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 2hlf_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 QFTGGKPLES AILARTLAKQ EAEQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.290 176.300 -0.017 0.000 0.893 17 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 17 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 18 R N 1.732 122.224 120.500 -0.014 0.000 2.153 18 R HA -0.120 4.214 4.340 -0.009 0.000 0.252 18 R C 2.070 178.362 176.300 -0.013 0.000 1.158 18 R CA 2.408 58.500 56.100 -0.013 0.000 0.975 18 R CB -0.182 30.112 30.300 -0.010 0.000 0.871 18 R HN 0.337 nan 8.270 nan 0.000 0.450 19 R N 0.181 120.673 120.500 -0.012 0.000 2.115 19 R HA -0.121 4.213 4.340 -0.009 0.000 0.226 19 R C 2.428 178.719 176.300 -0.014 0.000 1.100 19 R CA 1.547 57.640 56.100 -0.011 0.000 0.980 19 R CB -0.099 30.196 30.300 -0.009 0.000 0.875 19 R HN 0.394 nan 8.270 nan 0.000 0.445 20 Q N 0.280 120.070 119.800 -0.017 0.000 2.016 20 Q HA -0.188 4.147 4.340 -0.009 0.000 0.200 20 Q C 2.010 177.995 176.000 -0.025 0.000 0.978 20 Q CA 1.449 57.239 55.803 -0.021 0.000 0.833 20 Q CB -0.131 28.592 28.738 -0.025 0.000 0.895 20 Q HN 0.314 nan 8.270 nan 0.000 0.427 21 L N 1.245 122.452 121.223 -0.027 0.000 1.990 21 L HA -0.223 4.112 4.340 -0.009 0.000 0.213 21 L C 2.207 179.064 176.870 -0.022 0.000 1.072 21 L CA 1.791 56.614 54.840 -0.028 0.000 0.755 21 L CB -0.624 41.420 42.059 -0.026 0.000 0.889 21 L HN 0.384 nan 8.230 nan 0.000 0.432 22 I N -0.926 119.634 120.570 -0.017 0.000 2.423 22 I HA -0.305 3.860 4.170 -0.009 0.000 0.254 22 I C 2.550 178.659 176.117 -0.013 0.000 1.151 22 I CA 1.169 62.461 61.300 -0.013 0.000 1.421 22 I CB -0.392 37.602 38.000 -0.011 0.000 1.079 22 I HN 0.338 nan 8.210 nan 0.000 0.431 23 R N 1.333 121.825 120.500 -0.015 0.000 2.075 23 R HA -0.119 4.215 4.340 -0.009 0.000 0.226 23 R C 2.075 178.367 176.300 -0.014 0.000 1.114 23 R CA 1.573 57.665 56.100 -0.013 0.000 0.972 23 R CB -0.456 29.836 30.300 -0.014 0.000 0.869 23 R HN 0.378 nan 8.270 nan 0.000 0.437 24 Q N 0.124 119.913 119.800 -0.019 0.000 2.016 24 Q HA -0.057 4.278 4.340 -0.009 0.000 0.200 24 Q C 2.220 178.212 176.000 -0.014 0.000 0.978 24 Q CA 1.669 57.460 55.803 -0.020 0.000 0.833 24 Q CB -0.231 28.486 28.738 -0.036 0.000 0.895 24 Q HN 0.283 nan 8.270 nan 0.000 0.427 25 L N 0.656 121.870 121.223 -0.015 0.000 1.997 25 L HA -0.271 4.063 4.340 -0.009 0.000 0.216 25 L C 2.329 179.194 176.870 -0.008 0.000 1.074 25 L CA 1.360 56.193 54.840 -0.011 0.000 0.763 25 L CB -0.692 41.360 42.059 -0.011 0.000 0.890 25 L HN 0.297 nan 8.230 nan 0.000 0.434 26 L N -0.805 120.412 121.223 -0.009 0.000 2.450 26 L HA -0.139 4.196 4.340 -0.009 0.000 0.224 26 L C 1.518 178.384 176.870 -0.006 0.000 1.149 26 L CA 0.647 55.482 54.840 -0.008 0.000 0.816 26 L CB -0.315 41.739 42.059 -0.008 0.000 0.932 26 L HN 0.261 nan 8.230 nan 0.000 0.449 27 E N -0.078 120.119 120.200 -0.005 0.000 2.651 27 E HA 0.140 4.484 4.350 -0.009 0.000 0.208 27 E C 0.132 176.733 176.600 0.003 0.000 0.997 27 E CA -0.091 56.308 56.400 -0.002 0.000 1.020 27 E CB 0.369 30.068 29.700 -0.002 0.000 1.052 27 E HN 0.304 nan 8.360 nan 0.000 0.465 28 R N 1.620 122.121 120.500 0.002 0.000 2.490 28 R HA 0.059 4.393 4.340 -0.009 0.000 0.278 28 R C -0.228 176.074 176.300 0.004 0.000 1.069 28 R CA 0.061 56.166 56.100 0.008 0.000 1.080 28 R CB 0.395 30.698 30.300 0.005 0.000 1.030 28 R HN -0.165 nan 8.270 nan 0.000 0.491 29 D N 2.169 122.574 120.400 0.010 0.000 2.718 29 D HA -0.143 4.492 4.640 -0.009 0.000 0.242 29 D C -1.455 174.844 176.300 -0.002 0.000 1.123 29 D CA 1.130 55.130 54.000 -0.000 0.000 0.690 29 D CB -0.547 40.244 40.800 -0.015 0.000 1.059 29 D HN 0.588 nan 8.370 nan 0.000 0.429 30 K N 0.916 121.320 120.400 0.007 0.000 2.621 30 K HA 0.350 4.664 4.320 -0.009 0.000 0.233 30 K C -0.658 175.949 176.600 0.012 0.000 0.972 30 K CA -0.611 55.679 56.287 0.005 0.000 0.988 30 K CB 1.464 33.967 32.500 0.004 0.000 1.187 30 K HN -0.013 nan 8.250 nan 0.000 0.471 31 T N 3.156 117.716 114.554 0.010 0.000 2.767 31 T HA 0.269 4.613 4.350 -0.009 0.000 0.284 31 T C -2.370 172.339 174.700 0.015 0.000 0.973 31 T CA -1.751 60.358 62.100 0.016 0.000 0.996 31 T CB 0.950 69.828 68.868 0.017 0.000 0.927 31 T HN 0.181 nan 8.240 nan 0.000 0.456 32 P HA 0.063 nan 4.420 nan 0.000 0.260 32 P C 1.100 178.411 177.300 0.019 0.000 1.185 32 P CA -0.172 62.936 63.100 0.013 0.000 0.763 32 P CB 0.397 32.106 31.700 0.014 0.000 0.776 33 L N 3.813 125.042 121.223 0.011 0.000 2.151 33 L HA -0.338 3.996 4.340 -0.009 0.000 0.215 33 L C 1.968 178.865 176.870 0.044 0.000 1.084 33 L CA 2.177 57.028 54.840 0.018 0.000 0.764 33 L CB -0.444 41.607 42.059 -0.013 0.000 0.891 33 L HN 0.445 nan 8.230 nan 0.000 0.435 34 A N 0.081 122.917 122.820 0.027 0.000 1.877 34 A HA -0.209 4.105 4.320 -0.009 0.000 0.216 34 A C 2.126 179.753 177.584 0.071 0.000 1.186 34 A CA 1.923 53.986 52.037 0.045 0.000 0.620 34 A CB -0.741 18.267 19.000 0.014 0.000 0.822 34 A HN 0.494 nan 8.150 nan 0.000 0.443 35 I N -0.052 120.546 120.570 0.047 0.000 2.091 35 I HA -0.322 3.843 4.170 -0.009 0.000 0.239 35 I C 2.496 178.642 176.117 0.048 0.000 1.061 35 I CA 1.604 62.930 61.300 0.042 0.000 1.317 35 I CB -0.568 37.452 38.000 0.034 0.000 1.031 35 I HN 0.333 nan 8.210 nan 0.000 0.401 36 L N -0.245 121.013 121.223 0.059 0.000 2.013 36 L HA -0.289 4.046 4.340 -0.009 0.000 0.212 36 L C 2.658 179.575 176.870 0.079 0.000 1.073 36 L CA 1.666 56.544 54.840 0.063 0.000 0.753 36 L CB -0.850 41.250 42.059 0.067 0.000 0.890 36 L HN 0.229 nan 8.230 nan 0.000 0.432 37 F N -0.048 119.878 119.950 -0.040 0.000 2.269 37 F HA -0.192 4.330 4.527 -0.009 0.000 0.301 37 F C 2.423 178.182 175.800 -0.068 0.000 1.082 37 F CA 1.219 59.184 58.000 -0.057 0.000 1.360 37 F CB -0.000 38.950 39.000 -0.084 0.000 1.041 37 F HN -0.001 nan 8.300 nan 0.000 0.512 38 M N -0.455 119.094 119.600 -0.085 0.000 2.334 38 M HA 0.091 4.566 4.480 -0.009 0.000 0.266 38 M C 2.504 178.726 176.300 -0.129 0.000 1.082 38 M CA 1.177 56.386 55.300 -0.152 0.000 1.141 38 M CB -1.634 30.948 32.600 -0.030 0.000 1.380 38 M HN 0.232 nan 8.290 nan 0.000 0.440 39 A N 0.509 123.285 122.820 -0.073 0.000 2.019 39 A HA 0.009 4.323 4.320 -0.009 0.000 0.219 39 A C 2.394 179.924 177.584 -0.090 0.000 1.164 39 A CA 1.883 53.890 52.037 -0.051 0.000 0.644 39 A CB -0.676 18.319 19.000 -0.008 0.000 0.805 39 A HN 0.453 nan 8.150 nan 0.000 0.449 40 A N -0.758 121.968 122.820 -0.157 0.000 1.873 40 A HA 0.013 4.327 4.320 -0.009 0.000 0.215 40 A C 2.305 179.754 177.584 -0.225 0.000 1.186 40 A CA 1.621 53.543 52.037 -0.192 0.000 0.616 40 A CB -1.097 17.744 19.000 -0.265 0.000 0.823 40 A HN 0.826 nan 8.150 nan 0.000 0.442 41 V N -0.210 119.510 119.914 -0.325 0.000 2.407 41 V HA -0.174 3.941 4.120 -0.009 0.000 0.248 41 V C 2.340 178.360 176.094 -0.124 0.000 1.055 41 V CA 2.241 64.401 62.300 -0.233 0.000 1.049 41 V CB -0.407 31.275 31.823 -0.236 0.000 0.662 41 V HN 0.310 nan 8.190 nan 0.000 0.455 42 V N 1.063 120.913 119.914 -0.106 0.000 2.214 42 V HA -0.169 3.945 4.120 -0.009 0.000 0.245 42 V C 2.801 178.849 176.094 -0.076 0.000 1.047 42 V CA 2.417 64.670 62.300 -0.078 0.000 0.998 42 V CB -1.719 30.067 31.823 -0.062 0.000 0.633 42 V HN 0.605 nan 8.190 nan 0.000 0.446 43 G N -0.649 108.110 108.800 -0.068 0.000 2.547 43 G HA2 -0.346 3.608 3.960 -0.009 0.000 0.221 43 G HA3 -0.346 3.608 3.960 -0.009 0.000 0.221 43 G C 1.631 176.500 174.900 -0.050 0.000 1.140 43 G CA 1.981 47.048 45.100 -0.055 0.000 0.760 43 G HN 0.500 nan 8.290 nan 0.000 0.583 44 T N 1.308 115.827 114.554 -0.058 0.000 2.595 44 T HA -0.092 4.253 4.350 -0.009 0.000 0.264 44 T C 2.427 177.099 174.700 -0.048 0.000 1.058 44 T CA 1.301 63.375 62.100 -0.043 0.000 1.166 44 T CB -0.356 68.479 68.868 -0.055 0.000 0.863 44 T HN 0.201 nan 8.240 nan 0.000 0.415 45 L N 0.693 121.877 121.223 -0.066 0.000 1.971 45 L HA -0.152 4.182 4.340 -0.009 0.000 0.215 45 L C 2.741 179.559 176.870 -0.087 0.000 1.072 45 L CA 1.191 55.982 54.840 -0.081 0.000 0.758 45 L CB -1.084 40.918 42.059 -0.095 0.000 0.889 45 L HN 0.121 nan 8.230 nan 0.000 0.433 46 V N 0.533 120.396 119.914 -0.084 0.000 2.250 46 V HA -0.349 3.766 4.120 -0.009 0.000 0.253 46 V C 2.604 178.655 176.094 -0.072 0.000 1.065 46 V CA 2.298 64.546 62.300 -0.086 0.000 1.039 46 V CB -1.470 30.305 31.823 -0.080 0.000 0.647 46 V HN 0.648 nan 8.190 nan 0.000 0.446 47 G N -0.412 108.359 108.800 -0.048 0.000 2.511 47 G HA2 -0.256 3.698 3.960 -0.009 0.000 0.216 47 G HA3 -0.256 3.698 3.960 -0.009 0.000 0.216 47 G C 1.510 176.387 174.900 -0.038 0.000 1.218 47 G CA 1.281 46.372 45.100 -0.015 0.000 0.788 47 G HN 0.476 nan 8.290 nan 0.000 0.560 48 L N 0.853 122.036 121.223 -0.067 0.000 2.051 48 L HA -0.224 4.110 4.340 -0.009 0.000 0.214 48 L C 3.419 180.213 176.870 -0.126 0.000 1.076 48 L CA 1.375 56.138 54.840 -0.129 0.000 0.758 48 L CB -0.655 41.340 42.059 -0.107 0.000 0.890 48 L HN 0.358 nan 8.230 nan 0.000 0.433 49 A N 0.195 122.952 122.820 -0.105 0.000 1.835 49 A HA -0.159 4.155 4.320 -0.009 0.000 0.215 49 A C 2.569 180.163 177.584 0.017 0.000 1.199 49 A CA 1.753 53.736 52.037 -0.090 0.000 0.615 49 A CB -1.037 17.879 19.000 -0.140 0.000 0.838 49 A HN 0.383 nan 8.150 nan 0.000 0.444 50 A N -0.929 121.885 122.820 -0.010 0.000 2.054 50 A HA -0.101 4.214 4.320 -0.009 0.000 0.223 50 A C 2.192 179.847 177.584 0.119 0.000 1.169 50 A CA 2.183 54.240 52.037 0.032 0.000 0.655 50 A CB -0.877 18.110 19.000 -0.021 0.000 0.812 50 A HN 0.433 nan 8.150 nan 0.000 0.462 51 V N -0.930 119.008 119.914 0.041 0.000 2.300 51 V HA -0.092 4.022 4.120 -0.009 0.000 0.241 51 V C 3.007 179.098 176.094 -0.005 0.000 1.034 51 V CA 1.635 63.922 62.300 -0.022 0.000 1.021 51 V CB -1.080 30.572 31.823 -0.286 0.000 0.662 51 V HN 0.603 nan 8.190 nan 0.000 0.458 52 A N -0.587 122.226 122.820 -0.011 0.000 1.986 52 A HA -0.271 4.043 4.320 -0.009 0.000 0.220 52 A C 2.079 179.761 177.584 0.164 0.000 1.171 52 A CA 2.266 54.334 52.037 0.052 0.000 0.640 52 A CB -0.683 18.355 19.000 0.063 0.000 0.811 52 A HN 0.576 nan 8.150 nan 0.000 0.451 53 F N 0.872 120.879 119.950 0.094 0.000 2.074 53 F HA -0.086 4.435 4.527 -0.009 0.000 0.293 53 F C 1.897 177.674 175.800 -0.038 0.000 1.116 53 F CA 1.938 59.931 58.000 -0.010 0.000 1.212 53 F CB -0.430 38.586 39.000 0.027 0.000 0.998 53 F HN 0.323 nan 8.300 nan 0.000 0.471 54 D N 0.155 120.667 120.400 0.186 0.000 2.228 54 D HA -0.199 4.436 4.640 -0.009 0.000 0.203 54 D C 1.913 178.197 176.300 -0.026 0.000 0.988 54 D CA 1.306 55.347 54.000 0.068 0.000 0.864 54 D CB -0.036 40.879 40.800 0.192 0.000 0.928 54 D HN 0.116 nan 8.370 nan 0.000 0.469 55 K N -0.309 120.082 120.400 -0.015 0.000 2.076 55 K HA 0.082 4.397 4.320 -0.009 0.000 0.204 55 K C 2.161 178.752 176.600 -0.015 0.000 1.051 55 K CA 1.025 57.309 56.287 -0.005 0.000 0.949 55 K CB -0.782 31.708 32.500 -0.016 0.000 0.726 55 K HN 0.257 nan 8.250 nan 0.000 0.443 56 G N 1.367 110.104 108.800 -0.105 0.000 2.434 56 G HA2 -0.197 3.758 3.960 -0.009 0.000 0.214 56 G HA3 -0.197 3.758 3.960 -0.009 0.000 0.214 56 G C 1.705 176.553 174.900 -0.086 0.000 1.202 56 G CA 1.028 46.064 45.100 -0.106 0.000 0.788 56 G HN 0.071 nan 8.290 nan 0.000 0.539 57 V N 1.970 121.685 119.914 -0.332 0.000 2.250 57 V HA -0.291 3.823 4.120 -0.009 0.000 0.253 57 V C 3.368 179.406 176.094 -0.093 0.000 1.065 57 V CA 2.487 64.607 62.300 -0.300 0.000 1.039 57 V CB -1.206 30.340 31.823 -0.460 0.000 0.647 57 V HN 0.511 nan 8.190 nan 0.000 0.446 58 A N -1.202 121.595 122.820 -0.038 0.000 1.877 58 A HA -0.295 4.019 4.320 -0.009 0.000 0.216 58 A C 1.943 179.576 177.584 0.081 0.000 1.186 58 A CA 2.069 54.124 52.037 0.030 0.000 0.620 58 A CB -1.000 18.032 19.000 0.053 0.000 0.822 58 A HN 0.740 nan 8.150 nan 0.000 0.443 59 W N 0.650 121.906 121.300 -0.073 0.000 2.338 59 W HA -0.194 4.461 4.660 -0.008 0.000 0.304 59 W C 1.798 178.283 176.519 -0.056 0.000 1.212 59 W CA 2.091 59.404 57.345 -0.054 0.000 1.264 59 W CB -0.290 29.137 29.460 -0.055 0.000 1.142 59 W HN 0.278 nan 8.180 nan 0.000 0.512 60 L N -0.112 121.145 121.223 0.056 0.000 2.027 60 L HA -0.232 4.103 4.340 -0.009 0.000 0.206 60 L C 2.590 179.355 176.870 -0.175 0.000 1.074 60 L CA 1.572 56.330 54.840 -0.136 0.000 0.745 60 L CB -1.214 40.836 42.059 -0.015 0.000 0.898 60 L HN -0.016 nan 8.230 nan 0.000 0.433 61 Q N -0.301 119.443 119.800 -0.094 0.000 2.376 61 Q HA -0.231 4.104 4.340 -0.009 0.000 0.211 61 Q C 1.801 177.745 176.000 -0.093 0.000 0.986 61 Q CA 1.473 57.234 55.803 -0.069 0.000 0.886 61 Q CB -0.318 28.403 28.738 -0.028 0.000 0.927 61 Q HN 0.568 nan 8.270 nan 0.000 0.457 62 N N -0.346 118.260 118.700 -0.156 0.000 2.176 62 N HA -0.153 4.582 4.740 -0.009 0.000 0.187 62 N C 1.649 177.008 175.510 -0.252 0.000 1.043 62 N CA 0.392 53.334 53.050 -0.180 0.000 0.851 62 N CB 0.239 38.600 38.487 -0.210 0.000 1.018 62 N HN 0.095 nan 8.380 nan 0.000 0.436 63 Q N 1.173 120.703 119.800 -0.451 0.000 2.118 63 Q HA -0.204 4.131 4.340 -0.009 0.000 0.211 63 Q C 2.084 177.941 176.000 -0.238 0.000 0.998 63 Q CA 1.473 57.011 55.803 -0.441 0.000 0.872 63 Q CB -0.656 27.683 28.738 -0.665 0.000 0.925 63 Q HN 0.451 nan 8.270 nan 0.000 0.414 64 R N -0.189 120.193 120.500 -0.196 0.000 2.117 64 R HA -0.090 4.245 4.340 -0.009 0.000 0.243 64 R C 2.184 178.443 176.300 -0.068 0.000 1.143 64 R CA 1.476 57.511 56.100 -0.109 0.000 0.968 64 R CB -0.289 29.963 30.300 -0.080 0.000 0.863 64 R HN 0.252 nan 8.270 nan 0.000 0.444 65 M N -0.506 119.056 119.600 -0.063 0.000 2.595 65 M HA 0.036 4.510 4.480 -0.009 0.000 0.248 65 M C 1.565 177.852 176.300 -0.022 0.000 1.119 65 M CA 0.784 56.076 55.300 -0.013 0.000 1.079 65 M CB 0.585 33.189 32.600 0.007 0.000 1.472 65 M HN 0.176 nan 8.290 nan 0.000 0.501 66 G N -1.066 107.696 108.800 -0.063 0.000 2.744 66 G HA2 0.118 4.073 3.960 -0.009 0.000 0.211 66 G HA3 0.118 4.073 3.960 -0.009 0.000 0.211 66 G C 1.334 176.213 174.900 -0.034 0.000 1.146 66 G CA 0.551 45.611 45.100 -0.067 0.000 0.787 66 G HN 0.515 nan 8.290 nan 0.000 0.534 67 A N 0.601 123.414 122.820 -0.011 0.000 1.975 67 A HA 0.299 4.613 4.320 -0.009 0.000 0.215 67 A C 2.185 179.792 177.584 0.038 0.000 1.170 67 A CA 0.386 52.452 52.037 0.048 0.000 0.656 67 A CB -0.214 18.786 19.000 0.001 0.000 0.821 67 A HN 0.299 nan 8.150 nan 0.000 0.449 68 L N -0.296 120.924 121.223 -0.005 0.000 2.362 68 L HA -0.085 4.249 4.340 -0.009 0.000 0.219 68 L C 2.084 178.973 176.870 0.030 0.000 1.134 68 L CA 0.527 55.349 54.840 -0.030 0.000 0.807 68 L CB -0.280 41.757 42.059 -0.038 0.000 0.927 68 L HN 0.244 nan 8.230 nan 0.000 0.447 69 V N -1.631 118.308 119.914 0.042 0.000 2.725 69 V HA -0.173 3.942 4.120 -0.009 0.000 0.247 69 V C 2.395 178.520 176.094 0.052 0.000 1.058 69 V CA 0.963 63.286 62.300 0.039 0.000 1.080 69 V CB -0.567 31.252 31.823 -0.007 0.000 0.713 69 V HN 0.399 nan 8.190 nan 0.000 0.465 70 H N 1.542 120.607 119.070 -0.008 0.000 2.387 70 H HA -0.090 4.460 4.556 -0.009 0.000 0.299 70 H C 1.805 177.126 175.328 -0.011 0.000 1.099 70 H CA 1.873 57.914 56.048 -0.011 0.000 1.315 70 H CB -0.024 29.725 29.762 -0.023 0.000 1.380 70 H HN 0.607 nan 8.280 nan 0.000 0.513 71 T N -3.004 111.623 114.554 0.121 0.000 3.393 71 T HA 0.592 4.936 4.350 -0.009 0.000 0.255 71 T C 1.283 176.003 174.700 0.033 0.000 1.008 71 T CA 0.115 62.243 62.100 0.046 0.000 1.053 71 T CB 0.210 69.073 68.868 -0.009 0.000 1.120 71 T HN 0.239 nan 8.240 nan 0.000 0.538 72 A N 1.635 124.494 122.820 0.066 0.000 2.119 72 A HA 0.048 4.362 4.320 -0.009 0.000 0.217 72 A C 1.849 179.500 177.584 0.111 0.000 1.153 72 A CA 1.075 53.167 52.037 0.091 0.000 0.692 72 A CB -0.262 18.797 19.000 0.098 0.000 0.799 72 A HN 0.778 nan 8.150 nan 0.000 0.458 73 D N 0.185 120.637 120.400 0.086 0.000 2.041 73 D HA -0.158 4.477 4.640 -0.009 0.000 0.263 73 D C 0.806 177.171 176.300 0.107 0.000 1.038 73 D CA 0.176 54.229 54.000 0.089 0.000 0.903 73 D CB -1.469 39.369 40.800 0.063 0.000 1.013 73 D HN 0.394 nan 8.370 nan 0.000 0.408 74 N N 0.346 119.092 118.700 0.077 0.000 2.102 74 N HA -0.231 4.504 4.740 -0.009 0.000 0.279 74 N C 0.668 176.243 175.510 0.108 0.000 1.369 74 N CA -0.177 52.920 53.050 0.079 0.000 1.045 74 N CB -0.301 38.208 38.487 0.036 0.000 1.470 74 N HN 0.225 nan 8.380 nan 0.000 0.481 75 Y N 5.037 125.348 120.300 0.019 0.000 2.062 75 Y HA -0.206 4.339 4.550 -0.008 0.000 0.276 75 Y C -1.055 174.840 175.900 -0.008 0.000 1.189 75 Y CA 1.884 60.000 58.100 0.027 0.000 1.130 75 Y CB -0.963 37.531 38.460 0.057 0.000 0.959 75 Y HN 0.596 nan 8.280 nan 0.000 0.499 76 P HA -0.170 nan 4.420 nan 0.000 0.218 76 P C 1.708 178.941 177.300 -0.112 0.000 1.149 76 P CA 1.547 64.608 63.100 -0.064 0.000 0.817 76 P CB -0.166 31.550 31.700 0.025 0.000 0.785 77 L N -0.457 120.721 121.223 -0.074 0.000 2.156 77 L HA -0.073 4.262 4.340 -0.009 0.000 0.208 77 L C 1.870 178.663 176.870 -0.130 0.000 1.095 77 L CA 1.654 56.446 54.840 -0.081 0.000 0.770 77 L CB -1.390 40.641 42.059 -0.046 0.000 0.914 77 L HN -0.078 nan 8.230 nan 0.000 0.439 78 L N -0.729 120.384 121.223 -0.183 0.000 2.023 78 L HA -0.119 4.215 4.340 -0.009 0.000 0.205 78 L C 2.299 178.932 176.870 -0.395 0.000 1.073 78 L CA 1.904 56.571 54.840 -0.288 0.000 0.745 78 L CB -1.174 40.691 42.059 -0.323 0.000 0.900 78 L HN 0.343 nan 8.230 nan 0.000 0.435 79 L N 0.335 121.275 121.223 -0.473 0.000 2.263 79 L HA -0.208 4.127 4.340 -0.009 0.000 0.216 79 L C 2.444 179.199 176.870 -0.191 0.000 1.111 79 L CA 1.498 56.097 54.840 -0.402 0.000 0.773 79 L CB -0.993 40.809 42.059 -0.427 0.000 0.906 79 L HN 0.396 nan 8.230 nan 0.000 0.439 80 T N -0.213 114.241 114.554 -0.167 0.000 2.706 80 T HA -0.115 4.230 4.350 -0.009 0.000 0.255 80 T C 1.917 176.599 174.700 -0.029 0.000 1.048 80 T CA 1.501 63.545 62.100 -0.093 0.000 1.153 80 T CB -0.272 68.535 68.868 -0.101 0.000 0.865 80 T HN 0.329 nan 8.240 nan 0.000 0.414 81 V N 0.981 120.854 119.914 -0.069 0.000 2.688 81 V HA -0.014 4.100 4.120 -0.009 0.000 0.256 81 V C 2.455 178.527 176.094 -0.036 0.000 1.084 81 V CA 1.333 63.607 62.300 -0.044 0.000 1.103 81 V CB -1.632 30.150 31.823 -0.069 0.000 0.688 81 V HN 0.434 nan 8.190 nan 0.000 0.480 82 A N 0.683 123.459 122.820 -0.073 0.000 1.825 82 A HA -0.078 4.236 4.320 -0.009 0.000 0.214 82 A C 2.049 179.654 177.584 0.035 0.000 1.206 82 A CA 1.759 53.760 52.037 -0.061 0.000 0.609 82 A CB -1.056 17.868 19.000 -0.127 0.000 0.851 82 A HN 0.593 nan 8.150 nan 0.000 0.445 83 F N 0.927 120.836 119.950 -0.069 0.000 2.063 83 F HA -0.246 4.275 4.527 -0.010 0.000 0.298 83 F C 2.040 177.830 175.800 -0.016 0.000 1.109 83 F CA 2.012 59.994 58.000 -0.030 0.000 1.212 83 F CB -0.450 38.529 39.000 -0.035 0.000 0.973 83 F HN 0.156 nan 8.300 nan 0.000 0.480 84 L N -0.885 120.559 121.223 0.367 0.000 2.012 84 L HA -0.330 4.005 4.340 -0.009 0.000 0.210 84 L C 2.689 179.614 176.870 0.093 0.000 1.073 84 L CA 1.734 56.717 54.840 0.238 0.000 0.748 84 L CB -1.317 40.821 42.059 0.132 0.000 0.891 84 L HN 0.302 nan 8.230 nan 0.000 0.431 85 C N -0.860 118.465 119.300 0.041 0.000 2.429 85 C HA -0.139 4.315 4.460 -0.009 0.000 0.277 85 C C 3.159 178.144 174.990 -0.009 0.000 1.262 85 C CA 1.074 60.094 59.018 0.004 0.000 1.733 85 C CB -0.688 27.038 27.740 -0.022 0.000 2.010 85 C HN 0.500 nan 8.230 nan 0.000 0.483 86 S N 0.712 116.389 115.700 -0.038 0.000 2.383 86 S HA -0.079 4.386 4.470 -0.009 0.000 0.227 86 S C 2.157 176.714 174.600 -0.072 0.000 1.026 86 S CA 1.301 59.461 58.200 -0.066 0.000 0.981 86 S CB -0.417 62.713 63.200 -0.117 0.000 0.818 86 S HN 0.706 nan 8.310 nan 0.000 0.472 87 A N 1.287 124.035 122.820 -0.120 0.000 1.841 87 A HA -0.042 4.273 4.320 -0.009 0.000 0.214 87 A C 2.316 179.933 177.584 0.054 0.000 1.195 87 A CA 1.557 53.550 52.037 -0.073 0.000 0.611 87 A CB -1.113 17.874 19.000 -0.021 0.000 0.835 87 A HN 0.314 nan 8.150 nan 0.000 0.443 88 V N 0.278 120.236 119.914 0.073 0.000 2.370 88 V HA -0.308 3.807 4.120 -0.009 0.000 0.252 88 V C 2.546 178.724 176.094 0.141 0.000 1.068 88 V CA 2.137 64.499 62.300 0.103 0.000 1.061 88 V CB -0.831 31.038 31.823 0.077 0.000 0.656 88 V HN 0.533 nan 8.190 nan 0.000 0.455 89 L N -0.390 120.895 121.223 0.102 0.000 2.034 89 L HA -0.034 4.300 4.340 -0.009 0.000 0.203 89 L C 2.818 179.822 176.870 0.224 0.000 1.074 89 L CA 1.353 56.267 54.840 0.124 0.000 0.748 89 L CB -1.008 41.074 42.059 0.038 0.000 0.905 89 L HN 0.314 nan 8.230 nan 0.000 0.439 90 A N 0.223 123.151 122.820 0.180 0.000 1.940 90 A HA -0.313 4.001 4.320 -0.009 0.000 0.221 90 A C 2.303 180.143 177.584 0.427 0.000 1.190 90 A CA 2.419 54.620 52.037 0.273 0.000 0.647 90 A CB -0.640 18.506 19.000 0.245 0.000 0.821 90 A HN 0.387 nan 8.150 nan 0.000 0.457 91 M N -2.509 117.281 119.600 0.318 0.000 2.064 91 M HA -0.054 4.421 4.480 -0.009 0.000 0.260 91 M C 2.188 178.702 176.300 0.357 0.000 1.073 91 M CA 1.947 57.428 55.300 0.302 0.000 1.124 91 M CB -0.632 32.074 32.600 0.177 0.000 1.326 91 M HN 0.502 nan 8.290 nan 0.000 0.410 92 F N 1.366 121.438 119.950 0.204 0.000 2.176 92 F HA -0.230 4.291 4.527 -0.009 0.000 0.301 92 F C 1.900 177.829 175.800 0.215 0.000 1.071 92 F CA 1.774 59.913 58.000 0.232 0.000 1.289 92 F CB -0.753 38.337 39.000 0.150 0.000 1.028 92 F HN 0.079 nan 8.300 nan 0.000 0.494 93 G N -1.108 107.916 108.800 0.375 0.000 2.496 93 G HA2 -0.259 3.696 3.960 -0.009 0.000 0.214 93 G HA3 -0.259 3.696 3.960 -0.009 0.000 0.214 93 G C 1.367 176.295 174.900 0.048 0.000 1.234 93 G CA 0.725 45.930 45.100 0.175 0.000 0.807 93 G HN 0.443 nan 8.290 nan 0.000 0.543 94 Y N 0.121 120.445 120.300 0.040 0.000 2.172 94 Y HA -0.261 4.283 4.550 -0.010 0.000 0.280 94 Y C 2.367 178.249 175.900 -0.029 0.000 1.209 94 Y CA 1.791 59.854 58.100 -0.061 0.000 1.171 94 Y CB -0.483 37.958 38.460 -0.031 0.000 0.965 94 Y HN 0.269 nan 8.280 nan 0.000 0.520 95 F N -0.233 119.733 119.950 0.027 0.000 2.014 95 F HA -0.297 4.224 4.527 -0.010 0.000 0.295 95 F C 2.126 177.885 175.800 -0.069 0.000 1.145 95 F CA 0.834 58.809 58.000 -0.041 0.000 1.178 95 F CB -0.382 38.569 39.000 -0.080 0.000 0.972 95 F HN -0.116 nan 8.300 nan 0.000 0.476 96 L N 0.558 121.564 121.223 -0.361 0.000 2.283 96 L HA -0.250 4.085 4.340 -0.009 0.000 0.217 96 L C 2.150 178.902 176.870 -0.196 0.000 1.104 96 L CA 1.142 55.717 54.840 -0.442 0.000 0.772 96 L CB -1.376 40.420 42.059 -0.438 0.000 0.899 96 L HN 0.230 nan 8.230 nan 0.000 0.439 97 V N -1.055 118.766 119.914 -0.155 0.000 2.300 97 V HA -0.117 3.998 4.120 -0.009 0.000 0.241 97 V C 2.585 178.583 176.094 -0.160 0.000 1.034 97 V CA 0.894 63.098 62.300 -0.160 0.000 1.021 97 V CB -0.374 31.314 31.823 -0.226 0.000 0.662 97 V HN 0.310 nan 8.190 nan 0.000 0.458 98 R N 0.567 120.958 120.500 -0.182 0.000 2.105 98 R HA -0.172 4.162 4.340 -0.009 0.000 0.239 98 R C 2.191 178.444 176.300 -0.078 0.000 1.135 98 R CA 1.537 57.537 56.100 -0.167 0.000 0.967 98 R CB -0.494 29.731 30.300 -0.125 0.000 0.861 98 R HN 0.387 nan 8.270 nan 0.000 0.442 99 K N -0.620 119.738 120.400 -0.070 0.000 2.211 99 K HA -0.036 4.278 4.320 -0.009 0.000 0.201 99 K C 0.605 176.993 176.600 -0.354 0.000 1.052 99 K CA 1.060 57.219 56.287 -0.213 0.000 0.973 99 K CB 0.242 32.530 32.500 -0.353 0.000 0.766 99 K HN 0.114 nan 8.250 nan 0.000 0.466 100 Y N -1.405 118.762 120.300 -0.222 0.000 2.626 100 Y HA 0.540 5.085 4.550 -0.009 0.000 0.248 100 Y C -0.470 175.333 175.900 -0.161 0.000 1.147 100 Y CA -0.441 57.553 58.100 -0.177 0.000 1.219 100 Y CB 1.272 39.615 38.460 -0.195 0.000 1.279 100 Y HN 0.044 nan 8.280 nan 0.000 0.541 101 A N -0.455 122.349 122.820 -0.028 0.000 2.778 101 A HA 0.377 4.691 4.320 -0.009 0.000 0.249 101 A C -2.449 175.074 177.584 -0.102 0.000 1.317 101 A CA -0.617 51.371 52.037 -0.081 0.000 1.170 101 A CB -0.168 18.772 19.000 -0.099 0.000 1.341 101 A HN -0.014 nan 8.150 nan 0.000 0.785 102 P HA -0.243 nan 4.420 nan 0.000 0.221 102 P C 1.316 178.559 177.300 -0.096 0.000 1.141 102 P CA 2.005 65.040 63.100 -0.109 0.000 0.794 102 P CB 0.213 31.873 31.700 -0.066 0.000 0.764 103 E N -0.194 119.955 120.200 -0.085 0.000 2.076 103 E HA -0.038 4.306 4.350 -0.009 0.000 0.190 103 E C 1.830 178.386 176.600 -0.073 0.000 0.979 103 E CA 0.843 57.202 56.400 -0.070 0.000 0.807 103 E CB -0.981 28.675 29.700 -0.074 0.000 0.761 103 E HN 0.083 nan 8.360 nan 0.000 0.454 104 A N 1.882 124.648 122.820 -0.090 0.000 2.277 104 A HA 0.105 4.420 4.320 -0.009 0.000 0.208 104 A C 1.142 178.671 177.584 -0.092 0.000 1.202 104 A CA 0.725 52.712 52.037 -0.084 0.000 0.762 104 A CB -0.845 18.103 19.000 -0.087 0.000 0.770 104 A HN 0.276 nan 8.150 nan 0.000 0.487 105 G N -2.495 106.238 108.800 -0.111 0.000 2.522 105 G HA2 0.568 4.522 3.960 -0.009 0.000 0.304 105 G HA3 0.568 4.522 3.960 -0.009 0.000 0.304 105 G C 0.752 175.601 174.900 -0.084 0.000 1.210 105 G CA -0.012 45.004 45.100 -0.140 0.000 0.960 105 G HN 1.374 nan 8.290 nan 0.000 0.497 106 G N -0.487 108.257 108.800 -0.093 0.000 2.591 106 G HA2 -0.198 3.756 3.960 -0.009 0.000 0.278 106 G HA3 -0.198 3.756 3.960 -0.009 0.000 0.278 106 G C 1.461 176.463 174.900 0.170 0.000 1.293 106 G CA 0.994 46.052 45.100 -0.070 0.000 0.930 106 G HN 1.607 nan 8.290 nan 0.000 0.562 107 S N -0.800 115.152 115.700 0.420 0.000 2.523 107 S HA 0.135 4.600 4.470 -0.009 0.000 0.226 107 S C 2.409 177.118 174.600 0.182 0.000 1.062 107 S CA 3.873 62.330 58.200 0.428 0.000 1.207 107 S CB -0.859 62.633 63.200 0.485 0.000 1.151 107 S HN 2.816 nan 8.310 nan 0.000 0.408 108 G N -0.570 108.314 108.800 0.141 0.000 2.545 108 G HA2 -0.164 3.791 3.960 -0.009 0.000 0.195 108 G HA3 -0.164 3.791 3.960 -0.009 0.000 0.195 108 G C 0.961 175.912 174.900 0.084 0.000 1.009 108 G CA 0.287 45.428 45.100 0.068 0.000 0.703 108 G HN 0.502 nan 8.290 nan 0.000 0.479 109 I N 2.000 122.653 120.570 0.139 0.000 2.099 109 I HA -0.111 4.053 4.170 -0.009 0.000 0.239 109 I C 0.184 176.382 176.117 0.136 0.000 1.066 109 I CA 2.214 63.616 61.300 0.171 0.000 1.324 109 I CB -0.894 37.272 38.000 0.278 0.000 1.037 109 I HN 0.178 nan 8.210 nan 0.000 0.401 110 P HA -0.201 nan 4.420 nan 0.000 0.216 110 P C 1.386 178.726 177.300 0.066 0.000 1.153 110 P CA 1.437 64.601 63.100 0.108 0.000 0.858 110 P CB 0.071 31.843 31.700 0.120 0.000 0.789 111 E N -0.507 119.726 120.200 0.056 0.000 2.031 111 E HA -0.153 4.191 4.350 -0.009 0.000 0.193 111 E C 1.958 178.571 176.600 0.021 0.000 0.994 111 E CA 1.098 57.516 56.400 0.029 0.000 0.800 111 E CB -0.967 28.741 29.700 0.014 0.000 0.752 111 E HN 0.009 nan 8.360 nan 0.000 0.447 112 I N 1.348 121.931 120.570 0.022 0.000 2.335 112 I HA -0.217 3.947 4.170 -0.009 0.000 0.251 112 I C 1.962 178.072 176.117 -0.012 0.000 1.129 112 I CA 1.409 62.713 61.300 0.007 0.000 1.402 112 I CB -1.057 36.948 38.000 0.009 0.000 1.069 112 I HN 0.283 nan 8.210 nan 0.000 0.424 113 E N 0.544 120.741 120.200 -0.005 0.000 2.150 113 E HA -0.141 4.203 4.350 -0.009 0.000 0.193 113 E C 2.285 178.874 176.600 -0.019 0.000 0.985 113 E CA 1.084 57.465 56.400 -0.031 0.000 0.814 113 E CB -0.204 29.490 29.700 -0.009 0.000 0.752 113 E HN 0.573 nan 8.360 nan 0.000 0.466 114 G N 1.459 110.262 108.800 0.006 0.000 2.414 114 G HA2 -0.222 3.732 3.960 -0.009 0.000 0.215 114 G HA3 -0.222 3.732 3.960 -0.009 0.000 0.215 114 G C 1.737 176.644 174.900 0.012 0.000 1.188 114 G CA 0.819 45.929 45.100 0.016 0.000 0.783 114 G HN 0.334 nan 8.290 nan 0.000 0.537 115 A N 0.520 123.348 122.820 0.013 0.000 1.986 115 A HA 0.012 4.327 4.320 -0.009 0.000 0.220 115 A C 2.411 180.004 177.584 0.014 0.000 1.171 115 A CA 1.348 53.403 52.037 0.030 0.000 0.640 115 A CB -0.411 18.610 19.000 0.034 0.000 0.811 115 A HN 0.373 nan 8.150 nan 0.000 0.451 116 L N -0.793 120.396 121.223 -0.056 0.000 2.201 116 L HA -0.114 4.220 4.340 -0.009 0.000 0.212 116 L C 2.155 178.894 176.870 -0.218 0.000 1.105 116 L CA 0.981 55.703 54.840 -0.197 0.000 0.775 116 L CB -0.327 41.600 42.059 -0.220 0.000 0.913 116 L HN 0.361 nan 8.230 nan 0.000 0.440 117 E N -0.671 119.488 120.200 -0.069 0.000 2.478 117 E HA -0.098 4.247 4.350 -0.009 0.000 0.194 117 E C -0.053 176.583 176.600 0.060 0.000 1.045 117 E CA 0.233 56.630 56.400 -0.005 0.000 0.868 117 E CB 0.168 29.882 29.700 0.023 0.000 0.885 117 E HN 0.343 nan 8.360 nan 0.000 0.505 118 D N 0.230 120.678 120.400 0.081 0.000 3.068 118 D HA -0.155 4.479 4.640 -0.009 0.000 0.218 118 D C 0.585 176.928 176.300 0.072 0.000 1.145 118 D CA 0.489 54.552 54.000 0.105 0.000 0.896 118 D CB -0.764 40.116 40.800 0.134 0.000 1.105 118 D HN 0.237 nan 8.370 nan 0.000 0.423 119 Q N -0.547 119.285 119.800 0.054 0.000 2.282 119 Q HA 0.144 4.479 4.340 -0.009 0.000 0.206 119 Q C 0.648 176.671 176.000 0.038 0.000 0.878 119 Q CA 0.476 56.305 55.803 0.044 0.000 0.944 119 Q CB 1.032 29.793 28.738 0.038 0.000 1.100 119 Q HN 0.323 nan 8.270 nan 0.000 0.509 120 R N 0.596 121.121 120.500 0.041 0.000 2.707 120 R HA 0.517 4.851 4.340 -0.009 0.000 0.272 120 R C -2.611 173.714 176.300 0.041 0.000 1.011 120 R CA -1.613 54.507 56.100 0.033 0.000 0.893 120 R CB 1.318 31.631 30.300 0.022 0.000 1.233 120 R HN -0.065 nan 8.270 nan 0.000 0.464 121 P HA 0.361 nan 4.420 nan 0.000 0.281 121 P C -0.541 176.766 177.300 0.011 0.000 1.264 121 P CA -0.563 62.566 63.100 0.049 0.000 0.824 121 P CB 1.157 32.892 31.700 0.058 0.000 1.092 122 V N 2.351 122.286 119.914 0.036 0.000 2.225 122 V HA 0.238 4.353 4.120 -0.009 0.000 0.264 122 V C 1.078 177.063 176.094 -0.181 0.000 1.067 122 V CA -0.515 61.785 62.300 -0.001 0.000 0.903 122 V CB -0.218 31.673 31.823 0.113 0.000 1.136 122 V HN 0.438 nan 8.190 nan 0.000 0.456 123 R N 3.485 123.669 120.500 -0.527 0.000 4.886 123 R HA -0.001 4.334 4.340 -0.009 0.000 0.181 123 R C 1.634 177.028 176.300 -1.509 0.000 1.989 123 R CA -0.165 54.992 56.100 -1.572 0.000 1.623 123 R CB -0.153 29.464 30.300 -1.138 0.000 1.383 123 R HN 0.934 nan 8.270 nan 0.000 0.847 124 W N 1.284 122.120 121.300 -0.775 0.000 2.304 124 W HA -0.294 4.361 4.660 -0.010 0.000 0.315 124 W C 0.898 177.239 176.519 -0.298 0.000 1.233 124 W CA 1.128 58.266 57.345 -0.345 0.000 1.261 124 W CB -1.379 28.044 29.460 -0.060 0.000 1.150 124 W HN 0.510 nan 8.180 nan 0.000 0.494 125 W N 1.634 122.374 121.300 -0.933 0.000 2.436 125 W HA -0.016 4.639 4.660 -0.009 0.000 0.261 125 W C 2.009 178.380 176.519 -0.246 0.000 1.222 125 W CA 1.440 58.349 57.345 -0.728 0.000 1.191 125 W CB -1.111 27.706 29.460 -1.072 0.000 1.132 125 W HN -0.134 nan 8.180 nan 0.000 0.596 126 R N 0.359 120.452 120.500 -0.677 0.000 2.013 126 R HA 0.043 4.377 4.340 -0.009 0.000 0.198 126 R C 2.343 178.513 176.300 -0.217 0.000 1.407 126 R CA 0.802 56.670 56.100 -0.386 0.000 1.140 126 R CB -0.799 29.202 30.300 -0.500 0.000 1.011 126 R HN 0.063 nan 8.270 nan 0.000 0.472 127 V N 2.998 122.757 119.914 -0.260 0.000 2.250 127 V HA -0.353 3.762 4.120 -0.009 0.000 0.253 127 V C 2.492 178.560 176.094 -0.043 0.000 1.065 127 V CA 2.016 64.235 62.300 -0.135 0.000 1.039 127 V CB -0.878 30.861 31.823 -0.141 0.000 0.647 127 V HN 0.298 nan 8.190 nan 0.000 0.446 128 L N 0.575 121.793 121.223 -0.008 0.000 1.957 128 L HA -0.191 4.144 4.340 -0.009 0.000 0.228 128 L C 0.546 177.465 176.870 0.081 0.000 1.086 128 L CA 2.724 57.586 54.840 0.035 0.000 0.796 128 L CB -2.316 39.793 42.059 0.084 0.000 0.900 128 L HN 0.373 nan 8.230 nan 0.000 0.439 129 P HA -0.109 nan 4.420 nan 0.000 0.219 129 P C 1.750 179.236 177.300 0.310 0.000 1.146 129 P CA 1.337 64.603 63.100 0.276 0.000 0.808 129 P CB 0.095 31.921 31.700 0.211 0.000 0.779 130 V N 0.901 120.881 119.914 0.110 0.000 2.249 130 V HA -0.152 3.962 4.120 -0.009 0.000 0.239 130 V C 2.773 178.918 176.094 0.085 0.000 1.038 130 V CA 1.988 64.318 62.300 0.050 0.000 1.005 130 V CB -1.210 30.584 31.823 -0.049 0.000 0.646 130 V HN 0.029 nan 8.190 nan 0.000 0.455 131 K N 0.089 120.512 120.400 0.038 0.000 2.089 131 K HA -0.233 4.081 4.320 -0.009 0.000 0.210 131 K C 1.861 178.501 176.600 0.067 0.000 1.048 131 K CA 1.948 58.245 56.287 0.016 0.000 0.926 131 K CB -0.701 31.781 32.500 -0.030 0.000 0.714 131 K HN 0.390 nan 8.250 nan 0.000 0.448 132 F N -0.312 119.606 119.950 -0.053 0.000 1.988 132 F HA -0.213 4.309 4.527 -0.009 0.000 0.296 132 F C 1.688 177.516 175.800 0.046 0.000 1.178 132 F CA 1.892 59.841 58.000 -0.084 0.000 1.174 132 F CB -0.499 38.336 39.000 -0.275 0.000 0.963 132 F HN 0.008 nan 8.300 nan 0.000 0.489 133 F N 1.136 121.101 119.950 0.025 0.000 2.307 133 F HA -0.042 4.479 4.527 -0.009 0.000 0.301 133 F C 2.469 178.337 175.800 0.113 0.000 1.076 133 F CA 1.071 59.068 58.000 -0.006 0.000 1.383 133 F CB -1.502 37.636 39.000 0.229 0.000 1.055 133 F HN 0.161 nan 8.300 nan 0.000 0.526 134 G N 0.015 108.962 108.800 0.246 0.000 2.524 134 G HA2 -0.175 3.779 3.960 -0.009 0.000 0.215 134 G HA3 -0.175 3.779 3.960 -0.009 0.000 0.215 134 G C 2.096 177.074 174.900 0.130 0.000 1.239 134 G CA 0.764 45.960 45.100 0.160 0.000 0.798 134 G HN 0.456 nan 8.290 nan 0.000 0.557 135 G N 0.353 109.234 108.800 0.134 0.000 2.462 135 G HA2 -0.117 3.837 3.960 -0.009 0.000 0.220 135 G HA3 -0.117 3.837 3.960 -0.009 0.000 0.220 135 G C 1.743 176.706 174.900 0.104 0.000 1.121 135 G CA 0.831 46.044 45.100 0.189 0.000 0.758 135 G HN 0.317 nan 8.290 nan 0.000 0.559 136 L N 1.297 122.529 121.223 0.016 0.000 2.081 136 L HA -0.014 4.321 4.340 -0.009 0.000 0.212 136 L C 2.850 179.654 176.870 -0.111 0.000 1.080 136 L CA 2.054 56.748 54.840 -0.243 0.000 0.754 136 L CB -0.743 41.160 42.059 -0.260 0.000 0.893 136 L HN 0.231 nan 8.230 nan 0.000 0.433 137 G N -2.604 106.210 108.800 0.024 0.000 2.411 137 G HA2 -0.166 3.789 3.960 -0.009 0.000 0.213 137 G HA3 -0.166 3.789 3.960 -0.009 0.000 0.213 137 G C 1.518 176.444 174.900 0.043 0.000 1.166 137 G CA 0.898 46.030 45.100 0.055 0.000 0.802 137 G HN 0.456 nan 8.290 nan 0.000 0.533 138 T N 0.119 114.700 114.554 0.043 0.000 2.777 138 T HA 0.042 4.387 4.350 -0.009 0.000 0.266 138 T C 2.254 176.966 174.700 0.021 0.000 1.040 138 T CA 0.679 62.795 62.100 0.027 0.000 1.141 138 T CB -0.170 68.684 68.868 -0.023 0.000 0.868 138 T HN -0.011 nan 8.240 nan 0.000 0.444 139 L N 1.533 122.759 121.223 0.005 0.000 2.068 139 L HA 0.240 4.575 4.340 -0.009 0.000 0.204 139 L C 2.998 179.832 176.870 -0.060 0.000 1.076 139 L CA 1.976 56.805 54.840 -0.018 0.000 0.753 139 L CB -1.847 40.191 42.059 -0.034 0.000 0.910 139 L HN 0.508 nan 8.230 nan 0.000 0.439 140 G N -0.948 107.786 108.800 -0.109 0.000 2.653 140 G HA2 -0.069 3.885 3.960 -0.009 0.000 0.212 140 G HA3 -0.069 3.885 3.960 -0.009 0.000 0.212 140 G C 1.265 176.134 174.900 -0.052 0.000 1.138 140 G CA 0.724 45.766 45.100 -0.096 0.000 0.782 140 G HN 0.523 nan 8.290 nan 0.000 0.535 141 G N -1.486 107.297 108.800 -0.027 0.000 3.192 141 G HA2 0.409 4.364 3.960 -0.009 0.000 0.239 141 G HA3 0.409 4.364 3.960 -0.009 0.000 0.239 141 G C 1.061 175.957 174.900 -0.007 0.000 1.084 141 G CA 0.361 45.452 45.100 -0.015 0.000 0.784 141 G HN 1.214 nan 8.290 nan 0.000 0.540 142 G N 0.163 108.962 108.800 -0.002 0.000 2.141 142 G HA2 -0.271 3.683 3.960 -0.009 0.000 0.231 142 G HA3 -0.271 3.683 3.960 -0.009 0.000 0.231 142 G C 0.525 175.440 174.900 0.025 0.000 0.984 142 G CA 0.208 45.316 45.100 0.013 0.000 0.660 142 G HN 0.378 nan 8.290 nan 0.000 0.525 143 M N 0.055 119.674 119.600 0.031 0.000 2.207 143 M HA 0.263 4.737 4.480 -0.009 0.000 0.311 143 M C 1.253 177.584 176.300 0.051 0.000 1.127 143 M CA 0.134 55.465 55.300 0.052 0.000 1.181 143 M CB 0.861 33.505 32.600 0.073 0.000 1.409 143 M HN -0.087 nan 8.290 nan 0.000 0.461 144 V N 4.338 124.293 119.914 0.068 0.000 1.984 144 V HA 0.167 4.281 4.120 -0.009 0.000 0.272 144 V C -0.067 176.066 176.094 0.065 0.000 1.706 144 V CA 0.325 62.659 62.300 0.057 0.000 1.644 144 V CB -1.658 30.208 31.823 0.071 0.000 1.509 144 V HN 0.502 nan 8.190 nan 0.000 0.511 145 L N 0.772 122.025 121.223 0.050 0.000 2.370 145 L HA 0.790 5.125 4.340 -0.009 0.000 0.266 145 L C 0.867 177.746 176.870 0.015 0.000 1.002 145 L CA -0.558 54.318 54.840 0.059 0.000 0.818 145 L CB 1.906 44.025 42.059 0.101 0.000 1.325 145 L HN 0.413 nan 8.230 nan 0.000 0.418 146 G N 0.560 109.365 108.800 0.009 0.000 2.510 146 G HA2 0.372 4.326 3.960 -0.009 0.000 0.280 146 G HA3 0.372 4.326 3.960 -0.009 0.000 0.280 146 G C 0.439 175.357 174.900 0.030 0.000 1.386 146 G CA -0.383 44.708 45.100 -0.016 0.000 1.047 146 G HN 0.723 nan 8.290 nan 0.000 0.527 147 R N -0.887 119.609 120.500 -0.006 0.000 2.254 147 R HA 0.125 4.459 4.340 -0.009 0.000 0.193 147 R C 2.232 178.426 176.300 -0.177 0.000 0.929 147 R CA 0.505 56.611 56.100 0.010 0.000 1.038 147 R CB 0.070 30.409 30.300 0.065 0.000 1.009 147 R HN 0.545 nan 8.270 nan 0.000 0.512 148 E N 1.066 121.126 120.200 -0.234 0.000 2.063 148 E HA -0.261 4.083 4.350 -0.009 0.000 0.221 148 E C 1.972 178.452 176.600 -0.201 0.000 1.052 148 E CA 1.839 58.058 56.400 -0.302 0.000 0.891 148 E CB -1.127 28.424 29.700 -0.249 0.000 0.792 148 E HN 0.370 nan 8.360 nan 0.000 0.482 149 G N 1.661 110.412 108.800 -0.081 0.000 2.802 149 G HA2 -0.303 3.651 3.960 -0.009 0.000 0.222 149 G HA3 -0.303 3.651 3.960 -0.009 0.000 0.222 149 G C -0.815 174.015 174.900 -0.115 0.000 1.248 149 G CA 1.810 46.892 45.100 -0.030 0.000 0.787 149 G HN 0.298 nan 8.290 nan 0.000 0.643 150 P HA -0.184 nan 4.420 nan 0.000 0.217 150 P C 2.400 179.468 177.300 -0.387 0.000 1.162 150 P CA 3.007 65.901 63.100 -0.343 0.000 0.901 150 P CB -0.436 30.882 31.700 -0.635 0.000 0.793 151 T N -3.178 111.125 114.554 -0.419 0.000 2.643 151 T HA -0.114 4.231 4.350 -0.009 0.000 0.256 151 T C 1.850 176.425 174.700 -0.207 0.000 1.061 151 T CA 1.484 63.388 62.100 -0.326 0.000 1.163 151 T CB -1.578 67.098 68.868 -0.321 0.000 0.865 151 T HN -0.164 nan 8.240 nan 0.000 0.407 152 V N 2.374 122.175 119.914 -0.187 0.000 2.280 152 V HA -0.360 3.755 4.120 -0.009 0.000 0.258 152 V C 2.937 178.990 176.094 -0.067 0.000 1.081 152 V CA 2.619 64.856 62.300 -0.105 0.000 1.070 152 V CB -1.099 30.685 31.823 -0.065 0.000 0.666 152 V HN 0.616 nan 8.190 nan 0.000 0.450 153 Q N -0.669 119.087 119.800 -0.073 0.000 1.969 153 Q HA -0.135 4.199 4.340 -0.009 0.000 0.198 153 Q C 2.292 178.251 176.000 -0.069 0.000 0.978 153 Q CA 1.958 57.729 55.803 -0.053 0.000 0.830 153 Q CB -0.180 28.529 28.738 -0.048 0.000 0.896 153 Q HN 0.638 nan 8.270 nan 0.000 0.431 154 I N 0.724 121.233 120.570 -0.103 0.000 2.300 154 I HA -0.306 3.859 4.170 -0.009 0.000 0.252 154 I C 2.196 178.258 176.117 -0.091 0.000 1.119 154 I CA 1.192 62.434 61.300 -0.097 0.000 1.384 154 I CB -0.690 37.229 38.000 -0.133 0.000 1.062 154 I HN 0.445 nan 8.210 nan 0.000 0.426 155 G N 0.557 109.297 108.800 -0.100 0.000 2.453 155 G HA2 -0.201 3.753 3.960 -0.009 0.000 0.215 155 G HA3 -0.201 3.753 3.960 -0.009 0.000 0.215 155 G C 1.704 176.567 174.900 -0.063 0.000 1.201 155 G CA 0.852 45.900 45.100 -0.087 0.000 0.784 155 G HN 0.481 nan 8.290 nan 0.000 0.545 156 G N 1.066 109.839 108.800 -0.044 0.000 2.446 156 G HA2 -0.282 3.672 3.960 -0.009 0.000 0.217 156 G HA3 -0.282 3.672 3.960 -0.009 0.000 0.217 156 G C 1.736 176.628 174.900 -0.014 0.000 1.168 156 G CA 1.321 46.407 45.100 -0.024 0.000 0.771 156 G HN 0.472 nan 8.290 nan 0.000 0.551 157 N N 0.422 119.118 118.700 -0.006 0.000 2.223 157 N HA -0.068 4.667 4.740 -0.009 0.000 0.185 157 N C 2.022 177.511 175.510 -0.035 0.000 1.016 157 N CA 0.593 53.666 53.050 0.039 0.000 0.863 157 N CB -0.100 38.429 38.487 0.069 0.000 0.983 157 N HN 0.188 nan 8.380 nan 0.000 0.429 158 I N 0.464 120.989 120.570 -0.074 0.000 2.127 158 I HA -0.151 4.013 4.170 -0.009 0.000 0.241 158 I C 2.329 178.352 176.117 -0.156 0.000 1.075 158 I CA 1.408 62.628 61.300 -0.133 0.000 1.334 158 I CB -1.609 36.322 38.000 -0.114 0.000 1.040 158 I HN 0.191 nan 8.210 nan 0.000 0.405 159 G N 0.140 108.883 108.800 -0.095 0.000 2.432 159 G HA2 -0.296 3.659 3.960 -0.009 0.000 0.219 159 G HA3 -0.296 3.659 3.960 -0.009 0.000 0.219 159 G C 1.857 176.712 174.900 -0.074 0.000 1.135 159 G CA 0.847 45.905 45.100 -0.070 0.000 0.767 159 G HN 0.239 nan 8.290 nan 0.000 0.550 160 R N 0.286 120.744 120.500 -0.069 0.000 2.062 160 R HA 0.088 4.422 4.340 -0.009 0.000 0.231 160 R C 2.495 178.653 176.300 -0.236 0.000 1.136 160 R CA 1.789 57.871 56.100 -0.030 0.000 0.948 160 R CB -0.792 29.578 30.300 0.117 0.000 0.845 160 R HN 0.339 nan 8.270 nan 0.000 0.430 161 M N 0.413 119.642 119.600 -0.619 0.000 2.108 161 M HA -0.212 4.262 4.480 -0.009 0.000 0.257 161 M C 1.910 177.804 176.300 -0.677 0.000 1.071 161 M CA 2.629 57.168 55.300 -1.267 0.000 1.093 161 M CB -0.214 31.579 32.600 -1.344 0.000 1.345 161 M HN 0.193 nan 8.290 nan 0.000 0.403 162 V N -1.090 118.596 119.914 -0.379 0.000 2.358 162 V HA -0.201 3.913 4.120 -0.009 0.000 0.246 162 V C 2.217 178.281 176.094 -0.050 0.000 1.047 162 V CA 1.585 63.766 62.300 -0.200 0.000 1.035 162 V CB -1.322 30.527 31.823 0.044 0.000 0.658 162 V HN 0.576 nan 8.190 nan 0.000 0.452 163 L N 1.582 122.789 121.223 -0.026 0.000 1.990 163 L HA -0.194 4.140 4.340 -0.009 0.000 0.213 163 L C 2.218 179.112 176.870 0.039 0.000 1.072 163 L CA 2.770 57.638 54.840 0.048 0.000 0.755 163 L CB -0.992 41.094 42.059 0.047 0.000 0.889 163 L HN 0.371 nan 8.230 nan 0.000 0.432 164 D N -0.505 119.890 120.400 -0.008 0.000 2.084 164 D HA -0.137 4.497 4.640 -0.009 0.000 0.196 164 D C 2.324 178.592 176.300 -0.053 0.000 0.985 164 D CA 1.816 55.837 54.000 0.035 0.000 0.826 164 D CB -0.291 40.620 40.800 0.186 0.000 0.978 164 D HN 0.411 nan 8.370 nan 0.000 0.456 165 I N -0.110 120.321 120.570 -0.231 0.000 2.399 165 I HA -0.255 3.910 4.170 -0.009 0.000 0.254 165 I C 1.271 177.145 176.117 -0.406 0.000 1.146 165 I CA 0.942 62.011 61.300 -0.384 0.000 1.412 165 I CB -0.126 37.471 38.000 -0.671 0.000 1.076 165 I HN -0.081 nan 8.210 nan 0.000 0.432 166 F N 0.380 120.317 119.950 -0.020 0.000 2.678 166 F HA 0.253 4.775 4.527 -0.009 0.000 0.305 166 F C 1.016 176.821 175.800 0.010 0.000 1.090 166 F CA -0.421 57.579 58.000 -0.000 0.000 1.272 166 F CB -0.006 38.996 39.000 0.004 0.000 1.060 166 F HN -0.078 nan 8.300 nan 0.000 0.576 167 R N 0.032 120.612 120.500 0.135 0.000 3.758 167 R HA -0.218 4.117 4.340 -0.009 0.000 0.299 167 R C -0.281 176.078 176.300 0.098 0.000 1.182 167 R CA 0.211 56.368 56.100 0.096 0.000 0.809 167 R CB -2.845 27.502 30.300 0.077 0.000 1.249 167 R HN 0.305 nan 8.270 nan 0.000 0.497 168 L N 1.458 122.753 121.223 0.121 0.000 2.559 168 L HA 0.045 4.380 4.340 -0.009 0.000 0.274 168 L C 1.071 177.976 176.870 0.059 0.000 1.205 168 L CA 0.950 55.843 54.840 0.089 0.000 0.907 168 L CB 0.174 42.289 42.059 0.094 0.000 1.153 168 L HN 0.105 nan 8.230 nan 0.000 0.490 169 K N 2.492 122.917 120.400 0.042 0.000 2.208 169 K HA 0.763 5.078 4.320 -0.009 0.000 0.247 169 K C -0.272 176.335 176.600 0.012 0.000 0.953 169 K CA -0.029 56.274 56.287 0.027 0.000 0.837 169 K CB 1.906 34.420 32.500 0.024 0.000 1.131 169 K HN 0.705 nan 8.250 nan 0.000 0.431 170 G N 2.488 111.286 108.800 -0.004 0.000 2.674 170 G HA2 -0.141 3.814 3.960 -0.009 0.000 0.686 170 G HA3 -0.141 3.814 3.960 -0.009 0.000 0.686 170 G C -0.229 174.635 174.900 -0.060 0.000 1.195 170 G CA -0.409 44.678 45.100 -0.022 0.000 0.776 170 G HN 0.709 nan 8.290 nan 0.000 0.654 171 D N 0.081 120.418 120.400 -0.104 0.000 2.126 171 D HA -0.114 4.521 4.640 -0.009 0.000 0.190 171 D C 2.080 178.260 176.300 -0.201 0.000 1.001 171 D CA 1.816 55.669 54.000 -0.245 0.000 0.841 171 D CB -0.065 40.598 40.800 -0.229 0.000 0.949 171 D HN 0.712 nan 8.370 nan 0.000 0.446 172 E N -0.005 120.154 120.200 -0.068 0.000 2.048 172 E HA -0.277 4.067 4.350 -0.009 0.000 0.202 172 E C 2.027 178.637 176.600 0.017 0.000 1.021 172 E CA 1.473 57.873 56.400 0.001 0.000 0.825 172 E CB -0.146 29.565 29.700 0.019 0.000 0.756 172 E HN 0.230 nan 8.360 nan 0.000 0.454 173 A N 1.093 123.918 122.820 0.008 0.000 1.892 173 A HA -0.278 4.036 4.320 -0.009 0.000 0.218 173 A C 2.167 179.773 177.584 0.038 0.000 1.188 173 A CA 2.033 54.086 52.037 0.026 0.000 0.631 173 A CB -0.666 18.351 19.000 0.028 0.000 0.822 173 A HN 0.248 nan 8.150 nan 0.000 0.447 174 R N -1.520 118.991 120.500 0.017 0.000 2.090 174 R HA -0.114 4.220 4.340 -0.009 0.000 0.228 174 R C 2.011 178.401 176.300 0.150 0.000 1.110 174 R CA 1.605 57.739 56.100 0.056 0.000 0.973 174 R CB -0.374 29.938 30.300 0.020 0.000 0.869 174 R HN 0.806 nan 8.270 nan 0.000 0.440 175 H N -1.555 117.520 119.070 0.008 0.000 2.470 175 H HA 0.015 4.565 4.556 -0.009 0.000 0.289 175 H C 1.555 176.872 175.328 -0.018 0.000 1.033 175 H CA 1.150 57.192 56.048 -0.010 0.000 1.331 175 H CB 0.512 30.259 29.762 -0.024 0.000 1.414 175 H HN 0.199 nan 8.280 nan 0.000 0.545 176 T N 0.844 115.470 114.554 0.120 0.000 2.781 176 T HA -0.009 4.335 4.350 -0.009 0.000 0.252 176 T C 1.985 176.708 174.700 0.039 0.000 1.039 176 T CA 0.364 62.499 62.100 0.058 0.000 1.147 176 T CB -0.128 68.768 68.868 0.047 0.000 0.865 176 T HN 0.180 nan 8.240 nan 0.000 0.423 177 L N 1.194 122.441 121.223 0.040 0.000 2.551 177 L HA -0.033 4.302 4.340 -0.009 0.000 0.230 177 L C 2.128 179.008 176.870 0.017 0.000 1.163 177 L CA 0.687 55.541 54.840 0.023 0.000 0.826 177 L CB -0.520 41.555 42.059 0.026 0.000 0.943 177 L HN 0.238 nan 8.230 nan 0.000 0.452 178 L N -0.463 120.779 121.223 0.031 0.000 2.316 178 L HA 0.153 4.487 4.340 -0.009 0.000 0.207 178 L C 2.538 179.403 176.870 -0.007 0.000 1.070 178 L CA 1.384 56.236 54.840 0.020 0.000 0.820 178 L CB -0.259 41.827 42.059 0.045 0.000 0.992 178 L HN 0.040 nan 8.230 nan 0.000 0.466 179 A N -0.959 121.853 122.820 -0.013 0.000 1.929 179 A HA -0.131 4.183 4.320 -0.009 0.000 0.216 179 A C 2.314 179.884 177.584 -0.024 0.000 1.176 179 A CA 1.885 53.900 52.037 -0.037 0.000 0.628 179 A CB -1.160 17.811 19.000 -0.048 0.000 0.816 179 A HN 0.567 nan 8.150 nan 0.000 0.444 180 T N -2.630 111.917 114.554 -0.011 0.000 2.737 180 T HA 0.017 4.361 4.350 -0.009 0.000 0.265 180 T C 1.987 176.672 174.700 -0.025 0.000 1.038 180 T CA 1.644 63.736 62.100 -0.012 0.000 1.144 180 T CB -1.112 67.752 68.868 -0.007 0.000 0.866 180 T HN 0.417 nan 8.240 nan 0.000 0.434 181 G N 1.157 109.940 108.800 -0.029 0.000 2.485 181 G HA2 -0.005 3.949 3.960 -0.009 0.000 0.221 181 G HA3 -0.005 3.949 3.960 -0.009 0.000 0.221 181 G C 1.788 176.664 174.900 -0.040 0.000 1.115 181 G CA 1.033 46.108 45.100 -0.042 0.000 0.751 181 G HN 0.811 nan 8.290 nan 0.000 0.567 182 A N 0.942 123.748 122.820 -0.023 0.000 1.855 182 A HA 0.464 4.778 4.320 -0.009 0.000 0.213 182 A C 2.828 180.423 177.584 0.018 0.000 1.195 182 A CA 1.917 53.954 52.037 0.000 0.000 0.610 182 A CB -0.847 18.156 19.000 0.006 0.000 0.837 182 A HN 0.710 nan 8.150 nan 0.000 0.444 183 A N 0.134 122.963 122.820 0.015 0.000 1.858 183 A HA 0.139 4.453 4.320 -0.009 0.000 0.216 183 A C 2.548 180.106 177.584 -0.044 0.000 1.190 183 A CA 2.391 54.436 52.037 0.014 0.000 0.617 183 A CB -1.298 17.698 19.000 -0.007 0.000 0.827 183 A HN 1.159 nan 8.150 nan 0.000 0.443 184 A N -0.480 122.307 122.820 -0.055 0.000 1.896 184 A HA -0.065 4.249 4.320 -0.009 0.000 0.220 184 A C 2.499 180.023 177.584 -0.099 0.000 1.206 184 A CA 2.513 54.507 52.037 -0.073 0.000 0.647 184 A CB -1.651 17.311 19.000 -0.063 0.000 0.828 184 A HN 0.914 nan 8.150 nan 0.000 0.455 185 G N -0.597 108.143 108.800 -0.101 0.000 2.446 185 G HA2 -0.177 3.777 3.960 -0.009 0.000 0.217 185 G HA3 -0.177 3.777 3.960 -0.009 0.000 0.217 185 G C 1.502 176.279 174.900 -0.205 0.000 1.168 185 G CA 1.261 46.274 45.100 -0.145 0.000 0.771 185 G HN 0.633 nan 8.290 nan 0.000 0.551 186 L N 0.957 122.072 121.223 -0.180 0.000 2.275 186 L HA 0.303 4.637 4.340 -0.009 0.000 0.215 186 L C 2.894 179.624 176.870 -0.233 0.000 1.119 186 L CA 1.758 56.439 54.840 -0.265 0.000 0.790 186 L CB -0.332 41.584 42.059 -0.238 0.000 0.919 186 L HN 0.228 nan 8.230 nan 0.000 0.443 187 A N -0.177 122.539 122.820 -0.173 0.000 1.832 187 A HA 0.039 4.353 4.320 -0.009 0.000 0.214 187 A C 2.351 179.774 177.584 -0.269 0.000 1.204 187 A CA 1.146 53.084 52.037 -0.166 0.000 0.606 187 A CB -1.295 17.627 19.000 -0.130 0.000 0.849 187 A HN 0.466 nan 8.150 nan 0.000 0.445 188 A N -0.490 122.179 122.820 -0.252 0.000 2.285 188 A HA 0.196 4.511 4.320 -0.009 0.000 0.214 188 A C 2.074 179.407 177.584 -0.418 0.000 1.188 188 A CA 1.876 53.729 52.037 -0.307 0.000 0.707 188 A CB -0.743 18.178 19.000 -0.132 0.000 0.771 188 A HN 0.913 nan 8.150 nan 0.000 0.488 189 A N -0.693 121.843 122.820 -0.474 0.000 1.864 189 A HA 0.337 4.652 4.320 -0.009 0.000 0.213 189 A C 1.245 178.417 177.584 -0.686 0.000 1.266 189 A CA 0.903 52.546 52.037 -0.657 0.000 0.612 189 A CB -0.342 18.044 19.000 -1.024 0.000 0.940 189 A HN 0.487 nan 8.150 nan 0.000 0.463 190 F N -0.023 119.810 119.950 -0.195 0.000 2.668 190 F HA 0.246 4.768 4.527 -0.009 0.000 0.297 190 F C 0.747 176.379 175.800 -0.280 0.000 1.124 190 F CA 0.041 57.934 58.000 -0.179 0.000 1.353 190 F CB -0.582 38.360 39.000 -0.096 0.000 0.992 190 F HN 0.353 nan 8.300 nan 0.000 0.524 191 N N 2.070 120.526 118.700 -0.406 0.000 2.707 191 N HA -0.258 4.476 4.740 -0.009 0.000 0.253 191 N C -0.596 174.839 175.510 -0.125 0.000 0.998 191 N CA 0.722 53.517 53.050 -0.425 0.000 0.751 191 N CB -0.582 37.711 38.487 -0.324 0.000 0.920 191 N HN 0.394 nan 8.380 nan 0.000 0.539 192 A N 0.368 123.138 122.820 -0.082 0.000 2.893 192 A HA 0.462 4.776 4.320 -0.009 0.000 0.333 192 A C -1.137 176.411 177.584 -0.060 0.000 1.152 192 A CA -0.851 51.166 52.037 -0.034 0.000 0.782 192 A CB 1.102 20.113 19.000 0.019 0.000 1.108 192 A HN 0.269 nan 8.150 nan 0.000 0.469 193 P HA -0.244 nan 4.420 nan 0.000 0.213 193 P C 1.683 178.887 177.300 -0.160 0.000 1.170 193 P CA 1.112 64.133 63.100 -0.131 0.000 0.902 193 P CB 0.067 31.686 31.700 -0.135 0.000 0.789 194 L N -0.462 120.679 121.223 -0.137 0.000 1.978 194 L HA -0.260 4.074 4.340 -0.009 0.000 0.218 194 L C 2.876 179.703 176.870 -0.071 0.000 1.075 194 L CA 2.288 57.055 54.840 -0.122 0.000 0.767 194 L CB -1.709 40.316 42.059 -0.056 0.000 0.890 194 L HN -0.005 nan 8.230 nan 0.000 0.434 195 A N 0.515 123.312 122.820 -0.037 0.000 1.892 195 A HA -0.211 4.103 4.320 -0.009 0.000 0.218 195 A C 2.414 180.013 177.584 0.025 0.000 1.188 195 A CA 2.105 54.142 52.037 -0.000 0.000 0.631 195 A CB -1.447 17.548 19.000 -0.008 0.000 0.822 195 A HN 0.509 nan 8.150 nan 0.000 0.447 196 G N -0.361 108.429 108.800 -0.016 0.000 2.475 196 G HA2 -0.217 3.737 3.960 -0.009 0.000 0.220 196 G HA3 -0.217 3.737 3.960 -0.009 0.000 0.220 196 G C 1.493 176.416 174.900 0.037 0.000 1.125 196 G CA 1.265 46.369 45.100 0.006 0.000 0.755 196 G HN 0.533 nan 8.290 nan 0.000 0.565 197 I N 0.021 120.570 120.570 -0.035 0.000 2.339 197 I HA 0.014 4.179 4.170 -0.009 0.000 0.245 197 I C 2.478 178.618 176.117 0.038 0.000 1.096 197 I CA 0.174 61.458 61.300 -0.026 0.000 1.408 197 I CB -0.154 37.766 38.000 -0.133 0.000 1.092 197 I HN 0.025 nan 8.210 nan 0.000 0.423 198 L N 0.177 121.430 121.223 0.050 0.000 2.187 198 L HA -0.246 4.088 4.340 -0.009 0.000 0.213 198 L C 2.576 179.520 176.870 0.123 0.000 1.100 198 L CA 1.875 56.759 54.840 0.073 0.000 0.765 198 L CB -0.973 41.126 42.059 0.066 0.000 0.904 198 L HN 0.269 nan 8.230 nan 0.000 0.437 199 F N 0.957 120.895 119.950 -0.021 0.000 2.051 199 F HA -0.240 4.282 4.527 -0.009 0.000 0.296 199 F C 2.348 178.134 175.800 -0.022 0.000 1.122 199 F CA 1.208 59.200 58.000 -0.013 0.000 1.201 199 F CB -0.508 38.470 39.000 -0.036 0.000 0.978 199 F HN -0.100 nan 8.300 nan 0.000 0.472 200 I N 1.408 121.876 120.570 -0.169 0.000 2.053 200 I HA -0.307 3.858 4.170 -0.009 0.000 0.236 200 I C 2.321 178.304 176.117 -0.222 0.000 1.038 200 I CA 2.033 63.168 61.300 -0.275 0.000 1.304 200 I CB -1.067 36.862 38.000 -0.118 0.000 1.023 200 I HN 0.367 nan 8.210 nan 0.000 0.395 201 I N -1.423 119.082 120.570 -0.107 0.000 3.551 201 I HA -0.029 4.136 4.170 -0.009 0.000 0.307 201 I C 1.312 177.381 176.117 -0.079 0.000 1.215 201 I CA 1.062 62.311 61.300 -0.085 0.000 1.195 201 I CB -0.528 37.454 38.000 -0.030 0.000 0.998 201 I HN 0.456 nan 8.210 nan 0.000 0.510 202 E N 0.020 120.158 120.200 -0.104 0.000 2.673 202 E HA -0.022 4.323 4.350 -0.009 0.000 0.215 202 E C 0.783 177.319 176.600 -0.106 0.000 0.935 202 E CA 0.205 56.561 56.400 -0.072 0.000 1.341 202 E CB 0.544 30.242 29.700 -0.003 0.000 1.277 202 E HN 0.537 nan 8.360 nan 0.000 0.667 203 E N -0.615 119.455 120.200 -0.217 0.000 3.968 203 E HA 0.158 4.502 4.350 -0.009 0.000 0.219 203 E C 1.551 177.932 176.600 -0.365 0.000 1.310 203 E CA 0.384 56.627 56.400 -0.261 0.000 1.622 203 E CB -0.226 29.331 29.700 -0.239 0.000 1.730 203 E HN -0.024 nan 8.360 nan 0.000 0.629 204 M N 1.869 121.082 119.600 -0.645 0.000 2.151 204 M HA -0.165 4.309 4.480 -0.009 0.000 0.256 204 M C 0.800 176.927 176.300 -0.288 0.000 1.072 204 M CA 1.734 56.742 55.300 -0.487 0.000 1.090 204 M CB -1.820 30.457 32.600 -0.538 0.000 1.294 204 M HN 0.218 nan 8.290 nan 0.000 0.415 205 R N 1.333 121.669 120.500 -0.273 0.000 2.619 205 R HA 0.013 4.347 4.340 -0.009 0.000 0.268 205 R C -2.462 173.714 176.300 -0.207 0.000 0.990 205 R CA -0.860 55.103 56.100 -0.227 0.000 1.092 205 R CB -1.301 28.875 30.300 -0.208 0.000 0.935 205 R HN 0.071 nan 8.270 nan 0.000 0.415 206 P HA -0.080 nan 4.420 nan 0.000 0.250 206 P C -0.356 176.838 177.300 -0.177 0.000 1.161 206 P CA 0.421 63.442 63.100 -0.132 0.000 0.863 206 P CB 0.537 32.165 31.700 -0.120 0.000 0.827 207 Q N 2.199 121.829 119.800 -0.283 0.000 2.500 207 Q HA -0.037 4.297 4.340 -0.009 0.000 0.213 207 Q C 0.371 175.836 176.000 -0.892 0.000 0.974 207 Q CA 1.581 57.006 55.803 -0.629 0.000 0.918 207 Q CB -0.290 27.926 28.738 -0.870 0.000 0.980 207 Q HN 0.475 nan 8.270 nan 0.000 0.505 208 F N -1.439 118.505 119.950 -0.011 0.000 2.767 208 F HA 0.289 4.810 4.527 -0.009 0.000 0.323 208 F C 0.408 176.223 175.800 0.025 0.000 1.091 208 F CA -0.559 57.446 58.000 0.009 0.000 1.192 208 F CB 0.499 39.506 39.000 0.011 0.000 1.056 208 F HN -0.136 nan 8.300 nan 0.000 0.571 209 R N -1.378 119.206 120.500 0.140 0.000 2.867 209 R HA 0.424 4.758 4.340 -0.009 0.000 0.268 209 R C -1.221 175.142 176.300 0.106 0.000 1.014 209 R CA -0.932 55.251 56.100 0.137 0.000 0.946 209 R CB 0.878 31.262 30.300 0.140 0.000 1.208 209 R HN -0.034 nan 8.270 nan 0.000 0.477 210 Y N 1.154 121.479 120.300 0.040 0.000 2.578 210 Y HA 0.171 4.716 4.550 -0.009 0.000 0.339 210 Y C -0.728 175.199 175.900 0.046 0.000 1.231 210 Y CA 1.199 59.317 58.100 0.031 0.000 1.461 210 Y CB 0.981 39.459 38.460 0.031 0.000 1.323 210 Y HN 0.715 nan 8.280 nan 0.000 0.590 211 T N 6.177 120.225 114.554 -0.843 0.000 2.903 211 T HA 0.338 4.683 4.350 -0.009 0.000 0.299 211 T C -0.680 173.700 174.700 -0.533 0.000 1.093 211 T CA -0.832 60.998 62.100 -0.449 0.000 1.002 211 T CB 1.312 70.022 68.868 -0.263 0.000 1.127 211 T HN 0.412 nan 8.240 nan 0.000 0.488 212 L N 1.697 122.866 121.223 -0.090 0.000 2.998 212 L HA 0.404 4.739 4.340 -0.009 0.000 0.234 212 L C -0.219 176.659 176.870 0.013 0.000 1.350 212 L CA 0.339 55.178 54.840 -0.002 0.000 1.202 212 L CB -1.113 40.986 42.059 0.066 0.000 1.583 212 L HN 0.510 nan 8.230 nan 0.000 0.456 213 I N -0.554 119.981 120.570 -0.057 0.000 2.297 213 I HA 0.137 4.301 4.170 -0.009 0.000 0.291 213 I C 0.755 176.862 176.117 -0.018 0.000 1.033 213 I CA -0.130 61.154 61.300 -0.027 0.000 1.253 213 I CB 1.188 39.144 38.000 -0.073 0.000 1.396 213 I HN 0.121 nan 8.210 nan 0.000 0.476 214 S N 6.627 122.335 115.700 0.012 0.000 2.416 214 S HA 0.291 4.756 4.470 -0.009 0.000 0.302 214 S C 1.412 176.029 174.600 0.028 0.000 1.120 214 S CA -0.511 57.701 58.200 0.019 0.000 1.067 214 S CB 0.061 63.276 63.200 0.026 0.000 1.057 214 S HN 0.528 nan 8.310 nan 0.000 0.518 215 I N 4.608 125.193 120.570 0.025 0.000 2.113 215 I HA -0.261 3.903 4.170 -0.009 0.000 0.242 215 I C 2.600 178.770 176.117 0.087 0.000 1.064 215 I CA 1.523 62.861 61.300 0.062 0.000 1.320 215 I CB -0.298 37.727 38.000 0.041 0.000 1.028 215 I HN 0.648 nan 8.210 nan 0.000 0.406 216 K N 1.019 121.419 120.400 0.001 0.000 2.286 216 K HA -0.227 4.087 4.320 -0.009 0.000 0.203 216 K C 1.961 178.598 176.600 0.062 0.000 1.045 216 K CA 1.444 57.714 56.287 -0.028 0.000 0.935 216 K CB -0.022 32.440 32.500 -0.063 0.000 0.737 216 K HN 0.399 nan 8.250 nan 0.000 0.460 217 A N 0.196 123.056 122.820 0.066 0.000 1.903 217 A HA -0.015 4.300 4.320 -0.009 0.000 0.213 217 A C 2.122 179.758 177.584 0.087 0.000 1.185 217 A CA 0.857 52.932 52.037 0.064 0.000 0.628 217 A CB -0.386 18.638 19.000 0.041 0.000 0.830 217 A HN 0.114 nan 8.150 nan 0.000 0.446 218 V N -0.610 119.365 119.914 0.103 0.000 2.215 218 V HA -0.319 3.796 4.120 -0.009 0.000 0.249 218 V C 2.204 178.375 176.094 0.129 0.000 1.054 218 V CA 2.492 64.848 62.300 0.093 0.000 1.012 218 V CB -1.135 30.748 31.823 0.101 0.000 0.639 218 V HN 0.529 nan 8.190 nan 0.000 0.448 219 F N -0.099 119.846 119.950 -0.008 0.000 2.054 219 F HA -0.329 4.193 4.527 -0.009 0.000 0.294 219 F C 2.281 178.075 175.800 -0.008 0.000 1.126 219 F CA 2.445 60.441 58.000 -0.006 0.000 1.226 219 F CB -0.831 38.167 39.000 -0.003 0.000 0.947 219 F HN 0.045 nan 8.300 nan 0.000 0.509 220 I N -0.469 120.229 120.570 0.214 0.000 2.181 220 I HA -0.385 3.779 4.170 -0.009 0.000 0.247 220 I C 2.655 178.793 176.117 0.035 0.000 1.081 220 I CA 1.680 63.040 61.300 0.100 0.000 1.340 220 I CB -1.412 36.628 38.000 0.066 0.000 1.036 220 I HN 0.339 nan 8.210 nan 0.000 0.417 221 G N 0.551 109.363 108.800 0.020 0.000 2.433 221 G HA2 -0.178 3.777 3.960 -0.009 0.000 0.216 221 G HA3 -0.178 3.777 3.960 -0.009 0.000 0.216 221 G C 1.678 176.560 174.900 -0.031 0.000 1.186 221 G CA 1.012 46.102 45.100 -0.017 0.000 0.779 221 G HN 0.244 nan 8.290 nan 0.000 0.543 222 V N 1.421 121.306 119.914 -0.048 0.000 2.220 222 V HA -0.271 3.843 4.120 -0.009 0.000 0.250 222 V C 2.736 178.789 176.094 -0.068 0.000 1.056 222 V CA 1.929 64.176 62.300 -0.089 0.000 1.016 222 V CB -0.659 31.057 31.823 -0.178 0.000 0.639 222 V HN 0.399 nan 8.190 nan 0.000 0.446 223 I N -0.867 119.670 120.570 -0.055 0.000 2.064 223 I HA -0.396 3.768 4.170 -0.009 0.000 0.234 223 I C 2.717 178.835 176.117 0.002 0.000 1.019 223 I CA 2.146 63.436 61.300 -0.016 0.000 1.301 223 I CB -0.458 37.559 38.000 0.028 0.000 1.017 223 I HN 0.293 nan 8.210 nan 0.000 0.392 224 M N 0.641 120.243 119.600 0.003 0.000 2.190 224 M HA -0.301 4.174 4.480 -0.009 0.000 0.252 224 M C 2.615 178.926 176.300 0.018 0.000 1.076 224 M CA 2.657 57.960 55.300 0.005 0.000 1.079 224 M CB -1.951 30.638 32.600 -0.019 0.000 1.303 224 M HN 0.558 nan 8.290 nan 0.000 0.412 225 S N -1.031 114.672 115.700 0.004 0.000 2.348 225 S HA -0.135 4.330 4.470 -0.009 0.000 0.221 225 S C 1.986 176.627 174.600 0.068 0.000 1.033 225 S CA 2.009 60.221 58.200 0.019 0.000 1.010 225 S CB -1.024 62.163 63.200 -0.021 0.000 0.891 225 S HN 0.481 nan 8.310 nan 0.000 0.442 226 T N 2.525 117.102 114.554 0.039 0.000 2.685 226 T HA -0.041 4.304 4.350 -0.009 0.000 0.268 226 T C 1.676 176.466 174.700 0.150 0.000 1.034 226 T CA 1.785 63.935 62.100 0.083 0.000 1.149 226 T CB -0.587 68.296 68.868 0.026 0.000 0.860 226 T HN 0.415 nan 8.240 nan 0.000 0.449 227 I N 0.514 121.142 120.570 0.096 0.000 2.226 227 I HA -0.165 3.999 4.170 -0.009 0.000 0.245 227 I C 2.376 178.570 176.117 0.130 0.000 1.100 227 I CA 0.985 62.340 61.300 0.092 0.000 1.374 227 I CB -0.217 37.815 38.000 0.054 0.000 1.057 227 I HN 0.250 nan 8.210 nan 0.000 0.413 228 M N -0.718 118.971 119.600 0.147 0.000 2.229 228 M HA -0.221 4.253 4.480 -0.009 0.000 0.264 228 M C 2.370 178.851 176.300 0.303 0.000 1.063 228 M CA 1.738 57.166 55.300 0.213 0.000 1.114 228 M CB -1.295 31.390 32.600 0.141 0.000 1.387 228 M HN 0.287 nan 8.290 nan 0.000 0.420 229 Y N 1.179 121.559 120.300 0.133 0.000 2.314 229 Y HA -0.068 4.476 4.550 -0.010 0.000 0.293 229 Y C 2.336 178.352 175.900 0.194 0.000 1.129 229 Y CA 1.457 59.639 58.100 0.138 0.000 1.201 229 Y CB -0.028 38.466 38.460 0.058 0.000 0.999 229 Y HN 0.027 nan 8.280 nan 0.000 0.541 230 R N 0.276 120.871 120.500 0.160 0.000 2.148 230 R HA -0.063 4.272 4.340 -0.009 0.000 0.223 230 R C 2.022 178.351 176.300 0.050 0.000 1.088 230 R CA 0.974 57.117 56.100 0.071 0.000 0.985 230 R CB -0.483 29.880 30.300 0.104 0.000 0.880 230 R HN 0.432 nan 8.270 nan 0.000 0.451 231 I N -0.091 120.522 120.570 0.071 0.000 2.567 231 I HA -0.199 3.966 4.170 -0.009 0.000 0.257 231 I C 1.065 177.031 176.117 -0.250 0.000 1.184 231 I CA 1.473 62.696 61.300 -0.128 0.000 1.451 231 I CB -0.455 37.469 38.000 -0.126 0.000 1.089 231 I HN -0.001 nan 8.210 nan 0.000 0.441 232 F N -0.457 119.507 119.950 0.024 0.000 2.767 232 F HA 0.254 4.775 4.527 -0.010 0.000 0.323 232 F C 1.127 176.807 175.800 -0.200 0.000 1.091 232 F CA -0.165 57.825 58.000 -0.016 0.000 1.192 232 F CB -0.099 38.865 39.000 -0.059 0.000 1.056 232 F HN -0.030 nan 8.300 nan 0.000 0.571 233 N N 0.110 118.687 118.700 -0.206 0.000 2.433 233 N HA 0.065 4.799 4.740 -0.009 0.000 0.270 233 N C -0.460 174.880 175.510 -0.285 0.000 1.354 233 N CA -0.079 52.726 53.050 -0.407 0.000 0.889 233 N CB -0.050 37.922 38.487 -0.859 0.000 1.285 233 N HN 0.411 nan 8.380 nan 0.000 0.503 234 H N -0.070 118.905 119.070 -0.158 0.000 2.679 234 H HA 0.231 4.781 4.556 -0.009 0.000 0.369 234 H C 0.266 175.564 175.328 -0.049 0.000 1.178 234 H CA -0.180 55.816 56.048 -0.085 0.000 1.419 234 H CB 0.436 30.150 29.762 -0.079 0.000 1.458 234 H HN -0.008 nan 8.280 nan 0.000 0.605 235 E N -0.772 119.461 120.200 0.053 0.000 2.476 235 E HA -0.171 4.173 4.350 -0.009 0.000 0.251 235 E C -1.021 175.563 176.600 -0.027 0.000 1.130 235 E CA 0.723 57.130 56.400 0.013 0.000 0.736 235 E CB -1.819 27.898 29.700 0.028 0.000 1.298 235 E HN 0.400 nan 8.360 nan 0.000 0.400 236 V N -0.202 119.701 119.914 -0.019 0.000 2.841 236 V HA 0.384 4.498 4.120 -0.009 0.000 0.258 236 V C 0.310 176.417 176.094 0.021 0.000 0.973 236 V CA -0.187 62.106 62.300 -0.012 0.000 0.921 236 V CB 1.408 33.209 31.823 -0.037 0.000 1.053 236 V HN 0.429 nan 8.190 nan 0.000 0.498 237 A N 3.593 126.425 122.820 0.019 0.000 2.507 237 A HA 0.539 4.854 4.320 -0.009 0.000 0.235 237 A C 1.102 178.680 177.584 -0.009 0.000 1.070 237 A CA 0.199 52.245 52.037 0.016 0.000 0.768 237 A CB 0.385 19.384 19.000 -0.003 0.000 1.011 237 A HN 0.839 nan 8.150 nan 0.000 0.502 238 L N 0.530 121.719 121.223 -0.057 0.000 2.209 238 L HA 0.174 4.508 4.340 -0.009 0.000 0.207 238 L C 0.101 176.845 176.870 -0.210 0.000 1.094 238 L CA 0.925 55.667 54.840 -0.163 0.000 0.790 238 L CB -0.231 41.615 42.059 -0.354 0.000 0.932 238 L HN 0.560 nan 8.230 nan 0.000 0.447 239 I N -0.365 120.104 120.570 -0.169 0.000 2.497 239 I HA 0.223 4.387 4.170 -0.009 0.000 0.284 239 I C -1.259 174.825 176.117 -0.054 0.000 1.060 239 I CA -0.464 60.767 61.300 -0.114 0.000 1.071 239 I CB 2.183 40.098 38.000 -0.142 0.000 1.216 239 I HN -0.138 nan 8.210 nan 0.000 0.442 240 D N 5.621 126.007 120.400 -0.024 0.000 2.308 240 D HA 0.444 5.079 4.640 -0.009 0.000 0.242 240 D C 0.010 176.308 176.300 -0.003 0.000 1.059 240 D CA -0.212 53.782 54.000 -0.011 0.000 0.830 240 D CB 2.617 43.415 40.800 -0.004 0.000 1.161 240 D HN 0.253 nan 8.370 nan 0.000 0.494 241 V N 2.099 122.012 119.914 -0.002 0.000 3.382 241 V HA 0.330 4.445 4.120 -0.009 0.000 0.296 241 V C 1.004 177.102 176.094 0.007 0.000 1.529 241 V CA 0.241 62.544 62.300 0.005 0.000 1.048 241 V CB 0.002 31.829 31.823 0.006 0.000 0.878 241 V HN 0.877 nan 8.190 nan 0.000 0.442 242 G N 2.000 110.803 108.800 0.004 0.000 2.888 242 G HA2 -0.244 3.711 3.960 -0.009 0.000 0.441 242 G HA3 -0.244 3.711 3.960 -0.009 0.000 0.441 242 G C -0.366 174.539 174.900 0.008 0.000 1.461 242 G CA 0.065 45.169 45.100 0.007 0.000 0.897 242 G HN 0.523 nan 8.290 nan 0.000 0.547 243 K N 0.730 121.136 120.400 0.009 0.000 2.310 243 K HA 0.495 4.809 4.320 -0.009 0.000 0.290 243 K C 1.019 177.627 176.600 0.012 0.000 1.077 243 K CA -0.567 55.726 56.287 0.010 0.000 0.922 243 K CB 0.111 32.617 32.500 0.011 0.000 1.057 243 K HN 0.450 nan 8.250 nan 0.000 0.479 244 L N 2.423 123.652 121.223 0.010 0.000 2.470 244 L HA 0.164 4.499 4.340 -0.009 0.000 0.243 244 L C 1.177 178.058 176.870 0.018 0.000 1.227 244 L CA 0.243 55.094 54.840 0.019 0.000 0.824 244 L CB 0.495 42.563 42.059 0.016 0.000 1.175 244 L HN 1.010 nan 8.230 nan 0.000 0.503 245 S N -0.258 115.462 115.700 0.034 0.000 2.562 245 S HA 0.126 4.591 4.470 -0.009 0.000 0.256 245 S C -0.271 174.335 174.600 0.009 0.000 1.248 245 S CA -0.499 57.722 58.200 0.035 0.000 0.988 245 S CB 0.656 63.896 63.200 0.067 0.000 1.035 245 S HN 0.550 nan 8.310 nan 0.000 0.548 246 D N -0.325 120.080 120.400 0.009 0.000 2.449 246 D HA 0.732 5.366 4.640 -0.009 0.000 0.250 246 D C -0.973 175.313 176.300 -0.022 0.000 1.050 246 D CA -0.226 53.760 54.000 -0.024 0.000 1.024 246 D CB 1.602 42.390 40.800 -0.020 0.000 1.218 246 D HN 0.821 nan 8.370 nan 0.000 0.566 247 A N 1.216 123.992 122.820 -0.073 0.000 2.310 247 A HA 0.628 4.943 4.320 -0.009 0.000 0.304 247 A C -2.465 175.080 177.584 -0.064 0.000 1.231 247 A CA -1.203 50.791 52.037 -0.071 0.000 0.799 247 A CB 0.431 19.303 19.000 -0.213 0.000 1.162 247 A HN 0.309 nan 8.150 nan 0.000 0.486 248 P HA 0.213 nan 4.420 nan 0.000 0.272 248 P C 1.047 178.319 177.300 -0.046 0.000 1.230 248 P CA -0.509 62.570 63.100 -0.035 0.000 0.788 248 P CB 0.616 32.301 31.700 -0.025 0.000 0.949 249 L N 1.006 122.207 121.223 -0.038 0.000 2.083 249 L HA -0.169 4.165 4.340 -0.009 0.000 0.209 249 L C 1.790 178.657 176.870 -0.005 0.000 1.083 249 L CA 1.521 56.347 54.840 -0.023 0.000 0.752 249 L CB -0.842 41.206 42.059 -0.019 0.000 0.899 249 L HN 0.529 nan 8.230 nan 0.000 0.433 250 N N -1.439 117.232 118.700 -0.048 0.000 2.571 250 N HA -0.112 4.623 4.740 -0.009 0.000 0.189 250 N C 1.201 176.658 175.510 -0.088 0.000 1.154 250 N CA 0.839 53.851 53.050 -0.063 0.000 0.907 250 N CB -0.390 38.038 38.487 -0.099 0.000 0.977 250 N HN 0.085 nan 8.380 nan 0.000 0.449 251 T N 0.365 114.855 114.554 -0.106 0.000 3.022 251 T HA 0.312 4.656 4.350 -0.009 0.000 0.250 251 T C 1.697 176.446 174.700 0.083 0.000 1.060 251 T CA -0.338 61.688 62.100 -0.124 0.000 1.013 251 T CB 0.211 69.040 68.868 -0.065 0.000 0.982 251 T HN 0.091 nan 8.240 nan 0.000 0.508 252 L N 1.186 122.518 121.223 0.182 0.000 1.989 252 L HA -0.107 4.228 4.340 -0.009 0.000 0.211 252 L C 2.855 179.862 176.870 0.230 0.000 1.071 252 L CA 1.626 56.594 54.840 0.213 0.000 0.749 252 L CB -0.613 41.515 42.059 0.116 0.000 0.890 252 L HN 0.558 nan 8.230 nan 0.000 0.431 253 W N 0.611 121.942 121.300 0.053 0.000 2.296 253 W HA -0.250 4.405 4.660 -0.008 0.000 0.296 253 W C 1.756 178.327 176.519 0.086 0.000 1.220 253 W CA 0.921 58.300 57.345 0.055 0.000 1.223 253 W CB -1.516 27.961 29.460 0.029 0.000 1.139 253 W HN 0.203 nan 8.180 nan 0.000 0.534 254 L N -0.262 120.450 121.223 -0.852 0.000 2.131 254 L HA -0.225 4.110 4.340 -0.009 0.000 0.210 254 L C 2.423 179.112 176.870 -0.302 0.000 1.092 254 L CA 1.576 56.001 54.840 -0.692 0.000 0.759 254 L CB -1.033 40.675 42.059 -0.586 0.000 0.903 254 L HN -0.099 nan 8.230 nan 0.000 0.435 255 Y N -1.131 119.083 120.300 -0.144 0.000 2.544 255 Y HA -0.104 4.441 4.550 -0.009 0.000 0.286 255 Y C 2.021 177.830 175.900 -0.151 0.000 1.141 255 Y CA 0.116 58.112 58.100 -0.174 0.000 1.299 255 Y CB -0.060 38.255 38.460 -0.242 0.000 1.030 255 Y HN 0.080 nan 8.280 nan 0.000 0.543 256 L N 0.231 121.475 121.223 0.034 0.000 2.007 256 L HA -0.106 4.228 4.340 -0.009 0.000 0.205 256 L C 2.017 178.885 176.870 -0.004 0.000 1.073 256 L CA 1.613 56.479 54.840 0.043 0.000 0.744 256 L CB -0.884 41.243 42.059 0.113 0.000 0.898 256 L HN 0.173 nan 8.230 nan 0.000 0.435 257 I N -0.558 119.999 120.570 -0.022 0.000 2.118 257 I HA -0.325 3.839 4.170 -0.009 0.000 0.241 257 I C 2.462 178.448 176.117 -0.218 0.000 1.070 257 I CA 1.639 62.913 61.300 -0.043 0.000 1.327 257 I CB -0.534 37.479 38.000 0.021 0.000 1.034 257 I HN 0.362 nan 8.210 nan 0.000 0.405 258 L N 1.279 122.184 121.223 -0.530 0.000 2.129 258 L HA -0.136 4.198 4.340 -0.009 0.000 0.212 258 L C 2.193 178.978 176.870 -0.141 0.000 1.087 258 L CA 2.180 56.601 54.840 -0.697 0.000 0.757 258 L CB -1.060 40.535 42.059 -0.773 0.000 0.896 258 L HN 0.201 nan 8.230 nan 0.000 0.434 259 G N -0.297 108.457 108.800 -0.076 0.000 2.414 259 G HA2 -0.217 3.737 3.960 -0.009 0.000 0.215 259 G HA3 -0.217 3.737 3.960 -0.009 0.000 0.215 259 G C 1.605 176.545 174.900 0.066 0.000 1.188 259 G CA 0.967 46.074 45.100 0.012 0.000 0.783 259 G HN 0.459 nan 8.290 nan 0.000 0.537 260 I N 0.841 121.434 120.570 0.039 0.000 2.145 260 I HA -0.251 3.913 4.170 -0.009 0.000 0.244 260 I C 2.713 178.877 176.117 0.078 0.000 1.075 260 I CA 1.079 62.418 61.300 0.065 0.000 1.332 260 I CB -0.269 37.774 38.000 0.071 0.000 1.033 260 I HN 0.173 nan 8.210 nan 0.000 0.410 261 I N -0.183 120.414 120.570 0.044 0.000 2.163 261 I HA -0.320 3.845 4.170 -0.009 0.000 0.243 261 I C 2.383 178.532 176.117 0.053 0.000 1.085 261 I CA 1.722 63.035 61.300 0.023 0.000 1.347 261 I CB -0.437 37.523 38.000 -0.066 0.000 1.044 261 I HN 0.084 nan 8.210 nan 0.000 0.408 262 F N 1.115 121.058 119.950 -0.012 0.000 2.333 262 F HA -0.111 4.410 4.527 -0.009 0.000 0.300 262 F C 2.399 178.233 175.800 0.056 0.000 1.083 262 F CA 1.290 59.312 58.000 0.037 0.000 1.395 262 F CB -0.564 38.417 39.000 -0.032 0.000 1.056 262 F HN 0.025 nan 8.300 nan 0.000 0.529 263 G N 0.640 109.558 108.800 0.197 0.000 2.404 263 G HA2 -0.226 3.728 3.960 -0.009 0.000 0.215 263 G HA3 -0.226 3.728 3.960 -0.009 0.000 0.215 263 G C 1.651 176.604 174.900 0.087 0.000 1.174 263 G CA 0.983 46.149 45.100 0.109 0.000 0.780 263 G HN 0.526 nan 8.290 nan 0.000 0.537 264 I N -3.092 117.539 120.570 0.102 0.000 2.876 264 I HA 0.293 4.458 4.170 -0.009 0.000 0.264 264 I C 2.266 178.423 176.117 0.068 0.000 1.204 264 I CA 0.626 61.976 61.300 0.083 0.000 1.485 264 I CB -0.106 37.953 38.000 0.098 0.000 1.103 264 I HN 0.060 nan 8.210 nan 0.000 0.446 265 F N 2.411 122.342 119.950 -0.032 0.000 2.569 265 F HA 0.367 4.889 4.527 -0.007 0.000 0.295 265 F C 2.190 177.946 175.800 -0.074 0.000 1.115 265 F CA 0.712 58.662 58.000 -0.083 0.000 1.450 265 F CB -0.202 38.722 39.000 -0.127 0.000 1.107 265 F HN 0.044 nan 8.300 nan 0.000 0.563 266 G N 1.220 109.996 108.800 -0.041 0.000 2.421 266 G HA2 -0.196 3.759 3.960 -0.009 0.000 0.216 266 G HA3 -0.196 3.759 3.960 -0.009 0.000 0.216 266 G C -0.784 174.020 174.900 -0.161 0.000 1.171 266 G CA 0.907 45.972 45.100 -0.058 0.000 0.775 266 G HN 0.298 nan 8.290 nan 0.000 0.543 267 P HA -0.002 nan 4.420 nan 0.000 0.214 267 P C 1.987 179.117 177.300 -0.283 0.000 1.162 267 P CA 0.602 63.613 63.100 -0.148 0.000 0.874 267 P CB -0.071 31.578 31.700 -0.084 0.000 0.784 268 I N -1.714 118.609 120.570 -0.411 0.000 2.185 268 I HA -0.296 3.868 4.170 -0.009 0.000 0.246 268 I C 2.250 177.643 176.117 -1.207 0.000 1.088 268 I CA 1.653 62.557 61.300 -0.659 0.000 1.347 268 I CB -0.696 36.913 38.000 -0.651 0.000 1.041 268 I HN -0.121 nan 8.210 nan 0.000 0.415 269 F N 1.680 120.831 119.950 -1.332 0.000 2.269 269 F HA -0.181 4.341 4.527 -0.009 0.000 0.301 269 F C 2.075 177.574 175.800 -0.503 0.000 1.082 269 F CA 1.657 58.993 58.000 -1.107 0.000 1.360 269 F CB -0.555 37.932 39.000 -0.854 0.000 1.041 269 F HN 0.083 nan 8.300 nan 0.000 0.512 270 N N -0.123 118.342 118.700 -0.391 0.000 2.142 270 N HA -0.172 4.563 4.740 -0.009 0.000 0.186 270 N C 1.718 177.121 175.510 -0.179 0.000 1.023 270 N CA 1.064 53.987 53.050 -0.211 0.000 0.852 270 N CB -0.013 38.415 38.487 -0.099 0.000 0.998 270 N HN 0.284 nan 8.380 nan 0.000 0.424 271 K N 0.220 120.514 120.400 -0.177 0.000 2.002 271 K HA -0.152 4.163 4.320 -0.009 0.000 0.209 271 K C 1.739 178.411 176.600 0.119 0.000 1.048 271 K CA 1.299 57.587 56.287 0.001 0.000 0.930 271 K CB -0.170 32.380 32.500 0.085 0.000 0.714 271 K HN 0.279 nan 8.250 nan 0.000 0.438 272 W N 0.531 121.698 121.300 -0.222 0.000 2.338 272 W HA -0.134 4.519 4.660 -0.011 0.000 0.304 272 W C 2.203 178.571 176.519 -0.252 0.000 1.212 272 W CA 0.100 57.304 57.345 -0.235 0.000 1.264 272 W CB -1.386 27.896 29.460 -0.296 0.000 1.142 272 W HN -0.053 nan 8.180 nan 0.000 0.512 273 V N 0.734 120.553 119.914 -0.158 0.000 2.407 273 V HA -0.240 3.874 4.120 -0.009 0.000 0.248 273 V C 1.993 178.090 176.094 0.006 0.000 1.055 273 V CA 1.763 64.004 62.300 -0.099 0.000 1.049 273 V CB -0.423 31.320 31.823 -0.134 0.000 0.662 273 V HN 0.118 nan 8.190 nan 0.000 0.455 274 L N 0.266 121.489 121.223 -0.001 0.000 1.993 274 L HA 0.104 4.438 4.340 -0.009 0.000 0.206 274 L C 2.811 179.688 176.870 0.012 0.000 1.074 274 L CA 1.677 56.524 54.840 0.011 0.000 0.746 274 L CB -1.481 40.585 42.059 0.012 0.000 0.896 274 L HN 0.422 nan 8.230 nan 0.000 0.435 275 G N -0.088 108.727 108.800 0.025 0.000 2.513 275 G HA2 -0.384 3.571 3.960 -0.009 0.000 0.219 275 G HA3 -0.384 3.571 3.960 -0.009 0.000 0.219 275 G C 1.564 176.464 174.900 -0.000 0.000 1.160 275 G CA 1.309 46.419 45.100 0.016 0.000 0.767 275 G HN 0.204 nan 8.290 nan 0.000 0.571 276 M N 0.150 119.754 119.600 0.007 0.000 2.374 276 M HA 0.059 4.533 4.480 -0.009 0.000 0.264 276 M C 2.414 178.721 176.300 0.010 0.000 1.067 276 M CA 1.282 56.582 55.300 -0.001 0.000 1.103 276 M CB -0.191 32.419 32.600 0.017 0.000 1.402 276 M HN 0.377 nan 8.290 nan 0.000 0.444 277 Q N -0.337 119.471 119.800 0.013 0.000 2.167 277 Q HA -0.182 4.153 4.340 -0.009 0.000 0.202 277 Q C 0.997 177.011 176.000 0.023 0.000 0.970 277 Q CA 1.574 57.388 55.803 0.017 0.000 0.855 277 Q CB 0.113 28.845 28.738 -0.011 0.000 0.911 277 Q HN 0.556 nan 8.270 nan 0.000 0.438 278 D N 0.228 120.630 120.400 0.003 0.000 2.214 278 D HA -0.116 4.518 4.640 -0.009 0.000 0.217 278 D C 1.818 178.110 176.300 -0.014 0.000 0.973 278 D CA 0.415 54.419 54.000 0.006 0.000 0.880 278 D CB -0.393 40.403 40.800 -0.007 0.000 1.031 278 D HN 0.213 nan 8.370 nan 0.000 0.468 279 L N 0.754 121.953 121.223 -0.040 0.000 2.270 279 L HA -0.141 4.193 4.340 -0.009 0.000 0.217 279 L C 1.936 178.731 176.870 -0.124 0.000 1.107 279 L CA 0.819 55.614 54.840 -0.075 0.000 0.772 279 L CB 0.016 42.035 42.059 -0.067 0.000 0.902 279 L HN 0.011 nan 8.230 nan 0.000 0.439 280 L N -1.956 119.201 121.223 -0.110 0.000 2.529 280 L HA -0.075 4.259 4.340 -0.009 0.000 0.223 280 L C 2.002 178.581 176.870 -0.485 0.000 1.113 280 L CA -0.016 54.708 54.840 -0.192 0.000 0.861 280 L CB -0.219 41.828 42.059 -0.020 0.000 1.012 280 L HN 0.276 nan 8.230 nan 0.000 0.461 281 H N 0.377 119.193 119.070 -0.423 0.000 2.482 281 H HA 0.012 4.562 4.556 -0.009 0.000 0.286 281 H C 2.247 177.217 175.328 -0.598 0.000 1.017 281 H CA 1.190 56.943 56.048 -0.493 0.000 1.322 281 H CB 0.319 29.982 29.762 -0.166 0.000 1.426 281 H HN 0.092 nan 8.280 nan 0.000 0.546 282 R N -0.491 119.743 120.500 -0.444 0.000 2.061 282 R HA -0.078 4.257 4.340 -0.009 0.000 0.230 282 R C 2.282 178.292 176.300 -0.485 0.000 1.140 282 R CA 1.471 57.342 56.100 -0.383 0.000 0.940 282 R CB -0.584 29.584 30.300 -0.219 0.000 0.839 282 R HN 0.125 nan 8.270 nan 0.000 0.429 283 V N 1.636 121.244 119.914 -0.509 0.000 2.357 283 V HA -0.299 3.816 4.120 -0.009 0.000 0.257 283 V C 1.865 177.708 176.094 -0.418 0.000 1.082 283 V CA 2.481 64.525 62.300 -0.428 0.000 1.078 283 V CB -0.884 30.710 31.823 -0.382 0.000 0.663 283 V HN 0.613 nan 8.190 nan 0.000 0.455 284 H N -2.048 116.788 119.070 -0.389 0.000 3.046 284 H HA 0.475 5.025 4.556 -0.009 0.000 0.262 284 H C 1.620 176.707 175.328 -0.402 0.000 1.044 284 H CA 0.030 55.852 56.048 -0.376 0.000 1.209 284 H CB -0.443 29.019 29.762 -0.500 0.000 1.507 284 H HN 0.294 nan 8.280 nan 0.000 0.507 285 G N 0.838 109.358 108.800 -0.466 0.000 2.380 285 G HA2 -0.126 3.829 3.960 -0.009 0.000 0.298 285 G HA3 -0.126 3.829 3.960 -0.009 0.000 0.298 285 G C 1.302 175.992 174.900 -0.351 0.000 0.989 285 G CA 1.087 45.893 45.100 -0.490 0.000 0.836 285 G HN 1.579 nan 8.290 nan 0.000 0.511 286 G N -1.508 107.153 108.800 -0.232 0.000 2.176 286 G HA2 -0.222 3.732 3.960 -0.009 0.000 0.232 286 G HA3 -0.222 3.732 3.960 -0.009 0.000 0.232 286 G C 0.104 175.081 174.900 0.128 0.000 0.986 286 G CA 0.657 45.785 45.100 0.046 0.000 0.643 286 G HN 1.605 nan 8.290 nan 0.000 0.522 287 N N 0.527 119.270 118.700 0.071 0.000 2.408 287 N HA 0.481 5.215 4.740 -0.009 0.000 0.257 287 N C 1.559 177.171 175.510 0.169 0.000 1.064 287 N CA 0.007 53.113 53.050 0.093 0.000 0.952 287 N CB 0.528 39.039 38.487 0.039 0.000 1.093 287 N HN 0.236 nan 8.380 nan 0.000 0.490 288 I N 2.565 123.235 120.570 0.166 0.000 2.236 288 I HA -0.352 3.812 4.170 -0.009 0.000 0.249 288 I C 1.050 177.251 176.117 0.140 0.000 1.102 288 I CA 1.540 62.945 61.300 0.176 0.000 1.365 288 I CB 0.087 38.161 38.000 0.123 0.000 1.051 288 I HN 0.607 nan 8.210 nan 0.000 0.420 289 T N -0.030 114.571 114.554 0.078 0.000 3.014 289 T HA -0.055 4.290 4.350 -0.009 0.000 0.263 289 T C 1.714 176.446 174.700 0.054 0.000 1.078 289 T CA 0.778 62.900 62.100 0.035 0.000 1.135 289 T CB 0.001 68.868 68.868 -0.001 0.000 0.895 289 T HN 0.363 nan 8.240 nan 0.000 0.480 290 K N -0.265 120.182 120.400 0.078 0.000 2.305 290 K HA 0.035 4.349 4.320 -0.009 0.000 0.199 290 K C 1.778 178.452 176.600 0.124 0.000 1.047 290 K CA 0.259 56.586 56.287 0.068 0.000 0.976 290 K CB 0.109 32.634 32.500 0.042 0.000 0.765 290 K HN 0.278 nan 8.250 nan 0.000 0.474 291 W N 1.130 122.405 121.300 -0.042 0.000 2.474 291 W HA -0.075 4.579 4.660 -0.010 0.000 0.319 291 W C 1.823 178.223 176.519 -0.198 0.000 1.165 291 W CA 0.462 57.695 57.345 -0.186 0.000 1.356 291 W CB -0.736 28.535 29.460 -0.315 0.000 1.172 291 W HN -0.287 nan 8.180 nan 0.000 0.478 292 V N 1.559 121.583 119.914 0.183 0.000 2.313 292 V HA -0.346 3.769 4.120 -0.009 0.000 0.253 292 V C 2.387 178.474 176.094 -0.010 0.000 1.070 292 V CA 2.074 64.413 62.300 0.065 0.000 1.057 292 V CB -1.059 30.786 31.823 0.036 0.000 0.653 292 V HN 0.141 nan 8.190 nan 0.000 0.450 293 L N -1.502 119.726 121.223 0.010 0.000 2.179 293 L HA -0.094 4.241 4.340 -0.009 0.000 0.208 293 L C 2.349 179.208 176.870 -0.018 0.000 1.096 293 L CA 1.396 56.238 54.840 0.003 0.000 0.779 293 L CB -0.382 41.685 42.059 0.014 0.000 0.922 293 L HN 0.350 nan 8.230 nan 0.000 0.443 294 M N -0.361 119.223 119.600 -0.026 0.000 2.492 294 M HA -0.032 4.442 4.480 -0.009 0.000 0.262 294 M C 1.843 178.046 176.300 -0.161 0.000 1.090 294 M CA 1.272 56.550 55.300 -0.038 0.000 1.110 294 M CB -0.107 32.505 32.600 0.021 0.000 1.407 294 M HN 0.244 nan 8.290 nan 0.000 0.470 295 G N -0.472 108.067 108.800 -0.435 0.000 2.425 295 G HA2 -0.073 3.881 3.960 -0.009 0.000 0.213 295 G HA3 -0.073 3.881 3.960 -0.009 0.000 0.213 295 G C 1.361 176.121 174.900 -0.234 0.000 1.201 295 G CA 0.583 45.100 45.100 -0.972 0.000 0.799 295 G HN 0.547 nan 8.290 nan 0.000 0.534 296 G N 1.040 109.778 108.800 -0.103 0.000 2.499 296 G HA2 0.028 3.982 3.960 -0.009 0.000 0.221 296 G HA3 0.028 3.982 3.960 -0.009 0.000 0.221 296 G C 1.867 176.726 174.900 -0.068 0.000 1.109 296 G CA 1.631 46.731 45.100 0.001 0.000 0.749 296 G HN 0.659 nan 8.290 nan 0.000 0.568 297 A N 0.914 123.712 122.820 -0.036 0.000 1.840 297 A HA 0.136 4.450 4.320 -0.009 0.000 0.214 297 A C 2.364 179.894 177.584 -0.090 0.000 1.198 297 A CA 1.178 53.223 52.037 0.013 0.000 0.608 297 A CB -0.300 18.747 19.000 0.078 0.000 0.839 297 A HN 0.340 nan 8.150 nan 0.000 0.443 298 I N 0.006 120.557 120.570 -0.032 0.000 2.226 298 I HA -0.172 3.992 4.170 -0.009 0.000 0.245 298 I C 2.688 178.777 176.117 -0.046 0.000 1.100 298 I CA 1.011 62.314 61.300 0.004 0.000 1.374 298 I CB -0.875 37.179 38.000 0.089 0.000 1.057 298 I HN 0.382 nan 8.210 nan 0.000 0.413 299 G N 1.130 109.910 108.800 -0.033 0.000 2.514 299 G HA2 -0.238 3.716 3.960 -0.009 0.000 0.217 299 G HA3 -0.238 3.716 3.960 -0.009 0.000 0.217 299 G C 1.752 176.504 174.900 -0.246 0.000 1.198 299 G CA 0.982 46.053 45.100 -0.048 0.000 0.780 299 G HN 0.489 nan 8.290 nan 0.000 0.565 300 G N 0.696 109.145 108.800 -0.585 0.000 2.442 300 G HA2 -0.151 3.803 3.960 -0.009 0.000 0.219 300 G HA3 -0.151 3.803 3.960 -0.009 0.000 0.219 300 G C 1.774 176.168 174.900 -0.842 0.000 1.141 300 G CA 1.133 45.525 45.100 -1.180 0.000 0.763 300 G HN 0.496 nan 8.290 nan 0.000 0.554 301 L N 0.456 121.369 121.223 -0.516 0.000 2.079 301 L HA -0.039 4.296 4.340 -0.009 0.000 0.210 301 L C 2.602 179.458 176.870 -0.022 0.000 1.081 301 L CA 1.624 56.412 54.840 -0.087 0.000 0.752 301 L CB -0.810 41.257 42.059 0.013 0.000 0.896 301 L HN 0.231 nan 8.230 nan 0.000 0.433 302 C N -0.044 119.223 119.300 -0.054 0.000 2.486 302 C HA 0.097 4.552 4.460 -0.009 0.000 0.279 302 C C 2.727 177.725 174.990 0.013 0.000 1.302 302 C CA 0.485 59.505 59.018 0.004 0.000 1.720 302 C CB -1.761 25.987 27.740 0.014 0.000 2.030 302 C HN 0.738 nan 8.230 nan 0.000 0.490 303 G N 0.079 108.858 108.800 -0.035 0.000 2.498 303 G HA2 -0.142 3.812 3.960 -0.009 0.000 0.219 303 G HA3 -0.142 3.812 3.960 -0.009 0.000 0.219 303 G C 1.489 176.412 174.900 0.039 0.000 1.119 303 G CA 0.794 45.890 45.100 -0.007 0.000 0.766 303 G HN 0.501 nan 8.290 nan 0.000 0.552 304 L N -0.156 121.100 121.223 0.055 0.000 2.071 304 L HA 0.326 4.660 4.340 -0.009 0.000 0.201 304 L C 2.588 179.557 176.870 0.165 0.000 1.076 304 L CA 0.970 55.877 54.840 0.112 0.000 0.755 304 L CB -0.337 41.821 42.059 0.164 0.000 0.915 304 L HN 0.110 nan 8.230 nan 0.000 0.445 305 L N 0.135 121.443 121.223 0.142 0.000 2.261 305 L HA -0.099 4.235 4.340 -0.009 0.000 0.216 305 L C 1.410 178.378 176.870 0.162 0.000 1.114 305 L CA 0.806 55.739 54.840 0.155 0.000 0.777 305 L CB -0.962 41.172 42.059 0.125 0.000 0.910 305 L HN 0.498 nan 8.230 nan 0.000 0.440 306 G N -1.984 106.908 108.800 0.153 0.000 3.541 306 G HA2 0.157 4.111 3.960 -0.009 0.000 0.253 306 G HA3 0.157 4.111 3.960 -0.009 0.000 0.253 306 G C 0.140 175.190 174.900 0.249 0.000 1.017 306 G CA -0.100 45.091 45.100 0.153 0.000 1.832 306 G HN 0.366 nan 8.290 nan 0.000 0.649 307 F N -0.023 119.966 119.950 0.064 0.000 2.995 307 F HA -0.022 4.502 4.527 -0.006 0.000 0.435 307 F C 1.019 176.872 175.800 0.088 0.000 0.965 307 F CA 0.510 58.548 58.000 0.063 0.000 0.717 307 F CB 0.244 39.266 39.000 0.036 0.000 1.625 307 F HN 0.203 nan 8.300 nan 0.000 0.495 308 V N -0.879 119.147 119.914 0.187 0.000 3.346 308 V HA 0.899 5.013 4.120 -0.009 0.000 0.309 308 V C 0.326 176.489 176.094 0.116 0.000 1.457 308 V CA 0.518 62.911 62.300 0.155 0.000 1.069 308 V CB 0.245 32.222 31.823 0.257 0.000 0.944 308 V HN 0.941 nan 8.190 nan 0.000 0.449 309 A N -0.023 122.868 122.820 0.117 0.000 1.767 309 A HA 0.407 4.721 4.320 -0.009 0.000 0.235 309 A C -2.037 175.639 177.584 0.153 0.000 2.571 309 A CA 0.173 52.303 52.037 0.155 0.000 2.114 309 A CB -0.831 18.321 19.000 0.252 0.000 0.383 309 A HN 0.262 nan 8.150 nan 0.000 0.963 310 P HA -0.170 nan 4.420 nan 0.000 0.217 310 P C 1.742 179.103 177.300 0.102 0.000 1.148 310 P CA 2.013 65.177 63.100 0.108 0.000 0.828 310 P CB 0.242 31.999 31.700 0.094 0.000 0.783 311 A N -0.767 122.120 122.820 0.112 0.000 2.272 311 A HA -0.145 4.169 4.320 -0.009 0.000 0.213 311 A C 1.899 179.490 177.584 0.011 0.000 1.183 311 A CA 2.051 54.128 52.037 0.067 0.000 0.719 311 A CB -1.465 17.540 19.000 0.009 0.000 0.771 311 A HN 0.380 nan 8.150 nan 0.000 0.484 312 T N -5.097 109.475 114.554 0.030 0.000 2.971 312 T HA 0.302 4.647 4.350 -0.009 0.000 0.252 312 T C 0.988 175.698 174.700 0.016 0.000 1.022 312 T CA 0.658 62.742 62.100 -0.027 0.000 0.980 312 T CB -0.046 68.791 68.868 -0.051 0.000 1.044 312 T HN 0.261 nan 8.240 nan 0.000 0.501 313 S N -0.171 115.559 115.700 0.049 0.000 2.623 313 S HA 0.670 5.134 4.470 -0.009 0.000 0.287 313 S C 0.958 175.585 174.600 0.045 0.000 1.123 313 S CA 0.333 58.565 58.200 0.052 0.000 1.016 313 S CB 0.511 63.752 63.200 0.068 0.000 1.233 313 S HN 1.317 nan 8.310 nan 0.000 0.512 314 G N -0.034 108.791 108.800 0.042 0.000 2.990 314 G HA2 -0.123 3.831 3.960 -0.009 0.000 0.424 314 G HA3 -0.123 3.831 3.960 -0.009 0.000 0.424 314 G C 1.013 175.914 174.900 0.002 0.000 1.484 314 G CA 0.091 45.208 45.100 0.029 0.000 0.986 314 G HN 1.591 nan 8.290 nan 0.000 0.557 315 G N -0.727 108.055 108.800 -0.030 0.000 2.624 315 G HA2 0.224 4.179 3.960 -0.009 0.000 0.221 315 G HA3 0.224 4.179 3.960 -0.009 0.000 0.221 315 G C 2.123 176.925 174.900 -0.162 0.000 1.169 315 G CA 2.786 47.806 45.100 -0.133 0.000 0.771 315 G HN 2.791 nan 8.290 nan 0.000 0.598 316 G N -1.523 107.240 108.800 -0.062 0.000 2.284 316 G HA2 -0.220 3.734 3.960 -0.009 0.000 0.201 316 G HA3 -0.220 3.734 3.960 -0.009 0.000 0.201 316 G C 1.198 176.182 174.900 0.141 0.000 0.998 316 G CA 0.549 45.654 45.100 0.008 0.000 0.651 316 G HN 0.422 nan 8.290 nan 0.000 0.489 317 F N 1.772 121.779 119.950 0.095 0.000 2.043 317 F HA -0.193 4.327 4.527 -0.010 0.000 0.297 317 F C 2.716 178.570 175.800 0.090 0.000 1.121 317 F CA 1.445 59.502 58.000 0.095 0.000 1.199 317 F CB -0.235 38.828 39.000 0.106 0.000 0.968 317 F HN 0.134 nan 8.300 nan 0.000 0.478 318 N N 1.116 119.999 118.700 0.306 0.000 2.182 318 N HA -0.215 4.519 4.740 -0.009 0.000 0.192 318 N C 1.561 177.186 175.510 0.193 0.000 1.007 318 N CA 1.815 54.987 53.050 0.203 0.000 0.873 318 N CB -0.776 37.810 38.487 0.166 0.000 0.998 318 N HN 0.433 nan 8.380 nan 0.000 0.436 319 L N -2.593 118.761 121.223 0.218 0.000 2.529 319 L HA 0.342 4.676 4.340 -0.009 0.000 0.223 319 L C 1.729 178.754 176.870 0.258 0.000 1.113 319 L CA 0.451 55.455 54.840 0.273 0.000 0.861 319 L CB -0.258 41.972 42.059 0.285 0.000 1.012 319 L HN -0.091 nan 8.230 nan 0.000 0.461 320 I N 0.720 121.413 120.570 0.205 0.000 2.127 320 I HA -0.142 4.023 4.170 -0.009 0.000 0.241 320 I C -0.083 176.113 176.117 0.131 0.000 1.075 320 I CA 1.395 62.794 61.300 0.165 0.000 1.334 320 I CB -1.683 36.409 38.000 0.154 0.000 1.040 320 I HN 0.244 nan 8.210 nan 0.000 0.405 321 P HA -0.215 nan 4.420 nan 0.000 0.214 321 P C 1.888 179.210 177.300 0.037 0.000 1.169 321 P CA 1.831 64.965 63.100 0.057 0.000 0.908 321 P CB -0.078 31.650 31.700 0.046 0.000 0.791 322 I N -1.101 119.484 120.570 0.026 0.000 2.194 322 I HA -0.306 3.858 4.170 -0.009 0.000 0.246 322 I C 2.323 178.379 176.117 -0.102 0.000 1.093 322 I CA 1.756 62.984 61.300 -0.120 0.000 1.355 322 I CB -1.025 36.830 38.000 -0.241 0.000 1.046 322 I HN -0.062 nan 8.210 nan 0.000 0.413 323 A N 0.997 123.919 122.820 0.170 0.000 1.858 323 A HA -0.191 4.123 4.320 -0.009 0.000 0.216 323 A C 2.411 180.080 177.584 0.142 0.000 1.190 323 A CA 2.475 54.683 52.037 0.287 0.000 0.617 323 A CB -1.244 17.945 19.000 0.316 0.000 0.827 323 A HN 0.428 nan 8.150 nan 0.000 0.443 324 T N 0.678 115.296 114.554 0.106 0.000 2.778 324 T HA -0.087 4.257 4.350 -0.009 0.000 0.269 324 T C 1.945 176.681 174.700 0.061 0.000 1.050 324 T CA 1.530 63.681 62.100 0.084 0.000 1.137 324 T CB -0.447 68.460 68.868 0.065 0.000 0.860 324 T HN 0.602 nan 8.240 nan 0.000 0.468 325 A N 0.711 123.547 122.820 0.027 0.000 2.168 325 A HA 0.457 4.772 4.320 -0.009 0.000 0.215 325 A C 1.977 179.560 177.584 -0.002 0.000 1.152 325 A CA 0.861 52.899 52.037 0.002 0.000 0.716 325 A CB -0.960 18.020 19.000 -0.035 0.000 0.794 325 A HN 0.938 nan 8.150 nan 0.000 0.465 326 G N -0.511 108.297 108.800 0.013 0.000 2.198 326 G HA2 -0.282 3.673 3.960 -0.009 0.000 0.257 326 G HA3 -0.282 3.673 3.960 -0.009 0.000 0.257 326 G C 0.369 175.253 174.900 -0.027 0.000 1.042 326 G CA 0.494 45.605 45.100 0.018 0.000 0.791 326 G HN 0.642 nan 8.290 nan 0.000 0.502 327 N N -1.335 117.296 118.700 -0.115 0.000 2.424 327 N HA 0.203 4.938 4.740 -0.009 0.000 0.178 327 N C 0.252 175.624 175.510 -0.229 0.000 1.060 327 N CA 0.019 52.936 53.050 -0.222 0.000 0.901 327 N CB 0.156 38.416 38.487 -0.379 0.000 0.979 327 N HN 0.361 nan 8.380 nan 0.000 0.451 328 F N 0.951 120.916 119.950 0.025 0.000 2.403 328 F HA 0.269 4.787 4.527 -0.015 0.000 0.326 328 F C 1.056 176.866 175.800 0.017 0.000 1.081 328 F CA -1.284 56.733 58.000 0.029 0.000 1.041 328 F CB 0.967 39.993 39.000 0.044 0.000 1.234 328 F HN -0.183 nan 8.300 nan 0.000 0.503 329 S N 1.261 117.107 115.700 0.243 0.000 2.713 329 S HA 0.325 4.790 4.470 -0.009 0.000 0.283 329 S C 0.923 175.579 174.600 0.094 0.000 1.161 329 S CA -0.762 57.510 58.200 0.119 0.000 0.999 329 S CB 1.134 64.385 63.200 0.085 0.000 1.039 329 S HN 0.711 nan 8.310 nan 0.000 0.548 330 M N 2.170 121.797 119.600 0.044 0.000 2.082 330 M HA 0.038 4.512 4.480 -0.009 0.000 0.258 330 M C 1.903 178.224 176.300 0.035 0.000 1.069 330 M CA 2.351 57.663 55.300 0.020 0.000 1.102 330 M CB -1.552 31.043 32.600 -0.009 0.000 1.336 330 M HN 0.936 nan 8.290 nan 0.000 0.404 331 G N -0.192 108.633 108.800 0.042 0.000 2.511 331 G HA2 -0.298 3.656 3.960 -0.009 0.000 0.216 331 G HA3 -0.298 3.656 3.960 -0.009 0.000 0.216 331 G C 1.460 176.416 174.900 0.092 0.000 1.218 331 G CA 1.311 46.444 45.100 0.056 0.000 0.788 331 G HN 0.506 nan 8.290 nan 0.000 0.560 332 M N 0.516 120.169 119.600 0.089 0.000 2.192 332 M HA 0.005 4.479 4.480 -0.009 0.000 0.259 332 M C 2.286 178.610 176.300 0.041 0.000 1.071 332 M CA 1.096 56.458 55.300 0.102 0.000 1.082 332 M CB -0.495 32.175 32.600 0.115 0.000 1.373 332 M HN 0.251 nan 8.290 nan 0.000 0.408 333 L N -1.801 119.431 121.223 0.016 0.000 1.937 333 L HA -0.240 4.095 4.340 -0.009 0.000 0.213 333 L C 2.243 179.120 176.870 0.011 0.000 1.077 333 L CA 1.488 56.302 54.840 -0.044 0.000 0.758 333 L CB -1.174 40.874 42.059 -0.018 0.000 0.888 333 L HN 0.098 nan 8.230 nan 0.000 0.433 334 V N 0.213 120.158 119.914 0.053 0.000 2.242 334 V HA -0.426 3.689 4.120 -0.009 0.000 0.257 334 V C 2.221 178.404 176.094 0.148 0.000 1.073 334 V CA 2.673 65.044 62.300 0.118 0.000 1.058 334 V CB -0.873 31.015 31.823 0.108 0.000 0.664 334 V HN 0.461 nan 8.190 nan 0.000 0.451 335 F N 0.551 120.519 119.950 0.030 0.000 2.043 335 F HA -0.269 4.256 4.527 -0.005 0.000 0.297 335 F C 2.229 178.043 175.800 0.022 0.000 1.118 335 F CA 2.371 60.383 58.000 0.020 0.000 1.202 335 F CB -0.356 38.640 39.000 -0.006 0.000 0.965 335 F HN 0.085 nan 8.300 nan 0.000 0.482 336 I N -0.551 119.824 120.570 -0.326 0.000 2.315 336 I HA -0.315 3.849 4.170 -0.009 0.000 0.251 336 I C 2.293 178.290 176.117 -0.200 0.000 1.125 336 I CA 1.160 62.223 61.300 -0.396 0.000 1.392 336 I CB -0.716 37.136 38.000 -0.246 0.000 1.065 336 I HN 0.262 nan 8.210 nan 0.000 0.424 337 F N 1.615 121.413 119.950 -0.252 0.000 2.014 337 F HA -0.206 4.315 4.527 -0.010 0.000 0.295 337 F C 2.442 178.155 175.800 -0.146 0.000 1.145 337 F CA 1.691 59.584 58.000 -0.179 0.000 1.178 337 F CB -0.918 37.991 39.000 -0.153 0.000 0.972 337 F HN -0.224 nan 8.300 nan 0.000 0.476 338 V N 0.871 120.659 119.914 -0.209 0.000 2.252 338 V HA -0.360 3.754 4.120 -0.009 0.000 0.249 338 V C 2.779 178.739 176.094 -0.224 0.000 1.056 338 V CA 2.240 64.388 62.300 -0.253 0.000 1.022 338 V CB -1.775 29.982 31.823 -0.110 0.000 0.641 338 V HN 0.517 nan 8.190 nan 0.000 0.445 339 A N -0.505 122.110 122.820 -0.342 0.000 1.948 339 A HA -0.260 4.054 4.320 -0.009 0.000 0.220 339 A C 2.386 179.861 177.584 -0.181 0.000 1.177 339 A CA 2.041 53.880 52.037 -0.330 0.000 0.636 339 A CB -0.499 18.067 19.000 -0.723 0.000 0.815 339 A HN 0.534 nan 8.150 nan 0.000 0.449 340 R N -0.915 119.482 120.500 -0.172 0.000 2.075 340 R HA -0.015 4.319 4.340 -0.009 0.000 0.226 340 R C 2.070 178.371 176.300 0.002 0.000 1.114 340 R CA 1.223 57.286 56.100 -0.062 0.000 0.972 340 R CB -0.565 29.716 30.300 -0.031 0.000 0.869 340 R HN 0.412 nan 8.270 nan 0.000 0.437 341 V N 1.820 121.704 119.914 -0.049 0.000 2.324 341 V HA -0.283 3.832 4.120 -0.009 0.000 0.250 341 V C 2.317 178.525 176.094 0.190 0.000 1.060 341 V CA 1.801 64.162 62.300 0.103 0.000 1.042 341 V CB -0.457 31.380 31.823 0.023 0.000 0.650 341 V HN 0.274 nan 8.190 nan 0.000 0.450 342 I N 0.778 121.392 120.570 0.074 0.000 2.163 342 I HA -0.209 3.956 4.170 -0.009 0.000 0.240 342 I C 2.753 178.923 176.117 0.088 0.000 1.081 342 I CA 2.041 63.382 61.300 0.067 0.000 1.353 342 I CB -0.871 37.137 38.000 0.012 0.000 1.054 342 I HN 0.477 nan 8.210 nan 0.000 0.407 343 T N -1.892 112.703 114.554 0.068 0.000 2.833 343 T HA -0.138 4.206 4.350 -0.009 0.000 0.269 343 T C 1.758 176.534 174.700 0.126 0.000 1.054 343 T CA 1.697 63.846 62.100 0.083 0.000 1.135 343 T CB -0.857 68.044 68.868 0.055 0.000 0.869 343 T HN 0.247 nan 8.240 nan 0.000 0.466 344 T N 2.958 117.603 114.554 0.151 0.000 2.520 344 T HA 0.011 4.356 4.350 -0.009 0.000 0.258 344 T C 1.924 176.784 174.700 0.266 0.000 1.125 344 T CA 1.566 63.794 62.100 0.212 0.000 1.206 344 T CB -0.764 68.271 68.868 0.278 0.000 0.864 344 T HN 0.299 nan 8.240 nan 0.000 0.400 345 L N 0.368 121.756 121.223 0.275 0.000 1.997 345 L HA -0.227 4.107 4.340 -0.009 0.000 0.227 345 L C 2.613 179.608 176.870 0.209 0.000 1.087 345 L CA 1.369 56.342 54.840 0.222 0.000 0.797 345 L CB -1.067 41.080 42.059 0.146 0.000 0.902 345 L HN 0.179 nan 8.230 nan 0.000 0.441 346 L N -0.587 120.734 121.223 0.163 0.000 2.054 346 L HA -0.331 4.004 4.340 -0.009 0.000 0.220 346 L C 2.581 179.574 176.870 0.205 0.000 1.081 346 L CA 2.138 57.069 54.840 0.152 0.000 0.780 346 L CB -0.672 41.458 42.059 0.119 0.000 0.893 346 L HN 0.459 nan 8.230 nan 0.000 0.438 347 C N -2.729 116.708 119.300 0.228 0.000 2.485 347 C HA -0.026 4.429 4.460 -0.009 0.000 0.278 347 C C 2.429 177.604 174.990 0.308 0.000 1.356 347 C CA -0.343 58.831 59.018 0.261 0.000 1.747 347 C CB -0.870 26.997 27.740 0.212 0.000 2.001 347 C HN 0.524 nan 8.230 nan 0.000 0.501 348 F N 2.349 122.387 119.950 0.147 0.000 2.059 348 F HA -0.027 4.495 4.527 -0.009 0.000 0.289 348 F C 2.571 178.464 175.800 0.155 0.000 1.128 348 F CA 1.874 59.954 58.000 0.134 0.000 1.181 348 F CB -1.023 38.055 39.000 0.131 0.000 1.012 348 F HN 0.026 nan 8.300 nan 0.000 0.473 349 S N 0.205 115.955 115.700 0.084 0.000 2.400 349 S HA -0.287 4.178 4.470 -0.009 0.000 0.234 349 S C 2.071 176.722 174.600 0.084 0.000 1.049 349 S CA 1.709 59.904 58.200 -0.007 0.000 1.039 349 S CB -1.079 62.169 63.200 0.081 0.000 0.856 349 S HN 0.607 nan 8.310 nan 0.000 0.465 350 S N 0.749 116.572 115.700 0.206 0.000 2.595 350 S HA 0.193 4.658 4.470 -0.009 0.000 0.235 350 S C 1.414 176.336 174.600 0.536 0.000 0.974 350 S CA 0.802 59.242 58.200 0.399 0.000 0.942 350 S CB -0.747 62.721 63.200 0.446 0.000 0.766 350 S HN 0.981 nan 8.310 nan 0.000 0.536 351 G N 0.512 109.445 108.800 0.222 0.000 2.198 351 G HA2 -0.078 3.876 3.960 -0.009 0.000 0.260 351 G HA3 -0.078 3.876 3.960 -0.009 0.000 0.260 351 G C 0.152 175.026 174.900 -0.044 0.000 1.025 351 G CA 0.018 45.176 45.100 0.097 0.000 0.769 351 G HN 1.340 nan 8.290 nan 0.000 0.507 352 A N 0.707 123.488 122.820 -0.065 0.000 2.354 352 A HA 0.744 5.059 4.320 -0.009 0.000 0.269 352 A C -1.290 176.183 177.584 -0.185 0.000 1.109 352 A CA -1.173 50.619 52.037 -0.407 0.000 0.800 352 A CB 0.689 19.473 19.000 -0.361 0.000 1.045 352 A HN 0.271 nan 8.150 nan 0.000 0.489 353 P HA 0.355 nan 4.420 nan 0.000 0.265 353 P C 0.180 177.487 177.300 0.013 0.000 1.222 353 P CA 0.846 63.898 63.100 -0.080 0.000 0.767 353 P CB 0.474 32.117 31.700 -0.096 0.000 0.801 354 G N 1.982 110.834 108.800 0.086 0.000 2.358 354 G HA2 0.421 4.375 3.960 -0.009 0.000 0.303 354 G HA3 0.421 4.375 3.960 -0.009 0.000 0.303 354 G C -0.602 174.409 174.900 0.184 0.000 1.537 354 G CA -0.385 44.784 45.100 0.116 0.000 0.928 354 G HN 0.550 nan 8.290 nan 0.000 0.656 355 G N -1.094 107.769 108.800 0.105 0.000 2.599 355 G HA2 0.540 4.494 3.960 -0.009 0.000 0.264 355 G HA3 0.540 4.494 3.960 -0.009 0.000 0.264 355 G C 0.655 175.519 174.900 -0.059 0.000 1.200 355 G CA -0.147 44.998 45.100 0.075 0.000 0.896 355 G HN 1.227 nan 8.290 nan 0.000 0.536 356 I N 0.199 120.593 120.570 -0.293 0.000 4.009 356 I HA 0.315 4.479 4.170 -0.009 0.000 0.331 356 I C 0.919 176.914 176.117 -0.204 0.000 1.462 356 I CA -0.455 60.583 61.300 -0.435 0.000 1.117 356 I CB -0.038 37.307 38.000 -1.092 0.000 1.091 356 I HN 0.549 nan 8.210 nan 0.000 0.410 357 F N 1.531 121.384 119.950 -0.161 0.000 2.098 357 F HA -0.076 4.446 4.527 -0.009 0.000 0.294 357 F C 2.498 178.278 175.800 -0.034 0.000 1.107 357 F CA 2.167 60.124 58.000 -0.071 0.000 1.234 357 F CB -0.025 38.978 39.000 0.005 0.000 1.002 357 F HN 0.168 nan 8.300 nan 0.000 0.472 358 A N 0.432 123.406 122.820 0.256 0.000 1.845 358 A HA -0.111 4.204 4.320 -0.009 0.000 0.215 358 A C -0.309 177.237 177.584 -0.063 0.000 1.195 358 A CA 1.748 53.843 52.037 0.096 0.000 0.616 358 A CB -2.143 16.797 19.000 -0.100 0.000 0.832 358 A HN 0.265 nan 8.150 nan 0.000 0.443 359 P HA -0.152 nan 4.420 nan 0.000 0.220 359 P C 1.505 178.758 177.300 -0.078 0.000 1.144 359 P CA 1.238 64.296 63.100 -0.070 0.000 0.800 359 P CB -0.135 31.542 31.700 -0.038 0.000 0.772 360 M N -2.139 117.386 119.600 -0.125 0.000 2.349 360 M HA -0.067 4.407 4.480 -0.009 0.000 0.266 360 M C 1.766 177.995 176.300 -0.118 0.000 1.076 360 M CA 1.316 56.508 55.300 -0.180 0.000 1.126 360 M CB -0.454 31.978 32.600 -0.279 0.000 1.392 360 M HN -0.016 nan 8.290 nan 0.000 0.440 361 L N -0.559 120.611 121.223 -0.089 0.000 2.044 361 L HA -0.121 4.214 4.340 -0.009 0.000 0.205 361 L C 2.789 179.667 176.870 0.013 0.000 1.075 361 L CA 1.203 56.015 54.840 -0.047 0.000 0.747 361 L CB -0.856 41.203 42.059 0.000 0.000 0.903 361 L HN 0.250 nan 8.230 nan 0.000 0.435 362 A N 0.306 123.145 122.820 0.032 0.000 1.892 362 A HA -0.216 4.098 4.320 -0.009 0.000 0.218 362 A C 2.256 179.871 177.584 0.053 0.000 1.188 362 A CA 1.740 53.812 52.037 0.058 0.000 0.631 362 A CB -0.924 18.103 19.000 0.045 0.000 0.822 362 A HN 0.372 nan 8.150 nan 0.000 0.447 363 L N -0.805 120.446 121.223 0.047 0.000 2.079 363 L HA -0.154 4.180 4.340 -0.009 0.000 0.210 363 L C 2.807 179.722 176.870 0.076 0.000 1.081 363 L CA 1.078 55.983 54.840 0.109 0.000 0.752 363 L CB -0.832 41.283 42.059 0.094 0.000 0.896 363 L HN 0.519 nan 8.230 nan 0.000 0.433 364 G N -0.574 108.296 108.800 0.117 0.000 2.404 364 G HA2 -0.214 3.741 3.960 -0.009 0.000 0.215 364 G HA3 -0.214 3.741 3.960 -0.009 0.000 0.215 364 G C 1.527 176.519 174.900 0.153 0.000 1.174 364 G CA 1.158 46.411 45.100 0.256 0.000 0.780 364 G HN 0.301 nan 8.290 nan 0.000 0.537 365 T N 1.412 116.009 114.554 0.071 0.000 2.555 365 T HA -0.206 4.139 4.350 -0.009 0.000 0.264 365 T C 2.476 177.203 174.700 0.044 0.000 1.083 365 T CA 1.856 63.996 62.100 0.067 0.000 1.179 365 T CB -0.778 68.136 68.868 0.078 0.000 0.863 365 T HN 0.033 nan 8.240 nan 0.000 0.412 366 V N 1.978 121.893 119.914 0.001 0.000 2.278 366 V HA -0.188 3.927 4.120 -0.009 0.000 0.251 366 V C 2.488 178.445 176.094 -0.228 0.000 1.062 366 V CA 1.917 64.169 62.300 -0.080 0.000 1.038 366 V CB -0.986 30.777 31.823 -0.101 0.000 0.646 366 V HN 0.334 nan 8.190 nan 0.000 0.447 367 L N 1.436 122.417 121.223 -0.404 0.000 2.046 367 L HA -0.031 4.303 4.340 -0.009 0.000 0.208 367 L C 2.306 179.063 176.870 -0.188 0.000 1.077 367 L CA 2.496 56.978 54.840 -0.597 0.000 0.747 367 L CB -1.433 40.092 42.059 -0.890 0.000 0.896 367 L HN 0.257 nan 8.230 nan 0.000 0.432 368 G N -1.699 107.122 108.800 0.034 0.000 2.421 368 G HA2 -0.245 3.709 3.960 -0.009 0.000 0.216 368 G HA3 -0.245 3.709 3.960 -0.009 0.000 0.216 368 G C 1.404 176.412 174.900 0.181 0.000 1.171 368 G CA 1.167 46.379 45.100 0.186 0.000 0.775 368 G HN 0.444 nan 8.290 nan 0.000 0.543 369 T N 1.960 116.579 114.554 0.108 0.000 2.665 369 T HA -0.132 4.212 4.350 -0.009 0.000 0.268 369 T C 2.788 177.506 174.700 0.029 0.000 1.035 369 T CA 1.886 64.043 62.100 0.095 0.000 1.151 369 T CB -0.537 68.385 68.868 0.090 0.000 0.862 369 T HN 0.402 nan 8.240 nan 0.000 0.438 370 A N 1.167 123.974 122.820 -0.022 0.000 1.865 370 A HA -0.087 4.227 4.320 -0.009 0.000 0.217 370 A C 2.052 179.579 177.584 -0.096 0.000 1.191 370 A CA 1.733 53.726 52.037 -0.073 0.000 0.623 370 A CB -1.155 17.767 19.000 -0.129 0.000 0.826 370 A HN 0.483 nan 8.150 nan 0.000 0.444 371 F N 1.177 121.023 119.950 -0.173 0.000 2.161 371 F HA -0.079 4.443 4.527 -0.007 0.000 0.300 371 F C 2.256 177.842 175.800 -0.355 0.000 1.089 371 F CA 1.383 59.257 58.000 -0.210 0.000 1.282 371 F CB -0.630 38.286 39.000 -0.140 0.000 1.010 371 F HN 0.217 nan 8.300 nan 0.000 0.485 372 G N 0.741 109.400 108.800 -0.236 0.000 2.511 372 G HA2 -0.297 3.658 3.960 -0.009 0.000 0.216 372 G HA3 -0.297 3.658 3.960 -0.009 0.000 0.216 372 G C 1.650 176.303 174.900 -0.413 0.000 1.218 372 G CA 1.266 46.069 45.100 -0.496 0.000 0.788 372 G HN 0.376 nan 8.290 nan 0.000 0.560 373 M N 0.123 119.591 119.600 -0.219 0.000 2.103 373 M HA -0.194 4.281 4.480 -0.009 0.000 0.255 373 M C 2.648 178.798 176.300 -0.250 0.000 1.074 373 M CA 1.655 56.849 55.300 -0.176 0.000 1.090 373 M CB -1.073 31.461 32.600 -0.111 0.000 1.325 373 M HN 0.137 nan 8.290 nan 0.000 0.403 374 V N 0.628 120.347 119.914 -0.325 0.000 2.287 374 V HA -0.278 3.836 4.120 -0.009 0.000 0.248 374 V C 2.825 178.665 176.094 -0.424 0.000 1.053 374 V CA 2.081 64.160 62.300 -0.367 0.000 1.027 374 V CB -1.595 29.966 31.823 -0.436 0.000 0.646 374 V HN 0.570 nan 8.190 nan 0.000 0.447 375 A N 0.117 122.596 122.820 -0.569 0.000 1.859 375 A HA -0.222 4.093 4.320 -0.009 0.000 0.217 375 A C 2.425 179.912 177.584 -0.161 0.000 1.198 375 A CA 2.571 54.358 52.037 -0.416 0.000 0.629 375 A CB -1.021 17.472 19.000 -0.845 0.000 0.830 375 A HN 0.308 nan 8.150 nan 0.000 0.446 376 V N 1.210 120.998 119.914 -0.211 0.000 2.218 376 V HA -0.413 3.701 4.120 -0.009 0.000 0.251 376 V C 2.689 178.695 176.094 -0.146 0.000 1.057 376 V CA 2.900 65.138 62.300 -0.105 0.000 1.022 376 V CB -1.231 30.533 31.823 -0.098 0.000 0.645 376 V HN 0.949 nan 8.190 nan 0.000 0.451 377 E N 0.194 120.275 120.200 -0.198 0.000 2.160 377 E HA -0.227 4.118 4.350 -0.009 0.000 0.195 377 E C 2.088 178.489 176.600 -0.332 0.000 0.991 377 E CA 1.775 58.044 56.400 -0.218 0.000 0.810 377 E CB -0.515 29.069 29.700 -0.194 0.000 0.742 377 E HN 0.581 nan 8.360 nan 0.000 0.466 378 L N -0.376 120.545 121.223 -0.502 0.000 2.046 378 L HA -0.044 4.291 4.340 -0.009 0.000 0.208 378 L C 0.443 176.587 176.870 -1.210 0.000 1.077 378 L CA 0.812 55.088 54.840 -0.940 0.000 0.747 378 L CB -0.090 41.158 42.059 -1.350 0.000 0.896 378 L HN 0.125 nan 8.230 nan 0.000 0.432 379 F N -1.001 118.816 119.950 -0.222 0.000 2.676 379 F HA 0.324 4.847 4.527 -0.008 0.000 0.371 379 F C -1.767 173.878 175.800 -0.258 0.000 1.141 379 F CA -2.011 55.788 58.000 -0.334 0.000 1.133 379 F CB 0.409 39.046 39.000 -0.605 0.000 1.376 379 F HN -0.219 nan 8.300 nan 0.000 0.491 380 P HA -0.151 nan 4.420 nan 0.000 0.231 380 P C 0.841 178.004 177.300 -0.228 0.000 1.168 380 P CA 0.993 63.996 63.100 -0.162 0.000 0.779 380 P CB 0.368 31.971 31.700 -0.161 0.000 0.844 381 Q N -1.045 118.690 119.800 -0.108 0.000 2.282 381 Q HA -0.028 4.307 4.340 -0.009 0.000 0.205 381 Q C 0.733 176.999 176.000 0.443 0.000 0.915 381 Q CA 0.358 56.206 55.803 0.075 0.000 0.949 381 Q CB -0.901 27.886 28.738 0.082 0.000 1.035 381 Q HN 0.435 nan 8.270 nan 0.000 0.484 382 Y N -0.438 120.010 120.300 0.246 0.000 2.444 382 Y HA 0.082 4.626 4.550 -0.009 0.000 0.252 382 Y C -0.211 175.914 175.900 0.375 0.000 1.091 382 Y CA -0.521 57.763 58.100 0.307 0.000 1.276 382 Y CB 0.447 39.050 38.460 0.239 0.000 1.170 382 Y HN 0.320 nan 8.280 nan 0.000 0.517 383 H N 0.030 119.264 119.070 0.273 0.000 2.791 383 H HA -0.162 4.389 4.556 -0.008 0.000 0.302 383 H C -0.236 175.206 175.328 0.190 0.000 1.198 383 H CA 0.204 56.360 56.048 0.180 0.000 1.145 383 H CB -2.286 27.561 29.762 0.143 0.000 1.385 383 H HN 0.227 nan 8.280 nan 0.000 0.409 384 L N 0.038 121.437 121.223 0.292 0.000 2.479 384 L HA 0.177 4.512 4.340 -0.009 0.000 0.270 384 L C 1.064 178.068 176.870 0.223 0.000 1.236 384 L CA 0.591 55.614 54.840 0.306 0.000 0.823 384 L CB 0.438 42.689 42.059 0.321 0.000 1.098 384 L HN 0.432 nan 8.230 nan 0.000 0.500 385 E N -0.005 120.356 120.200 0.267 0.000 2.343 385 E HA 0.316 4.661 4.350 -0.009 0.000 0.260 385 E C 0.305 177.066 176.600 0.268 0.000 0.908 385 E CA -0.234 56.284 56.400 0.197 0.000 0.814 385 E CB 1.651 31.446 29.700 0.158 0.000 1.302 385 E HN 0.685 nan 8.360 nan 0.000 0.408 386 A N 3.756 126.686 122.820 0.183 0.000 1.969 386 A HA -0.290 4.025 4.320 -0.009 0.000 0.223 386 A C 1.949 179.708 177.584 0.293 0.000 1.218 386 A CA 2.432 54.588 52.037 0.197 0.000 0.667 386 A CB -1.179 17.867 19.000 0.077 0.000 0.826 386 A HN 0.805 nan 8.150 nan 0.000 0.472 387 G N -1.080 107.839 108.800 0.198 0.000 2.517 387 G HA2 -0.280 3.674 3.960 -0.009 0.000 0.222 387 G HA3 -0.280 3.674 3.960 -0.009 0.000 0.222 387 G C 1.677 176.674 174.900 0.162 0.000 1.109 387 G CA 2.344 47.538 45.100 0.157 0.000 0.746 387 G HN 0.868 nan 8.290 nan 0.000 0.576 388 T N -1.211 113.469 114.554 0.210 0.000 2.698 388 T HA -0.041 4.303 4.350 -0.009 0.000 0.260 388 T C 2.089 176.872 174.700 0.138 0.000 1.044 388 T CA 1.150 63.313 62.100 0.105 0.000 1.149 388 T CB -0.551 68.349 68.868 0.054 0.000 0.864 388 T HN 0.128 nan 8.240 nan 0.000 0.419 389 F N 2.733 122.841 119.950 0.262 0.000 2.154 389 F HA 0.090 4.612 4.527 -0.007 0.000 0.301 389 F C 3.067 178.952 175.800 0.141 0.000 1.087 389 F CA 0.818 58.956 58.000 0.230 0.000 1.274 389 F CB -1.157 37.928 39.000 0.143 0.000 1.009 389 F HN 0.308 nan 8.300 nan 0.000 0.485 390 A N -0.079 122.917 122.820 0.294 0.000 2.024 390 A HA -0.151 4.164 4.320 -0.009 0.000 0.220 390 A C 2.273 179.913 177.584 0.093 0.000 1.164 390 A CA 1.578 53.718 52.037 0.172 0.000 0.643 390 A CB -0.911 18.175 19.000 0.143 0.000 0.806 390 A HN 0.465 nan 8.150 nan 0.000 0.451 391 I N -1.215 119.394 120.570 0.064 0.000 2.852 391 I HA -0.075 4.089 4.170 -0.009 0.000 0.264 391 I C 2.741 178.817 176.117 -0.068 0.000 1.179 391 I CA 0.734 62.026 61.300 -0.013 0.000 1.480 391 I CB -0.155 37.825 38.000 -0.034 0.000 1.111 391 I HN 0.354 nan 8.210 nan 0.000 0.441 392 A N 0.736 123.530 122.820 -0.044 0.000 1.969 392 A HA -0.054 4.261 4.320 -0.009 0.000 0.218 392 A C 2.312 179.801 177.584 -0.159 0.000 1.169 392 A CA 1.761 53.740 52.037 -0.096 0.000 0.635 392 A CB -0.963 18.073 19.000 0.060 0.000 0.810 392 A HN 0.430 nan 8.150 nan 0.000 0.445 393 G N -0.995 107.747 108.800 -0.097 0.000 2.426 393 G HA2 -0.067 3.887 3.960 -0.009 0.000 0.214 393 G HA3 -0.067 3.887 3.960 -0.009 0.000 0.214 393 G C 1.537 176.270 174.900 -0.278 0.000 1.156 393 G CA 0.846 45.801 45.100 -0.241 0.000 0.802 393 G HN 0.470 nan 8.290 nan 0.000 0.534 394 M N 1.035 120.569 119.600 -0.110 0.000 2.146 394 M HA -0.161 4.313 4.480 -0.009 0.000 0.251 394 M C 2.037 178.234 176.300 -0.172 0.000 1.083 394 M CA 2.420 57.665 55.300 -0.092 0.000 1.076 394 M CB -0.221 32.342 32.600 -0.061 0.000 1.332 394 M HN 0.181 nan 8.290 nan 0.000 0.400 395 G N -2.019 106.633 108.800 -0.247 0.000 3.159 395 G HA2 0.422 4.377 3.960 -0.009 0.000 0.232 395 G HA3 0.422 4.377 3.960 -0.009 0.000 0.232 395 G C 1.191 175.877 174.900 -0.356 0.000 1.116 395 G CA 0.408 45.350 45.100 -0.263 0.000 0.767 395 G HN 0.624 nan 8.290 nan 0.000 0.547 396 A N 0.692 123.156 122.820 -0.593 0.000 1.969 396 A HA 0.113 4.428 4.320 -0.009 0.000 0.218 396 A C 2.165 179.368 177.584 -0.635 0.000 1.169 396 A CA 0.823 52.362 52.037 -0.830 0.000 0.635 396 A CB -0.264 17.787 19.000 -1.581 0.000 0.810 396 A HN 0.347 nan 8.150 nan 0.000 0.445 397 L N -0.239 120.722 121.223 -0.437 0.000 2.056 397 L HA -0.081 4.254 4.340 -0.009 0.000 0.207 397 L C 2.270 179.077 176.870 -0.105 0.000 1.078 397 L CA 1.695 56.574 54.840 0.065 0.000 0.749 397 L CB -0.828 41.334 42.059 0.173 0.000 0.901 397 L HN 0.433 nan 8.230 nan 0.000 0.433 398 L N -0.178 120.912 121.223 -0.221 0.000 2.265 398 L HA -0.174 4.160 4.340 -0.009 0.000 0.215 398 L C 2.557 179.321 176.870 -0.178 0.000 1.117 398 L CA 0.936 55.612 54.840 -0.274 0.000 0.782 398 L CB -0.509 41.337 42.059 -0.354 0.000 0.914 398 L HN 0.311 nan 8.230 nan 0.000 0.441 399 A N -0.847 121.873 122.820 -0.167 0.000 2.081 399 A HA 0.201 4.515 4.320 -0.009 0.000 0.214 399 A C 2.210 179.748 177.584 -0.077 0.000 1.158 399 A CA 1.087 53.050 52.037 -0.122 0.000 0.724 399 A CB -0.169 18.736 19.000 -0.157 0.000 0.826 399 A HN 0.341 nan 8.150 nan 0.000 0.463 400 A N -1.810 120.984 122.820 -0.045 0.000 2.288 400 A HA 0.415 4.729 4.320 -0.009 0.000 0.216 400 A C 1.960 179.546 177.584 0.003 0.000 1.199 400 A CA 1.158 53.196 52.037 0.002 0.000 0.891 400 A CB 0.033 19.082 19.000 0.081 0.000 0.923 400 A HN 0.317 nan 8.150 nan 0.000 0.500 401 S N -0.985 114.712 115.700 -0.006 0.000 2.655 401 S HA 0.224 4.688 4.470 -0.009 0.000 0.231 401 S C 1.449 176.048 174.600 -0.002 0.000 1.044 401 S CA 0.407 58.613 58.200 0.011 0.000 0.910 401 S CB -0.155 63.076 63.200 0.052 0.000 0.833 401 S HN 0.466 nan 8.310 nan 0.000 0.581 402 I N 1.846 122.389 120.570 -0.046 0.000 3.564 402 I HA 0.098 4.262 4.170 -0.009 0.000 0.294 402 I C -0.121 176.007 176.117 0.017 0.000 1.289 402 I CA 0.333 61.621 61.300 -0.019 0.000 1.325 402 I CB -0.052 37.882 38.000 -0.111 0.000 1.039 402 I HN 0.103 nan 8.210 nan 0.000 0.474 403 R N 0.370 120.864 120.500 -0.010 0.000 3.722 403 R HA -0.200 4.135 4.340 -0.009 0.000 0.284 403 R C 0.226 176.531 176.300 0.008 0.000 1.165 403 R CA 0.823 56.918 56.100 -0.008 0.000 0.779 403 R CB -2.898 27.402 30.300 -0.000 0.000 1.179 403 R HN 0.456 nan 8.270 nan 0.000 0.491 404 A N 0.234 123.072 122.820 0.029 0.000 3.215 404 A HA 0.409 4.723 4.320 -0.009 0.000 0.320 404 A C -0.783 176.820 177.584 0.032 0.000 1.084 404 A CA -1.035 51.045 52.037 0.071 0.000 0.969 404 A CB 0.603 19.730 19.000 0.212 0.000 1.064 404 A HN -0.000 nan 8.150 nan 0.000 0.513 405 P HA -0.270 nan 4.420 nan 0.000 0.212 405 P C 1.616 178.897 177.300 -0.031 0.000 1.174 405 P CA 1.111 64.182 63.100 -0.049 0.000 0.934 405 P CB 0.154 31.818 31.700 -0.060 0.000 0.791 406 L N -0.432 120.782 121.223 -0.014 0.000 2.137 406 L HA -0.160 4.175 4.340 -0.009 0.000 0.213 406 L C 2.374 179.256 176.870 0.020 0.000 1.085 406 L CA 2.376 57.215 54.840 -0.002 0.000 0.760 406 L CB -1.631 40.432 42.059 0.006 0.000 0.893 406 L HN 0.009 nan 8.230 nan 0.000 0.434 407 T N -1.170 113.420 114.554 0.059 0.000 2.896 407 T HA -0.005 4.340 4.350 -0.009 0.000 0.263 407 T C 1.630 176.354 174.700 0.039 0.000 1.050 407 T CA 0.918 63.075 62.100 0.096 0.000 1.140 407 T CB -0.646 68.363 68.868 0.234 0.000 0.877 407 T HN 0.573 nan 8.240 nan 0.000 0.457 408 G N 1.920 110.725 108.800 0.009 0.000 2.575 408 G HA2 -0.138 3.816 3.960 -0.009 0.000 0.215 408 G HA3 -0.138 3.816 3.960 -0.009 0.000 0.215 408 G C 1.462 176.313 174.900 -0.081 0.000 1.262 408 G CA 0.615 45.681 45.100 -0.058 0.000 0.807 408 G HN 0.453 nan 8.290 nan 0.000 0.567 409 I N 0.708 121.225 120.570 -0.088 0.000 2.147 409 I HA -0.287 3.878 4.170 -0.009 0.000 0.245 409 I C 2.675 178.752 176.117 -0.066 0.000 1.059 409 I CA 1.330 62.575 61.300 -0.093 0.000 1.320 409 I CB -0.227 37.722 38.000 -0.086 0.000 1.021 409 I HN 0.186 nan 8.210 nan 0.000 0.415 410 I N -0.361 120.186 120.570 -0.038 0.000 2.761 410 I HA -0.214 3.951 4.170 -0.009 0.000 0.261 410 I C 2.292 178.386 176.117 -0.038 0.000 1.198 410 I CA 0.533 61.821 61.300 -0.020 0.000 1.482 410 I CB 0.042 38.042 38.000 0.001 0.000 1.100 410 I HN 0.249 nan 8.210 nan 0.000 0.445 411 L N 0.044 121.231 121.223 -0.060 0.000 2.131 411 L HA -0.081 4.253 4.340 -0.009 0.000 0.206 411 L C 2.256 179.048 176.870 -0.130 0.000 1.087 411 L CA 1.544 56.321 54.840 -0.104 0.000 0.767 411 L CB -0.199 41.774 42.059 -0.143 0.000 0.917 411 L HN -0.078 nan 8.230 nan 0.000 0.441 412 V N -0.697 119.146 119.914 -0.118 0.000 2.229 412 V HA -0.274 3.840 4.120 -0.009 0.000 0.243 412 V C 2.408 178.455 176.094 -0.078 0.000 1.042 412 V CA 1.686 63.919 62.300 -0.112 0.000 1.000 412 V CB -0.714 31.040 31.823 -0.116 0.000 0.637 412 V HN 0.426 nan 8.190 nan 0.000 0.446 413 L N 0.542 121.730 121.223 -0.058 0.000 1.980 413 L HA -0.305 4.030 4.340 -0.009 0.000 0.232 413 L C 2.496 179.357 176.870 -0.016 0.000 1.092 413 L CA 2.328 57.157 54.840 -0.019 0.000 0.808 413 L CB -1.006 41.064 42.059 0.019 0.000 0.908 413 L HN 0.412 nan 8.230 nan 0.000 0.442 414 E N -1.372 118.816 120.200 -0.020 0.000 2.352 414 E HA -0.287 4.057 4.350 -0.009 0.000 0.203 414 E C 1.867 178.449 176.600 -0.029 0.000 1.024 414 E CA 1.725 58.112 56.400 -0.021 0.000 0.842 414 E CB -0.219 29.465 29.700 -0.026 0.000 0.753 414 E HN 0.618 nan 8.360 nan 0.000 0.508 415 M N -1.585 117.986 119.600 -0.048 0.000 2.393 415 M HA 0.005 4.479 4.480 -0.009 0.000 0.270 415 M C 2.119 178.388 176.300 -0.051 0.000 1.127 415 M CA 0.716 55.981 55.300 -0.059 0.000 1.104 415 M CB 0.672 33.212 32.600 -0.100 0.000 1.523 415 M HN 0.050 nan 8.290 nan 0.000 0.546 416 T N -4.003 110.525 114.554 -0.043 0.000 3.023 416 T HA 0.047 4.392 4.350 -0.009 0.000 0.249 416 T C 0.851 175.542 174.700 -0.015 0.000 1.050 416 T CA 0.531 62.612 62.100 -0.031 0.000 1.088 416 T CB 0.152 68.998 68.868 -0.036 0.000 0.946 416 T HN 0.295 nan 8.240 nan 0.000 0.480 417 D N 1.632 122.028 120.400 -0.006 0.000 2.945 417 D HA -0.163 4.471 4.640 -0.009 0.000 0.225 417 D C -0.580 175.735 176.300 0.026 0.000 1.158 417 D CA 0.434 54.442 54.000 0.015 0.000 0.805 417 D CB -2.123 38.682 40.800 0.010 0.000 1.098 417 D HN 0.632 nan 8.370 nan 0.000 0.426 418 N N 0.586 119.291 118.700 0.007 0.000 3.131 418 N HA 0.018 4.752 4.740 -0.009 0.000 0.312 418 N C 0.759 176.256 175.510 -0.022 0.000 1.433 418 N CA -0.318 52.727 53.050 -0.007 0.000 1.141 418 N CB -0.061 38.402 38.487 -0.040 0.000 1.431 418 N HN 0.288 nan 8.380 nan 0.000 0.523 419 Y N 2.074 122.338 120.300 -0.060 0.000 2.538 419 Y HA -0.249 4.296 4.550 -0.009 0.000 0.287 419 Y C 1.748 177.602 175.900 -0.077 0.000 1.157 419 Y CA 1.639 59.700 58.100 -0.066 0.000 1.338 419 Y CB 0.222 38.651 38.460 -0.050 0.000 0.970 419 Y HN 0.345 nan 8.280 nan 0.000 0.564 420 Q N -0.401 119.328 119.800 -0.118 0.000 2.444 420 Q HA 0.096 4.431 4.340 -0.009 0.000 0.206 420 Q C 0.717 176.564 176.000 -0.255 0.000 0.948 420 Q CA 0.979 56.687 55.803 -0.159 0.000 0.946 420 Q CB -0.295 28.407 28.738 -0.059 0.000 1.027 420 Q HN 0.538 nan 8.270 nan 0.000 0.513 421 L N -0.389 120.648 121.223 -0.309 0.000 3.014 421 L HA 0.261 4.596 4.340 -0.009 0.000 0.263 421 L C 0.858 177.478 176.870 -0.417 0.000 1.207 421 L CA -0.271 54.356 54.840 -0.355 0.000 1.017 421 L CB 0.231 42.116 42.059 -0.290 0.000 1.360 421 L HN 0.168 nan 8.230 nan 0.000 0.560 422 I N 0.284 120.544 120.570 -0.518 0.000 2.208 422 I HA -0.285 3.879 4.170 -0.009 0.000 0.245 422 I C 2.112 178.004 176.117 -0.375 0.000 1.097 422 I CA 1.725 62.714 61.300 -0.518 0.000 1.363 422 I CB 0.057 37.551 38.000 -0.844 0.000 1.051 422 I HN 0.194 nan 8.210 nan 0.000 0.413 423 L N 0.665 121.673 121.223 -0.358 0.000 1.989 423 L HA -0.145 4.189 4.340 -0.009 0.000 0.211 423 L C -0.365 176.302 176.870 -0.339 0.000 1.071 423 L CA 2.424 57.092 54.840 -0.287 0.000 0.749 423 L CB -1.960 39.954 42.059 -0.241 0.000 0.890 423 L HN 0.175 nan 8.230 nan 0.000 0.431 424 P HA -0.159 nan 4.420 nan 0.000 0.214 424 P C 1.999 179.037 177.300 -0.437 0.000 1.162 424 P CA 1.508 64.162 63.100 -0.743 0.000 0.879 424 P CB -0.069 30.696 31.700 -1.558 0.000 0.786 425 M N -1.853 117.518 119.600 -0.383 0.000 2.195 425 M HA -0.187 4.287 4.480 -0.009 0.000 0.260 425 M C 2.066 178.241 176.300 -0.208 0.000 1.066 425 M CA 1.803 56.946 55.300 -0.262 0.000 1.089 425 M CB -0.894 31.564 32.600 -0.235 0.000 1.377 425 M HN -0.042 nan 8.290 nan 0.000 0.411 426 I N 0.360 120.811 120.570 -0.198 0.000 2.141 426 I HA -0.255 3.910 4.170 -0.009 0.000 0.236 426 I C 2.319 178.363 176.117 -0.122 0.000 1.071 426 I CA 1.237 62.450 61.300 -0.144 0.000 1.345 426 I CB -0.245 37.678 38.000 -0.129 0.000 1.066 426 I HN 0.200 nan 8.210 nan 0.000 0.406 427 I N 0.407 120.907 120.570 -0.117 0.000 2.248 427 I HA -0.340 3.825 4.170 -0.009 0.000 0.248 427 I C 2.478 178.559 176.117 -0.059 0.000 1.107 427 I CA 1.557 62.816 61.300 -0.069 0.000 1.373 427 I CB -0.760 37.213 38.000 -0.045 0.000 1.055 427 I HN 0.328 nan 8.210 nan 0.000 0.418 428 T N 0.508 115.011 114.554 -0.084 0.000 2.668 428 T HA -0.095 4.249 4.350 -0.009 0.000 0.262 428 T C 1.955 176.577 174.700 -0.131 0.000 1.045 428 T CA 1.600 63.646 62.100 -0.091 0.000 1.152 428 T CB -0.760 68.036 68.868 -0.119 0.000 0.864 428 T HN 0.564 nan 8.240 nan 0.000 0.419 429 G N 1.083 109.782 108.800 -0.168 0.000 2.469 429 G HA2 -0.184 3.770 3.960 -0.009 0.000 0.220 429 G HA3 -0.184 3.770 3.960 -0.009 0.000 0.220 429 G C 1.538 176.368 174.900 -0.116 0.000 1.136 429 G CA 0.838 45.836 45.100 -0.169 0.000 0.759 429 G HN 0.359 nan 8.290 nan 0.000 0.562 430 L N 1.071 122.239 121.223 -0.090 0.000 2.007 430 L HA 0.220 4.554 4.340 -0.009 0.000 0.205 430 L C 3.014 179.846 176.870 -0.063 0.000 1.073 430 L CA 2.119 56.917 54.840 -0.071 0.000 0.744 430 L CB -1.025 41.003 42.059 -0.053 0.000 0.898 430 L HN 0.183 nan 8.230 nan 0.000 0.435 431 G N -1.044 107.730 108.800 -0.043 0.000 2.507 431 G HA2 -0.344 3.610 3.960 -0.009 0.000 0.221 431 G HA3 -0.344 3.610 3.960 -0.009 0.000 0.221 431 G C 1.528 176.416 174.900 -0.019 0.000 1.119 431 G CA 1.079 46.168 45.100 -0.017 0.000 0.751 431 G HN 0.629 nan 8.290 nan 0.000 0.574 432 A N 0.342 123.141 122.820 -0.035 0.000 1.840 432 A HA 0.033 4.347 4.320 -0.009 0.000 0.214 432 A C 2.548 180.108 177.584 -0.041 0.000 1.198 432 A CA 2.377 54.411 52.037 -0.006 0.000 0.608 432 A CB -1.029 17.946 19.000 -0.041 0.000 0.839 432 A HN 0.284 nan 8.150 nan 0.000 0.443 433 T N 0.806 115.314 114.554 -0.076 0.000 2.803 433 T HA -0.110 4.235 4.350 -0.009 0.000 0.269 433 T C 1.746 176.342 174.700 -0.174 0.000 1.052 433 T CA 1.403 63.442 62.100 -0.102 0.000 1.136 433 T CB -0.364 68.448 68.868 -0.095 0.000 0.864 433 T HN 0.315 nan 8.240 nan 0.000 0.467 434 L N 0.096 121.201 121.223 -0.196 0.000 2.072 434 L HA 0.045 4.379 4.340 -0.009 0.000 0.205 434 L C 2.355 178.959 176.870 -0.443 0.000 1.079 434 L CA 0.867 55.479 54.840 -0.380 0.000 0.752 434 L CB -0.376 41.542 42.059 -0.235 0.000 0.906 434 L HN 0.260 nan 8.230 nan 0.000 0.436 435 L N -0.463 120.668 121.223 -0.154 0.000 2.341 435 L HA 0.006 4.340 4.340 -0.009 0.000 0.214 435 L C 2.466 179.317 176.870 -0.032 0.000 1.115 435 L CA 0.930 55.752 54.840 -0.030 0.000 0.820 435 L CB -0.906 41.190 42.059 0.060 0.000 0.944 435 L HN 0.175 nan 8.230 nan 0.000 0.452 436 A N -1.162 121.618 122.820 -0.067 0.000 2.238 436 A HA -0.118 4.196 4.320 -0.009 0.000 0.208 436 A C 2.146 179.692 177.584 -0.063 0.000 1.177 436 A CA 0.610 52.623 52.037 -0.040 0.000 0.804 436 A CB -0.100 18.881 19.000 -0.032 0.000 0.823 436 A HN 0.449 nan 8.150 nan 0.000 0.482 437 Q N -1.376 118.334 119.800 -0.151 0.000 2.388 437 Q HA 0.071 4.406 4.340 -0.009 0.000 0.204 437 Q C 0.414 176.418 176.000 0.007 0.000 0.946 437 Q CA 0.406 56.123 55.803 -0.144 0.000 0.880 437 Q CB 0.090 28.636 28.738 -0.321 0.000 0.997 437 Q HN 0.545 nan 8.270 nan 0.000 0.552 438 F N 1.327 121.292 119.950 0.027 0.000 2.802 438 F HA 0.039 4.561 4.527 -0.009 0.000 0.302 438 F C 1.291 177.107 175.800 0.026 0.000 1.211 438 F CA 1.006 59.022 58.000 0.027 0.000 1.431 438 F CB -0.300 38.718 39.000 0.029 0.000 1.114 438 F HN 0.124 nan 8.300 nan 0.000 0.567 439 T N -4.981 109.674 114.554 0.168 0.000 3.275 439 T HA 0.437 4.782 4.350 -0.009 0.000 0.298 439 T C 1.417 176.160 174.700 0.070 0.000 0.988 439 T CA 0.141 62.305 62.100 0.107 0.000 0.936 439 T CB 0.156 69.074 68.868 0.083 0.000 1.159 439 T HN 0.310 nan 8.240 nan 0.000 0.519 440 G N 0.944 109.791 108.800 0.079 0.000 2.166 440 G HA2 -0.119 3.835 3.960 -0.009 0.000 0.260 440 G HA3 -0.119 3.835 3.960 -0.009 0.000 0.260 440 G C 0.642 175.560 174.900 0.030 0.000 0.986 440 G CA -0.025 45.109 45.100 0.056 0.000 0.683 440 G HN 1.113 nan 8.290 nan 0.000 0.527 441 G N -0.728 108.080 108.800 0.014 0.000 2.699 441 G HA2 0.500 4.455 3.960 -0.009 0.000 0.246 441 G HA3 0.500 4.455 3.960 -0.009 0.000 0.246 441 G C 0.027 174.931 174.900 0.008 0.000 1.219 441 G CA 0.212 45.311 45.100 -0.002 0.000 0.866 441 G HN 0.563 nan 8.290 nan 0.000 0.572 442 K N 0.476 120.882 120.400 0.010 0.000 2.508 442 K HA 0.299 4.614 4.320 -0.009 0.000 0.260 442 K C -2.819 173.801 176.600 0.032 0.000 0.949 442 K CA -1.801 54.502 56.287 0.027 0.000 0.834 442 K CB 2.745 35.267 32.500 0.037 0.000 1.365 442 K HN 0.095 nan 8.250 nan 0.000 0.437 443 P HA -0.118 nan 4.420 nan 0.000 0.247 443 P C 0.903 178.245 177.300 0.069 0.000 1.147 443 P CA 0.168 63.299 63.100 0.052 0.000 0.964 443 P CB 0.118 31.852 31.700 0.057 0.000 0.944 444 L N 4.110 125.375 121.223 0.069 0.000 2.211 444 L HA -0.242 4.093 4.340 -0.009 0.000 0.216 444 L C 1.160 178.108 176.870 0.129 0.000 1.092 444 L CA 2.397 57.293 54.840 0.093 0.000 0.767 444 L CB -0.449 41.669 42.059 0.097 0.000 0.894 444 L HN 0.354 nan 8.230 nan 0.000 0.437 445 E N -1.972 118.311 120.200 0.138 0.000 2.400 445 E HA -0.001 4.343 4.350 -0.009 0.000 0.195 445 E C 2.066 178.737 176.600 0.119 0.000 1.012 445 E CA 0.627 57.122 56.400 0.158 0.000 0.875 445 E CB 0.018 29.836 29.700 0.197 0.000 0.859 445 E HN 0.255 nan 8.360 nan 0.000 0.498 446 S N 0.969 116.731 115.700 0.102 0.000 2.348 446 S HA -0.038 4.426 4.470 -0.009 0.000 0.219 446 S C 2.177 176.828 174.600 0.085 0.000 1.033 446 S CA 0.879 59.137 58.200 0.095 0.000 0.974 446 S CB -0.251 63.011 63.200 0.103 0.000 0.868 446 S HN 0.412 nan 8.310 nan 0.000 0.459 447 A N 1.311 124.178 122.820 0.078 0.000 1.978 447 A HA -0.054 4.260 4.320 -0.009 0.000 0.220 447 A C 1.967 179.587 177.584 0.059 0.000 1.170 447 A CA 1.200 53.274 52.037 0.062 0.000 0.636 447 A CB -0.728 18.304 19.000 0.054 0.000 0.810 447 A HN 0.523 nan 8.150 nan 0.000 0.448 448 I N -1.038 119.579 120.570 0.078 0.000 2.676 448 I HA -0.156 4.008 4.170 -0.009 0.000 0.259 448 I C 2.277 178.428 176.117 0.057 0.000 1.194 448 I CA 0.637 61.980 61.300 0.072 0.000 1.473 448 I CB -0.082 37.984 38.000 0.110 0.000 1.096 448 I HN 0.381 nan 8.210 nan 0.000 0.443 449 L N 1.024 122.285 121.223 0.063 0.000 2.102 449 L HA 0.079 4.413 4.340 -0.009 0.000 0.202 449 L C 2.574 179.468 176.870 0.040 0.000 1.076 449 L CA 1.837 56.708 54.840 0.053 0.000 0.761 449 L CB -0.775 41.321 42.059 0.061 0.000 0.921 449 L HN 0.117 nan 8.230 nan 0.000 0.444 450 A N -0.046 122.800 122.820 0.043 0.000 1.917 450 A HA -0.217 4.097 4.320 -0.009 0.000 0.219 450 A C 2.368 179.964 177.584 0.019 0.000 1.182 450 A CA 1.730 53.785 52.037 0.029 0.000 0.633 450 A CB -0.524 18.494 19.000 0.030 0.000 0.819 450 A HN 0.463 nan 8.150 nan 0.000 0.448 451 R N -1.008 119.504 120.500 0.020 0.000 2.061 451 R HA -0.077 4.257 4.340 -0.009 0.000 0.230 451 R C 2.270 178.573 176.300 0.005 0.000 1.140 451 R CA 1.855 57.960 56.100 0.009 0.000 0.940 451 R CB -1.489 28.814 30.300 0.005 0.000 0.839 451 R HN 0.522 nan 8.270 nan 0.000 0.429 452 T N 2.122 116.682 114.554 0.010 0.000 2.803 452 T HA -0.125 4.220 4.350 -0.009 0.000 0.269 452 T C 1.775 176.482 174.700 0.011 0.000 1.052 452 T CA 1.025 63.130 62.100 0.009 0.000 1.136 452 T CB -0.147 68.730 68.868 0.014 0.000 0.864 452 T HN -0.021 nan 8.240 nan 0.000 0.467 453 L N 0.456 121.688 121.223 0.015 0.000 2.209 453 L HA 0.321 4.655 4.340 -0.009 0.000 0.207 453 L C 2.502 179.378 176.870 0.010 0.000 1.094 453 L CA 1.041 55.890 54.840 0.015 0.000 0.790 453 L CB -0.818 41.252 42.059 0.019 0.000 0.932 453 L HN 0.213 nan 8.230 nan 0.000 0.447 454 A N -1.652 121.172 122.820 0.007 0.000 2.021 454 A HA -0.100 4.215 4.320 -0.009 0.000 0.216 454 A C 2.275 179.861 177.584 0.003 0.000 1.163 454 A CA 0.827 52.867 52.037 0.004 0.000 0.676 454 A CB -0.253 18.748 19.000 0.002 0.000 0.818 454 A HN 0.281 nan 8.150 nan 0.000 0.453 455 K N -0.599 119.802 120.400 0.002 0.000 2.366 455 K HA -0.035 4.279 4.320 -0.009 0.000 0.198 455 K C 1.986 178.590 176.600 0.007 0.000 1.044 455 K CA 0.860 57.148 56.287 0.001 0.000 0.973 455 K CB 0.040 32.535 32.500 -0.008 0.000 0.767 455 K HN 0.650 nan 8.250 nan 0.000 0.475 456 Q N 0.203 120.008 119.800 0.009 0.000 2.432 456 Q HA -0.068 4.266 4.340 -0.009 0.000 0.205 456 Q C 0.912 176.920 176.000 0.012 0.000 0.945 456 Q CA 0.868 56.678 55.803 0.012 0.000 0.924 456 Q CB 0.471 29.217 28.738 0.014 0.000 1.016 456 Q HN 0.301 nan 8.270 nan 0.000 0.503 457 E N -0.497 119.709 120.200 0.010 0.000 2.192 457 E HA 0.090 4.434 4.350 -0.009 0.000 0.196 457 E C 1.880 178.485 176.600 0.009 0.000 0.922 457 E CA 0.496 56.901 56.400 0.009 0.000 0.924 457 E CB -0.075 29.629 29.700 0.007 0.000 0.911 457 E HN 0.323 nan 8.360 nan 0.000 0.478 458 A N 2.283 125.108 122.820 0.007 0.000 2.023 458 A HA -0.262 4.052 4.320 -0.009 0.000 0.223 458 A C 1.449 179.039 177.584 0.010 0.000 1.180 458 A CA 2.001 54.042 52.037 0.007 0.000 0.659 458 A CB -0.927 18.076 19.000 0.006 0.000 0.817 458 A HN 0.434 nan 8.150 nan 0.000 0.466 459 E N -0.016 120.192 120.200 0.012 0.000 2.232 459 E HA 0.395 4.740 4.350 -0.009 0.000 0.296 459 E C -0.167 176.441 176.600 0.014 0.000 1.372 459 E CA -0.361 56.048 56.400 0.015 0.000 1.527 459 E CB -0.114 29.598 29.700 0.020 0.000 1.424 459 E HN 0.695 nan 8.360 nan 0.000 0.485 460 Q N 0.000 119.807 119.800 0.012 0.000 2.315 460 Q HA 0.000 4.334 4.340 -0.009 0.000 0.214 460 Q CA 0.000 55.809 55.803 0.011 0.000 1.022 460 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481