790 176.551 174.700 0.102 0.000 1.059 343 T CA 1.565 63.698 62.100 0.055 0.000 1.137 343 T CB -0.736 68.147 68.868 0.026 0.000 0.879 343 T HN 0.215 nan 8.240 nan 0.000 0.467 344 T N 2.622 117.250 114.554 0.124 0.000 2.668 344 T HA 0.121 4.467 4.350 -0.008 0.000 0.262 344 T C 1.952 176.798 174.700 0.245 0.000 1.045 344 T CA 1.084 63.297 62.100 0.190 0.000 1.152 344 T CB -0.587 68.423 68.868 0.235 0.000 0.864 344 T HN 0.239 nan 8.240 nan 0.000 0.419 345 L N 0.248 121.602 121.223 0.218 0.000 1.971 345 L HA -0.152 4.183 4.340 -0.008 0.000 0.215 345 L C 2.549 179.519 176.870 0.166 0.000 1.072 345 L CA 1.146 56.088 54.840 0.169 0.000 0.758 345 L CB -0.679 41.431 42.059 0.085 0.000 0.889 345 L HN 0.189 nan 8.230 nan 0.000 0.433 346 L N -0.780 120.520 121.223 0.129 0.000 2.043 346 L HA -0.277 4.058 4.340 -0.008 0.000 0.212 346 L C 2.544 179.521 176.870 0.179 0.000 1.075 346 L CA 1.775 56.690 54.840 0.125 0.000 0.752 346 L CB -0.608 41.507 42.059 0.094 0.000 0.891 346 L HN 0.384 nan 8.230 nan 0.000 0.432 347 C N -2.347 117.074 119.300 0.201 0.000 2.500 347 C HA -0.082 4.373 4.460 -0.008 0.000 0.279 347 C C 2.549 177.696 174.990 0.262 0.000 1.288 347 C CA 0.006 59.165 59.018 0.234 0.000 1.710 347 C CB -0.903 26.959 27.740 0.203 0.000 2.052 347 C HN 0.544 nan 8.230 nan 0.000 0.488 348 F N 2.214 122.244 119.950 0.134 0.000 2.074 348 F HA -0.078 4.444 4.527 -0.008 0.000 0.293 348 F C 2.558 178.442 175.800 0.140 0.000 1.116 348 F CA 1.948 60.025 58.000 0.128 0.000 1.212 348 F CB -0.714 38.367 39.000 0.136 0.000 0.998 348 F HN 0.049 nan 8.300 nan 0.000 0.471 349 S N -0.126 115.640 115.700 0.110 0.000 2.419 349 S HA -0.215 4.250 4.470 -0.008 0.000 0.235 349 S C 2.086 176.724 174.600 0.064 0.000 1.019 349 S CA 1.336 59.548 58.200 0.019 0.000 0.982 349 S CB -0.881 62.374 63.200 0.091 0.000 0.789 349 S HN 0.588 nan 8.310 nan 0.000 0.490 350 S N 0.773 116.571 115.700 0.163 0.000 2.595 350 S HA 0.179 4.644 4.470 -0.008 0.000 0.235 350 S C 1.529 176.416 174.600 0.480 0.000 0.974 350 S CA 0.862 59.264 58.200 0.337 0.000 0.942 350 S CB -0.614 62.838 63.200 0.420 0.000 0.766 350 S HN 0.844 nan 8.310 nan 0.000 0.536 351 G N 0.459 109.358 108.800 0.164 0.000 2.148 351 G HA2 -0.118 3.838 3.960 -0.008 0.000 0.254 351 G HA3 -0.118 3.838 3.960 -0.008 0.000 0.254 351 G C 0.253 175.048 174.900 -0.174 0.000 0.981 351 G CA 0.036 45.171 45.100 0.059 0.000 0.670 351 G HN 1.381 nan 8.290 nan 0.000 0.528 352 A N 1.028 123.697 122.820 -0.253 0.000 2.462 352 A HA 0.590 4.905 4.320 -0.008 0.000 0.243 352 A C -1.169 176.235 177.584 -0.299 0.000 1.076 352 A CA -0.410 51.259 52.037 -0.613 0.000 0.773 352 A CB 0.272 19.028 19.000 -0.408 0.000 1.010 352 A HN 0.302 nan 8.150 nan 0.000 0.493 353 P HA 0.367 nan 4.420 nan 0.000 0.269 353 P C 0.161 177.453 177.300 -0.015 0.000 1.252 353 P CA 0.769 63.790 63.100 -0.131 0.000 0.780 353 P CB 0.538 32.158 31.700 -0.133 0.000 0.829 354 G N 1.956 110.799 108.800 0.071 0.000 2.338 354 G HA2 0.494 4.449 3.960 -0.008 0.000 0.295 354 G HA3 0.494 4.449 3.960 -0.008 0.000 0.295 354 G C -0.948 174.109 174.900 0.263 0.000 1.461 354 G CA -0.381 44.807 45.100 0.147 0.000 0.817 354 G HN 0.538 nan 8.290 nan 0.000 0.556 355 G N -1.367 107.558 108.800 0.208 0.000 2.488 355 G HA2 0.580 4.536 3.960 -0.008 0.000 0.318 355 G HA3 0.580 4.536 3.960 -0.008 0.000 0.318 355 G C 0.391 175.359 174.900 0.113 0.000 1.188 355 G CA -0.264 44.965 45.100 0.215 0.000 0.944 355 G HN 1.119 nan 8.290 nan 0.000 0.495 356 I N -0.370 120.139 120.570 -0.102 0.000 4.240 356 I HA 0.302 4.467 4.170 -0.008 0.000 0.331 356 I C 1.246 177.323 176.117 -0.067 0.000 1.381 356 I CA -0.398 60.721 61.300 -0.303 0.000 1.136 356 I CB 0.099 37.436 38.000 -1.106 0.000 1.137 356 I HN 0.552 nan 8.210 nan 0.000 0.411 357 F N 1.966 121.893 119.950 -0.039 0.000 2.051 357 F HA -0.167 4.355 4.527 -0.007 0.000 0.296 357 F C 2.457 178.292 175.800 0.059 0.000 1.122 357 F CA 2.456 60.483 58.000 0.045 0.000 1.201 357 F CB -0.126 38.975 39.000 0.168 0.000 0.978 357 F HN 0.118 nan 8.300 nan 0.000 0.472 358 A N 0.240 123.311 122.820 0.420 0.000 1.877 358 A HA -0.096 4.219 4.320 -0.008 0.000 0.216 358 A C -0.244 177.366 177.584 0.043 0.000 1.186 358 A CA 1.743 53.939 52.037 0.265 0.000 0.620 358 A CB -2.152 16.884 19.000 0.061 0.000 0.822 358 A HN 0.323 nan 8.150 nan 0.000 0.443 359 P HA -0.192 nan 4.420 nan 0.000 0.217 359 P C 1.581 178.851 177.300 -0.050 0.000 1.151 359 P CA 1.519 64.608 63.100 -0.019 0.000 0.849 359 P CB -0.185 31.519 31.700 0.007 0.000 0.787 360 M N -2.193 117.342 119.600 -0.108 0.000 2.296 360 M HA -0.091 4.384 4.480 -0.008 0.000 0.265 360 M C 1.936 178.162 176.300 -0.123 0.000 1.064 360 M CA 1.369 56.557 55.300 -0.187 0.000 1.109 360 M CB -0.645 31.778 32.600 -0.296 0.000 1.396 360 M HN -0.028 nan 8.290 nan 0.000 0.430 361 L N -0.286 120.882 121.223 -0.092 0.000 2.027 361 L HA -0.153 4.183 4.340 -0.008 0.000 0.206 361 L C 2.873 179.774 176.870 0.051 0.000 1.074 361 L CA 1.225 56.042 54.840 -0.038 0.000 0.745 361 L CB -0.905 41.183 42.059 0.047 0.000 0.898 361 L HN 0.274 nan 8.230 nan 0.000 0.433 362 A N 0.378 123.247 122.820 0.082 0.000 1.865 362 A HA -0.208 4.107 4.320 -0.008 0.000 0.217 362 A C 2.251 179.903 177.584 0.113 0.000 1.191 362 A CA 1.694 53.796 52.037 0.109 0.000 0.623 362 A CB -0.901 18.149 19.000 0.082 0.000 0.826 362 A HN 0.355 nan 8.150 nan 0.000 0.444 363 L N -0.718 120.554 121.223 0.082 0.000 2.042 363 L HA -0.164 4.171 4.340 -0.008 0.000 0.210 363 L C 2.850 179.888 176.870 0.280 0.000 1.076 363 L CA 1.194 56.136 54.840 0.170 0.000 0.749 363 L CB -0.926 41.151 42.059 0.030 0.000 0.893 363 L HN 0.515 nan 8.230 nan 0.000 0.432 364 G N -0.822 108.120 108.800 0.238 0.000 2.418 364 G HA2 -0.232 3.724 3.960 -0.008 0.000 0.217 364 G HA3 -0.232 3.724 3.960 -0.008 0.000 0.217 364 G C 1.555 176.634 174.900 0.299 0.000 1.158 364 G CA 1.270 46.599 45.100 0.381 0.000 0.771 364 G HN 0.293 nan 8.290 nan 0.000 0.545 365 T N 0.995 115.650 114.554 0.170 0.000 2.595 365 T HA -0.147 4.199 4.350 -0.008 0.000 0.264 365 T C 2.524 177.324 174.700 0.167 0.000 1.058 365 T CA 1.469 63.659 62.100 0.151 0.000 1.166 365 T CB -0.562 68.390 68.868 0.140 0.000 0.863 365 T HN 0.028 nan 8.240 nan 0.000 0.415 366 V N 1.700 121.712 119.914 0.163 0.000 2.250 366 V HA -0.184 3.931 4.120 -0.008 0.000 0.250 366 V C 2.473 178.580 176.094 0.022 0.000 1.060 366 V CA 1.812 64.186 62.300 0.123 0.000 1.030 366 V CB -0.813 31.101 31.823 0.151 0.000 0.643 366 V HN 0.314 nan 8.190 nan 0.000 0.445 367 L N 1.156 122.344 121.223 -0.059 0.000 2.012 367 L HA -0.067 4.268 4.340 -0.008 0.000 0.210 367 L C 2.379 179.215 176.870 -0.057 0.000 1.073 367 L CA 2.550 57.188 54.840 -0.335 0.000 0.748 367 L CB -1.459 40.233 42.059 -0.611 0.000 0.891 367 L HN 0.290 nan 8.230 nan 0.000 0.431 368 G N -1.896 107.009 108.800 0.175 0.000 2.446 368 G HA2 -0.288 3.667 3.960 -0.008 0.000 0.217 368 G HA3 -0.288 3.667 3.960 -0.008 0.000 0.217 368 G C 1.419 176.466 174.900 0.245 0.000 1.168 368 G CA 1.341 46.603 45.100 0.270 0.000 0.771 368 G HN 0.456 nan 8.290 nan 0.000 0.551 369 T N 1.918 116.577 114.554 0.176 0.000 2.622 369 T HA -0.074 4.272 4.350 -0.008 0.000 0.266 369 T C 2.832 177.581 174.700 0.082 0.000 1.047 369 T CA 1.961 64.154 62.100 0.155 0.000 1.159 369 T CB -0.683 68.276 68.868 0.152 0.000 0.863 369 T HN 0.412 nan 8.240 nan 0.000 0.422 370 A N 1.134 123.969 122.820 0.025 0.000 1.927 370 A HA -0.177 4.138 4.320 -0.008 0.000 0.220 370 A C 2.053 179.583 177.584 -0.090 0.000 1.185 370 A CA 2.052 54.058 52.037 -0.052 0.000 0.639 370 A CB -1.175 17.749 19.000 -0.127 0.000 0.820 370 A HN 0.503 nan 8.150 nan 0.000 0.451 371 F N 0.868 120.710 119.950 -0.181 0.000 2.102 371 F HA -0.016 4.508 4.527 -0.006 0.000 0.298 371 F C 2.372 177.936 175.800 -0.394 0.000 1.105 371 F CA 1.671 59.517 58.000 -0.257 0.000 1.239 371 F CB -0.776 38.098 39.000 -0.210 0.000 0.991 371 F HN 0.212 nan 8.300 nan 0.000 0.474 372 G N 0.636 109.313 108.800 -0.205 0.000 2.446 372 G HA2 -0.295 3.661 3.960 -0.008 0.000 0.217 372 G HA3 -0.295 3.661 3.960 -0.008 0.000 0.217 372 G C 1.666 176.381 174.900 -0.309 0.000 1.168 372 G CA 1.223 46.094 45.100 -0.381 0.000 0.771 372 G HN 0.393 nan 8.290 nan 0.000 0.551 373 M N 0.023 119.523 119.600 -0.167 0.000 2.073 373 M HA -0.129 4.346 4.480 -0.008 0.000 0.258 373 M C 2.721 178.884 176.300 -0.228 0.000 1.070 373 M CA 1.384 56.602 55.300 -0.137 0.000 1.103 373 M CB -0.771 31.780 32.600 -0.083 0.000 1.321 373 M HN 0.122 nan 8.290 nan 0.000 0.405 374 V N 0.719 120.444 119.914 -0.315 0.000 2.287 374 V HA -0.297 3.818 4.120 -0.008 0.000 0.248 374 V C 2.736 178.579 176.094 -0.418 0.000 1.053 374 V CA 2.105 64.187 62.300 -0.363 0.000 1.027 374 V CB -1.513 30.051 31.823 -0.431 0.000 0.646 374 V HN 0.561 nan 8.190 nan 0.000 0.447 375 A N -0.165 122.306 122.820 -0.583 0.000 1.883 375 A HA -0.196 4.119 4.320 -0.008 0.000 0.217 375 A C 2.431 179.945 177.584 -0.117 0.000 1.186 375 A CA 2.295 54.088 52.037 -0.406 0.000 0.624 375 A CB -0.845 17.634 19.000 -0.867 0.000 0.822 375 A HN 0.332 nan 8.150 nan 0.000 0.444 376 V N 1.081 120.903 119.914 -0.153 0.000 2.252 376 V HA -0.357 3.758 4.120 -0.008 0.000 0.249 376 V C 2.634 178.660 176.094 -0.112 0.000 1.056 376 V CA 2.681 64.949 62.300 -0.053 0.000 1.022 376 V CB -1.033 30.765 31.823 -0.042 0.000 0.641 376 V HN 0.955 nan 8.190 nan 0.000 0.445 377 E N 0.149 120.242 120.200 -0.178 0.000 2.208 377 E HA -0.150 4.195 4.350 -0.008 0.000 0.193 377 E C 1.976 178.384 176.600 -0.319 0.000 0.988 377 E CA 1.297 57.575 56.400 -0.204 0.000 0.828 377 E CB -0.368 29.223 29.700 -0.182 0.000 0.763 377 E HN 0.580 nan 8.360 nan 0.000 0.478 378 L N -0.524 120.399 121.223 -0.499 0.000 2.270 378 L HA 0.122 4.458 4.340 -0.008 0.000 0.210 378 L C 0.299 176.403 176.870 -1.276 0.000 1.104 378 L CA 0.342 54.611 54.840 -0.951 0.000 0.804 378 L CB 0.099 41.359 42.059 -1.332 0.000 0.937 378 L HN 0.100 nan 8.230 nan 0.000 0.450 379 F N -0.567 119.277 119.950 -0.177 0.000 2.710 379 F HA 0.316 4.840 4.527 -0.006 0.000 0.345 379 F C -1.709 173.992 175.800 -0.166 0.000 1.362 379 F CA -1.717 56.128 58.000 -0.257 0.000 1.175 379 F CB 0.358 39.102 39.000 -0.425 0.000 1.561 379 F HN -0.208 nan 8.300 nan 0.000 0.593 380 P HA -0.223 nan 4.420 nan 0.000 0.220 380 P C 1.324 178.545 177.300 -0.130 0.000 1.148 380 P CA 1.344 64.381 63.100 -0.106 0.000 0.803 380 P CB 0.282 31.903 31.700 -0.132 0.000 0.782 381 Q N -0.446 119.339 119.800 -0.026 0.000 2.364 381 Q HA -0.160 4.176 4.340 -0.008 0.000 0.207 381 Q C 1.584 177.876 176.000 0.486 0.000 0.970 381 Q CA 1.328 57.214 55.803 0.138 0.000 0.888 381 Q CB -1.295 27.504 28.738 0.101 0.000 0.951 381 Q HN 0.446 nan 8.270 nan 0.000 0.469 382 Y N 0.104 120.592 120.300 0.314 0.000 2.511 382 Y HA 0.006 4.551 4.550 -0.008 0.000 0.279 382 Y C -0.055 176.079 175.900 0.390 0.000 1.157 382 Y CA -0.190 58.112 58.100 0.337 0.000 1.300 382 Y CB 0.073 38.696 38.460 0.271 0.000 1.052 382 Y HN 0.284 nan 8.280 nan 0.000 0.529 383 H N -0.472 118.760 119.070 0.271 0.000 2.690 383 H HA -0.190 4.363 4.556 -0.006 0.000 0.309 383 H C 0.003 175.446 175.328 0.190 0.000 1.138 383 H CA 0.213 56.370 56.048 0.181 0.000 1.142 383 H CB -2.271 27.576 29.762 0.140 0.000 1.410 383 H HN 0.272 nan 8.280 nan 0.000 0.409 384 L N -0.042 121.372 121.223 0.318 0.000 2.473 384 L HA 0.148 4.483 4.340 -0.008 0.000 0.265 384 L C 1.086 178.098 176.870 0.238 0.000 1.243 384 L CA 0.614 55.648 54.840 0.323 0.000 0.822 384 L CB 0.391 42.689 42.059 0.398 0.000 1.101 384 L HN 0.429 nan 8.230 nan 0.000 0.507 385 E N -0.235 120.121 120.200 0.261 0.000 2.343 385 E HA 0.304 4.649 4.350 -0.008 0.000 0.260 385 E C 0.242 177.001 176.600 0.265 0.000 0.908 385 E CA -0.289 56.227 56.400 0.192 0.000 0.814 385 E CB 1.669 31.453 29.700 0.140 0.000 1.302 385 E HN 0.676 nan 8.360 nan 0.000 0.408 386 A N 3.586 126.542 122.820 0.227 0.000 2.067 386 A HA -0.255 4.060 4.320 -0.008 0.000 0.224 386 A C 1.864 179.629 177.584 0.302 0.000 1.172 386 A CA 2.292 54.488 52.037 0.266 0.000 0.662 386 A CB -0.817 18.258 19.000 0.125 0.000 0.814 386 A HN 0.755 nan 8.150 nan 0.000 0.468 387 G N -0.808 108.110 108.800 0.197 0.000 2.432 387 G HA2 -0.202 3.753 3.960 -0.008 0.000 0.219 387 G HA3 -0.202 3.753 3.960 -0.008 0.000 0.219 387 G C 1.688 176.661 174.900 0.122 0.000 1.135 387 G CA 1.997 47.183 45.100 0.143 0.000 0.767 387 G HN 0.802 nan 8.290 nan 0.000 0.550 388 T N -1.457 113.160 114.554 0.106 0.000 2.867 388 T HA -0.023 4.322 4.350 -0.008 0.000 0.268 388 T C 2.049 176.726 174.700 -0.039 0.000 1.057 388 T CA 0.929 63.017 62.100 -0.019 0.000 1.136 388 T CB -0.428 68.382 68.868 -0.095 0.000 0.874 388 T HN 0.176 nan 8.240 nan 0.000 0.466 389 F N 1.889 121.944 119.950 0.175 0.000 2.367 389 F HA 0.404 4.927 4.527 -0.007 0.000 0.298 389 F C 2.877 178.742 175.800 0.109 0.000 1.094 389 F CA 0.346 58.419 58.000 0.122 0.000 1.409 389 F CB -0.669 38.391 39.000 0.100 0.000 1.064 389 F HN 0.257 nan 8.300 nan 0.000 0.528 390 A N 0.449 123.422 122.820 0.255 0.000 1.873 390 A HA -0.120 4.196 4.320 -0.008 0.000 0.215 390 A C 2.237 179.879 177.584 0.097 0.000 1.186 390 A CA 1.434 53.577 52.037 0.177 0.000 0.616 390 A CB -0.963 18.129 19.000 0.154 0.000 0.823 390 A HN 0.367 nan 8.150 nan 0.000 0.442 391 I N -0.380 120.223 120.570 0.056 0.000 2.315 391 I HA -0.239 3.926 4.170 -0.008 0.000 0.248 391 I C 2.920 179.005 176.117 -0.054 0.000 1.117 391 I CA 0.910 62.204 61.300 -0.010 0.000 1.404 391 I CB -0.238 37.743 38.000 -0.032 0.000 1.071 391 I HN 0.369 nan 8.210 nan 0.000 0.419 392 A N 0.524 123.329 122.820 -0.024 0.000 1.972 392 A HA -0.122 4.194 4.320 -0.008 0.000 0.219 392 A C 2.308 179.796 177.584 -0.160 0.000 1.169 392 A CA 1.895 53.900 52.037 -0.054 0.000 0.635 392 A CB -1.104 17.976 19.000 0.133 0.000 0.810 392 A HN 0.472 nan 8.150 nan 0.000 0.446 393 G N -1.453 107.279 108.800 -0.113 0.000 2.683 393 G HA2 0.048 4.003 3.960 -0.008 0.000 0.213 393 G HA3 0.048 4.003 3.960 -0.008 0.000 0.213 393 G C 1.422 176.126 174.900 -0.327 0.000 1.142 393 G CA 0.668 45.567 45.100 -0.335 0.000 0.793 393 G HN 0.465 nan 8.290 nan 0.000 0.534 394 M N 1.013 120.527 119.600 -0.143 0.000 2.144 394 M HA -0.022 4.454 4.480 -0.008 0.000 0.260 394 M C 2.076 178.254 176.300 -0.204 0.000 1.067 394 M CA 2.008 57.244 55.300 -0.106 0.000 1.095 394 M CB -0.021 32.537 32.600 -0.070 0.000 1.365 394 M HN 0.173 nan 8.290 nan 0.000 0.406 395 G N -1.813 106.816 108.800 -0.285 0.000 3.192 395 G HA2 0.373 4.328 3.960 -0.008 0.000 0.239 395 G HA3 0.373 4.328 3.960 -0.008 0.000 0.239 395 G C 1.189 175.853 174.900 -0.394 0.000 1.084 395 G CA 0.407 45.320 45.100 -0.312 0.000 0.784 395 G HN 0.556 nan 8.290 nan 0.000 0.540 396 A N 0.566 123.010 122.820 -0.626 0.000 1.969 396 A HA 0.134 4.449 4.320 -0.008 0.000 0.218 396 A C 2.107 179.354 177.584 -0.562 0.000 1.169 396 A CA 0.770 52.299 52.037 -0.846 0.000 0.635 396 A CB -0.238 17.700 19.000 -1.769 0.000 0.810 396 A HN 0.354 nan 8.150 nan 0.000 0.445 397 L N -0.501 120.505 121.223 -0.361 0.000 2.156 397 L HA 0.008 4.343 4.340 -0.008 0.000 0.208 397 L C 2.131 178.908 176.870 -0.155 0.000 1.095 397 L CA 1.206 56.066 54.840 0.033 0.000 0.770 397 L CB -0.453 41.684 42.059 0.130 0.000 0.914 397 L HN 0.415 nan 8.230 nan 0.000 0.439 398 L N -0.442 120.616 121.223 -0.275 0.000 2.275 398 L HA -0.126 4.210 4.340 -0.008 0.000 0.215 398 L C 2.621 179.368 176.870 -0.206 0.000 1.119 398 L CA 0.823 55.464 54.840 -0.332 0.000 0.790 398 L CB -0.447 41.319 42.059 -0.488 0.000 0.919 398 L HN 0.265 nan 8.230 nan 0.000 0.443 399 A N -0.436 122.271 122.820 -0.188 0.000 1.935 399 A HA 0.078 4.394 4.320 -0.008 0.000 0.214 399 A C 2.384 179.914 177.584 -0.091 0.000 1.178 399 A CA 1.199 53.155 52.037 -0.134 0.000 0.640 399 A CB -0.288 18.614 19.000 -0.164 0.000 0.825 399 A HN 0.340 nan 8.150 nan 0.000 0.447 400 A N -1.330 121.452 122.820 -0.064 0.000 2.030 400 A HA 0.205 4.520 4.320 -0.008 0.000 0.215 400 A C 2.257 179.812 177.584 -0.048 0.000 1.164 400 A CA 1.600 53.623 52.037 -0.024 0.000 0.697 400 A CB -0.253 18.788 19.000 0.069 0.000 0.827 400 A HN 0.379 nan 8.150 nan 0.000 0.457 401 S N -0.676 114.983 115.700 -0.069 0.000 2.444 401 S HA 0.207 4.672 4.470 -0.008 0.000 0.223 401 S C 1.704 176.236 174.600 -0.114 0.000 1.054 401 S CA 0.544 58.698 58.200 -0.076 0.000 0.947 401 S CB -0.213 62.959 63.200 -0.047 0.000 0.850 401 S HN 0.458 nan 8.310 nan 0.000 0.527 402 I N 1.014 121.490 120.570 -0.157 0.000 2.617 402 I HA 0.037 4.203 4.170 -0.008 0.000 0.256 402 I C 0.364 176.455 176.117 -0.043 0.000 1.167 402 I CA 0.505 61.704 61.300 -0.169 0.000 1.469 402 I CB 0.034 37.941 38.000 -0.154 0.000 1.098 402 I HN 0.171 nan 8.210 nan 0.000 0.436 403 R N -0.106 120.366 120.500 -0.048 0.000 3.776 403 R HA -0.154 4.182 4.340 -0.008 0.000 0.312 403 R C 0.120 176.423 176.300 0.006 0.000 1.181 403 R CA 0.794 56.876 56.100 -0.030 0.000 0.836 403 R CB -2.747 27.537 30.300 -0.027 0.000 1.324 403 R HN 0.387 nan 8.270 nan 0.000 0.501 404 A N 0.598 123.444 122.820 0.042 0.000 3.215 404 A HA 0.453 4.768 4.320 -0.008 0.000 0.320 404 A C -0.810 176.805 177.584 0.051 0.000 1.084 404 A CA -1.030 51.069 52.037 0.103 0.000 0.969 404 A CB 0.565 19.739 19.000 0.290 0.000 1.064 404 A HN -0.016 nan 8.150 nan 0.000 0.513 405 P HA -0.219 nan 4.420 nan 0.000 0.214 405 P C 1.634 178.918 177.300 -0.027 0.000 1.163 405 P CA 0.834 63.907 63.100 -0.045 0.000 0.883 405 P CB 0.213 31.877 31.700 -0.059 0.000 0.788 406 L N 0.021 121.242 121.223 -0.003 0.000 2.043 406 L HA -0.145 4.190 4.340 -0.008 0.000 0.212 406 L C 2.381 179.266 176.870 0.026 0.000 1.075 406 L CA 2.373 57.217 54.840 0.007 0.000 0.752 406 L CB -1.769 40.301 42.059 0.018 0.000 0.891 406 L HN -0.031 nan 8.230 nan 0.000 0.432 407 T N -0.942 113.657 114.554 0.075 0.000 2.867 407 T HA -0.081 4.265 4.350 -0.008 0.000 0.268 407 T C 1.652 176.378 174.700 0.044 0.000 1.057 407 T CA 1.103 63.270 62.100 0.111 0.000 1.136 407 T CB -0.729 68.307 68.868 0.279 0.000 0.874 407 T HN 0.598 nan 8.240 nan 0.000 0.466 408 G N 1.613 110.412 108.800 -0.001 0.000 2.404 408 G HA2 -0.078 3.877 3.960 -0.008 0.000 0.214 408 G HA3 -0.078 3.877 3.960 -0.008 0.000 0.214 408 G C 1.521 176.357 174.900 -0.107 0.000 1.189 408 G CA 0.284 45.328 45.100 -0.094 0.000 0.789 408 G HN 0.432 nan 8.290 nan 0.000 0.533 409 I N 0.710 121.226 120.570 -0.091 0.000 2.151 409 I HA -0.191 3.975 4.170 -0.008 0.000 0.243 409 I C 2.738 178.817 176.117 -0.064 0.000 1.080 409 I CA 1.291 62.537 61.300 -0.091 0.000 1.339 409 I CB -0.464 37.491 38.000 -0.076 0.000 1.039 409 I HN 0.163 nan 8.210 nan 0.000 0.409 410 I N 0.141 120.689 120.570 -0.038 0.000 2.439 410 I HA -0.269 3.897 4.170 -0.008 0.000 0.251 410 I C 2.514 178.603 176.117 -0.047 0.000 1.139 410 I CA 0.805 62.091 61.300 -0.023 0.000 1.438 410 I CB -0.156 37.841 38.000 -0.005 0.000 1.085 410 I HN 0.200 nan 8.210 nan 0.000 0.427 411 L N 0.291 121.472 121.223 -0.070 0.000 2.005 411 L HA -0.149 4.186 4.340 -0.008 0.000 0.207 411 L C 2.432 179.220 176.870 -0.138 0.000 1.072 411 L CA 1.779 56.548 54.840 -0.118 0.000 0.744 411 L CB -0.464 41.497 42.059 -0.164 0.000 0.895 411 L HN -0.050 nan 8.230 nan 0.000 0.433 412 V N -0.387 119.446 119.914 -0.137 0.000 2.252 412 V HA -0.322 3.794 4.120 -0.008 0.000 0.249 412 V C 2.550 178.592 176.094 -0.087 0.000 1.056 412 V CA 1.951 64.175 62.300 -0.126 0.000 1.022 412 V CB -0.766 30.980 31.823 -0.129 0.000 0.641 412 V HN 0.509 nan 8.190 nan 0.000 0.445 413 L N 0.425 121.610 121.223 -0.063 0.000 1.997 413 L HA -0.252 4.083 4.340 -0.008 0.000 0.216 413 L C 2.469 179.326 176.870 -0.021 0.000 1.074 413 L CA 2.138 56.964 54.840 -0.022 0.000 0.763 413 L CB -0.860 41.211 42.059 0.019 0.000 0.890 413 L HN 0.434 nan 8.230 nan 0.000 0.434 414 E N -1.482 118.697 120.200 -0.035 0.000 2.265 414 E HA -0.209 4.137 4.350 -0.008 0.000 0.196 414 E C 2.036 178.610 176.600 -0.043 0.000 0.996 414 E CA 1.238 57.617 56.400 -0.034 0.000 0.832 414 E CB -0.133 29.542 29.700 -0.042 0.000 0.756 414 E HN 0.592 nan 8.360 nan 0.000 0.491 415 M N -0.485 119.075 119.600 -0.066 0.000 2.545 415 M HA -0.011 4.464 4.480 -0.008 0.000 0.264 415 M C 2.067 178.329 176.300 -0.064 0.000 1.155 415 M CA 1.062 56.314 55.300 -0.080 0.000 1.162 415 M CB 0.441 32.962 32.600 -0.132 0.000 1.330 415 M HN 0.076 nan 8.290 nan 0.000 0.479 416 T N -4.391 110.131 114.554 -0.054 0.000 3.023 416 T HA 0.060 4.405 4.350 -0.008 0.000 0.253 416 T C 0.484 175.171 174.700 -0.020 0.000 1.038 416 T CA -0.087 61.990 62.100 -0.038 0.000 0.962 416 T CB -0.056 68.786 68.868 -0.043 0.000 1.018 416 T HN 0.260 nan 8.240 nan 0.000 0.521 417 D N 2.279 122.673 120.400 -0.011 0.000 2.755 417 D HA -0.191 4.445 4.640 -0.008 0.000 0.227 417 D C -0.619 175.692 176.300 0.017 0.000 1.211 417 D CA 0.489 54.495 54.000 0.010 0.000 0.663 417 D CB -1.778 39.027 40.800 0.009 0.000 0.983 417 D HN 0.605 nan 8.370 nan 0.000 0.407 418 N N 1.107 119.813 118.700 0.009 0.000 2.679 418 N HA -0.014 4.721 4.740 -0.008 0.000 0.302 418 N C 0.508 176.000 175.510 -0.028 0.000 1.941 418 N CA -0.442 52.602 53.050 -0.010 0.000 0.875 418 N CB 0.165 38.627 38.487 -0.042 0.000 1.278 418 N HN 0.270 nan 8.380 nan 0.000 0.490 419 Y N 2.277 122.541 120.300 -0.060 0.000 2.348 419 Y HA -0.282 4.264 4.550 -0.007 0.000 0.285 419 Y C 1.927 177.779 175.900 -0.079 0.000 1.173 419 Y CA 1.998 60.058 58.100 -0.067 0.000 1.263 419 Y CB 0.282 38.711 38.460 -0.051 0.000 0.974 419 Y HN 0.323 nan 8.280 nan 0.000 0.547 420 Q N -0.280 119.391 119.800 -0.214 0.000 2.488 420 Q HA 0.009 4.345 4.340 -0.008 0.000 0.211 420 Q C 1.290 177.090 176.000 -0.333 0.000 0.967 420 Q CA 1.228 56.872 55.803 -0.266 0.000 0.926 420 Q CB -0.627 28.044 28.738 -0.111 0.000 0.992 420 Q HN 0.541 nan 8.270 nan 0.000 0.506 421 L N -0.366 120.655 121.223 -0.337 0.000 2.628 421 L HA 0.167 4.502 4.340 -0.008 0.000 0.229 421 L C 1.249 177.871 176.870 -0.413 0.000 1.137 421 L CA -0.272 54.354 54.840 -0.357 0.000 0.909 421 L CB -0.049 41.847 42.059 -0.271 0.000 1.137 421 L HN 0.192 nan 8.230 nan 0.000 0.470 422 I N 0.279 120.542 120.570 -0.512 0.000 2.151 422 I HA -0.337 3.829 4.170 -0.008 0.000 0.243 422 I C 2.175 178.084 176.117 -0.346 0.000 1.080 422 I CA 1.777 62.792 61.300 -0.475 0.000 1.339 422 I CB 0.005 37.541 38.000 -0.772 0.000 1.039 422 I HN 0.150 nan 8.210 nan 0.000 0.409 423 L N 0.553 121.567 121.223 -0.348 0.000 1.970 423 L HA -0.139 4.196 4.340 -0.008 0.000 0.212 423 L C -0.330 176.337 176.870 -0.338 0.000 1.071 423 L CA 2.472 57.144 54.840 -0.279 0.000 0.751 423 L CB -2.129 39.779 42.059 -0.251 0.000 0.889 423 L HN 0.160 nan 8.230 nan 0.000 0.432 424 P HA -0.191 nan 4.420 nan 0.000 0.216 424 P C 2.043 179.094 177.300 -0.415 0.000 1.153 424 P CA 1.628 64.247 63.100 -0.802 0.000 0.858 424 P CB -0.068 30.688 31.700 -1.573 0.000 0.789 425 M N -1.879 117.515 119.600 -0.344 0.000 2.117 425 M HA -0.142 4.333 4.480 -0.008 0.000 0.262 425 M C 2.103 178.295 176.300 -0.181 0.000 1.065 425 M CA 1.810 56.974 55.300 -0.227 0.000 1.114 425 M CB -0.794 31.680 32.600 -0.211 0.000 1.361 425 M HN -0.070 nan 8.290 nan 0.000 0.408 426 I N 0.098 120.564 120.570 -0.174 0.000 2.286 426 I HA -0.258 3.908 4.170 -0.008 0.000 0.245 426 I C 2.245 178.299 176.117 -0.105 0.000 1.104 426 I CA 1.157 62.382 61.300 -0.125 0.000 1.397 426 I CB -0.276 37.659 38.000 -0.109 0.000 1.072 426 I HN 0.237 nan 8.210 nan 0.000 0.417 427 I N 0.226 120.730 120.570 -0.110 0.000 2.286 427 I HA -0.269 3.896 4.170 -0.008 0.000 0.248 427 I C 2.514 178.607 176.117 -0.039 0.000 1.115 427 I CA 1.454 62.719 61.300 -0.059 0.000 1.392 427 I CB -0.529 37.445 38.000 -0.044 0.000 1.065 427 I HN 0.236 nan 8.210 nan 0.000 0.418 428 T N 0.305 114.825 114.554 -0.056 0.000 2.732 428 T HA -0.070 4.275 4.350 -0.008 0.000 0.261 428 T C 1.904 176.530 174.700 -0.124 0.000 1.040 428 T CA 1.505 63.563 62.100 -0.069 0.000 1.145 428 T CB -0.586 68.232 68.868 -0.082 0.000 0.866 428 T HN 0.543 nan 8.240 nan 0.000 0.427 429 G N 0.995 109.698 108.800 -0.161 0.000 2.432 429 G HA2 -0.139 3.816 3.960 -0.008 0.000 0.219 429 G HA3 -0.139 3.816 3.960 -0.008 0.000 0.219 429 G C 1.517 176.352 174.900 -0.108 0.000 1.135 429 G CA 0.631 45.631 45.100 -0.167 0.000 0.767 429 G HN 0.384 nan 8.290 nan 0.000 0.550 430 L N 1.099 122.273 121.223 -0.081 0.000 2.095 430 L HA 0.280 4.616 4.340 -0.008 0.000 0.204 430 L C 2.847 179.690 176.870 -0.045 0.000 1.080 430 L CA 1.883 56.687 54.840 -0.060 0.000 0.759 430 L CB -0.784 41.249 42.059 -0.044 0.000 0.914 430 L HN 0.152 nan 8.230 nan 0.000 0.439 431 G N -0.929 107.856 108.800 -0.026 0.000 2.440 431 G HA2 -0.283 3.673 3.960 -0.008 0.000 0.218 431 G HA3 -0.283 3.673 3.960 -0.008 0.000 0.218 431 G C 1.605 176.504 174.900 -0.001 0.000 1.154 431 G CA 0.830 45.933 45.100 0.005 0.000 0.767 431 G HN 0.580 nan 8.290 nan 0.000 0.552 432 A N 0.448 123.258 122.820 -0.016 0.000 1.858 432 A HA -0.036 4.279 4.320 -0.008 0.000 0.216 432 A C 2.524 180.085 177.584 -0.038 0.000 1.190 432 A CA 2.507 54.547 52.037 0.005 0.000 0.617 432 A CB -1.049 17.939 19.000 -0.020 0.000 0.827 432 A HN 0.293 nan 8.150 nan 0.000 0.443 433 T N 0.298 114.807 114.554 -0.075 0.000 2.929 433 T HA -0.006 4.340 4.350 -0.008 0.000 0.271 433 T C 1.708 176.301 174.700 -0.178 0.000 1.085 433 T CA 1.157 63.193 62.100 -0.107 0.000 1.125 433 T CB -0.247 68.562 68.868 -0.099 0.000 0.874 433 T HN 0.330 nan 8.240 nan 0.000 0.494 434 L N 0.106 121.223 121.223 -0.177 0.000 2.095 434 L HA 0.078 4.413 4.340 -0.008 0.000 0.204 434 L C 2.326 178.987 176.870 -0.349 0.000 1.080 434 L CA 0.683 55.326 54.840 -0.328 0.000 0.759 434 L CB -0.280 41.702 42.059 -0.128 0.000 0.914 434 L HN 0.226 nan 8.230 nan 0.000 0.439 435 L N -0.383 120.793 121.223 -0.079 0.000 2.217 435 L HA -0.061 4.274 4.340 -0.008 0.000 0.211 435 L C 2.659 179.528 176.870 -0.003 0.000 1.107 435 L CA 1.412 56.275 54.840 0.038 0.000 0.783 435 L CB -1.124 40.983 42.059 0.081 0.000 0.919 435 L HN 0.196 nan 8.230 nan 0.000 0.442 436 A N -1.095 121.690 122.820 -0.060 0.000 2.014 436 A HA -0.194 4.121 4.320 -0.008 0.000 0.218 436 A C 2.234 179.769 177.584 -0.083 0.000 1.163 436 A CA 0.996 53.000 52.037 -0.054 0.000 0.652 436 A CB -0.245 18.721 19.000 -0.057 0.000 0.808 436 A HN 0.449 nan 8.150 nan 0.000 0.449 437 Q N -1.283 118.401 119.800 -0.192 0.000 2.062 437 Q HA -0.071 4.264 4.340 -0.008 0.000 0.196 437 Q C 0.839 176.787 176.000 -0.086 0.000 0.967 437 Q CA 1.117 56.784 55.803 -0.227 0.000 0.832 437 Q CB -0.091 28.369 28.738 -0.465 0.000 0.899 437 Q HN 0.595 nan 8.270 nan 0.000 0.442 438 F N 0.415 120.374 119.950 0.016 0.000 2.816 438 F HA 0.035 4.557 4.527 -0.008 0.000 0.302 438 F C 1.557 177.366 175.800 0.015 0.000 1.178 438 F CA 0.988 58.998 58.000 0.017 0.000 1.421 438 F CB -0.126 38.886 39.000 0.020 0.000 1.114 438 F HN 0.124 nan 8.300 nan 0.000 0.573 439 T N -4.713 109.931 114.554 0.151 0.000 3.145 439 T HA 0.482 4.827 4.350 -0.008 0.000 0.281 439 T C 1.518 176.251 174.700 0.054 0.000 1.003 439 T CA 0.250 62.406 62.100 0.093 0.000 0.901 439 T CB 0.295 69.201 68.868 0.063 0.000 1.112 439 T HN 0.316 nan 8.240 nan 0.000 0.535 440 G N 0.804 109.639 108.800 0.059 0.000 2.179 440 G HA2 -0.098 3.857 3.960 -0.008 0.000 0.260 440 G HA3 -0.098 3.857 3.960 -0.008 0.000 0.260 440 G C 0.579 175.485 174.900 0.009 0.000 0.977 440 G CA -0.191 44.931 45.100 0.037 0.000 0.641 440 G HN 1.063 nan 8.290 nan 0.000 0.533 441 G N -0.337 108.457 108.800 -0.009 0.000 2.664 441 G HA2 0.491 4.447 3.960 -0.008 0.000 0.242 441 G HA3 0.491 4.447 3.960 -0.008 0.000 0.242 441 G C 0.001 174.890 174.900 -0.019 0.000 1.225 441 G CA 0.257 45.339 45.100 -0.030 0.000 0.849 441 G HN 0.538 nan 8.290 nan 0.000 0.581 442 K N 1.011 121.400 120.400 -0.018 0.000 2.435 442 K HA 0.322 4.637 4.320 -0.008 0.000 0.251 442 K C -2.785 173.814 176.600 -0.002 0.000 0.954 442 K CA -1.823 54.465 56.287 0.002 0.000 0.820 442 K CB 2.687 35.199 32.500 0.020 0.000 1.292 442 K HN 0.122 nan 8.250 nan 0.000 0.436 443 P HA -0.104 nan 4.420 nan 0.000 0.256 443 P C 0.876 178.187 177.300 0.019 0.000 1.189 443 P CA 0.118 63.227 63.100 0.015 0.000 0.808 443 P CB 0.220 31.950 31.700 0.050 0.000 0.793 444 L N 4.059 125.253 121.223 -0.048 0.000 2.151 444 L HA -0.248 4.087 4.340 -0.008 0.000 0.215 444 L C 1.209 178.099 176.870 0.033 0.000 1.084 444 L CA 2.267 57.075 54.840 -0.054 0.000 0.764 444 L CB -0.767 41.203 42.059 -0.150 0.000 0.891 444 L HN 0.443 nan 8.230 nan 0.000 0.435 445 Y N -0.744 119.621 120.300 0.109 0.000 2.314 445 Y HA -0.169 4.377 4.550 -0.008 0.000 0.293 445 Y C 2.801 178.752 175.900 0.085 0.000 1.129 445 Y CA 0.901 59.070 58.100 0.116 0.000 1.201 445 Y CB 0.049 38.577 38.460 0.113 0.000 0.999 445 Y HN 0.217 nan 8.280 nan 0.000 0.541 446 S N -0.048 115.785 115.700 0.222 0.000 2.357 446 S HA -0.169 4.296 4.470 -0.008 0.000 0.221 446 S C 2.307 176.983 174.600 0.126 0.000 1.031 446 S CA 0.873 59.168 58.200 0.158 0.000 0.982 446 S CB -0.519 62.768 63.200 0.144 0.000 0.853 446 S HN 0.503 nan 8.310 nan 0.000 0.458 447 A N 1.577 124.461 122.820 0.107 0.000 1.917 447 A HA -0.115 4.200 4.320 -0.008 0.000 0.219 447 A C 2.047 179.685 177.584 0.091 0.000 1.182 447 A CA 1.372 53.457 52.037 0.080 0.000 0.633 447 A CB -0.780 18.255 19.000 0.059 0.000 0.819 447 A HN 0.501 nan 8.150 nan 0.000 0.448 448 I N -1.187 119.462 120.570 0.131 0.000 2.252 448 I HA -0.193 3.973 4.170 -0.008 0.000 0.245 448 I C 2.417 178.597 176.117 0.105 0.000 1.102 448 I CA 1.090 62.473 61.300 0.137 0.000 1.385 448 I CB -0.249 37.886 38.000 0.225 0.000 1.064 448 I HN 0.383 nan 8.210 nan 0.000 0.414 449 L N 1.337 122.628 121.223 0.113 0.000 2.056 449 L HA -0.065 4.271 4.340 -0.008 0.000 0.207 449 L C 2.546 179.450 176.870 0.056 0.000 1.078 449 L CA 2.000 56.886 54.840 0.077 0.000 0.749 449 L CB -0.843 41.263 42.059 0.078 0.000 0.901 449 L HN 0.160 nan 8.230 nan 0.000 0.433 450 A N -0.542 122.314 122.820 0.061 0.000 2.024 450 A HA -0.177 4.139 4.320 -0.008 0.000 0.220 450 A C 2.331 179.932 177.584 0.029 0.000 1.164 450 A CA 1.427 53.487 52.037 0.040 0.000 0.643 450 A CB -0.446 18.579 19.000 0.042 0.000 0.806 450 A HN 0.464 nan 8.150 nan 0.000 0.451 451 R N -1.098 119.422 120.500 0.035 0.000 2.057 451 R HA -0.027 4.308 4.340 -0.008 0.000 0.224 451 R C 2.223 178.532 176.300 0.015 0.000 1.136 451 R CA 1.702 57.815 56.100 0.022 0.000 0.968 451 R CB -1.384 28.930 30.300 0.023 0.000 0.863 451 R HN 0.492 nan 8.270 nan 0.000 0.433 452 T N 2.467 117.033 114.554 0.021 0.000 2.759 452 T HA -0.126 4.220 4.350 -0.008 0.000 0.269 452 T C 1.815 176.522 174.700 0.012 0.000 1.042 452 T CA 1.034 63.142 62.100 0.014 0.000 1.140 452 T CB -0.198 68.681 68.868 0.018 0.000 0.864 452 T HN -0.035 nan 8.240 nan 0.000 0.455 453 L N 0.681 121.913 121.223 0.015 0.000 2.201 453 L HA 0.172 4.507 4.340 -0.008 0.000 0.212 453 L C 2.537 179.411 176.870 0.007 0.000 1.105 453 L CA 1.158 56.005 54.840 0.011 0.000 0.775 453 L CB -1.027 41.040 42.059 0.012 0.000 0.913 453 L HN 0.242 nan 8.230 nan 0.000 0.440 454 A N -1.153 121.671 122.820 0.007 0.000 1.874 454 A HA -0.128 4.188 4.320 -0.008 0.000 0.214 454 A C 2.207 179.793 177.584 0.004 0.000 1.189 454 A CA 0.949 52.989 52.037 0.004 0.000 0.615 454 A CB -0.294 18.708 19.000 0.004 0.000 0.830 454 A HN 0.316 nan 8.150 nan 0.000 0.443 455 K N -0.322 120.081 120.400 0.004 0.000 2.442 455 K HA -0.166 4.149 4.320 -0.008 0.000 0.198 455 K C 2.019 178.624 176.600 0.008 0.000 1.044 455 K CA 1.307 57.596 56.287 0.004 0.000 0.948 455 K CB -0.057 32.441 32.500 -0.003 0.000 0.762 455 K HN 0.685 nan 8.250 nan 0.000 0.472 456 Q N 0.579 120.384 119.800 0.008 0.000 2.389 456 Q HA -0.068 4.267 4.340 -0.008 0.000 0.204 456 Q C 1.169 177.175 176.000 0.009 0.000 0.944 456 Q CA 0.830 56.638 55.803 0.009 0.000 0.908 456 Q CB 0.457 29.200 28.738 0.008 0.000 1.002 456 Q HN 0.321 nan 8.270 nan 0.000 0.493 457 E N -0.511 119.693 120.200 0.007 0.000 2.121 457 E HA 0.081 4.427 4.350 -0.008 0.000 0.194 457 E C 1.890 178.494 176.600 0.007 0.000 0.940 457 E CA 0.487 56.891 56.400 0.006 0.000 0.884 457 E CB -0.118 29.584 29.700 0.004 0.000 0.874 457 E HN 0.320 nan 8.360 nan 0.000 0.471 458 A N 2.280 125.104 122.820 0.007 0.000 2.016 458 A HA -0.272 4.043 4.320 -0.008 0.000 0.225 458 A C 1.333 178.923 177.584 0.010 0.000 1.230 458 A CA 2.101 54.143 52.037 0.008 0.000 0.678 458 A CB -1.026 17.979 19.000 0.007 0.000 0.826 458 A HN 0.458 nan 8.150 nan 0.000 0.484 459 E N 0.008 120.216 120.200 0.013 0.000 2.028 459 E HA 0.450 4.796 4.350 -0.008 0.000 0.275 459 E C -0.233 176.375 176.600 0.013 0.000 1.171 459 E CA -0.384 56.026 56.400 0.015 0.000 1.186 459 E CB -0.022 29.691 29.700 0.020 0.000 1.256 459 E HN 0.679 nan 8.360 nan 0.000 0.474 460 Q N 0.000 119.807 119.800 0.011 0.000 2.315 460 Q HA 0.000 4.335 4.340 -0.008 0.000 0.214 460 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 460 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481