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 2exy_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 RQGPTVQIGG NIGRMVLDIF DATA SEQUENCE RLKGDEARHT LLATGAAAGL AAAFNAPLAG ILFIIEEMRP QFRYTLISIK DATA SEQUENCE AVFIGVIMST IMYRIFNHEV ALIDVGKLSD APLNTLWLYL ILGIIFGIFG DATA SEQUENCE PIFNKWVLGM QDLLHRVHGG NITKWVLMGG AIGGLCGLLG FVAPATSGGG DATA SEQUENCE FNLIPIATAG NFSMGMLVFI FVARVITTLL CFSSGAPGGI FAPMLALGTV DATA SEQUENCE LGTAFGMVAV ELFPQYHLEA GTFAIAGMGA LLAASIRAPL TGIILVLEMT DATA SEQUENCE DNYQLILPMI ITGLGATLLA QFTGGKPLYS AILARTLAKQ EAEQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.292 176.300 -0.013 0.000 0.893 17 R CA 0.000 56.093 56.100 -0.011 0.000 0.921 17 R CB 0.000 30.294 30.300 -0.011 0.000 0.687 18 R N 1.979 122.472 120.500 -0.011 0.000 2.377 18 R HA -0.002 4.333 4.340 -0.008 0.000 0.207 18 R C 1.494 177.788 176.300 -0.011 0.000 1.075 18 R CA 1.318 57.411 56.100 -0.011 0.000 1.035 18 R CB -0.345 29.951 30.300 -0.008 0.000 0.857 18 R HN 0.207 nan 8.270 nan 0.000 0.475 19 R N 0.552 121.045 120.500 -0.011 0.000 2.152 19 R HA -0.144 4.192 4.340 -0.008 0.000 0.232 19 R C 2.230 178.523 176.300 -0.012 0.000 1.117 19 R CA 1.728 57.822 56.100 -0.010 0.000 0.981 19 R CB -0.070 30.225 30.300 -0.009 0.000 0.870 19 R HN 0.430 nan 8.270 nan 0.000 0.451 20 Q N 0.219 120.010 119.800 -0.015 0.000 2.061 20 Q HA -0.095 4.241 4.340 -0.008 0.000 0.195 20 Q C 2.137 178.125 176.000 -0.020 0.000 0.967 20 Q CA 0.845 56.637 55.803 -0.019 0.000 0.829 20 Q CB -0.068 28.656 28.738 -0.024 0.000 0.900 20 Q HN 0.428 nan 8.270 nan 0.000 0.450 21 L N 0.974 122.185 121.223 -0.020 0.000 1.991 21 L HA -0.305 4.031 4.340 -0.008 0.000 0.221 21 L C 2.394 179.256 176.870 -0.014 0.000 1.079 21 L CA 1.805 56.633 54.840 -0.019 0.000 0.778 21 L CB -0.452 41.598 42.059 -0.015 0.000 0.893 21 L HN 0.416 nan 8.230 nan 0.000 0.437 22 I N -0.969 119.594 120.570 -0.011 0.000 2.381 22 I HA -0.378 3.787 4.170 -0.008 0.000 0.255 22 I C 2.597 178.709 176.117 -0.009 0.000 1.140 22 I CA 1.339 62.634 61.300 -0.009 0.000 1.404 22 I CB -0.425 37.571 38.000 -0.008 0.000 1.075 22 I HN 0.310 nan 8.210 nan 0.000 0.433 23 R N 0.163 120.657 120.500 -0.011 0.000 2.080 23 R HA -0.065 4.271 4.340 -0.008 0.000 0.222 23 R C 2.387 178.681 176.300 -0.010 0.000 1.107 23 R CA 0.874 56.968 56.100 -0.010 0.000 0.980 23 R CB -0.141 30.152 30.300 -0.011 0.000 0.879 23 R HN 0.435 nan 8.270 nan 0.000 0.439 24 Q N 0.559 120.351 119.800 -0.013 0.000 2.020 24 Q HA -0.151 4.184 4.340 -0.008 0.000 0.202 24 Q C 2.248 178.244 176.000 -0.006 0.000 0.982 24 Q CA 1.335 57.131 55.803 -0.013 0.000 0.838 24 Q CB -0.145 28.579 28.738 -0.024 0.000 0.899 24 Q HN 0.307 nan 8.270 nan 0.000 0.423 25 L N 0.534 121.753 121.223 -0.007 0.000 1.956 25 L HA -0.243 4.092 4.340 -0.008 0.000 0.216 25 L C 2.224 179.092 176.870 -0.003 0.000 1.073 25 L CA 1.252 56.090 54.840 -0.003 0.000 0.762 25 L CB -0.596 41.461 42.059 -0.005 0.000 0.889 25 L HN 0.283 nan 8.230 nan 0.000 0.433 26 L N -0.326 120.894 121.223 -0.005 0.000 2.721 26 L HA -0.160 4.175 4.340 -0.008 0.000 0.241 26 L C 1.694 178.562 176.870 -0.004 0.000 1.168 26 L CA 0.321 55.158 54.840 -0.005 0.000 0.866 26 L CB -0.321 41.734 42.059 -0.006 0.000 0.996 26 L HN 0.286 nan 8.230 nan 0.000 0.451 27 E N -0.586 119.612 120.200 -0.002 0.000 2.572 27 E HA 0.098 4.443 4.350 -0.008 0.000 0.220 27 E C 0.726 177.329 176.600 0.004 0.000 0.945 27 E CA -0.173 56.227 56.400 -0.000 0.000 1.070 27 E CB 0.448 30.148 29.700 -0.001 0.000 1.090 27 E HN 0.150 nan 8.360 nan 0.000 0.506 28 R N 1.043 121.546 120.500 0.005 0.000 2.811 28 R HA -0.028 4.308 4.340 -0.008 0.000 0.265 28 R C -0.389 175.914 176.300 0.004 0.000 1.026 28 R CA 0.781 56.887 56.100 0.010 0.000 1.142 28 R CB 0.189 30.494 30.300 0.008 0.000 1.027 28 R HN -0.006 nan 8.270 nan 0.000 0.465 29 D N 1.405 121.809 120.400 0.006 0.000 2.735 29 D HA -0.169 4.467 4.640 -0.008 0.000 0.235 29 D C -1.344 174.954 176.300 -0.005 0.000 1.175 29 D CA 1.302 55.299 54.000 -0.005 0.000 0.683 29 D CB -0.419 40.369 40.800 -0.021 0.000 1.008 29 D HN 0.403 nan 8.370 nan 0.000 0.416 30 K N 1.080 121.482 120.400 0.004 0.000 2.701 30 K HA 0.263 4.579 4.320 -0.008 0.000 0.212 30 K C -0.647 175.959 176.600 0.011 0.000 1.035 30 K CA -0.556 55.733 56.287 0.004 0.000 1.048 30 K CB 1.357 33.859 32.500 0.004 0.000 1.234 30 K HN -0.023 nan 8.250 nan 0.000 0.540 31 T N 2.882 117.443 114.554 0.010 0.000 2.799 31 T HA 0.260 4.606 4.350 -0.008 0.000 0.286 31 T C -2.420 172.291 174.700 0.019 0.000 0.973 31 T CA -1.624 60.487 62.100 0.018 0.000 1.035 31 T CB 1.026 69.905 68.868 0.019 0.000 0.932 31 T HN 0.153 nan 8.240 nan 0.000 0.469 32 P HA 0.016 nan 4.420 nan 0.000 0.255 32 P C 1.105 178.420 177.300 0.026 0.000 1.173 32 P CA 0.067 63.179 63.100 0.019 0.000 0.780 32 P CB 0.196 31.908 31.700 0.021 0.000 0.758 33 L N 4.119 125.354 121.223 0.021 0.000 2.085 33 L HA -0.349 3.986 4.340 -0.008 0.000 0.218 33 L C 1.964 178.870 176.870 0.059 0.000 1.080 33 L CA 2.270 57.130 54.840 0.033 0.000 0.776 33 L CB -0.449 41.619 42.059 0.014 0.000 0.891 33 L HN 0.404 nan 8.230 nan 0.000 0.437 34 A N -0.520 122.321 122.820 0.034 0.000 2.015 34 A HA -0.160 4.155 4.320 -0.008 0.000 0.219 34 A C 2.142 179.778 177.584 0.086 0.000 1.163 34 A CA 1.652 53.717 52.037 0.047 0.000 0.646 34 A CB -0.692 18.305 19.000 -0.005 0.000 0.806 34 A HN 0.568 nan 8.150 nan 0.000 0.448 35 I N -0.538 120.072 120.570 0.065 0.000 2.439 35 I HA -0.193 3.972 4.170 -0.008 0.000 0.251 35 I C 2.254 178.412 176.117 0.068 0.000 1.139 35 I CA 0.713 62.052 61.300 0.065 0.000 1.438 35 I CB -0.119 37.911 38.000 0.049 0.000 1.085 35 I HN 0.335 nan 8.210 nan 0.000 0.427 36 L N -0.383 120.883 121.223 0.072 0.000 1.988 36 L HA -0.239 4.097 4.340 -0.008 0.000 0.207 36 L C 2.537 179.443 176.870 0.060 0.000 1.071 36 L CA 1.462 56.339 54.840 0.061 0.000 0.744 36 L CB -0.788 41.309 42.059 0.062 0.000 0.893 36 L HN 0.171 nan 8.230 nan 0.000 0.433 37 F N 0.107 120.043 119.950 -0.023 0.000 2.271 37 F HA -0.298 4.224 4.527 -0.007 0.000 0.302 37 F C 2.381 178.155 175.800 -0.044 0.000 1.063 37 F CA 1.377 59.354 58.000 -0.039 0.000 1.362 37 F CB 0.036 38.996 39.000 -0.066 0.000 1.060 37 F HN 0.041 nan 8.300 nan 0.000 0.521 38 M N -0.105 119.499 119.600 0.006 0.000 2.216 38 M HA 0.069 4.544 4.480 -0.008 0.000 0.264 38 M C 2.633 178.886 176.300 -0.077 0.000 1.080 38 M CA 1.333 56.612 55.300 -0.034 0.000 1.153 38 M CB -1.846 30.804 32.600 0.083 0.000 1.356 38 M HN 0.221 nan 8.290 nan 0.000 0.432 39 A N 0.523 123.321 122.820 -0.038 0.000 2.032 39 A HA -0.081 4.234 4.320 -0.008 0.000 0.221 39 A C 2.372 179.912 177.584 -0.074 0.000 1.165 39 A CA 2.144 54.163 52.037 -0.030 0.000 0.645 39 A CB -0.803 18.198 19.000 0.002 0.000 0.807 39 A HN 0.491 nan 8.150 nan 0.000 0.453 40 A N -0.781 121.947 122.820 -0.154 0.000 1.872 40 A HA 0.087 4.403 4.320 -0.008 0.000 0.214 40 A C 2.184 179.644 177.584 -0.208 0.000 1.187 40 A CA 1.527 53.446 52.037 -0.195 0.000 0.614 40 A CB -0.802 18.014 19.000 -0.308 0.000 0.826 40 A HN 0.396 nan 8.150 nan 0.000 0.442 41 V N -0.351 119.394 119.914 -0.281 0.000 2.407 41 V HA -0.206 3.909 4.120 -0.008 0.000 0.248 41 V C 2.539 178.587 176.094 -0.076 0.000 1.055 41 V CA 1.813 64.007 62.300 -0.176 0.000 1.049 41 V CB -0.767 30.978 31.823 -0.130 0.000 0.662 41 V HN 0.347 nan 8.190 nan 0.000 0.455 42 V N 0.914 120.792 119.914 -0.060 0.000 2.223 42 V HA -0.198 3.918 4.120 -0.008 0.000 0.244 42 V C 2.702 178.768 176.094 -0.046 0.000 1.045 42 V CA 2.391 64.665 62.300 -0.043 0.000 1.000 42 V CB -1.536 30.269 31.823 -0.030 0.000 0.635 42 V HN 0.581 nan 8.190 nan 0.000 0.445 43 G N -0.486 108.288 108.800 -0.042 0.000 2.599 43 G HA2 -0.369 3.586 3.960 -0.008 0.000 0.219 43 G HA3 -0.369 3.586 3.960 -0.008 0.000 0.219 43 G C 1.676 176.564 174.900 -0.019 0.000 1.193 43 G CA 2.004 47.087 45.100 -0.028 0.000 0.778 43 G HN 0.462 nan 8.290 nan 0.000 0.589 44 T N 0.940 115.478 114.554 -0.028 0.000 2.665 44 T HA -0.131 4.215 4.350 -0.008 0.000 0.268 44 T C 2.385 177.080 174.700 -0.008 0.000 1.035 44 T CA 1.386 63.481 62.100 -0.008 0.000 1.151 44 T CB -0.222 68.631 68.868 -0.025 0.000 0.862 44 T HN 0.069 nan 8.240 nan 0.000 0.438 45 L N 0.560 121.764 121.223 -0.031 0.000 2.044 45 L HA 0.006 4.342 4.340 -0.008 0.000 0.205 45 L C 2.609 179.442 176.870 -0.062 0.000 1.075 45 L CA 1.132 55.942 54.840 -0.050 0.000 0.747 45 L CB -0.850 41.169 42.059 -0.066 0.000 0.903 45 L HN 0.120 nan 8.230 nan 0.000 0.435 46 V N -0.294 119.588 119.914 -0.054 0.000 2.469 46 V HA -0.227 3.889 4.120 -0.008 0.000 0.251 46 V C 2.415 178.492 176.094 -0.028 0.000 1.064 46 V CA 1.716 63.983 62.300 -0.055 0.000 1.066 46 V CB -1.544 30.255 31.823 -0.041 0.000 0.667 46 V HN 0.575 nan 8.190 nan 0.000 0.461 47 G N 0.269 109.069 108.800 -0.000 0.000 2.556 47 G HA2 -0.153 3.803 3.960 -0.008 0.000 0.215 47 G HA3 -0.153 3.803 3.960 -0.008 0.000 0.215 47 G C 1.360 176.275 174.900 0.025 0.000 1.258 47 G CA 0.702 45.830 45.100 0.046 0.000 0.811 47 G HN 0.305 nan 8.290 nan 0.000 0.557 48 L N 1.711 122.936 121.223 0.002 0.000 2.103 48 L HA -0.187 4.148 4.340 -0.008 0.000 0.215 48 L C 3.273 180.079 176.870 -0.106 0.000 1.080 48 L CA 1.842 56.641 54.840 -0.070 0.000 0.764 48 L CB -1.655 40.372 42.059 -0.054 0.000 0.890 48 L HN 0.356 nan 8.230 nan 0.000 0.435 49 A N -0.209 122.552 122.820 -0.098 0.000 1.828 49 A HA -0.148 4.167 4.320 -0.008 0.000 0.215 49 A C 2.545 180.111 177.584 -0.030 0.000 1.203 49 A CA 2.285 54.237 52.037 -0.142 0.000 0.614 49 A CB -1.103 17.783 19.000 -0.189 0.000 0.844 49 A HN 0.392 nan 8.150 nan 0.000 0.445 50 A N -0.825 122.002 122.820 0.011 0.000 1.971 50 A HA -0.136 4.180 4.320 -0.008 0.000 0.222 50 A C 2.265 179.956 177.584 0.179 0.000 1.182 50 A CA 2.295 54.400 52.037 0.113 0.000 0.649 50 A CB -1.180 17.873 19.000 0.088 0.000 0.818 50 A HN 0.480 nan 8.150 nan 0.000 0.458 51 V N -0.499 119.469 119.914 0.091 0.000 2.237 51 V HA -0.246 3.869 4.120 -0.008 0.000 0.245 51 V C 3.085 179.178 176.094 -0.001 0.000 1.046 51 V CA 2.118 64.431 62.300 0.023 0.000 1.007 51 V CB -1.345 30.342 31.823 -0.226 0.000 0.638 51 V HN 0.668 nan 8.190 nan 0.000 0.445 52 A N -0.437 122.365 122.820 -0.030 0.000 1.892 52 A HA -0.293 4.022 4.320 -0.008 0.000 0.218 52 A C 2.131 179.852 177.584 0.229 0.000 1.188 52 A CA 2.356 54.422 52.037 0.048 0.000 0.631 52 A CB -0.850 18.177 19.000 0.046 0.000 0.822 52 A HN 0.527 nan 8.150 nan 0.000 0.447 53 F N 1.224 121.319 119.950 0.242 0.000 2.043 53 F HA -0.246 4.276 4.527 -0.007 0.000 0.297 53 F C 1.945 177.795 175.800 0.083 0.000 1.121 53 F CA 2.388 60.573 58.000 0.310 0.000 1.199 53 F CB -0.648 38.546 39.000 0.323 0.000 0.968 53 F HN 0.377 nan 8.300 nan 0.000 0.478 54 D N 0.049 120.493 120.400 0.074 0.000 2.116 54 D HA -0.197 4.438 4.640 -0.008 0.000 0.193 54 D C 2.098 178.350 176.300 -0.081 0.000 0.998 54 D CA 1.521 55.492 54.000 -0.049 0.000 0.836 54 D CB -0.092 40.774 40.800 0.110 0.000 0.951 54 D HN 0.119 nan 8.370 nan 0.000 0.449 55 K N 0.057 120.440 120.400 -0.027 0.000 1.977 55 K HA -0.097 4.219 4.320 -0.008 0.000 0.218 55 K C 2.320 178.909 176.600 -0.019 0.000 1.051 55 K CA 1.476 57.754 56.287 -0.014 0.000 0.953 55 K CB -1.303 31.184 32.500 -0.022 0.000 0.727 55 K HN 0.307 nan 8.250 nan 0.000 0.445 56 G N 1.431 110.183 108.800 -0.079 0.000 2.505 56 G HA2 -0.253 3.703 3.960 -0.008 0.000 0.220 56 G HA3 -0.253 3.703 3.960 -0.008 0.000 0.220 56 G C 1.767 176.614 174.900 -0.088 0.000 1.145 56 G CA 1.238 46.277 45.100 -0.102 0.000 0.761 56 G HN 0.145 nan 8.290 nan 0.000 0.571 57 V N 1.485 121.241 119.914 -0.263 0.000 2.324 57 V HA -0.211 3.904 4.120 -0.008 0.000 0.250 57 V C 3.304 179.346 176.094 -0.086 0.000 1.060 57 V CA 2.252 64.397 62.300 -0.259 0.000 1.042 57 V CB -0.980 30.605 31.823 -0.396 0.000 0.650 57 V HN 0.538 nan 8.190 nan 0.000 0.450 58 A N -0.986 121.812 122.820 -0.038 0.000 1.835 58 A HA -0.291 4.024 4.320 -0.008 0.000 0.215 58 A C 1.969 179.585 177.584 0.053 0.000 1.199 58 A CA 1.891 53.932 52.037 0.007 0.000 0.615 58 A CB -1.220 17.793 19.000 0.023 0.000 0.838 58 A HN 0.694 nan 8.150 nan 0.000 0.444 59 W N 0.598 121.845 121.300 -0.087 0.000 2.279 59 W HA -0.282 4.374 4.660 -0.006 0.000 0.298 59 W C 1.691 178.162 176.519 -0.080 0.000 1.228 59 W CA 2.337 59.638 57.345 -0.074 0.000 1.230 59 W CB -0.179 29.238 29.460 -0.072 0.000 1.138 59 W HN 0.312 nan 8.180 nan 0.000 0.532 60 L N -0.672 120.662 121.223 0.185 0.000 2.102 60 L HA -0.152 4.184 4.340 -0.008 0.000 0.202 60 L C 2.566 179.358 176.870 -0.129 0.000 1.076 60 L CA 1.265 56.124 54.840 0.032 0.000 0.761 60 L CB -1.126 40.998 42.059 0.109 0.000 0.921 60 L HN -0.074 nan 8.230 nan 0.000 0.444 61 Q N -0.157 119.591 119.800 -0.086 0.000 2.297 61 Q HA -0.211 4.124 4.340 -0.008 0.000 0.208 61 Q C 1.841 177.755 176.000 -0.144 0.000 0.981 61 Q CA 1.281 57.027 55.803 -0.095 0.000 0.876 61 Q CB -0.206 28.496 28.738 -0.060 0.000 0.921 61 Q HN 0.496 nan 8.270 nan 0.000 0.446 62 N N -0.141 118.435 118.700 -0.207 0.000 2.083 62 N HA -0.188 4.548 4.740 -0.008 0.000 0.190 62 N C 1.586 176.905 175.510 -0.318 0.000 1.047 62 N CA 0.707 53.602 53.050 -0.258 0.000 0.845 62 N CB 0.174 38.461 38.487 -0.332 0.000 1.025 62 N HN 0.055 nan 8.380 nan 0.000 0.428 63 Q N 1.104 120.611 119.800 -0.489 0.000 2.197 63 Q HA -0.127 4.208 4.340 -0.008 0.000 0.211 63 Q C 1.314 177.152 176.000 -0.271 0.000 0.993 63 Q CA 1.440 56.977 55.803 -0.442 0.000 0.883 63 Q CB -0.347 28.056 28.738 -0.558 0.000 0.916 63 Q HN 0.366 nan 8.270 nan 0.000 0.418 64 R N -0.822 119.543 120.500 -0.224 0.000 2.366 64 R HA -0.008 4.327 4.340 -0.008 0.000 0.201 64 R C 0.972 177.166 176.300 -0.177 0.000 1.057 64 R CA 0.442 56.441 56.100 -0.168 0.000 1.086 64 R CB 0.003 30.226 30.300 -0.128 0.000 0.914 64 R HN 0.298 nan 8.270 nan 0.000 0.476 65 M N -1.859 117.631 119.600 -0.184 0.000 2.971 65 M HA 0.137 4.612 4.480 -0.008 0.000 0.238 65 M C 1.742 177.955 176.300 -0.144 0.000 1.582 65 M CA 0.734 55.931 55.300 -0.171 0.000 1.223 65 M CB -0.898 31.614 32.600 -0.147 0.000 1.238 65 M HN 0.077 nan 8.290 nan 0.000 0.568 66 G N 0.293 109.005 108.800 -0.145 0.000 3.302 66 G HA2 0.307 4.263 3.960 -0.008 0.000 0.220 66 G HA3 0.307 4.263 3.960 -0.008 0.000 0.220 66 G C 0.893 175.738 174.900 -0.092 0.000 1.297 66 G CA 0.964 46.005 45.100 -0.099 0.000 1.213 66 G HN 0.522 nan 8.290 nan 0.000 0.508 67 A N -0.996 121.757 122.820 -0.112 0.000 1.857 67 A HA 0.368 4.683 4.320 -0.008 0.000 0.198 67 A C 1.886 179.406 177.584 -0.106 0.000 1.775 67 A CA -0.033 51.917 52.037 -0.144 0.000 1.281 67 A CB -0.009 18.890 19.000 -0.168 0.000 1.355 67 A HN 0.227 nan 8.150 nan 0.000 0.417 68 L N -0.398 120.734 121.223 -0.151 0.000 2.007 68 L HA -0.067 4.269 4.340 -0.008 0.000 0.205 68 L C 2.455 179.242 176.870 -0.137 0.000 1.073 68 L CA 1.527 56.235 54.840 -0.220 0.000 0.744 68 L CB -0.397 41.416 42.059 -0.410 0.000 0.898 68 L HN 0.293 nan 8.230 nan 0.000 0.435 69 V N -0.244 119.606 119.914 -0.107 0.000 2.392 69 V HA -0.340 3.776 4.120 -0.008 0.000 0.249 69 V C 2.628 178.728 176.094 0.009 0.000 1.059 69 V CA 2.012 64.283 62.300 -0.049 0.000 1.051 69 V CB -0.742 31.054 31.823 -0.045 0.000 0.658 69 V HN 0.571 nan 8.190 nan 0.000 0.455 70 H N 1.014 120.038 119.070 -0.077 0.000 2.460 70 H HA -0.128 4.423 4.556 -0.008 0.000 0.297 70 H C 1.653 176.957 175.328 -0.040 0.000 1.103 70 H CA 2.031 58.046 56.048 -0.055 0.000 1.292 70 H CB -0.108 29.617 29.762 -0.061 0.000 1.376 70 H HN 0.651 nan 8.280 nan 0.000 0.531 71 T N -3.244 111.410 114.554 0.167 0.000 3.380 71 T HA 0.589 4.934 4.350 -0.008 0.000 0.289 71 T C 1.499 176.233 174.700 0.056 0.000 1.012 71 T CA 0.156 62.328 62.100 0.119 0.000 0.944 71 T CB 0.055 69.004 68.868 0.135 0.000 1.172 71 T HN 0.308 nan 8.240 nan 0.000 0.502 72 A N 2.201 125.042 122.820 0.035 0.000 2.076 72 A HA -0.082 4.234 4.320 -0.008 0.000 0.220 72 A C 1.950 179.590 177.584 0.092 0.000 1.160 72 A CA 1.747 53.819 52.037 0.058 0.000 0.653 72 A CB -0.649 18.377 19.000 0.043 0.000 0.801 72 A HN 0.770 nan 8.150 nan 0.000 0.455 73 D N 0.655 121.093 120.400 0.065 0.000 2.095 73 D HA -0.161 4.475 4.640 -0.008 0.000 0.192 73 D C 0.928 177.290 176.300 0.103 0.000 0.990 73 D CA 1.043 55.084 54.000 0.069 0.000 0.836 73 D CB -0.943 39.880 40.800 0.038 0.000 0.979 73 D HN 0.298 nan 8.370 nan 0.000 0.447 74 N N -0.143 118.613 118.700 0.094 0.000 2.438 74 N HA -0.084 4.651 4.740 -0.008 0.000 0.267 74 N C 0.125 175.731 175.510 0.159 0.000 1.222 74 N CA -0.085 53.034 53.050 0.114 0.000 0.930 74 N CB 0.286 38.821 38.487 0.081 0.000 1.083 74 N HN 0.208 nan 8.380 nan 0.000 0.476 75 Y N 6.905 127.246 120.300 0.068 0.000 2.084 75 Y HA 0.060 4.605 4.550 -0.008 0.000 0.279 75 Y C -0.910 175.044 175.900 0.091 0.000 1.119 75 Y CA 1.628 59.781 58.100 0.089 0.000 1.101 75 Y CB -0.914 37.579 38.460 0.055 0.000 0.989 75 Y HN 0.516 nan 8.280 nan 0.000 0.484 76 P HA -0.171 nan 4.420 nan 0.000 0.223 76 P C 1.454 178.765 177.300 0.017 0.000 1.144 76 P CA 1.232 64.383 63.100 0.085 0.000 0.783 76 P CB -0.087 31.691 31.700 0.129 0.000 0.771 77 L N -1.695 119.549 121.223 0.036 0.000 2.291 77 L HA -0.056 4.279 4.340 -0.008 0.000 0.214 77 L C 1.845 178.718 176.870 0.005 0.000 1.120 77 L CA 1.474 56.328 54.840 0.024 0.000 0.799 77 L CB -0.843 41.241 42.059 0.042 0.000 0.925 77 L HN -0.087 nan 8.230 nan 0.000 0.446 78 L N -1.992 119.225 121.223 -0.009 0.000 2.004 78 L HA -0.139 4.196 4.340 -0.008 0.000 0.205 78 L C 2.294 179.174 176.870 0.017 0.000 1.089 78 L CA 0.498 55.331 54.840 -0.010 0.000 0.756 78 L CB -0.849 41.253 42.059 0.071 0.000 0.900 78 L HN 0.089 nan 8.230 nan 0.000 0.440 79 L N -0.057 121.159 121.223 -0.011 0.000 2.123 79 L HA -0.307 4.029 4.340 -0.008 0.000 0.217 79 L C 2.528 179.441 176.870 0.071 0.000 1.081 79 L CA 2.149 57.007 54.840 0.029 0.000 0.772 79 L CB -2.010 40.004 42.059 -0.075 0.000 0.890 79 L HN 0.429 nan 8.230 nan 0.000 0.437 80 T N 0.174 114.740 114.554 0.020 0.000 2.639 80 T HA -0.116 4.230 4.350 -0.008 0.000 0.261 80 T C 2.006 176.754 174.700 0.080 0.000 1.053 80 T CA 1.846 63.955 62.100 0.016 0.000 1.158 80 T CB -0.443 68.415 68.868 -0.015 0.000 0.863 80 T HN 0.370 nan 8.240 nan 0.000 0.413 81 V N 1.009 120.947 119.914 0.039 0.000 2.469 81 V HA 0.060 4.176 4.120 -0.008 0.000 0.251 81 V C 2.149 178.268 176.094 0.042 0.000 1.064 81 V CA 1.474 63.788 62.300 0.024 0.000 1.066 81 V CB -1.456 30.348 31.823 -0.032 0.000 0.667 81 V HN 0.417 nan 8.190 nan 0.000 0.461 82 A N -1.875 120.977 122.820 0.053 0.000 2.416 82 A HA 0.477 4.793 4.320 -0.008 0.000 0.252 82 A C 1.268 178.939 177.584 0.144 0.000 1.353 82 A CA 0.675 52.744 52.037 0.053 0.000 0.996 82 A CB -0.798 18.229 19.000 0.046 0.000 0.961 82 A HN 0.778 nan 8.150 nan 0.000 0.523 83 F N -1.829 118.122 119.950 0.001 0.000 2.533 83 F HA 0.223 4.745 4.527 -0.008 0.000 0.313 83 F C 1.189 176.995 175.800 0.011 0.000 0.834 83 F CA 0.281 58.290 58.000 0.015 0.000 1.061 83 F CB 0.108 39.118 39.000 0.017 0.000 0.915 83 F HN 0.102 nan 8.300 nan 0.000 0.693 84 L N -0.218 121.202 121.223 0.328 0.000 2.217 84 L HA -0.141 4.195 4.340 -0.008 0.000 0.211 84 L C 2.119 179.034 176.870 0.074 0.000 1.107 84 L CA 1.153 56.119 54.840 0.209 0.000 0.783 84 L CB -0.930 41.212 42.059 0.139 0.000 0.919 84 L HN 0.307 nan 8.230 nan 0.000 0.442 85 C N -0.891 118.429 119.300 0.033 0.000 2.486 85 C HA -0.064 4.391 4.460 -0.008 0.000 0.279 85 C C 2.988 177.966 174.990 -0.020 0.000 1.302 85 C CA 0.697 59.710 59.018 -0.009 0.000 1.720 85 C CB -0.404 27.314 27.740 -0.037 0.000 2.030 85 C HN 0.440 nan 8.230 nan 0.000 0.490 86 S N 0.641 116.314 115.700 -0.046 0.000 2.515 86 S HA 0.059 4.524 4.470 -0.008 0.000 0.231 86 S C 1.836 176.382 174.600 -0.091 0.000 0.987 86 S CA 0.933 59.089 58.200 -0.074 0.000 0.936 86 S CB -0.141 62.988 63.200 -0.119 0.000 0.766 86 S HN 0.702 nan 8.310 nan 0.000 0.528 87 A N 0.886 123.651 122.820 -0.093 0.000 1.884 87 A HA 0.172 4.488 4.320 -0.008 0.000 0.212 87 A C 2.089 179.695 177.584 0.036 0.000 1.265 87 A CA 0.536 52.536 52.037 -0.061 0.000 0.626 87 A CB -0.857 18.133 19.000 -0.016 0.000 0.943 87 A HN 0.269 nan 8.150 nan 0.000 0.466 88 V N 0.599 120.543 119.914 0.049 0.000 2.660 88 V HA -0.248 3.868 4.120 -0.008 0.000 0.257 88 V C 2.360 178.510 176.094 0.093 0.000 1.088 88 V CA 1.800 64.139 62.300 0.066 0.000 1.106 88 V CB -0.724 31.121 31.823 0.036 0.000 0.686 88 V HN 0.488 nan 8.190 nan 0.000 0.481 89 L N -0.805 120.463 121.223 0.075 0.000 2.200 89 L HA 0.094 4.430 4.340 -0.008 0.000 0.200 89 L C 2.674 179.667 176.870 0.206 0.000 1.072 89 L CA 1.136 56.039 54.840 0.106 0.000 0.787 89 L CB -0.678 41.405 42.059 0.040 0.000 0.957 89 L HN 0.306 nan 8.230 nan 0.000 0.459 90 A N -0.057 122.860 122.820 0.162 0.000 1.933 90 A HA -0.219 4.097 4.320 -0.008 0.000 0.218 90 A C 2.279 180.083 177.584 0.366 0.000 1.175 90 A CA 1.546 53.730 52.037 0.245 0.000 0.628 90 A CB -0.380 18.747 19.000 0.212 0.000 0.814 90 A HN 0.295 nan 8.150 nan 0.000 0.444 91 M N -1.959 117.790 119.600 0.248 0.000 2.066 91 M HA -0.078 4.398 4.480 -0.008 0.000 0.259 91 M C 2.194 178.681 176.300 0.311 0.000 1.074 91 M CA 1.978 57.412 55.300 0.223 0.000 1.114 91 M CB -0.692 31.981 32.600 0.122 0.000 1.306 91 M HN 0.540 nan 8.290 nan 0.000 0.411 92 F N 1.294 121.336 119.950 0.154 0.000 2.271 92 F HA -0.181 4.342 4.527 -0.008 0.000 0.302 92 F C 1.768 177.679 175.800 0.186 0.000 1.063 92 F CA 1.513 59.625 58.000 0.187 0.000 1.362 92 F CB -0.654 38.414 39.000 0.115 0.000 1.060 92 F HN 0.071 nan 8.300 nan 0.000 0.521 93 G N -0.446 108.517 108.800 0.272 0.000 2.547 93 G HA2 -0.260 3.696 3.960 -0.008 0.000 0.214 93 G HA3 -0.260 3.696 3.960 -0.008 0.000 0.214 93 G C 1.257 176.138 174.900 -0.032 0.000 1.254 93 G CA 0.844 45.995 45.100 0.086 0.000 0.817 93 G HN 0.423 nan 8.290 nan 0.000 0.551 94 Y N 0.246 120.510 120.300 -0.059 0.000 2.096 94 Y HA -0.213 4.332 4.550 -0.008 0.000 0.278 94 Y C 2.419 178.244 175.900 -0.125 0.000 1.192 94 Y CA 1.614 59.620 58.100 -0.157 0.000 1.143 94 Y CB -0.972 37.385 38.460 -0.171 0.000 0.963 94 Y HN 0.253 nan 8.280 nan 0.000 0.505 95 F N 0.082 120.026 119.950 -0.011 0.000 2.008 95 F HA -0.366 4.156 4.527 -0.008 0.000 0.297 95 F C 2.227 177.956 175.800 -0.118 0.000 1.156 95 F CA 1.255 59.214 58.000 -0.069 0.000 1.191 95 F CB -0.523 38.430 39.000 -0.079 0.000 0.955 95 F HN -0.067 nan 8.300 nan 0.000 0.497 96 L N 0.286 121.154 121.223 -0.591 0.000 2.198 96 L HA -0.293 4.043 4.340 -0.008 0.000 0.218 96 L C 2.259 178.903 176.870 -0.377 0.000 1.084 96 L CA 1.422 55.839 54.840 -0.704 0.000 0.779 96 L CB -1.564 40.103 42.059 -0.652 0.000 0.890 96 L HN 0.250 nan 8.230 nan 0.000 0.439 97 V N -0.431 119.317 119.914 -0.276 0.000 2.249 97 V HA -0.176 3.939 4.120 -0.008 0.000 0.239 97 V C 2.568 178.551 176.094 -0.185 0.000 1.038 97 V CA 1.148 63.318 62.300 -0.217 0.000 1.005 97 V CB -0.386 31.277 31.823 -0.266 0.000 0.646 97 V HN 0.391 nan 8.190 nan 0.000 0.455 98 R N 0.666 121.039 120.500 -0.211 0.000 2.154 98 R HA -0.233 4.102 4.340 -0.008 0.000 0.248 98 R C 2.004 178.263 176.300 -0.068 0.000 1.155 98 R CA 1.626 57.630 56.100 -0.160 0.000 0.979 98 R CB -0.480 29.744 30.300 -0.127 0.000 0.869 98 R HN 0.327 nan 8.270 nan 0.000 0.452 99 K N -0.914 119.436 120.400 -0.083 0.000 2.358 99 K HA 0.049 4.365 4.320 -0.008 0.000 0.197 99 K C 0.149 176.559 176.600 -0.317 0.000 1.025 99 K CA 0.449 56.650 56.287 -0.143 0.000 1.104 99 K CB 0.478 32.889 32.500 -0.147 0.000 0.855 99 K HN 0.105 nan 8.250 nan 0.000 0.531 100 Y N -1.769 118.381 120.300 -0.251 0.000 2.648 100 Y HA 0.469 5.014 4.550 -0.007 0.000 0.270 100 Y C -0.385 175.405 175.900 -0.183 0.000 1.043 100 Y CA -0.309 57.667 58.100 -0.207 0.000 1.238 100 Y CB 1.603 39.918 38.460 -0.241 0.000 1.385 100 Y HN 0.007 nan 8.280 nan 0.000 0.569 101 A N -0.230 122.557 122.820 -0.055 0.000 2.100 101 A HA 0.375 4.691 4.320 -0.008 0.000 0.249 101 A C -2.583 174.929 177.584 -0.120 0.000 1.447 101 A CA -0.588 51.387 52.037 -0.104 0.000 1.397 101 A CB -0.407 18.516 19.000 -0.129 0.000 1.118 101 A HN -0.051 nan 8.150 nan 0.000 0.764 102 P HA -0.179 nan 4.420 nan 0.000 0.235 102 P C 1.046 178.279 177.300 -0.111 0.000 1.166 102 P CA 1.823 64.851 63.100 -0.120 0.000 0.760 102 P CB 0.026 31.686 31.700 -0.067 0.000 0.815 103 E N -1.459 118.675 120.200 -0.110 0.000 2.340 103 E HA 0.143 4.488 4.350 -0.008 0.000 0.198 103 E C 1.881 178.417 176.600 -0.107 0.000 0.961 103 E CA 0.262 56.602 56.400 -0.099 0.000 0.905 103 E CB -0.692 28.950 29.700 -0.096 0.000 0.884 103 E HN 0.046 nan 8.360 nan 0.000 0.491 104 A N 2.449 125.196 122.820 -0.122 0.000 2.024 104 A HA 0.019 4.334 4.320 -0.008 0.000 0.220 104 A C 1.703 179.214 177.584 -0.122 0.000 1.164 104 A CA 1.167 53.135 52.037 -0.116 0.000 0.643 104 A CB -1.142 17.784 19.000 -0.123 0.000 0.806 104 A HN 0.301 nan 8.150 nan 0.000 0.451 105 G N -1.719 106.986 108.800 -0.159 0.000 2.661 105 G HA2 0.472 4.427 3.960 -0.008 0.000 0.272 105 G HA3 0.472 4.427 3.960 -0.008 0.000 0.272 105 G C 0.966 175.788 174.900 -0.129 0.000 1.296 105 G CA 0.136 45.124 45.100 -0.186 0.000 0.998 105 G HN 1.645 nan 8.290 nan 0.000 0.553 106 G N -1.191 107.514 108.800 -0.160 0.000 2.726 106 G HA2 -0.117 3.839 3.960 -0.008 0.000 0.261 106 G HA3 -0.117 3.839 3.960 -0.008 0.000 0.261 106 G C 1.377 176.338 174.900 0.102 0.000 1.352 106 G CA 0.868 45.859 45.100 -0.181 0.000 0.906 106 G HN 1.699 nan 8.290 nan 0.000 0.566 107 S N -0.927 114.967 115.700 0.324 0.000 2.444 107 S HA 0.141 4.607 4.470 -0.008 0.000 0.225 107 S C 2.314 176.983 174.600 0.115 0.000 1.042 107 S CA 3.559 61.945 58.200 0.310 0.000 1.132 107 S CB -0.714 62.553 63.200 0.112 0.000 1.099 107 S HN 2.846 nan 8.310 nan 0.000 0.417 108 G N -0.907 107.918 108.800 0.042 0.000 2.234 108 G HA2 -0.082 3.874 3.960 -0.008 0.000 0.153 108 G HA3 -0.082 3.874 3.960 -0.008 0.000 0.153 108 G C 0.672 175.592 174.900 0.033 0.000 1.013 108 G CA 0.259 45.368 45.100 0.015 0.000 0.712 108 G HN 0.497 nan 8.290 nan 0.000 0.491 109 I N 0.365 120.965 120.570 0.050 0.000 2.947 109 I HA 0.084 4.249 4.170 -0.008 0.000 0.263 109 I C -0.455 175.702 176.117 0.067 0.000 1.130 109 I CA 0.060 61.434 61.300 0.124 0.000 1.448 109 I CB -0.166 38.065 38.000 0.384 0.000 1.222 109 I HN -0.064 nan 8.210 nan 0.000 0.453 110 P HA -0.189 nan 4.420 nan 0.000 0.217 110 P C 1.168 178.465 177.300 -0.004 0.000 1.148 110 P CA 1.320 64.413 63.100 -0.011 0.000 0.828 110 P CB 0.003 31.664 31.700 -0.065 0.000 0.783 111 E N -1.228 118.964 120.200 -0.013 0.000 2.274 111 E HA -0.069 4.277 4.350 -0.008 0.000 0.194 111 E C 1.859 178.456 176.600 -0.006 0.000 0.996 111 E CA 0.752 57.143 56.400 -0.015 0.000 0.840 111 E CB -0.390 29.292 29.700 -0.030 0.000 0.772 111 E HN 0.304 nan 8.360 nan 0.000 0.491 112 I N 0.333 120.906 120.570 0.005 0.000 2.628 112 I HA -0.103 4.063 4.170 -0.008 0.000 0.255 112 I C 2.410 178.520 176.117 -0.011 0.000 1.119 112 I CA 0.563 61.865 61.300 0.003 0.000 1.448 112 I CB -0.743 37.266 38.000 0.016 0.000 1.133 112 I HN 0.131 nan 8.210 nan 0.000 0.438 113 E N 1.226 121.425 120.200 -0.003 0.000 2.118 113 E HA -0.190 4.156 4.350 -0.008 0.000 0.195 113 E C 2.198 178.783 176.600 -0.024 0.000 0.992 113 E CA 1.570 57.954 56.400 -0.027 0.000 0.804 113 E CB -0.126 29.576 29.700 0.004 0.000 0.741 113 E HN 0.456 nan 8.360 nan 0.000 0.458 114 G N 0.586 109.383 108.800 -0.005 0.000 2.424 114 G HA2 -0.205 3.750 3.960 -0.008 0.000 0.214 114 G HA3 -0.205 3.750 3.960 -0.008 0.000 0.214 114 G C 1.695 176.594 174.900 -0.002 0.000 1.202 114 G CA 0.785 45.887 45.100 0.003 0.000 0.793 114 G HN 0.406 nan 8.290 nan 0.000 0.534 115 A N 0.430 123.250 122.820 -0.000 0.000 2.093 115 A HA -0.010 4.306 4.320 -0.008 0.000 0.222 115 A C 2.384 179.961 177.584 -0.011 0.000 1.162 115 A CA 1.310 53.354 52.037 0.011 0.000 0.655 115 A CB -0.385 18.627 19.000 0.021 0.000 0.805 115 A HN 0.385 nan 8.150 nan 0.000 0.461 116 L N -0.930 120.251 121.223 -0.069 0.000 2.141 116 L HA -0.115 4.221 4.340 -0.008 0.000 0.209 116 L C 1.754 178.493 176.870 -0.218 0.000 1.094 116 L CA 1.125 55.850 54.840 -0.192 0.000 0.763 116 L CB -0.323 41.611 42.059 -0.208 0.000 0.908 116 L HN 0.443 nan 8.230 nan 0.000 0.437 117 E N -0.263 119.890 120.200 -0.079 0.000 2.368 117 E HA -0.030 4.316 4.350 -0.008 0.000 0.188 117 E C -0.463 176.166 176.600 0.048 0.000 1.061 117 E CA -0.102 56.292 56.400 -0.011 0.000 0.933 117 E CB 0.117 29.828 29.700 0.018 0.000 1.091 117 E HN 0.330 nan 8.360 nan 0.000 0.458 118 D N 1.151 121.590 120.400 0.064 0.000 2.792 118 D HA -0.202 4.434 4.640 -0.008 0.000 0.231 118 D C 0.783 177.120 176.300 0.061 0.000 1.160 118 D CA 0.552 54.605 54.000 0.087 0.000 0.697 118 D CB -0.359 40.513 40.800 0.120 0.000 1.070 118 D HN 0.298 nan 8.370 nan 0.000 0.426 119 Q N -0.770 119.056 119.800 0.044 0.000 2.352 119 Q HA 0.109 4.444 4.340 -0.008 0.000 0.212 119 Q C 0.753 176.770 176.000 0.029 0.000 0.888 119 Q CA 0.675 56.499 55.803 0.035 0.000 0.934 119 Q CB 0.798 29.555 28.738 0.031 0.000 1.093 119 Q HN 0.323 nan 8.270 nan 0.000 0.523 120 R N 0.104 120.621 120.500 0.029 0.000 2.774 120 R HA 0.606 4.941 4.340 -0.008 0.000 0.272 120 R C -2.617 173.704 176.300 0.034 0.000 1.000 120 R CA -1.991 54.122 56.100 0.022 0.000 0.906 120 R CB 0.362 30.666 30.300 0.007 0.000 1.227 120 R HN -0.126 nan 8.270 nan 0.000 0.468 121 P HA 0.386 nan 4.420 nan 0.000 0.290 121 P C -0.486 176.824 177.300 0.018 0.000 1.283 121 P CA -0.780 62.349 63.100 0.049 0.000 0.869 121 P CB 1.130 32.868 31.700 0.064 0.000 1.100 122 V N 2.924 122.878 119.914 0.067 0.000 2.112 122 V HA 0.172 4.287 4.120 -0.008 0.000 0.271 122 V C 0.971 177.006 176.094 -0.099 0.000 1.465 122 V CA -0.278 62.055 62.300 0.054 0.000 1.419 122 V CB -1.078 30.852 31.823 0.179 0.000 1.409 122 V HN 0.408 nan 8.190 nan 0.000 0.495 123 R N 3.140 123.362 120.500 -0.465 0.000 4.113 123 R HA -0.015 4.320 4.340 -0.008 0.000 0.179 123 R C 1.503 176.922 176.300 -1.468 0.000 1.781 123 R CA -0.092 55.073 56.100 -1.559 0.000 1.402 123 R CB -0.128 29.531 30.300 -1.068 0.000 1.375 123 R HN 0.899 nan 8.270 nan 0.000 0.786 124 W N 1.084 121.897 121.300 -0.812 0.000 2.363 124 W HA -0.223 4.433 4.660 -0.008 0.000 0.296 124 W C 0.839 177.183 176.519 -0.291 0.000 1.212 124 W CA 0.480 57.617 57.345 -0.348 0.000 1.260 124 W CB -1.131 28.301 29.460 -0.046 0.000 1.131 124 W HN 0.484 nan 8.180 nan 0.000 0.530 125 W N 1.879 122.707 121.300 -0.787 0.000 2.560 125 W HA 0.057 4.713 4.660 -0.007 0.000 0.252 125 W C 1.792 178.206 176.519 -0.175 0.000 1.242 125 W CA 1.190 58.188 57.345 -0.579 0.000 1.242 125 W CB -0.988 27.933 29.460 -0.897 0.000 1.136 125 W HN -0.150 nan 8.180 nan 0.000 0.625 126 R N -0.236 119.887 120.500 -0.628 0.000 2.411 126 R HA 0.068 4.403 4.340 -0.008 0.000 0.176 126 R C 2.102 178.271 176.300 -0.219 0.000 1.072 126 R CA 0.614 56.506 56.100 -0.347 0.000 1.132 126 R CB -0.573 29.463 30.300 -0.440 0.000 1.203 126 R HN 0.073 nan 8.270 nan 0.000 0.537 127 V N 2.816 122.555 119.914 -0.292 0.000 2.453 127 V HA -0.252 3.864 4.120 -0.008 0.000 0.252 127 V C 2.364 178.405 176.094 -0.088 0.000 1.068 127 V CA 1.666 63.862 62.300 -0.173 0.000 1.070 127 V CB -0.629 31.084 31.823 -0.184 0.000 0.664 127 V HN 0.243 nan 8.190 nan 0.000 0.461 128 L N 0.468 121.667 121.223 -0.041 0.000 1.921 128 L HA -0.096 4.240 4.340 -0.008 0.000 0.219 128 L C 0.547 177.417 176.870 0.000 0.000 1.081 128 L CA 2.274 57.104 54.840 -0.016 0.000 0.771 128 L CB -1.991 40.103 42.059 0.059 0.000 0.888 128 L HN 0.314 nan 8.230 nan 0.000 0.433 129 P HA -0.161 nan 4.420 nan 0.000 0.216 129 P C 1.856 179.291 177.300 0.225 0.000 1.153 129 P CA 1.625 64.856 63.100 0.219 0.000 0.858 129 P CB -0.089 31.787 31.700 0.294 0.000 0.789 130 V N 0.859 120.812 119.914 0.066 0.000 2.255 130 V HA -0.237 3.879 4.120 -0.008 0.000 0.247 130 V C 2.812 178.910 176.094 0.007 0.000 1.051 130 V CA 2.453 64.748 62.300 -0.010 0.000 1.018 130 V CB -1.258 30.513 31.823 -0.087 0.000 0.641 130 V HN 0.100 nan 8.190 nan 0.000 0.445 131 K N -0.424 119.967 120.400 -0.015 0.000 2.097 131 K HA -0.112 4.204 4.320 -0.008 0.000 0.205 131 K C 1.755 178.376 176.600 0.035 0.000 1.050 131 K CA 1.338 57.606 56.287 -0.032 0.000 0.938 131 K CB -0.457 31.990 32.500 -0.089 0.000 0.718 131 K HN 0.455 nan 8.250 nan 0.000 0.442 132 F N -0.423 119.427 119.950 -0.167 0.000 1.978 132 F HA -0.208 4.314 4.527 -0.007 0.000 0.296 132 F C 1.556 177.353 175.800 -0.005 0.000 1.251 132 F CA 1.291 59.172 58.000 -0.197 0.000 1.166 132 F CB -0.337 38.370 39.000 -0.488 0.000 0.965 132 F HN -0.041 nan 8.300 nan 0.000 0.498 133 F N 1.260 121.277 119.950 0.113 0.000 2.111 133 F HA -0.247 4.275 4.527 -0.008 0.000 0.300 133 F C 2.582 178.466 175.800 0.140 0.000 1.088 133 F CA 1.397 59.421 58.000 0.039 0.000 1.243 133 F CB -1.795 37.301 39.000 0.161 0.000 0.996 133 F HN 0.218 nan 8.300 nan 0.000 0.483 134 G N -0.331 108.600 108.800 0.218 0.000 2.476 134 G HA2 -0.208 3.747 3.960 -0.008 0.000 0.218 134 G HA3 -0.208 3.747 3.960 -0.008 0.000 0.218 134 G C 2.065 177.035 174.900 0.118 0.000 1.164 134 G CA 1.063 46.209 45.100 0.078 0.000 0.768 134 G HN 0.572 nan 8.290 nan 0.000 0.560 135 G N 0.702 109.598 108.800 0.159 0.000 2.404 135 G HA2 -0.078 3.878 3.960 -0.008 0.000 0.215 135 G HA3 -0.078 3.878 3.960 -0.008 0.000 0.215 135 G C 1.743 176.724 174.900 0.135 0.000 1.174 135 G CA 0.928 46.161 45.100 0.222 0.000 0.780 135 G HN 0.328 nan 8.290 nan 0.000 0.537 136 L N 1.683 122.940 121.223 0.057 0.000 2.064 136 L HA -0.068 4.267 4.340 -0.008 0.000 0.216 136 L C 3.064 179.937 176.870 0.007 0.000 1.077 136 L CA 1.982 56.755 54.840 -0.113 0.000 0.766 136 L CB -1.043 40.915 42.059 -0.169 0.000 0.890 136 L HN 0.264 nan 8.230 nan 0.000 0.435 137 G N -1.561 107.321 108.800 0.137 0.000 2.421 137 G HA2 -0.246 3.710 3.960 -0.008 0.000 0.216 137 G HA3 -0.246 3.710 3.960 -0.008 0.000 0.216 137 G C 1.560 176.527 174.900 0.112 0.000 1.171 137 G CA 1.338 46.548 45.100 0.183 0.000 0.775 137 G HN 0.477 nan 8.290 nan 0.000 0.543 138 T N -0.165 114.439 114.554 0.083 0.000 2.942 138 T HA 0.168 4.514 4.350 -0.008 0.000 0.265 138 T C 2.382 177.099 174.700 0.029 0.000 1.062 138 T CA 0.655 62.782 62.100 0.045 0.000 1.139 138 T CB -0.071 68.791 68.868 -0.011 0.000 0.883 138 T HN 0.182 nan 8.240 nan 0.000 0.468 139 L N 0.750 121.982 121.223 0.015 0.000 2.145 139 L HA 0.300 4.635 4.340 -0.008 0.000 0.201 139 L C 3.116 179.959 176.870 -0.046 0.000 1.075 139 L CA 0.934 55.761 54.840 -0.022 0.000 0.773 139 L CB -0.922 41.104 42.059 -0.056 0.000 0.936 139 L HN 0.392 nan 8.230 nan 0.000 0.451 140 G N -0.152 108.614 108.800 -0.057 0.000 2.470 140 G HA2 -0.171 3.784 3.960 -0.008 0.000 0.220 140 G HA3 -0.171 3.784 3.960 -0.008 0.000 0.220 140 G C 1.482 176.365 174.900 -0.028 0.000 1.121 140 G CA 0.764 45.835 45.100 -0.047 0.000 0.766 140 G HN 0.491 nan 8.290 nan 0.000 0.553 141 G N -0.494 108.299 108.800 -0.011 0.000 2.603 141 G HA2 0.373 4.328 3.960 -0.008 0.000 0.214 141 G HA3 0.373 4.328 3.960 -0.008 0.000 0.214 141 G C 1.058 175.949 174.900 -0.015 0.000 1.140 141 G CA 0.501 45.594 45.100 -0.011 0.000 0.800 141 G HN 1.398 nan 8.290 nan 0.000 0.533 142 G N 0.132 108.926 108.800 -0.011 0.000 2.414 142 G HA2 -0.206 3.749 3.960 -0.008 0.000 0.256 142 G HA3 -0.206 3.749 3.960 -0.008 0.000 0.256 142 G C 0.128 175.031 174.900 0.005 0.000 1.128 142 G CA 0.108 45.204 45.100 -0.007 0.000 0.944 142 G HN 0.376 nan 8.290 nan 0.000 0.500 143 M N -0.616 118.992 119.600 0.013 0.000 2.371 143 M HA 0.446 4.921 4.480 -0.008 0.000 0.301 143 M C 1.048 177.363 176.300 0.025 0.000 1.173 143 M CA -0.869 54.450 55.300 0.030 0.000 1.020 143 M CB 1.511 34.143 32.600 0.053 0.000 1.490 143 M HN -0.057 nan 8.290 nan 0.000 0.485 144 V N 3.698 123.636 119.914 0.040 0.000 2.055 144 V HA 0.215 4.331 4.120 -0.008 0.000 0.248 144 V C -0.347 175.772 176.094 0.043 0.000 1.476 144 V CA 0.298 62.616 62.300 0.030 0.000 1.417 144 V CB -1.611 30.238 31.823 0.045 0.000 1.465 144 V HN 0.493 nan 8.190 nan 0.000 0.502 145 L N 2.314 123.547 121.223 0.017 0.000 2.505 145 L HA 0.644 4.980 4.340 -0.008 0.000 0.266 145 L C 0.703 177.562 176.870 -0.019 0.000 0.954 145 L CA -0.547 54.308 54.840 0.026 0.000 0.852 145 L CB 1.948 44.053 42.059 0.078 0.000 1.282 145 L HN 0.493 nan 8.230 nan 0.000 0.403 146 G N 1.161 109.935 108.800 -0.042 0.000 2.634 146 G HA2 0.327 4.282 3.960 -0.008 0.000 0.255 146 G HA3 0.327 4.282 3.960 -0.008 0.000 0.255 146 G C 0.540 175.457 174.900 0.028 0.000 1.205 146 G CA -0.349 44.705 45.100 -0.076 0.000 0.884 146 G HN 0.898 nan 8.290 nan 0.000 0.549 147 R N -1.014 119.511 120.500 0.043 0.000 2.437 147 R HA 0.182 4.517 4.340 -0.008 0.000 0.257 147 R C 1.393 177.799 176.300 0.176 0.000 0.927 147 R CA -0.204 56.022 56.100 0.211 0.000 1.078 147 R CB 0.155 30.658 30.300 0.339 0.000 1.161 147 R HN 0.388 nan 8.270 nan 0.000 0.529 148 Q N 1.561 121.441 119.800 0.134 0.000 1.916 148 Q HA 0.005 4.341 4.340 -0.008 0.000 0.203 148 Q C 2.160 178.278 176.000 0.197 0.000 0.983 148 Q CA 2.095 58.043 55.803 0.243 0.000 0.846 148 Q CB -1.153 27.899 28.738 0.524 0.000 0.909 148 Q HN 0.390 nan 8.270 nan 0.000 0.427 149 G N 2.557 111.485 108.800 0.212 0.000 2.681 149 G HA2 -0.273 3.682 3.960 -0.008 0.000 0.220 149 G HA3 -0.273 3.682 3.960 -0.008 0.000 0.220 149 G C -0.969 173.980 174.900 0.082 0.000 1.210 149 G CA 1.395 46.586 45.100 0.151 0.000 0.783 149 G HN 0.341 nan 8.290 nan 0.000 0.609 150 P HA -0.101 nan 4.420 nan 0.000 0.218 150 P C 1.926 179.142 177.300 -0.139 0.000 1.150 150 P CA 2.039 65.115 63.100 -0.040 0.000 0.841 150 P CB -0.265 31.417 31.700 -0.030 0.000 0.784 151 T N -1.734 112.758 114.554 -0.103 0.000 2.942 151 T HA -0.047 4.298 4.350 -0.008 0.000 0.265 151 T C 1.830 176.494 174.700 -0.060 0.000 1.062 151 T CA 0.681 62.703 62.100 -0.129 0.000 1.139 151 T CB -0.903 67.945 68.868 -0.034 0.000 0.883 151 T HN -0.086 nan 8.240 nan 0.000 0.468 152 V N 1.629 121.542 119.914 -0.001 0.000 2.332 152 V HA -0.241 3.875 4.120 -0.008 0.000 0.248 152 V C 2.688 178.782 176.094 0.000 0.000 1.055 152 V CA 1.836 64.149 62.300 0.022 0.000 1.038 152 V CB -0.564 31.301 31.823 0.070 0.000 0.651 152 V HN 0.490 nan 8.190 nan 0.000 0.450 153 Q N -0.682 119.110 119.800 -0.015 0.000 2.119 153 Q HA -0.139 4.196 4.340 -0.008 0.000 0.201 153 Q C 2.246 178.208 176.000 -0.063 0.000 0.972 153 Q CA 1.600 57.385 55.803 -0.031 0.000 0.847 153 Q CB -0.073 28.643 28.738 -0.038 0.000 0.903 153 Q HN 0.629 nan 8.270 nan 0.000 0.433 154 I N 0.063 120.569 120.570 -0.107 0.000 2.361 154 I HA -0.193 3.972 4.170 -0.008 0.000 0.251 154 I C 2.217 178.268 176.117 -0.110 0.000 1.133 154 I CA 1.038 62.254 61.300 -0.140 0.000 1.413 154 I CB -0.747 37.114 38.000 -0.232 0.000 1.073 154 I HN 0.331 nan 8.210 nan 0.000 0.424 155 G N 1.075 109.825 108.800 -0.083 0.000 2.484 155 G HA2 -0.185 3.770 3.960 -0.008 0.000 0.215 155 G HA3 -0.185 3.770 3.960 -0.008 0.000 0.215 155 G C 1.718 176.588 174.900 -0.050 0.000 1.219 155 G CA 0.882 45.945 45.100 -0.062 0.000 0.791 155 G HN 0.443 nan 8.290 nan 0.000 0.550 156 G N 1.373 110.156 108.800 -0.028 0.000 2.599 156 G HA2 -0.380 3.575 3.960 -0.008 0.000 0.219 156 G HA3 -0.380 3.575 3.960 -0.008 0.000 0.219 156 G C 1.714 176.604 174.900 -0.016 0.000 1.193 156 G CA 1.547 46.640 45.100 -0.013 0.000 0.778 156 G HN 0.487 nan 8.290 nan 0.000 0.589 157 N N 0.507 119.201 118.700 -0.010 0.000 2.192 157 N HA -0.100 4.636 4.740 -0.008 0.000 0.188 157 N C 2.005 177.453 175.510 -0.102 0.000 1.013 157 N CA 1.065 54.129 53.050 0.022 0.000 0.863 157 N CB -0.131 38.393 38.487 0.062 0.000 0.990 157 N HN 0.275 nan 8.380 nan 0.000 0.430 158 I N 0.089 120.586 120.570 -0.120 0.000 2.252 158 I HA -0.067 4.099 4.170 -0.008 0.000 0.245 158 I C 2.342 178.350 176.117 -0.181 0.000 1.102 158 I CA 1.063 62.258 61.300 -0.176 0.000 1.385 158 I CB -1.743 36.177 38.000 -0.133 0.000 1.064 158 I HN 0.149 nan 8.210 nan 0.000 0.414 159 G N 0.879 109.613 108.800 -0.110 0.000 2.464 159 G HA2 -0.299 3.657 3.960 -0.008 0.000 0.214 159 G HA3 -0.299 3.657 3.960 -0.008 0.000 0.214 159 G C 1.790 176.632 174.900 -0.097 0.000 1.218 159 G CA 0.824 45.880 45.100 -0.072 0.000 0.794 159 G HN 0.204 nan 8.290 nan 0.000 0.542 160 R N 0.248 120.707 120.500 -0.070 0.000 2.170 160 R HA 0.014 4.349 4.340 -0.008 0.000 0.242 160 R C 2.378 178.530 176.300 -0.247 0.000 1.145 160 R CA 1.683 57.763 56.100 -0.033 0.000 0.984 160 R CB -0.649 29.724 30.300 0.122 0.000 0.869 160 R HN 0.462 nan 8.270 nan 0.000 0.455 161 M N -0.345 118.888 119.600 -0.612 0.000 2.175 161 M HA -0.110 4.365 4.480 -0.008 0.000 0.264 161 M C 1.785 177.681 176.300 -0.673 0.000 1.063 161 M CA 1.935 56.502 55.300 -1.221 0.000 1.119 161 M CB 0.038 31.788 32.600 -1.417 0.000 1.377 161 M HN 0.141 nan 8.290 nan 0.000 0.415 162 V N -1.040 118.637 119.914 -0.396 0.000 2.591 162 V HA -0.138 3.978 4.120 -0.008 0.000 0.249 162 V C 2.128 178.127 176.094 -0.158 0.000 1.053 162 V CA 1.099 63.212 62.300 -0.312 0.000 1.068 162 V CB -1.109 30.727 31.823 0.021 0.000 0.689 162 V HN 0.530 nan 8.190 nan 0.000 0.462 163 L N 1.831 123.028 121.223 -0.044 0.000 2.042 163 L HA -0.146 4.190 4.340 -0.008 0.000 0.210 163 L C 2.051 178.939 176.870 0.031 0.000 1.076 163 L CA 2.575 57.447 54.840 0.055 0.000 0.749 163 L CB -1.140 40.953 42.059 0.057 0.000 0.893 163 L HN 0.353 nan 8.230 nan 0.000 0.432 164 D N -0.657 119.732 120.400 -0.017 0.000 2.162 164 D HA -0.067 4.569 4.640 -0.008 0.000 0.203 164 D C 2.332 178.594 176.300 -0.063 0.000 0.967 164 D CA 1.329 55.352 54.000 0.039 0.000 0.840 164 D CB -0.079 40.850 40.800 0.215 0.000 0.972 164 D HN 0.415 nan 8.370 nan 0.000 0.482 165 I N -0.263 120.142 120.570 -0.276 0.000 2.614 165 I HA -0.185 3.980 4.170 -0.008 0.000 0.258 165 I C 0.803 176.647 176.117 -0.456 0.000 1.189 165 I CA 0.769 61.801 61.300 -0.447 0.000 1.462 165 I CB 0.030 37.574 38.000 -0.759 0.000 1.092 165 I HN -0.084 nan 8.210 nan 0.000 0.442 166 F N 0.721 120.681 119.950 0.017 0.000 2.682 166 F HA 0.250 4.773 4.527 -0.008 0.000 0.308 166 F C 0.881 176.696 175.800 0.024 0.000 1.093 166 F CA -0.675 57.339 58.000 0.023 0.000 1.244 166 F CB -0.008 39.010 39.000 0.030 0.000 1.052 166 F HN -0.060 nan 8.300 nan 0.000 0.573 167 R N -0.736 119.850 120.500 0.143 0.000 3.826 167 R HA -0.249 4.086 4.340 -0.008 0.000 0.295 167 R C -0.401 175.962 176.300 0.105 0.000 1.200 167 R CA 0.244 56.405 56.100 0.101 0.000 0.818 167 R CB -3.137 27.208 30.300 0.075 0.000 1.216 167 R HN 0.275 nan 8.270 nan 0.000 0.513 168 L N 0.862 122.168 121.223 0.139 0.000 2.514 168 L HA 0.161 4.497 4.340 -0.008 0.000 0.280 168 L C 0.973 177.887 176.870 0.074 0.000 1.223 168 L CA 1.164 56.066 54.840 0.103 0.000 0.864 168 L CB 0.035 42.164 42.059 0.117 0.000 1.118 168 L HN 0.155 nan 8.230 nan 0.000 0.494 169 K N 0.824 121.255 120.400 0.050 0.000 2.444 169 K HA 0.772 5.087 4.320 -0.008 0.000 0.252 169 K C -0.680 175.931 176.600 0.018 0.000 0.993 169 K CA -0.370 55.938 56.287 0.035 0.000 0.847 169 K CB 2.064 34.582 32.500 0.030 0.000 1.340 169 K HN 0.780 nan 8.250 nan 0.000 0.446 170 G N 3.082 111.882 108.800 0.001 0.000 3.251 170 G HA2 -0.123 3.833 3.960 -0.008 0.000 0.680 170 G HA3 -0.123 3.833 3.960 -0.008 0.000 0.680 170 G C -0.103 174.764 174.900 -0.055 0.000 1.129 170 G CA -0.109 44.979 45.100 -0.020 0.000 0.994 170 G HN 0.872 nan 8.290 nan 0.000 0.450 171 D N 0.124 120.451 120.400 -0.120 0.000 6.539 171 D HA -0.309 4.326 4.640 -0.008 0.000 0.328 171 D C 1.831 177.987 176.300 -0.240 0.000 1.918 171 D CA 2.414 56.238 54.000 -0.292 0.000 0.853 171 D CB -0.187 40.444 40.800 -0.281 0.000 0.502 171 D HN 0.757 nan 8.370 nan 0.000 1.020 172 E N -0.356 119.790 120.200 -0.089 0.000 2.023 172 E HA -0.185 4.160 4.350 -0.008 0.000 0.196 172 E C 2.118 178.731 176.600 0.022 0.000 1.003 172 E CA 1.224 57.620 56.400 -0.006 0.000 0.809 172 E CB -0.199 29.511 29.700 0.018 0.000 0.755 172 E HN 0.365 nan 8.360 nan 0.000 0.449 173 A N 0.831 123.662 122.820 0.018 0.000 2.125 173 A HA -0.166 4.150 4.320 -0.008 0.000 0.219 173 A C 2.018 179.635 177.584 0.054 0.000 1.156 173 A CA 1.192 53.255 52.037 0.042 0.000 0.671 173 A CB -0.308 18.718 19.000 0.045 0.000 0.794 173 A HN 0.108 nan 8.150 nan 0.000 0.459 174 R N -1.709 118.812 120.500 0.035 0.000 2.087 174 R HA 0.038 4.373 4.340 -0.008 0.000 0.216 174 R C 1.950 178.350 176.300 0.166 0.000 1.114 174 R CA 0.909 57.054 56.100 0.075 0.000 1.002 174 R CB -0.269 30.052 30.300 0.035 0.000 0.903 174 R HN 0.750 nan 8.270 nan 0.000 0.445 175 H N -1.056 118.030 119.070 0.026 0.000 2.395 175 H HA -0.034 4.518 4.556 -0.007 0.000 0.299 175 H C 1.733 177.063 175.328 0.003 0.000 1.070 175 H CA 1.352 57.406 56.048 0.010 0.000 1.356 175 H CB 0.319 30.080 29.762 -0.002 0.000 1.401 175 H HN 0.186 nan 8.280 nan 0.000 0.524 176 T N 1.111 115.751 114.554 0.143 0.000 2.588 176 T HA -0.127 4.218 4.350 -0.008 0.000 0.261 176 T C 2.192 176.928 174.700 0.060 0.000 1.069 176 T CA 0.855 63.002 62.100 0.078 0.000 1.172 176 T CB -0.396 68.509 68.868 0.062 0.000 0.863 176 T HN 0.174 nan 8.240 nan 0.000 0.408 177 L N 0.545 121.805 121.223 0.062 0.000 2.129 177 L HA -0.136 4.200 4.340 -0.008 0.000 0.212 177 L C 2.491 179.383 176.870 0.036 0.000 1.087 177 L CA 1.053 55.921 54.840 0.047 0.000 0.757 177 L CB -0.513 41.580 42.059 0.057 0.000 0.896 177 L HN 0.261 nan 8.230 nan 0.000 0.434 178 L N -0.408 120.846 121.223 0.052 0.000 2.072 178 L HA -0.115 4.220 4.340 -0.008 0.000 0.205 178 L C 2.615 179.493 176.870 0.014 0.000 1.079 178 L CA 1.567 56.430 54.840 0.038 0.000 0.752 178 L CB -0.273 41.822 42.059 0.061 0.000 0.906 178 L HN 0.138 nan 8.230 nan 0.000 0.436 179 A N -1.260 121.566 122.820 0.010 0.000 1.968 179 A HA -0.166 4.150 4.320 -0.008 0.000 0.217 179 A C 2.382 179.964 177.584 -0.003 0.000 1.169 179 A CA 1.708 53.738 52.037 -0.012 0.000 0.638 179 A CB -1.131 17.852 19.000 -0.028 0.000 0.812 179 A HN 0.570 nan 8.150 nan 0.000 0.446 180 T N -2.547 112.011 114.554 0.008 0.000 2.867 180 T HA 0.026 4.372 4.350 -0.008 0.000 0.268 180 T C 1.845 176.543 174.700 -0.004 0.000 1.057 180 T CA 1.740 63.844 62.100 0.006 0.000 1.136 180 T CB -0.673 68.203 68.868 0.013 0.000 0.874 180 T HN 0.351 nan 8.240 nan 0.000 0.466 181 G N 0.629 109.425 108.800 -0.006 0.000 2.443 181 G HA2 0.166 4.122 3.960 -0.008 0.000 0.219 181 G HA3 0.166 4.122 3.960 -0.008 0.000 0.219 181 G C 1.827 176.720 174.900 -0.011 0.000 1.131 181 G CA 0.684 45.773 45.100 -0.017 0.000 0.775 181 G HN 0.745 nan 8.290 nan 0.000 0.547 182 A N 0.902 123.723 122.820 0.000 0.000 1.897 182 A HA 0.454 4.770 4.320 -0.008 0.000 0.215 182 A C 2.714 180.318 177.584 0.033 0.000 1.181 182 A CA 1.905 53.953 52.037 0.019 0.000 0.620 182 A CB -0.524 18.491 19.000 0.024 0.000 0.821 182 A HN 0.597 nan 8.150 nan 0.000 0.443 183 A N -0.254 122.579 122.820 0.021 0.000 1.903 183 A HA 0.347 4.663 4.320 -0.008 0.000 0.213 183 A C 2.455 180.032 177.584 -0.011 0.000 1.185 183 A CA 1.502 53.547 52.037 0.013 0.000 0.628 183 A CB -0.979 18.016 19.000 -0.009 0.000 0.830 183 A HN 1.004 nan 8.150 nan 0.000 0.446 184 A N -0.180 122.632 122.820 -0.014 0.000 1.948 184 A HA 0.003 4.318 4.320 -0.008 0.000 0.220 184 A C 2.306 179.885 177.584 -0.009 0.000 1.177 184 A CA 2.185 54.212 52.037 -0.017 0.000 0.636 184 A CB -1.284 17.706 19.000 -0.016 0.000 0.815 184 A HN 0.683 nan 8.150 nan 0.000 0.449 185 G N -0.473 108.325 108.800 -0.004 0.000 2.424 185 G HA2 -0.047 3.908 3.960 -0.008 0.000 0.214 185 G HA3 -0.047 3.908 3.960 -0.008 0.000 0.214 185 G C 1.394 176.313 174.900 0.032 0.000 1.202 185 G CA 0.914 46.016 45.100 0.004 0.000 0.793 185 G HN 0.627 nan 8.290 nan 0.000 0.534 186 L N 1.195 122.436 121.223 0.031 0.000 2.450 186 L HA 0.262 4.597 4.340 -0.008 0.000 0.224 186 L C 2.559 179.459 176.870 0.050 0.000 1.149 186 L CA 1.604 56.470 54.840 0.043 0.000 0.816 186 L CB -0.215 41.794 42.059 -0.083 0.000 0.932 186 L HN 0.241 nan 8.230 nan 0.000 0.449 187 A N -0.699 122.125 122.820 0.006 0.000 1.884 187 A HA 0.287 4.602 4.320 -0.008 0.000 0.212 187 A C 2.379 179.928 177.584 -0.059 0.000 1.265 187 A CA 0.695 52.715 52.037 -0.029 0.000 0.626 187 A CB -1.187 17.779 19.000 -0.057 0.000 0.943 187 A HN 0.405 nan 8.150 nan 0.000 0.466 188 A N 0.137 122.924 122.820 -0.054 0.000 2.093 188 A HA 0.058 4.373 4.320 -0.008 0.000 0.222 188 A C 2.235 179.661 177.584 -0.264 0.000 1.162 188 A CA 2.336 54.310 52.037 -0.105 0.000 0.655 188 A CB -0.951 18.067 19.000 0.030 0.000 0.805 188 A HN 0.996 nan 8.150 nan 0.000 0.461 189 A N -0.524 122.249 122.820 -0.078 0.000 1.861 189 A HA 0.231 4.546 4.320 -0.008 0.000 0.214 189 A C 1.465 178.982 177.584 -0.112 0.000 1.322 189 A CA 1.180 53.198 52.037 -0.032 0.000 0.601 189 A CB -0.995 18.093 19.000 0.147 0.000 0.966 189 A HN 0.451 nan 8.150 nan 0.000 0.471 190 F N 0.477 120.354 119.950 -0.123 0.000 2.664 190 F HA 0.017 4.540 4.527 -0.008 0.000 0.297 190 F C 1.047 176.715 175.800 -0.220 0.000 1.164 190 F CA 0.701 58.627 58.000 -0.122 0.000 1.472 190 F CB -1.604 37.362 39.000 -0.056 0.000 1.108 190 F HN 0.528 nan 8.300 nan 0.000 0.596 191 N N 0.289 118.868 118.700 -0.202 0.000 2.725 191 N HA -0.219 4.517 4.740 -0.008 0.000 0.251 191 N C -0.640 174.837 175.510 -0.054 0.000 1.031 191 N CA 0.695 53.597 53.050 -0.247 0.000 0.720 191 N CB -0.832 37.532 38.487 -0.205 0.000 0.930 191 N HN 0.320 nan 8.380 nan 0.000 0.543 192 A N 0.497 123.293 122.820 -0.040 0.000 2.893 192 A HA 0.479 4.795 4.320 -0.008 0.000 0.333 192 A C -1.066 176.465 177.584 -0.089 0.000 1.152 192 A CA -0.761 51.244 52.037 -0.054 0.000 0.782 192 A CB 1.059 20.017 19.000 -0.071 0.000 1.108 192 A HN 0.276 nan 8.150 nan 0.000 0.469 193 P HA -0.225 nan 4.420 nan 0.000 0.216 193 P C 1.545 178.730 177.300 -0.192 0.000 1.153 193 P CA 1.060 64.078 63.100 -0.138 0.000 0.858 193 P CB 0.168 31.792 31.700 -0.127 0.000 0.789 194 L N -0.232 120.894 121.223 -0.161 0.000 1.976 194 L HA -0.153 4.183 4.340 -0.008 0.000 0.209 194 L C 2.913 179.704 176.870 -0.132 0.000 1.071 194 L CA 1.904 56.648 54.840 -0.161 0.000 0.746 194 L CB -1.649 40.351 42.059 -0.099 0.000 0.890 194 L HN -0.044 nan 8.230 nan 0.000 0.432 195 A N 0.449 123.198 122.820 -0.119 0.000 1.997 195 A HA -0.184 4.131 4.320 -0.008 0.000 0.221 195 A C 2.331 179.852 177.584 -0.106 0.000 1.172 195 A CA 1.943 53.906 52.037 -0.124 0.000 0.645 195 A CB -1.217 17.663 19.000 -0.199 0.000 0.813 195 A HN 0.519 nan 8.150 nan 0.000 0.454 196 G N 0.029 108.759 108.800 -0.117 0.000 2.464 196 G HA2 -0.140 3.815 3.960 -0.008 0.000 0.214 196 G HA3 -0.140 3.815 3.960 -0.008 0.000 0.214 196 G C 1.515 176.395 174.900 -0.034 0.000 1.218 196 G CA 1.020 46.076 45.100 -0.072 0.000 0.794 196 G HN 0.458 nan 8.290 nan 0.000 0.542 197 I N 0.498 120.996 120.570 -0.120 0.000 2.091 197 I HA -0.179 3.987 4.170 -0.008 0.000 0.239 197 I C 2.649 178.741 176.117 -0.043 0.000 1.061 197 I CA 0.667 61.898 61.300 -0.115 0.000 1.317 197 I CB -0.270 37.573 38.000 -0.262 0.000 1.031 197 I HN 0.046 nan 8.210 nan 0.000 0.401 198 L N -0.254 120.946 121.223 -0.039 0.000 2.189 198 L HA -0.268 4.068 4.340 -0.008 0.000 0.214 198 L C 2.454 179.338 176.870 0.022 0.000 1.097 198 L CA 2.007 56.841 54.840 -0.010 0.000 0.764 198 L CB -1.159 40.894 42.059 -0.010 0.000 0.900 198 L HN 0.262 nan 8.230 nan 0.000 0.436 199 F N 0.145 120.014 119.950 -0.135 0.000 2.098 199 F HA -0.198 4.325 4.527 -0.007 0.000 0.294 199 F C 2.317 178.031 175.800 -0.144 0.000 1.107 199 F CA 0.969 58.873 58.000 -0.160 0.000 1.234 199 F CB -0.330 38.550 39.000 -0.199 0.000 1.002 199 F HN -0.071 nan 8.300 nan 0.000 0.472 200 I N 1.459 121.939 120.570 -0.150 0.000 2.044 200 I HA -0.311 3.855 4.170 -0.008 0.000 0.234 200 I C 2.266 178.232 176.117 -0.252 0.000 1.031 200 I CA 1.939 63.097 61.300 -0.235 0.000 1.305 200 I CB -1.045 36.894 38.000 -0.103 0.000 1.026 200 I HN 0.317 nan 8.210 nan 0.000 0.392 201 I N -1.176 119.302 120.570 -0.153 0.000 3.421 201 I HA -0.094 4.071 4.170 -0.008 0.000 0.321 201 I C 1.327 177.352 176.117 -0.153 0.000 1.159 201 I CA 1.214 62.432 61.300 -0.136 0.000 1.207 201 I CB -0.602 37.355 38.000 -0.070 0.000 0.988 201 I HN 0.513 nan 8.210 nan 0.000 0.569 202 E N 0.138 120.204 120.200 -0.223 0.000 2.641 202 E HA -0.047 4.298 4.350 -0.008 0.000 0.201 202 E C 1.051 177.475 176.600 -0.294 0.000 0.921 202 E CA 0.236 56.512 56.400 -0.206 0.000 1.551 202 E CB 0.458 30.077 29.700 -0.134 0.000 1.640 202 E HN 0.523 nan 8.360 nan 0.000 0.906 203 E N -0.484 119.432 120.200 -0.474 0.000 3.701 203 E HA 0.160 4.505 4.350 -0.008 0.000 0.206 203 E C 1.765 178.054 176.600 -0.517 0.000 1.229 203 E CA 0.477 56.544 56.400 -0.555 0.000 1.573 203 E CB -0.081 29.079 29.700 -0.899 0.000 1.449 203 E HN -0.011 nan 8.360 nan 0.000 0.618 204 M N 1.252 120.452 119.600 -0.666 0.000 2.163 204 M HA -0.113 4.362 4.480 -0.008 0.000 0.258 204 M C 1.228 177.359 176.300 -0.281 0.000 1.071 204 M CA 1.180 56.236 55.300 -0.405 0.000 1.093 204 M CB -1.325 31.061 32.600 -0.357 0.000 1.285 204 M HN 0.124 nan 8.290 nan 0.000 0.420 205 R N 2.791 123.126 120.500 -0.275 0.000 2.489 205 R HA -0.079 4.256 4.340 -0.008 0.000 0.287 205 R C -2.238 173.920 176.300 -0.237 0.000 0.902 205 R CA -0.543 55.416 56.100 -0.236 0.000 1.136 205 R CB -0.374 29.793 30.300 -0.221 0.000 0.872 205 R HN 0.089 nan 8.270 nan 0.000 0.421 206 P HA -0.106 nan 4.420 nan 0.000 0.253 206 P C -0.271 176.882 177.300 -0.245 0.000 1.159 206 P CA 0.453 63.450 63.100 -0.171 0.000 0.779 206 P CB 0.546 32.177 31.700 -0.116 0.000 0.745 207 Q N 2.693 122.238 119.800 -0.425 0.000 2.226 207 Q HA -0.085 4.250 4.340 -0.008 0.000 0.204 207 Q C 0.326 175.782 176.000 -0.907 0.000 0.975 207 Q CA 1.621 56.944 55.803 -0.800 0.000 0.866 207 Q CB -0.273 27.722 28.738 -1.238 0.000 0.915 207 Q HN 0.491 nan 8.270 nan 0.000 0.440 208 F N 0.298 120.239 119.950 -0.015 0.000 2.879 208 F HA 0.411 4.933 4.527 -0.008 0.000 0.354 208 F C -0.496 175.317 175.800 0.021 0.000 1.291 208 F CA -0.782 57.221 58.000 0.004 0.000 1.238 208 F CB 0.308 39.312 39.000 0.007 0.000 1.005 208 F HN -0.162 nan 8.300 nan 0.000 0.508 209 R N -1.326 119.246 120.500 0.120 0.000 3.513 209 R HA 0.202 4.538 4.340 -0.008 0.000 0.243 209 R C -1.639 174.733 176.300 0.120 0.000 1.033 209 R CA -0.976 55.206 56.100 0.136 0.000 1.083 209 R CB 0.240 30.628 30.300 0.147 0.000 1.246 209 R HN 0.083 nan 8.270 nan 0.000 0.526 210 Y N 2.393 122.712 120.300 0.032 0.000 2.788 210 Y HA 0.174 4.720 4.550 -0.007 0.000 0.341 210 Y C -0.597 175.327 175.900 0.040 0.000 1.258 210 Y CA 1.581 59.695 58.100 0.024 0.000 1.503 210 Y CB 0.881 39.356 38.460 0.025 0.000 1.325 210 Y HN 0.759 nan 8.280 nan 0.000 0.614 211 T N 6.117 120.317 114.554 -0.591 0.000 2.906 211 T HA 0.359 4.705 4.350 -0.008 0.000 0.295 211 T C -0.513 173.972 174.700 -0.359 0.000 1.075 211 T CA -0.877 61.061 62.100 -0.269 0.000 1.005 211 T CB 1.330 70.088 68.868 -0.185 0.000 1.136 211 T HN 0.469 nan 8.240 nan 0.000 0.498 212 L N 1.176 122.417 121.223 0.029 0.000 3.001 212 L HA 0.415 4.751 4.340 -0.008 0.000 0.234 212 L C -0.122 176.774 176.870 0.044 0.000 1.321 212 L CA 0.243 55.119 54.840 0.061 0.000 1.138 212 L CB -1.112 41.004 42.059 0.094 0.000 1.503 212 L HN 0.479 nan 8.230 nan 0.000 0.487 213 I N -0.395 120.158 120.570 -0.028 0.000 2.352 213 I HA 0.097 4.262 4.170 -0.008 0.000 0.290 213 I C 0.894 177.002 176.117 -0.015 0.000 1.036 213 I CA -0.067 61.228 61.300 -0.009 0.000 1.336 213 I CB 1.220 39.187 38.000 -0.056 0.000 1.407 213 I HN 0.144 nan 8.210 nan 0.000 0.497 214 S N 7.243 122.954 115.700 0.017 0.000 3.072 214 S HA 0.151 4.617 4.470 -0.008 0.000 0.306 214 S C 1.583 176.201 174.600 0.030 0.000 1.207 214 S CA -0.618 57.595 58.200 0.021 0.000 1.008 214 S CB -0.125 63.093 63.200 0.031 0.000 1.390 214 S HN 0.515 nan 8.310 nan 0.000 0.523 215 I N 4.521 125.105 120.570 0.023 0.000 2.143 215 I HA -0.242 3.923 4.170 -0.008 0.000 0.245 215 I C 2.405 178.579 176.117 0.095 0.000 1.068 215 I CA 1.798 63.136 61.300 0.063 0.000 1.326 215 I CB -0.793 37.231 38.000 0.039 0.000 1.028 215 I HN 0.713 nan 8.210 nan 0.000 0.412 216 K N 0.694 121.100 120.400 0.009 0.000 2.097 216 K HA -0.166 4.150 4.320 -0.008 0.000 0.206 216 K C 2.141 178.777 176.600 0.060 0.000 1.049 216 K CA 1.469 57.739 56.287 -0.028 0.000 0.933 216 K CB -0.008 32.453 32.500 -0.065 0.000 0.717 216 K HN 0.278 nan 8.250 nan 0.000 0.442 217 A N 0.943 123.798 122.820 0.059 0.000 1.877 217 A HA -0.116 4.199 4.320 -0.008 0.000 0.216 217 A C 2.227 179.864 177.584 0.088 0.000 1.186 217 A CA 1.709 53.783 52.037 0.061 0.000 0.620 217 A CB -0.772 18.256 19.000 0.047 0.000 0.822 217 A HN 0.162 nan 8.150 nan 0.000 0.443 218 V N -0.909 119.071 119.914 0.110 0.000 2.220 218 V HA -0.336 3.780 4.120 -0.008 0.000 0.250 218 V C 2.253 178.431 176.094 0.140 0.000 1.056 218 V CA 2.514 64.877 62.300 0.105 0.000 1.016 218 V CB -1.197 30.691 31.823 0.109 0.000 0.639 218 V HN 0.537 nan 8.190 nan 0.000 0.446 219 F N -0.112 119.831 119.950 -0.012 0.000 2.048 219 F HA -0.295 4.228 4.527 -0.007 0.000 0.296 219 F C 2.282 178.076 175.800 -0.011 0.000 1.109 219 F CA 2.277 60.271 58.000 -0.010 0.000 1.214 219 F CB -0.846 38.149 39.000 -0.009 0.000 0.963 219 F HN 0.059 nan 8.300 nan 0.000 0.491 220 I N -0.521 120.170 120.570 0.202 0.000 2.185 220 I HA -0.347 3.818 4.170 -0.008 0.000 0.246 220 I C 2.654 178.795 176.117 0.041 0.000 1.088 220 I CA 1.631 62.986 61.300 0.092 0.000 1.347 220 I CB -1.300 36.730 38.000 0.049 0.000 1.041 220 I HN 0.284 nan 8.210 nan 0.000 0.415 221 G N 0.406 109.225 108.800 0.032 0.000 2.404 221 G HA2 -0.138 3.817 3.960 -0.008 0.000 0.214 221 G HA3 -0.138 3.817 3.960 -0.008 0.000 0.214 221 G C 1.691 176.586 174.900 -0.008 0.000 1.189 221 G CA 0.750 45.850 45.100 0.001 0.000 0.789 221 G HN 0.228 nan 8.290 nan 0.000 0.533 222 V N 1.410 121.308 119.914 -0.026 0.000 2.278 222 V HA -0.248 3.867 4.120 -0.008 0.000 0.251 222 V C 2.779 178.851 176.094 -0.037 0.000 1.062 222 V CA 1.796 64.059 62.300 -0.061 0.000 1.038 222 V CB -0.494 31.236 31.823 -0.154 0.000 0.646 222 V HN 0.390 nan 8.190 nan 0.000 0.447 223 I N -1.117 119.442 120.570 -0.018 0.000 2.090 223 I HA -0.273 3.893 4.170 -0.008 0.000 0.236 223 I C 2.648 178.780 176.117 0.024 0.000 1.064 223 I CA 1.535 62.842 61.300 0.011 0.000 1.324 223 I CB -0.458 37.565 38.000 0.039 0.000 1.044 223 I HN 0.241 nan 8.210 nan 0.000 0.399 224 M N 0.865 120.476 119.600 0.017 0.000 2.128 224 M HA -0.262 4.214 4.480 -0.008 0.000 0.253 224 M C 2.636 178.958 176.300 0.037 0.000 1.079 224 M CA 2.494 57.804 55.300 0.016 0.000 1.082 224 M CB -1.712 30.881 32.600 -0.012 0.000 1.335 224 M HN 0.496 nan 8.290 nan 0.000 0.401 225 S N -1.301 114.418 115.700 0.032 0.000 2.345 225 S HA -0.097 4.369 4.470 -0.008 0.000 0.219 225 S C 1.950 176.611 174.600 0.102 0.000 1.031 225 S CA 1.745 59.978 58.200 0.055 0.000 0.984 225 S CB -1.016 62.199 63.200 0.026 0.000 0.874 225 S HN 0.445 nan 8.310 nan 0.000 0.451 226 T N 2.297 116.895 114.554 0.074 0.000 2.822 226 T HA -0.013 4.333 4.350 -0.008 0.000 0.270 226 T C 1.555 176.359 174.700 0.173 0.000 1.064 226 T CA 1.476 63.643 62.100 0.111 0.000 1.131 226 T CB -0.498 68.400 68.868 0.049 0.000 0.858 226 T HN 0.281 nan 8.240 nan 0.000 0.483 227 I N 0.829 121.472 120.570 0.122 0.000 2.162 227 I HA -0.072 4.093 4.170 -0.008 0.000 0.238 227 I C 2.322 178.524 176.117 0.142 0.000 1.076 227 I CA 1.067 62.433 61.300 0.109 0.000 1.353 227 I CB -0.564 37.475 38.000 0.066 0.000 1.063 227 I HN 0.151 nan 8.210 nan 0.000 0.408 228 M N -0.573 119.124 119.600 0.162 0.000 2.103 228 M HA -0.323 4.152 4.480 -0.008 0.000 0.255 228 M C 2.450 178.971 176.300 0.368 0.000 1.074 228 M CA 2.028 57.479 55.300 0.252 0.000 1.090 228 M CB -1.756 30.978 32.600 0.224 0.000 1.325 228 M HN 0.333 nan 8.290 nan 0.000 0.403 229 Y N 1.169 121.579 120.300 0.182 0.000 2.070 229 Y HA -0.244 4.301 4.550 -0.008 0.000 0.280 229 Y C 2.556 178.555 175.900 0.165 0.000 1.148 229 Y CA 1.934 60.138 58.100 0.173 0.000 1.125 229 Y CB -0.375 38.146 38.460 0.101 0.000 0.975 229 Y HN 0.100 nan 8.280 nan 0.000 0.492 230 R N 0.344 120.891 120.500 0.079 0.000 2.103 230 R HA -0.199 4.136 4.340 -0.008 0.000 0.242 230 R C 2.162 178.387 176.300 -0.125 0.000 1.142 230 R CA 1.771 57.847 56.100 -0.041 0.000 0.960 230 R CB -1.016 29.337 30.300 0.088 0.000 0.858 230 R HN 0.459 nan 8.270 nan 0.000 0.439 231 I N 0.032 120.536 120.570 -0.111 0.000 2.399 231 I HA -0.254 3.912 4.170 -0.008 0.000 0.254 231 I C 1.308 177.037 176.117 -0.646 0.000 1.146 231 I CA 1.558 62.644 61.300 -0.357 0.000 1.412 231 I CB -0.704 36.978 38.000 -0.530 0.000 1.076 231 I HN 0.021 nan 8.210 nan 0.000 0.432 232 F N -0.183 119.614 119.950 -0.256 0.000 2.683 232 F HA 0.303 4.826 4.527 -0.008 0.000 0.306 232 F C 0.757 176.285 175.800 -0.452 0.000 1.102 232 F CA -0.125 57.690 58.000 -0.308 0.000 1.244 232 F CB -0.012 38.875 39.000 -0.188 0.000 1.029 232 F HN -0.008 nan 8.300 nan 0.000 0.545 233 N N 0.228 118.650 118.700 -0.464 0.000 2.604 233 N HA 0.033 4.768 4.740 -0.008 0.000 0.284 233 N C -0.690 174.620 175.510 -0.334 0.000 1.716 233 N CA -0.065 52.681 53.050 -0.506 0.000 0.859 233 N CB 0.324 38.230 38.487 -0.969 0.000 1.403 233 N HN 0.300 nan 8.380 nan 0.000 0.501 234 H N -0.729 118.261 119.070 -0.132 0.000 2.500 234 H HA 0.435 4.987 4.556 -0.008 0.000 0.351 234 H C 0.551 175.853 175.328 -0.044 0.000 1.281 234 H CA -0.163 55.841 56.048 -0.074 0.000 1.368 234 H CB 0.472 30.196 29.762 -0.064 0.000 1.616 234 H HN 0.008 nan 8.280 nan 0.000 0.591 235 E N -1.949 118.361 120.200 0.184 0.000 3.370 235 E HA -0.158 4.187 4.350 -0.008 0.000 0.291 235 E C -1.067 175.570 176.600 0.062 0.000 0.916 235 E CA 0.975 57.435 56.400 0.100 0.000 0.981 235 E CB -1.081 28.687 29.700 0.114 0.000 1.498 235 E HN 0.356 nan 8.360 nan 0.000 0.452 236 V N -0.842 119.104 119.914 0.054 0.000 2.932 236 V HA 0.721 4.837 4.120 -0.008 0.000 0.307 236 V C -0.016 176.102 176.094 0.040 0.000 1.147 236 V CA -0.247 62.073 62.300 0.032 0.000 0.951 236 V CB 1.943 33.778 31.823 0.019 0.000 1.031 236 V HN 0.209 nan 8.190 nan 0.000 0.426 237 A N 2.569 125.400 122.820 0.018 0.000 2.326 237 A HA 0.884 5.199 4.320 -0.008 0.000 0.303 237 A C 0.441 177.998 177.584 -0.045 0.000 1.164 237 A CA -0.437 51.601 52.037 0.003 0.000 0.929 237 A CB 1.040 20.031 19.000 -0.015 0.000 1.363 237 A HN 0.807 nan 8.150 nan 0.000 0.498 238 L N -1.132 120.016 121.223 -0.125 0.000 2.362 238 L HA 0.364 4.700 4.340 -0.008 0.000 0.204 238 L C -0.385 176.279 176.870 -0.343 0.000 1.060 238 L CA 0.805 55.463 54.840 -0.303 0.000 0.827 238 L CB 0.160 41.906 42.059 -0.522 0.000 1.027 238 L HN 0.508 nan 8.230 nan 0.000 0.474 239 I N -0.283 120.140 120.570 -0.244 0.000 2.478 239 I HA 0.258 4.424 4.170 -0.008 0.000 0.287 239 I C -1.323 174.747 176.117 -0.078 0.000 1.042 239 I CA -0.487 60.715 61.300 -0.164 0.000 1.067 239 I CB 2.245 40.149 38.000 -0.160 0.000 1.233 239 I HN -0.118 nan 8.210 nan 0.000 0.431 240 D N 5.862 126.233 120.400 -0.047 0.000 2.425 240 D HA 0.432 5.067 4.640 -0.008 0.000 0.240 240 D C -0.036 176.257 176.300 -0.012 0.000 1.080 240 D CA -0.208 53.778 54.000 -0.024 0.000 0.836 240 D CB 2.507 43.296 40.800 -0.018 0.000 1.125 240 D HN 0.280 nan 8.370 nan 0.000 0.525 241 V N 2.055 121.965 119.914 -0.006 0.000 3.382 241 V HA 0.322 4.437 4.120 -0.008 0.000 0.296 241 V C 1.066 177.161 176.094 0.002 0.000 1.529 241 V CA 0.153 62.454 62.300 0.002 0.000 1.048 241 V CB 0.063 31.891 31.823 0.009 0.000 0.878 241 V HN 0.827 nan 8.190 nan 0.000 0.442 242 G N 1.740 110.540 108.800 0.000 0.000 2.953 242 G HA2 -0.292 3.663 3.960 -0.008 0.000 0.421 242 G HA3 -0.292 3.663 3.960 -0.008 0.000 0.421 242 G C -0.282 174.620 174.900 0.002 0.000 1.531 242 G CA -0.094 45.007 45.100 0.002 0.000 0.971 242 G HN 0.415 nan 8.290 nan 0.000 0.558 243 K N 0.551 120.952 120.400 0.002 0.000 2.315 243 K HA 0.326 4.642 4.320 -0.008 0.000 0.281 243 K C 1.287 177.887 176.600 0.000 0.000 1.086 243 K CA 0.134 56.421 56.287 0.001 0.000 1.042 243 K CB -0.497 32.004 32.500 0.002 0.000 0.949 243 K HN 0.456 nan 8.250 nan 0.000 0.450 244 L N 1.691 122.912 121.223 -0.003 0.000 2.464 244 L HA 0.148 4.484 4.340 -0.008 0.000 0.224 244 L C 1.200 178.067 176.870 -0.005 0.000 1.219 244 L CA -0.422 54.419 54.840 0.002 0.000 0.831 244 L CB 0.125 42.184 42.059 0.000 0.000 1.284 244 L HN 0.696 nan 8.230 nan 0.000 0.522 245 S N -1.373 114.329 115.700 0.002 0.000 2.633 245 S HA 0.175 4.641 4.470 -0.008 0.000 0.257 245 S C -0.516 174.065 174.600 -0.032 0.000 1.265 245 S CA -0.767 57.432 58.200 -0.002 0.000 0.980 245 S CB 0.764 63.978 63.200 0.023 0.000 1.017 245 S HN 0.490 nan 8.310 nan 0.000 0.577 246 D N -0.022 120.356 120.400 -0.037 0.000 2.440 246 D HA 0.694 5.330 4.640 -0.008 0.000 0.258 246 D C -0.765 175.485 176.300 -0.083 0.000 1.092 246 D CA -0.245 53.712 54.000 -0.073 0.000 1.016 246 D CB 1.164 41.927 40.800 -0.062 0.000 1.141 246 D HN 0.824 nan 8.370 nan 0.000 0.552 247 A N 1.182 123.924 122.820 -0.131 0.000 2.363 247 A HA 0.537 4.852 4.320 -0.008 0.000 0.296 247 A C -2.479 175.029 177.584 -0.126 0.000 1.237 247 A CA -1.225 50.729 52.037 -0.138 0.000 0.773 247 A CB 0.522 19.359 19.000 -0.272 0.000 1.153 247 A HN 0.357 nan 8.150 nan 0.000 0.473 248 P HA 0.149 nan 4.420 nan 0.000 0.272 248 P C 0.982 178.229 177.300 -0.088 0.000 1.223 248 P CA -0.356 62.693 63.100 -0.085 0.000 0.784 248 P CB 0.838 32.492 31.700 -0.077 0.000 0.923 249 L N 1.258 122.441 121.223 -0.067 0.000 2.081 249 L HA -0.231 4.104 4.340 -0.008 0.000 0.212 249 L C 2.219 179.080 176.870 -0.015 0.000 1.080 249 L CA 1.991 56.806 54.840 -0.040 0.000 0.754 249 L CB -1.074 40.968 42.059 -0.027 0.000 0.893 249 L HN 0.518 nan 8.230 nan 0.000 0.433 250 N N -0.208 118.457 118.700 -0.058 0.000 2.585 250 N HA -0.161 4.575 4.740 -0.008 0.000 0.188 250 N C 1.338 176.777 175.510 -0.120 0.000 1.102 250 N CA 1.600 54.613 53.050 -0.063 0.000 0.920 250 N CB -0.674 37.746 38.487 -0.111 0.000 0.963 250 N HN 0.457 nan 8.380 nan 0.000 0.447 251 T N -3.353 111.094 114.554 -0.178 0.000 3.085 251 T HA 0.302 4.647 4.350 -0.008 0.000 0.264 251 T C 1.581 176.324 174.700 0.072 0.000 1.019 251 T CA -0.445 61.529 62.100 -0.211 0.000 0.910 251 T CB -0.319 68.406 68.868 -0.238 0.000 1.059 251 T HN 0.046 nan 8.240 nan 0.000 0.542 252 L N 0.665 121.981 121.223 0.155 0.000 2.093 252 L HA 0.067 4.402 4.340 -0.008 0.000 0.208 252 L C 2.885 179.931 176.870 0.294 0.000 1.085 252 L CA 1.456 56.421 54.840 0.207 0.000 0.755 252 L CB -0.446 41.667 42.059 0.091 0.000 0.904 252 L HN 0.600 nan 8.230 nan 0.000 0.435 253 W N 0.215 121.581 121.300 0.110 0.000 2.342 253 W HA -0.198 4.458 4.660 -0.007 0.000 0.297 253 W C 1.704 178.304 176.519 0.134 0.000 1.213 253 W CA 0.593 58.000 57.345 0.104 0.000 1.251 253 W CB -1.267 28.235 29.460 0.070 0.000 1.136 253 W HN 0.122 nan 8.180 nan 0.000 0.526 254 L N 0.126 120.859 121.223 -0.816 0.000 2.187 254 L HA -0.257 4.079 4.340 -0.008 0.000 0.213 254 L C 2.393 179.117 176.870 -0.242 0.000 1.100 254 L CA 1.674 56.075 54.840 -0.733 0.000 0.765 254 L CB -0.913 40.751 42.059 -0.660 0.000 0.904 254 L HN -0.065 nan 8.230 nan 0.000 0.437 255 Y N -1.491 118.802 120.300 -0.011 0.000 2.544 255 Y HA -0.125 4.421 4.550 -0.007 0.000 0.286 255 Y C 1.970 177.843 175.900 -0.045 0.000 1.141 255 Y CA 0.206 58.304 58.100 -0.004 0.000 1.299 255 Y CB 0.002 38.416 38.460 -0.076 0.000 1.030 255 Y HN 0.087 nan 8.280 nan 0.000 0.543 256 L N -0.476 120.808 121.223 0.102 0.000 2.084 256 L HA -0.069 4.267 4.340 -0.008 0.000 0.202 256 L C 2.020 178.901 176.870 0.018 0.000 1.074 256 L CA 1.307 56.196 54.840 0.082 0.000 0.757 256 L CB -0.699 41.447 42.059 0.145 0.000 0.918 256 L HN 0.040 nan 8.230 nan 0.000 0.444 257 I N -0.081 120.493 120.570 0.006 0.000 2.145 257 I HA -0.306 3.859 4.170 -0.008 0.000 0.244 257 I C 2.564 178.517 176.117 -0.273 0.000 1.075 257 I CA 1.672 62.943 61.300 -0.047 0.000 1.332 257 I CB -1.368 36.638 38.000 0.008 0.000 1.033 257 I HN 0.359 nan 8.210 nan 0.000 0.410 258 L N 1.206 122.099 121.223 -0.550 0.000 2.141 258 L HA -0.004 4.332 4.340 -0.008 0.000 0.209 258 L C 2.326 179.100 176.870 -0.160 0.000 1.094 258 L CA 1.980 56.386 54.840 -0.724 0.000 0.763 258 L CB -0.964 40.612 42.059 -0.804 0.000 0.908 258 L HN 0.171 nan 8.230 nan 0.000 0.437 259 G N 0.019 108.769 108.800 -0.083 0.000 2.404 259 G HA2 -0.213 3.742 3.960 -0.008 0.000 0.215 259 G HA3 -0.213 3.742 3.960 -0.008 0.000 0.215 259 G C 1.569 176.493 174.900 0.040 0.000 1.174 259 G CA 1.121 46.219 45.100 -0.002 0.000 0.780 259 G HN 0.468 nan 8.290 nan 0.000 0.537 260 I N 0.671 121.249 120.570 0.013 0.000 2.127 260 I HA -0.195 3.971 4.170 -0.008 0.000 0.241 260 I C 2.703 178.851 176.117 0.051 0.000 1.075 260 I CA 0.925 62.246 61.300 0.035 0.000 1.334 260 I CB -0.327 37.697 38.000 0.042 0.000 1.040 260 I HN 0.137 nan 8.210 nan 0.000 0.405 261 I N 0.259 120.830 120.570 0.001 0.000 2.091 261 I HA -0.375 3.790 4.170 -0.008 0.000 0.240 261 I C 2.508 178.641 176.117 0.027 0.000 1.046 261 I CA 1.968 63.249 61.300 -0.031 0.000 1.306 261 I CB -0.512 37.384 38.000 -0.173 0.000 1.018 261 I HN 0.090 nan 8.210 nan 0.000 0.404 262 F N 0.901 120.826 119.950 -0.041 0.000 2.202 262 F HA -0.169 4.353 4.527 -0.008 0.000 0.301 262 F C 2.457 178.318 175.800 0.101 0.000 1.082 262 F CA 1.582 59.609 58.000 0.045 0.000 1.313 262 F CB -0.959 38.037 39.000 -0.006 0.000 1.024 262 F HN 0.063 nan 8.300 nan 0.000 0.495 263 G N 0.688 109.622 108.800 0.224 0.000 2.421 263 G HA2 -0.245 3.711 3.960 -0.008 0.000 0.216 263 G HA3 -0.245 3.711 3.960 -0.008 0.000 0.216 263 G C 1.695 176.660 174.900 0.109 0.000 1.171 263 G CA 1.089 46.267 45.100 0.130 0.000 0.775 263 G HN 0.531 nan 8.290 nan 0.000 0.543 264 I N -2.738 117.899 120.570 0.112 0.000 2.439 264 I HA 0.140 4.306 4.170 -0.008 0.000 0.251 264 I C 2.449 178.615 176.117 0.082 0.000 1.139 264 I CA 1.145 62.500 61.300 0.092 0.000 1.438 264 I CB -0.283 37.775 38.000 0.096 0.000 1.085 264 I HN 0.090 nan 8.210 nan 0.000 0.427 265 F N 2.553 122.489 119.950 -0.024 0.000 2.416 265 F HA 0.287 4.811 4.527 -0.006 0.000 0.296 265 F C 2.269 178.051 175.800 -0.030 0.000 1.099 265 F CA 0.939 58.902 58.000 -0.061 0.000 1.427 265 F CB -0.399 38.544 39.000 -0.095 0.000 1.079 265 F HN 0.054 nan 8.300 nan 0.000 0.536 266 G N 1.911 110.740 108.800 0.048 0.000 2.476 266 G HA2 -0.255 3.700 3.960 -0.008 0.000 0.218 266 G HA3 -0.255 3.700 3.960 -0.008 0.000 0.218 266 G C -0.578 174.272 174.900 -0.082 0.000 1.164 266 G CA 1.051 46.173 45.100 0.037 0.000 0.768 266 G HN 0.359 nan 8.290 nan 0.000 0.560 267 P HA -0.005 nan 4.420 nan 0.000 0.216 267 P C 2.095 179.238 177.300 -0.261 0.000 1.153 267 P CA 0.779 63.813 63.100 -0.110 0.000 0.844 267 P CB -0.046 31.621 31.700 -0.055 0.000 0.787 268 I N -0.977 119.346 120.570 -0.412 0.000 2.151 268 I HA -0.265 3.900 4.170 -0.008 0.000 0.243 268 I C 2.553 178.020 176.117 -1.084 0.000 1.080 268 I CA 1.621 62.507 61.300 -0.689 0.000 1.339 268 I CB -0.822 36.728 38.000 -0.751 0.000 1.039 268 I HN -0.167 nan 8.210 nan 0.000 0.409 269 F N 1.775 120.996 119.950 -1.215 0.000 2.269 269 F HA -0.197 4.325 4.527 -0.007 0.000 0.301 269 F C 2.040 177.608 175.800 -0.388 0.000 1.082 269 F CA 1.683 59.127 58.000 -0.927 0.000 1.360 269 F CB -0.584 37.953 39.000 -0.772 0.000 1.041 269 F HN 0.096 nan 8.300 nan 0.000 0.512 270 N N -0.344 118.183 118.700 -0.287 0.000 2.270 270 N HA -0.137 4.598 4.740 -0.008 0.000 0.181 270 N C 1.662 177.076 175.510 -0.160 0.000 1.016 270 N CA 0.698 53.662 53.050 -0.143 0.000 0.870 270 N CB 0.047 38.515 38.487 -0.032 0.000 0.979 270 N HN 0.290 nan 8.380 nan 0.000 0.431 271 K N 0.483 120.753 120.400 -0.217 0.000 1.965 271 K HA -0.138 4.177 4.320 -0.008 0.000 0.214 271 K C 1.732 178.352 176.600 0.033 0.000 1.046 271 K CA 1.344 57.584 56.287 -0.078 0.000 0.944 271 K CB -0.220 32.243 32.500 -0.062 0.000 0.726 271 K HN 0.202 nan 8.250 nan 0.000 0.441 272 W N 0.658 121.848 121.300 -0.183 0.000 2.290 272 W HA -0.209 4.446 4.660 -0.009 0.000 0.318 272 W C 2.206 178.584 176.519 -0.234 0.000 1.248 272 W CA 0.556 57.779 57.345 -0.203 0.000 1.263 272 W CB -1.478 27.840 29.460 -0.238 0.000 1.147 272 W HN 0.024 nan 8.180 nan 0.000 0.494 273 V N 0.123 119.945 119.914 -0.154 0.000 2.490 273 V HA -0.232 3.883 4.120 -0.008 0.000 0.250 273 V C 1.989 178.074 176.094 -0.015 0.000 1.061 273 V CA 1.646 63.873 62.300 -0.121 0.000 1.064 273 V CB -0.452 31.262 31.823 -0.181 0.000 0.670 273 V HN 0.016 nan 8.190 nan 0.000 0.461 274 L N 0.977 122.192 121.223 -0.014 0.000 2.071 274 L HA 0.313 4.649 4.340 -0.008 0.000 0.201 274 L C 2.638 179.508 176.870 0.000 0.000 1.076 274 L CA 2.195 57.030 54.840 -0.008 0.000 0.755 274 L CB -1.768 40.290 42.059 -0.003 0.000 0.915 274 L HN 0.346 nan 8.230 nan 0.000 0.445 275 G N -1.186 107.629 108.800 0.024 0.000 2.564 275 G HA2 -0.286 3.670 3.960 -0.008 0.000 0.216 275 G HA3 -0.286 3.670 3.960 -0.008 0.000 0.216 275 G C 1.437 176.347 174.900 0.018 0.000 1.124 275 G CA 0.861 45.978 45.100 0.028 0.000 0.764 275 G HN 0.291 nan 8.290 nan 0.000 0.550 276 M N 0.404 120.016 119.600 0.020 0.000 2.465 276 M HA 0.148 4.623 4.480 -0.008 0.000 0.249 276 M C 2.341 178.655 176.300 0.022 0.000 1.130 276 M CA 0.633 55.942 55.300 0.015 0.000 1.067 276 M CB 0.186 32.800 32.600 0.023 0.000 1.394 276 M HN 0.405 nan 8.290 nan 0.000 0.483 277 Q N -2.006 117.800 119.800 0.010 0.000 2.356 277 Q HA 0.054 4.389 4.340 -0.008 0.000 0.205 277 Q C 0.285 176.299 176.000 0.023 0.000 0.901 277 Q CA 0.446 56.262 55.803 0.022 0.000 0.938 277 Q CB 0.137 28.857 28.738 -0.029 0.000 1.081 277 Q HN 0.315 nan 8.270 nan 0.000 0.517 278 D N 1.764 122.168 120.400 0.007 0.000 2.255 278 D HA -0.043 4.592 4.640 -0.008 0.000 0.224 278 D C 1.946 178.254 176.300 0.014 0.000 0.997 278 D CA 0.468 54.471 54.000 0.004 0.000 0.906 278 D CB -0.257 40.538 40.800 -0.008 0.000 1.047 278 D HN 0.148 nan 8.370 nan 0.000 0.458 279 L N 0.757 121.977 121.223 -0.005 0.000 2.081 279 L HA -0.159 4.177 4.340 -0.008 0.000 0.212 279 L C 2.226 179.079 176.870 -0.029 0.000 1.080 279 L CA 0.983 55.808 54.840 -0.024 0.000 0.754 279 L CB -0.070 41.974 42.059 -0.026 0.000 0.893 279 L HN 0.021 nan 8.230 nan 0.000 0.433 280 L N -1.361 119.870 121.223 0.013 0.000 2.478 280 L HA -0.182 4.153 4.340 -0.008 0.000 0.223 280 L C 2.204 179.091 176.870 0.029 0.000 1.140 280 L CA 0.345 55.214 54.840 0.048 0.000 0.842 280 L CB -0.346 41.780 42.059 0.112 0.000 0.953 280 L HN 0.369 nan 8.230 nan 0.000 0.452 281 H N -0.112 118.836 119.070 -0.204 0.000 2.436 281 H HA -0.041 4.510 4.556 -0.008 0.000 0.294 281 H C 2.205 177.037 175.328 -0.826 0.000 1.048 281 H CA 1.153 56.842 56.048 -0.599 0.000 1.353 281 H CB 0.264 29.811 29.762 -0.359 0.000 1.414 281 H HN 0.027 nan 8.280 nan 0.000 0.536 282 R N -0.159 120.048 120.500 -0.488 0.000 2.096 282 R HA -0.103 4.232 4.340 -0.008 0.000 0.229 282 R C 2.332 178.347 176.300 -0.475 0.000 1.134 282 R CA 1.627 57.463 56.100 -0.440 0.000 0.917 282 R CB -1.020 29.147 30.300 -0.221 0.000 0.832 282 R HN 0.146 nan 8.270 nan 0.000 0.430 283 V N 2.141 121.879 119.914 -0.294 0.000 2.768 283 V HA -0.307 3.809 4.120 -0.008 0.000 0.272 283 V C 1.575 177.579 176.094 -0.151 0.000 1.175 283 V CA 2.364 64.565 62.300 -0.165 0.000 1.161 283 V CB -1.214 30.579 31.823 -0.050 0.000 0.744 283 V HN 0.639 nan 8.190 nan 0.000 0.501 284 H N -3.411 115.444 119.070 -0.357 0.000 3.899 284 H HA 0.276 4.828 4.556 -0.008 0.000 0.260 284 H C 1.750 176.845 175.328 -0.390 0.000 1.122 284 H CA 0.880 56.722 56.048 -0.344 0.000 1.165 284 H CB 0.368 29.867 29.762 -0.438 0.000 1.503 284 H HN 0.351 nan 8.280 nan 0.000 0.671 285 G N 1.238 109.479 108.800 -0.933 0.000 2.343 285 G HA2 -0.330 3.626 3.960 -0.008 0.000 0.264 285 G HA3 -0.330 3.626 3.960 -0.008 0.000 0.264 285 G C 1.334 175.856 174.900 -0.630 0.000 0.989 285 G CA 1.743 46.380 45.100 -0.773 0.000 0.627 285 G HN 1.539 nan 8.290 nan 0.000 0.549 286 G N -0.965 107.635 108.800 -0.334 0.000 2.273 286 G HA2 -0.069 3.887 3.960 -0.008 0.000 0.162 286 G HA3 -0.069 3.887 3.960 -0.008 0.000 0.162 286 G C -0.047 175.029 174.900 0.293 0.000 1.006 286 G CA 0.605 45.787 45.100 0.136 0.000 0.704 286 G HN 1.617 nan 8.290 nan 0.000 0.487 287 N N 1.188 119.990 118.700 0.170 0.000 2.438 287 N HA 0.279 5.014 4.740 -0.008 0.000 0.267 287 N C 1.644 177.326 175.510 0.287 0.000 1.222 287 N CA 0.282 53.438 53.050 0.177 0.000 0.930 287 N CB 0.244 38.782 38.487 0.086 0.000 1.083 287 N HN 0.276 nan 8.380 nan 0.000 0.476 288 I N 2.496 123.226 120.570 0.267 0.000 2.290 288 I HA -0.396 3.770 4.170 -0.008 0.000 0.253 288 I C 1.086 177.337 176.117 0.222 0.000 1.112 288 I CA 1.559 63.021 61.300 0.270 0.000 1.377 288 I CB 0.066 38.193 38.000 0.210 0.000 1.060 288 I HN 0.644 nan 8.210 nan 0.000 0.428 289 T N -0.273 114.372 114.554 0.152 0.000 2.983 289 T HA -0.043 4.302 4.350 -0.008 0.000 0.250 289 T C 1.753 176.510 174.700 0.095 0.000 1.037 289 T CA 0.470 62.625 62.100 0.091 0.000 1.142 289 T CB 0.027 68.919 68.868 0.041 0.000 0.876 289 T HN 0.276 nan 8.240 nan 0.000 0.455 290 K N 0.075 120.540 120.400 0.109 0.000 2.281 290 K HA -0.107 4.209 4.320 -0.008 0.000 0.203 290 K C 1.870 178.542 176.600 0.119 0.000 1.046 290 K CA 0.858 57.198 56.287 0.087 0.000 0.938 290 K CB -0.002 32.539 32.500 0.068 0.000 0.737 290 K HN 0.351 nan 8.250 nan 0.000 0.458 291 W N 0.783 122.051 121.300 -0.052 0.000 2.519 291 W HA -0.058 4.597 4.660 -0.008 0.000 0.313 291 W C 1.942 178.287 176.519 -0.291 0.000 1.156 291 W CA 0.183 57.375 57.345 -0.256 0.000 1.394 291 W CB -0.837 28.470 29.460 -0.255 0.000 1.154 291 W HN -0.297 nan 8.180 nan 0.000 0.498 292 V N 1.505 121.475 119.914 0.093 0.000 2.317 292 V HA -0.355 3.761 4.120 -0.008 0.000 0.251 292 V C 2.463 178.490 176.094 -0.111 0.000 1.065 292 V CA 2.038 64.316 62.300 -0.037 0.000 1.049 292 V CB -0.989 30.857 31.823 0.038 0.000 0.651 292 V HN 0.115 nan 8.190 nan 0.000 0.450 293 L N -1.425 119.771 121.223 -0.045 0.000 2.005 293 L HA -0.204 4.132 4.340 -0.008 0.000 0.207 293 L C 2.433 179.258 176.870 -0.076 0.000 1.072 293 L CA 2.067 56.883 54.840 -0.039 0.000 0.744 293 L CB -0.509 41.548 42.059 -0.003 0.000 0.895 293 L HN 0.341 nan 8.230 nan 0.000 0.433 294 M N -0.008 119.545 119.600 -0.079 0.000 2.629 294 M HA -0.109 4.367 4.480 -0.008 0.000 0.257 294 M C 1.697 177.856 176.300 -0.235 0.000 1.071 294 M CA 1.298 56.545 55.300 -0.088 0.000 1.077 294 M CB -0.284 32.294 32.600 -0.036 0.000 1.423 294 M HN 0.283 nan 8.290 nan 0.000 0.508 295 G N -0.460 108.060 108.800 -0.466 0.000 2.456 295 G HA2 -0.080 3.875 3.960 -0.008 0.000 0.213 295 G HA3 -0.080 3.875 3.960 -0.008 0.000 0.213 295 G C 1.299 176.036 174.900 -0.272 0.000 1.215 295 G CA 0.547 45.081 45.100 -0.942 0.000 0.805 295 G HN 0.549 nan 8.290 nan 0.000 0.537 296 G N 0.859 109.576 108.800 -0.137 0.000 2.535 296 G HA2 0.125 4.080 3.960 -0.008 0.000 0.218 296 G HA3 0.125 4.080 3.960 -0.008 0.000 0.218 296 G C 1.785 176.625 174.900 -0.100 0.000 1.122 296 G CA 1.505 46.573 45.100 -0.054 0.000 0.769 296 G HN 0.647 nan 8.290 nan 0.000 0.549 297 A N 1.155 123.932 122.820 -0.071 0.000 1.832 297 A HA 0.103 4.419 4.320 -0.008 0.000 0.214 297 A C 2.324 179.872 177.584 -0.060 0.000 1.204 297 A CA 1.252 53.279 52.037 -0.018 0.000 0.606 297 A CB -0.323 18.683 19.000 0.010 0.000 0.849 297 A HN 0.330 nan 8.150 nan 0.000 0.445 298 I N -0.180 120.372 120.570 -0.030 0.000 2.439 298 I HA -0.096 4.069 4.170 -0.008 0.000 0.251 298 I C 2.640 178.744 176.117 -0.022 0.000 1.139 298 I CA 0.862 62.168 61.300 0.009 0.000 1.438 298 I CB -0.960 37.090 38.000 0.084 0.000 1.085 298 I HN 0.380 nan 8.210 nan 0.000 0.427 299 G N 1.486 110.276 108.800 -0.016 0.000 2.511 299 G HA2 -0.226 3.729 3.960 -0.008 0.000 0.216 299 G HA3 -0.226 3.729 3.960 -0.008 0.000 0.216 299 G C 1.750 176.533 174.900 -0.194 0.000 1.218 299 G CA 0.987 46.072 45.100 -0.026 0.000 0.788 299 G HN 0.464 nan 8.290 nan 0.000 0.560 300 G N 0.729 109.264 108.800 -0.442 0.000 2.442 300 G HA2 -0.185 3.771 3.960 -0.008 0.000 0.219 300 G HA3 -0.185 3.771 3.960 -0.008 0.000 0.219 300 G C 1.787 176.241 174.900 -0.744 0.000 1.141 300 G CA 1.128 45.657 45.100 -0.951 0.000 0.763 300 G HN 0.487 nan 8.290 nan 0.000 0.554 301 L N 0.462 121.422 121.223 -0.438 0.000 2.189 301 L HA -0.084 4.252 4.340 -0.008 0.000 0.214 301 L C 2.623 179.472 176.870 -0.036 0.000 1.097 301 L CA 1.500 56.282 54.840 -0.097 0.000 0.764 301 L CB -0.703 41.357 42.059 0.002 0.000 0.900 301 L HN 0.270 nan 8.230 nan 0.000 0.436 302 C N -0.461 118.800 119.300 -0.066 0.000 2.543 302 C HA 0.076 4.532 4.460 -0.008 0.000 0.281 302 C C 2.783 177.773 174.990 0.001 0.000 1.276 302 C CA 0.496 59.507 59.018 -0.012 0.000 1.700 302 C CB -1.722 26.015 27.740 -0.005 0.000 2.093 302 C HN 0.706 nan 8.230 nan 0.000 0.488 303 G N 0.219 108.996 108.800 -0.039 0.000 2.581 303 G HA2 -0.268 3.687 3.960 -0.008 0.000 0.223 303 G HA3 -0.268 3.687 3.960 -0.008 0.000 0.223 303 G C 1.529 176.470 174.900 0.069 0.000 1.094 303 G CA 1.209 46.306 45.100 -0.005 0.000 0.736 303 G HN 0.522 nan 8.290 nan 0.000 0.588 304 L N -0.373 120.900 121.223 0.083 0.000 2.034 304 L HA 0.210 4.545 4.340 -0.008 0.000 0.203 304 L C 2.709 179.669 176.870 0.149 0.000 1.074 304 L CA 0.921 55.859 54.840 0.164 0.000 0.748 304 L CB -0.207 41.978 42.059 0.210 0.000 0.905 304 L HN 0.179 nan 8.230 nan 0.000 0.439 305 L N -0.133 121.156 121.223 0.111 0.000 2.187 305 L HA -0.097 4.239 4.340 -0.008 0.000 0.213 305 L C 1.861 178.802 176.870 0.118 0.000 1.100 305 L CA 0.968 55.869 54.840 0.102 0.000 0.765 305 L CB -1.133 40.975 42.059 0.081 0.000 0.904 305 L HN 0.395 nan 8.230 nan 0.000 0.437 306 G N -1.651 107.224 108.800 0.124 0.000 3.397 306 G HA2 0.047 4.002 3.960 -0.008 0.000 0.248 306 G HA3 0.047 4.002 3.960 -0.008 0.000 0.248 306 G C 0.329 175.379 174.900 0.249 0.000 1.284 306 G CA 0.013 45.195 45.100 0.137 0.000 1.570 306 G HN 0.361 nan 8.290 nan 0.000 0.587 307 F N -0.540 119.432 119.950 0.037 0.000 3.430 307 F HA -0.007 4.517 4.527 -0.005 0.000 0.379 307 F C 0.792 176.619 175.800 0.044 0.000 1.157 307 F CA 0.227 58.245 58.000 0.029 0.000 0.700 307 F CB -0.138 38.863 39.000 0.001 0.000 1.878 307 F HN 0.207 nan 8.300 nan 0.000 0.454 308 V N -0.788 119.088 119.914 -0.064 0.000 3.398 308 V HA 0.914 5.030 4.120 -0.008 0.000 0.298 308 V C 0.456 176.550 176.094 0.001 0.000 1.496 308 V CA 0.514 62.738 62.300 -0.127 0.000 1.044 308 V CB 0.271 32.060 31.823 -0.056 0.000 0.880 308 V HN 1.051 nan 8.190 nan 0.000 0.443 309 A N 0.045 122.905 122.820 0.067 0.000 1.778 309 A HA 0.426 4.741 4.320 -0.008 0.000 0.236 309 A C -1.996 175.673 177.584 0.143 0.000 2.310 309 A CA 0.162 52.279 52.037 0.134 0.000 2.051 309 A CB -0.798 18.336 19.000 0.223 0.000 0.492 309 A HN 0.227 nan 8.150 nan 0.000 0.946 310 P HA -0.212 nan 4.420 nan 0.000 0.219 310 P C 1.802 179.162 177.300 0.101 0.000 1.144 310 P CA 2.083 65.256 63.100 0.121 0.000 0.806 310 P CB 0.268 32.048 31.700 0.132 0.000 0.771 311 A N -0.663 122.225 122.820 0.112 0.000 2.019 311 A HA -0.168 4.148 4.320 -0.008 0.000 0.219 311 A C 2.099 179.682 177.584 -0.001 0.000 1.164 311 A CA 2.194 54.268 52.037 0.062 0.000 0.644 311 A CB -1.641 17.390 19.000 0.051 0.000 0.805 311 A HN 0.357 nan 8.150 nan 0.000 0.449 312 T N -4.077 110.478 114.554 0.002 0.000 3.065 312 T HA 0.255 4.600 4.350 -0.008 0.000 0.252 312 T C 1.007 175.697 174.700 -0.017 0.000 1.099 312 T CA 0.784 62.845 62.100 -0.066 0.000 1.063 312 T CB -0.038 68.769 68.868 -0.102 0.000 0.948 312 T HN 0.261 nan 8.240 nan 0.000 0.506 313 S N -0.591 115.121 115.700 0.020 0.000 2.721 313 S HA 0.677 5.143 4.470 -0.008 0.000 0.296 313 S C 0.861 175.473 174.600 0.021 0.000 1.093 313 S CA 0.211 58.427 58.200 0.026 0.000 0.959 313 S CB 0.614 63.841 63.200 0.045 0.000 1.301 313 S HN 1.140 nan 8.310 nan 0.000 0.550 314 G N 0.050 108.861 108.800 0.018 0.000 2.909 314 G HA2 -0.139 3.816 3.960 -0.008 0.000 0.385 314 G HA3 -0.139 3.816 3.960 -0.008 0.000 0.385 314 G C 0.990 175.877 174.900 -0.022 0.000 1.436 314 G CA 0.136 45.239 45.100 0.005 0.000 0.949 314 G HN 1.472 nan 8.290 nan 0.000 0.556 315 G N -0.869 107.900 108.800 -0.052 0.000 2.599 315 G HA2 0.283 4.238 3.960 -0.008 0.000 0.219 315 G HA3 0.283 4.238 3.960 -0.008 0.000 0.219 315 G C 2.031 176.841 174.900 -0.150 0.000 1.193 315 G CA 2.646 47.663 45.100 -0.139 0.000 0.778 315 G HN 2.772 nan 8.290 nan 0.000 0.589 316 G N -1.660 107.101 108.800 -0.065 0.000 2.192 316 G HA2 -0.215 3.740 3.960 -0.008 0.000 0.193 316 G HA3 -0.215 3.740 3.960 -0.008 0.000 0.193 316 G C 1.027 175.983 174.900 0.092 0.000 0.999 316 G CA 0.488 45.584 45.100 -0.007 0.000 0.659 316 G HN 0.401 nan 8.290 nan 0.000 0.503 317 F N 2.048 121.998 119.950 0.000 0.000 2.014 317 F HA -0.145 4.377 4.527 -0.009 0.000 0.295 317 F C 2.870 178.687 175.800 0.029 0.000 1.145 317 F CA 1.785 59.782 58.000 -0.005 0.000 1.178 317 F CB -0.363 38.616 39.000 -0.035 0.000 0.972 317 F HN 0.434 nan 8.300 nan 0.000 0.476 318 N N 1.539 120.398 118.700 0.266 0.000 2.182 318 N HA -0.266 4.470 4.740 -0.008 0.000 0.192 318 N C 1.487 177.099 175.510 0.169 0.000 1.007 318 N CA 1.618 54.766 53.050 0.163 0.000 0.873 318 N CB -0.789 37.778 38.487 0.133 0.000 0.998 318 N HN 0.409 nan 8.380 nan 0.000 0.436 319 L N -1.934 119.412 121.223 0.206 0.000 2.554 319 L HA 0.314 4.650 4.340 -0.008 0.000 0.226 319 L C 1.768 178.817 176.870 0.298 0.000 1.137 319 L CA 0.589 55.597 54.840 0.281 0.000 0.863 319 L CB -0.199 42.017 42.059 0.262 0.000 0.985 319 L HN 0.126 nan 8.230 nan 0.000 0.451 320 I N 0.555 121.256 120.570 0.219 0.000 2.163 320 I HA -0.088 4.078 4.170 -0.008 0.000 0.240 320 I C -0.074 176.133 176.117 0.150 0.000 1.081 320 I CA 1.087 62.501 61.300 0.190 0.000 1.353 320 I CB -1.574 36.527 38.000 0.168 0.000 1.054 320 I HN 0.243 nan 8.210 nan 0.000 0.407 321 P HA -0.182 nan 4.420 nan 0.000 0.216 321 P C 1.773 179.092 177.300 0.033 0.000 1.153 321 P CA 1.687 64.817 63.100 0.050 0.000 0.858 321 P CB -0.081 31.634 31.700 0.026 0.000 0.789 322 I N -1.567 119.019 120.570 0.027 0.000 2.546 322 I HA -0.157 4.009 4.170 -0.008 0.000 0.255 322 I C 2.202 178.223 176.117 -0.160 0.000 1.163 322 I CA 1.134 62.346 61.300 -0.146 0.000 1.457 322 I CB -0.658 37.168 38.000 -0.291 0.000 1.092 322 I HN -0.079 nan 8.210 nan 0.000 0.434 323 A N 0.723 123.674 122.820 0.217 0.000 1.935 323 A HA -0.085 4.231 4.320 -0.008 0.000 0.214 323 A C 2.372 180.071 177.584 0.191 0.000 1.178 323 A CA 1.669 53.944 52.037 0.395 0.000 0.640 323 A CB -0.805 18.445 19.000 0.416 0.000 0.825 323 A HN 0.341 nan 8.150 nan 0.000 0.447 324 T N 0.554 115.185 114.554 0.128 0.000 2.821 324 T HA 0.014 4.359 4.350 -0.008 0.000 0.267 324 T C 2.183 176.921 174.700 0.062 0.000 1.046 324 T CA 1.362 63.519 62.100 0.095 0.000 1.139 324 T CB -0.404 68.507 68.868 0.072 0.000 0.871 324 T HN 0.536 nan 8.240 nan 0.000 0.454 325 A N 0.874 123.707 122.820 0.022 0.000 1.933 325 A HA 0.347 4.662 4.320 -0.008 0.000 0.218 325 A C 2.153 179.736 177.584 -0.003 0.000 1.175 325 A CA 1.555 53.589 52.037 -0.006 0.000 0.628 325 A CB -1.011 17.959 19.000 -0.050 0.000 0.814 325 A HN 0.994 nan 8.150 nan 0.000 0.444 326 G N -1.222 107.578 108.800 -0.001 0.000 2.131 326 G HA2 -0.226 3.730 3.960 -0.008 0.000 0.201 326 G HA3 -0.226 3.730 3.960 -0.008 0.000 0.201 326 G C 0.241 175.123 174.900 -0.029 0.000 1.000 326 G CA 0.383 45.495 45.100 0.021 0.000 0.680 326 G HN 0.619 nan 8.290 nan 0.000 0.514 327 N N -0.645 117.962 118.700 -0.155 0.000 2.461 327 N HA 0.225 4.961 4.740 -0.008 0.000 0.188 327 N C -0.266 175.093 175.510 -0.251 0.000 1.134 327 N CA 0.117 53.027 53.050 -0.235 0.000 0.878 327 N CB 0.102 38.381 38.487 -0.346 0.000 0.972 327 N HN 0.337 nan 8.380 nan 0.000 0.456 328 F N 1.240 121.212 119.950 0.037 0.000 2.427 328 F HA 0.247 4.767 4.527 -0.012 0.000 0.346 328 F C 0.848 176.667 175.800 0.031 0.000 1.120 328 F CA -1.775 56.251 58.000 0.043 0.000 1.033 328 F CB 1.006 40.042 39.000 0.060 0.000 1.126 328 F HN -0.142 nan 8.300 nan 0.000 0.462 329 S N 2.888 118.724 115.700 0.227 0.000 2.579 329 S HA 0.085 4.550 4.470 -0.008 0.000 0.275 329 S C 1.320 175.988 174.600 0.114 0.000 1.345 329 S CA -0.780 57.493 58.200 0.122 0.000 1.031 329 S CB 0.721 63.970 63.200 0.082 0.000 0.892 329 S HN 0.791 nan 8.310 nan 0.000 0.529 330 M N 3.326 122.964 119.600 0.064 0.000 2.116 330 M HA -0.063 4.412 4.480 -0.008 0.000 0.255 330 M C 1.787 178.117 176.300 0.050 0.000 1.075 330 M CA 2.288 57.612 55.300 0.039 0.000 1.087 330 M CB -1.529 31.073 32.600 0.003 0.000 1.340 330 M HN 0.921 nan 8.290 nan 0.000 0.402 331 G N -0.231 108.601 108.800 0.054 0.000 2.524 331 G HA2 -0.278 3.678 3.960 -0.008 0.000 0.215 331 G HA3 -0.278 3.678 3.960 -0.008 0.000 0.215 331 G C 1.423 176.386 174.900 0.105 0.000 1.239 331 G CA 1.166 46.305 45.100 0.064 0.000 0.798 331 G HN 0.532 nan 8.290 nan 0.000 0.557 332 M N 0.505 120.166 119.600 0.102 0.000 2.195 332 M HA -0.080 4.395 4.480 -0.008 0.000 0.254 332 M C 2.243 178.610 176.300 0.113 0.000 1.083 332 M CA 1.211 56.592 55.300 0.135 0.000 1.069 332 M CB -0.484 32.207 32.600 0.151 0.000 1.364 332 M HN 0.256 nan 8.290 nan 0.000 0.403 333 L N -1.941 119.319 121.223 0.063 0.000 1.973 333 L HA -0.212 4.123 4.340 -0.008 0.000 0.208 333 L C 2.261 179.166 176.870 0.059 0.000 1.073 333 L CA 1.307 56.146 54.840 -0.003 0.000 0.746 333 L CB -0.967 41.105 42.059 0.021 0.000 0.891 333 L HN 0.096 nan 8.230 nan 0.000 0.433 334 V N -0.021 119.947 119.914 0.090 0.000 2.370 334 V HA -0.367 3.748 4.120 -0.008 0.000 0.252 334 V C 2.170 178.372 176.094 0.180 0.000 1.068 334 V CA 2.263 64.647 62.300 0.139 0.000 1.061 334 V CB -0.666 31.224 31.823 0.111 0.000 0.656 334 V HN 0.399 nan 8.190 nan 0.000 0.455 335 F N 0.677 120.649 119.950 0.037 0.000 2.010 335 F HA -0.233 4.294 4.527 0.000 0.000 0.296 335 F C 2.253 178.064 175.800 0.018 0.000 1.146 335 F CA 2.256 60.269 58.000 0.022 0.000 1.181 335 F CB -0.365 38.635 39.000 0.000 0.000 0.965 335 F HN 0.039 nan 8.300 nan 0.000 0.480 336 I N -0.274 120.190 120.570 -0.178 0.000 2.181 336 I HA -0.357 3.809 4.170 -0.008 0.000 0.247 336 I C 2.328 178.342 176.117 -0.171 0.000 1.081 336 I CA 1.599 62.721 61.300 -0.297 0.000 1.340 336 I CB -0.774 37.113 38.000 -0.188 0.000 1.036 336 I HN 0.302 nan 8.210 nan 0.000 0.417 337 F N 1.606 121.442 119.950 -0.190 0.000 1.988 337 F HA -0.249 4.273 4.527 -0.009 0.000 0.296 337 F C 2.457 178.187 175.800 -0.116 0.000 1.178 337 F CA 1.862 59.778 58.000 -0.139 0.000 1.174 337 F CB -1.001 37.925 39.000 -0.123 0.000 0.963 337 F HN -0.235 nan 8.300 nan 0.000 0.489 338 V N 0.995 120.770 119.914 -0.231 0.000 2.236 338 V HA -0.450 3.665 4.120 -0.008 0.000 0.255 338 V C 2.724 178.660 176.094 -0.262 0.000 1.068 338 V CA 2.743 64.887 62.300 -0.260 0.000 1.044 338 V CB -1.839 29.934 31.823 -0.084 0.000 0.653 338 V HN 0.621 nan 8.190 nan 0.000 0.448 339 A N -0.697 121.922 122.820 -0.336 0.000 1.917 339 A HA -0.280 4.036 4.320 -0.008 0.000 0.219 339 A C 2.335 179.786 177.584 -0.221 0.000 1.182 339 A CA 2.238 54.072 52.037 -0.338 0.000 0.633 339 A CB -0.560 18.048 19.000 -0.654 0.000 0.819 339 A HN 0.574 nan 8.150 nan 0.000 0.448 340 R N -0.768 119.598 120.500 -0.224 0.000 2.075 340 R HA -0.055 4.280 4.340 -0.008 0.000 0.232 340 R C 2.090 178.355 176.300 -0.059 0.000 1.126 340 R CA 1.310 57.337 56.100 -0.122 0.000 0.963 340 R CB -0.662 29.579 30.300 -0.098 0.000 0.858 340 R HN 0.426 nan 8.270 nan 0.000 0.435 341 V N 1.898 121.733 119.914 -0.131 0.000 2.250 341 V HA -0.320 3.795 4.120 -0.008 0.000 0.250 341 V C 2.349 178.531 176.094 0.147 0.000 1.060 341 V CA 2.034 64.368 62.300 0.056 0.000 1.030 341 V CB -0.540 31.281 31.823 -0.002 0.000 0.643 341 V HN 0.255 nan 8.190 nan 0.000 0.445 342 I N 0.881 121.469 120.570 0.030 0.000 2.076 342 I HA -0.286 3.880 4.170 -0.008 0.000 0.237 342 I C 2.823 178.969 176.117 0.047 0.000 1.059 342 I CA 2.333 63.645 61.300 0.020 0.000 1.317 342 I CB -1.035 36.944 38.000 -0.035 0.000 1.037 342 I HN 0.513 nan 8.210 nan 0.000 0.398 343 T N -1.926 112.642 114.554 0.023 0.000 2.778 343 T HA -0.192 4.154 4.350 -0.008 0.000 0.269 343 T C 1.700 176.453 174.700 0.089 0.000 1.050 343 T CA 2.018 64.143 62.100 0.043 0.000 1.137 343 T CB -1.030 67.846 68.868 0.013 0.000 0.860 343 T HN 0.327 nan 8.240 nan 0.000 0.468 344 T N 2.078 116.704 114.554 0.120 0.000 2.812 344 T HA 0.204 4.549 4.350 -0.008 0.000 0.264 344 T C 1.943 176.788 174.700 0.242 0.000 1.042 344 T CA 0.776 62.984 62.100 0.181 0.000 1.140 344 T CB -0.381 68.625 68.868 0.230 0.000 0.870 344 T HN 0.269 nan 8.240 nan 0.000 0.445 345 L N 0.562 121.918 121.223 0.222 0.000 1.961 345 L HA -0.030 4.305 4.340 -0.008 0.000 0.210 345 L C 2.477 179.440 176.870 0.156 0.000 1.072 345 L CA 0.904 55.848 54.840 0.174 0.000 0.749 345 L CB -0.703 41.422 42.059 0.110 0.000 0.889 345 L HN 0.206 nan 8.230 nan 0.000 0.432 346 L N -0.682 120.610 121.223 0.115 0.000 2.270 346 L HA -0.282 4.054 4.340 -0.008 0.000 0.217 346 L C 2.174 179.131 176.870 0.145 0.000 1.107 346 L CA 1.734 56.636 54.840 0.104 0.000 0.772 346 L CB -0.672 41.431 42.059 0.074 0.000 0.902 346 L HN 0.331 nan 8.230 nan 0.000 0.439 347 C N -2.391 117.013 119.300 0.173 0.000 2.525 347 C HA 0.084 4.539 4.460 -0.008 0.000 0.291 347 C C 2.352 177.493 174.990 0.252 0.000 1.351 347 C CA 0.003 59.139 59.018 0.197 0.000 1.771 347 C CB -0.676 27.163 27.740 0.164 0.000 2.177 347 C HN 0.656 nan 8.230 nan 0.000 0.510 348 F N 1.950 121.956 119.950 0.092 0.000 2.149 348 F HA 0.004 4.527 4.527 -0.007 0.000 0.294 348 F C 2.417 178.268 175.800 0.084 0.000 1.095 348 F CA 1.698 59.745 58.000 0.078 0.000 1.276 348 F CB -0.706 38.347 39.000 0.089 0.000 1.023 348 F HN 0.034 nan 8.300 nan 0.000 0.480 349 S N -0.251 115.479 115.700 0.050 0.000 2.440 349 S HA -0.159 4.306 4.470 -0.008 0.000 0.238 349 S C 1.716 176.353 174.600 0.062 0.000 1.010 349 S CA 1.110 59.295 58.200 -0.026 0.000 0.972 349 S CB -0.869 62.361 63.200 0.049 0.000 0.774 349 S HN 0.499 nan 8.310 nan 0.000 0.501 350 S N 0.951 116.741 115.700 0.150 0.000 2.768 350 S HA 0.365 4.830 4.470 -0.008 0.000 0.246 350 S C 1.281 176.104 174.600 0.371 0.000 1.006 350 S CA 0.172 58.566 58.200 0.322 0.000 1.075 350 S CB -0.715 62.711 63.200 0.376 0.000 0.786 350 S HN 0.591 nan 8.310 nan 0.000 0.468 351 G N 0.713 109.599 108.800 0.143 0.000 2.380 351 G HA2 -0.204 3.751 3.960 -0.008 0.000 0.298 351 G HA3 -0.204 3.751 3.960 -0.008 0.000 0.298 351 G C 0.362 175.138 174.900 -0.208 0.000 0.989 351 G CA 0.232 45.336 45.100 0.005 0.000 0.836 351 G HN 1.344 nan 8.290 nan 0.000 0.511 352 A N 0.528 123.183 122.820 -0.274 0.000 2.354 352 A HA 0.680 4.996 4.320 -0.008 0.000 0.269 352 A C -1.228 176.181 177.584 -0.293 0.000 1.109 352 A CA -1.200 50.462 52.037 -0.626 0.000 0.800 352 A CB 0.688 19.293 19.000 -0.659 0.000 1.045 352 A HN 0.225 nan 8.150 nan 0.000 0.489 353 P HA 0.272 nan 4.420 nan 0.000 0.263 353 P C 0.078 177.372 177.300 -0.010 0.000 1.276 353 P CA 0.798 63.827 63.100 -0.119 0.000 0.986 353 P CB 0.041 31.668 31.700 -0.121 0.000 1.105 354 G N 1.968 110.813 108.800 0.075 0.000 2.498 354 G HA2 0.460 4.415 3.960 -0.008 0.000 0.301 354 G HA3 0.460 4.415 3.960 -0.008 0.000 0.301 354 G C -0.461 174.565 174.900 0.210 0.000 1.577 354 G CA -0.446 44.733 45.100 0.131 0.000 0.868 354 G HN 0.473 nan 8.290 nan 0.000 0.599 355 G N -0.539 108.340 108.800 0.132 0.000 2.634 355 G HA2 0.492 4.447 3.960 -0.008 0.000 0.255 355 G HA3 0.492 4.447 3.960 -0.008 0.000 0.255 355 G C 0.593 175.399 174.900 -0.156 0.000 1.205 355 G CA -0.359 44.779 45.100 0.063 0.000 0.884 355 G HN 1.083 nan 8.290 nan 0.000 0.549 356 I N 0.414 120.745 120.570 -0.398 0.000 4.009 356 I HA 0.266 4.432 4.170 -0.008 0.000 0.331 356 I C 0.942 177.060 176.117 0.002 0.000 1.462 356 I CA -0.431 60.602 61.300 -0.446 0.000 1.117 356 I CB -0.059 37.312 38.000 -1.048 0.000 1.091 356 I HN 0.492 nan 8.210 nan 0.000 0.410 357 F N 2.091 122.007 119.950 -0.057 0.000 2.053 357 F HA 0.005 4.528 4.527 -0.006 0.000 0.292 357 F C 2.418 178.224 175.800 0.011 0.000 1.125 357 F CA 1.923 59.934 58.000 0.018 0.000 1.193 357 F CB -0.773 38.260 39.000 0.054 0.000 0.996 357 F HN 0.130 nan 8.300 nan 0.000 0.470 358 A N 1.724 124.509 122.820 -0.057 0.000 1.859 358 A HA -0.188 4.127 4.320 -0.008 0.000 0.217 358 A C -0.183 177.241 177.584 -0.267 0.000 1.198 358 A CA 2.321 54.183 52.037 -0.292 0.000 0.629 358 A CB -2.525 16.188 19.000 -0.478 0.000 0.830 358 A HN 0.388 nan 8.150 nan 0.000 0.446 359 P HA -0.206 nan 4.420 nan 0.000 0.218 359 P C 1.506 178.765 177.300 -0.069 0.000 1.146 359 P CA 1.602 64.633 63.100 -0.115 0.000 0.820 359 P CB -0.293 31.372 31.700 -0.058 0.000 0.778 360 M N -1.541 118.017 119.600 -0.069 0.000 2.319 360 M HA -0.047 4.429 4.480 -0.008 0.000 0.265 360 M C 2.320 178.592 176.300 -0.048 0.000 1.068 360 M CA 1.200 56.467 55.300 -0.055 0.000 1.118 360 M CB -0.576 32.020 32.600 -0.007 0.000 1.395 360 M HN -0.075 nan 8.290 nan 0.000 0.435 361 L N -0.106 121.055 121.223 -0.103 0.000 1.994 361 L HA -0.200 4.136 4.340 -0.008 0.000 0.208 361 L C 2.849 179.733 176.870 0.022 0.000 1.071 361 L CA 1.415 56.221 54.840 -0.058 0.000 0.745 361 L CB -0.846 41.191 42.059 -0.037 0.000 0.892 361 L HN 0.287 nan 8.230 nan 0.000 0.431 362 A N -0.068 122.760 122.820 0.014 0.000 1.851 362 A HA -0.216 4.100 4.320 -0.008 0.000 0.216 362 A C 2.174 179.808 177.584 0.083 0.000 1.195 362 A CA 1.395 53.465 52.037 0.056 0.000 0.622 362 A CB -0.861 18.151 19.000 0.020 0.000 0.831 362 A HN 0.275 nan 8.150 nan 0.000 0.444 363 L N -0.412 120.856 121.223 0.075 0.000 2.054 363 L HA -0.268 4.068 4.340 -0.008 0.000 0.220 363 L C 2.654 179.650 176.870 0.210 0.000 1.081 363 L CA 2.467 57.401 54.840 0.157 0.000 0.780 363 L CB -1.956 40.139 42.059 0.060 0.000 0.893 363 L HN 0.515 nan 8.230 nan 0.000 0.438 364 G N -1.940 106.983 108.800 0.205 0.000 2.414 364 G HA2 -0.242 3.714 3.960 -0.008 0.000 0.215 364 G HA3 -0.242 3.714 3.960 -0.008 0.000 0.215 364 G C 1.547 176.590 174.900 0.238 0.000 1.188 364 G CA 1.134 46.434 45.100 0.334 0.000 0.783 364 G HN 0.348 nan 8.290 nan 0.000 0.537 365 T N 1.148 115.783 114.554 0.134 0.000 2.565 365 T HA -0.224 4.121 4.350 -0.008 0.000 0.265 365 T C 2.544 177.314 174.700 0.116 0.000 1.082 365 T CA 2.111 64.283 62.100 0.121 0.000 1.173 365 T CB -0.628 68.311 68.868 0.119 0.000 0.864 365 T HN 0.054 nan 8.240 nan 0.000 0.425 366 V N 1.895 121.862 119.914 0.089 0.000 2.250 366 V HA -0.186 3.930 4.120 -0.008 0.000 0.250 366 V C 2.463 178.498 176.094 -0.097 0.000 1.060 366 V CA 1.964 64.280 62.300 0.026 0.000 1.030 366 V CB -1.007 30.840 31.823 0.041 0.000 0.643 366 V HN 0.359 nan 8.190 nan 0.000 0.445 367 L N 1.574 122.651 121.223 -0.243 0.000 2.079 367 L HA -0.048 4.287 4.340 -0.008 0.000 0.210 367 L C 2.269 179.070 176.870 -0.116 0.000 1.081 367 L CA 2.464 56.997 54.840 -0.512 0.000 0.752 367 L CB -1.473 40.066 42.059 -0.867 0.000 0.896 367 L HN 0.264 nan 8.230 nan 0.000 0.433 368 G N -1.584 107.298 108.800 0.135 0.000 2.453 368 G HA2 -0.260 3.696 3.960 -0.008 0.000 0.215 368 G HA3 -0.260 3.696 3.960 -0.008 0.000 0.215 368 G C 1.395 176.415 174.900 0.201 0.000 1.201 368 G CA 1.247 46.496 45.100 0.248 0.000 0.784 368 G HN 0.436 nan 8.290 nan 0.000 0.545 369 T N 2.025 116.665 114.554 0.144 0.000 2.597 369 T HA -0.195 4.151 4.350 -0.008 0.000 0.267 369 T C 2.781 177.513 174.700 0.054 0.000 1.053 369 T CA 2.280 64.456 62.100 0.126 0.000 1.165 369 T CB -0.727 68.221 68.868 0.133 0.000 0.863 369 T HN 0.430 nan 8.240 nan 0.000 0.427 370 A N 1.172 123.993 122.820 0.003 0.000 1.884 370 A HA -0.151 4.165 4.320 -0.008 0.000 0.219 370 A C 2.058 179.585 177.584 -0.094 0.000 1.197 370 A CA 2.077 54.080 52.037 -0.057 0.000 0.637 370 A CB -1.202 17.728 19.000 -0.117 0.000 0.827 370 A HN 0.482 nan 8.150 nan 0.000 0.450 371 F N 1.136 120.972 119.950 -0.192 0.000 2.126 371 F HA -0.076 4.447 4.527 -0.006 0.000 0.299 371 F C 2.309 177.865 175.800 -0.407 0.000 1.096 371 F CA 1.414 59.254 58.000 -0.266 0.000 1.255 371 F CB -0.876 37.984 39.000 -0.233 0.000 0.997 371 F HN 0.219 nan 8.300 nan 0.000 0.479 372 G N 0.686 109.272 108.800 -0.358 0.000 2.628 372 G HA2 -0.362 3.593 3.960 -0.008 0.000 0.217 372 G HA3 -0.362 3.593 3.960 -0.008 0.000 0.217 372 G C 1.727 176.373 174.900 -0.423 0.000 1.240 372 G CA 1.414 46.210 45.100 -0.506 0.000 0.792 372 G HN 0.405 nan 8.290 nan 0.000 0.593 373 M N -0.179 119.294 119.600 -0.211 0.000 2.113 373 M HA -0.203 4.273 4.480 -0.008 0.000 0.255 373 M C 2.724 178.881 176.300 -0.238 0.000 1.073 373 M CA 1.757 56.960 55.300 -0.162 0.000 1.091 373 M CB -0.710 31.835 32.600 -0.091 0.000 1.309 373 M HN 0.165 nan 8.290 nan 0.000 0.407 374 V N 0.305 120.024 119.914 -0.324 0.000 2.252 374 V HA -0.331 3.785 4.120 -0.008 0.000 0.249 374 V C 2.619 178.485 176.094 -0.380 0.000 1.056 374 V CA 2.173 64.267 62.300 -0.343 0.000 1.022 374 V CB -1.607 29.970 31.823 -0.410 0.000 0.641 374 V HN 0.589 nan 8.190 nan 0.000 0.445 375 A N 0.113 122.600 122.820 -0.555 0.000 1.851 375 A HA -0.207 4.109 4.320 -0.008 0.000 0.216 375 A C 2.386 179.916 177.584 -0.090 0.000 1.195 375 A CA 2.403 54.232 52.037 -0.346 0.000 0.622 375 A CB -1.058 17.456 19.000 -0.810 0.000 0.831 375 A HN 0.336 nan 8.150 nan 0.000 0.444 376 V N 1.315 121.142 119.914 -0.146 0.000 2.353 376 V HA -0.402 3.713 4.120 -0.008 0.000 0.260 376 V C 2.535 178.599 176.094 -0.049 0.000 1.091 376 V CA 2.824 65.105 62.300 -0.032 0.000 1.088 376 V CB -1.193 30.608 31.823 -0.036 0.000 0.672 376 V HN 0.932 nan 8.190 nan 0.000 0.455 377 E N -0.457 119.668 120.200 -0.124 0.000 2.201 377 E HA -0.021 4.324 4.350 -0.008 0.000 0.193 377 E C 2.154 178.602 176.600 -0.254 0.000 0.957 377 E CA 0.379 56.688 56.400 -0.152 0.000 0.858 377 E CB -0.448 29.164 29.700 -0.147 0.000 0.816 377 E HN 0.476 nan 8.360 nan 0.000 0.475 378 L N 0.187 121.169 121.223 -0.401 0.000 2.197 378 L HA -0.119 4.216 4.340 -0.008 0.000 0.215 378 L C 0.197 176.410 176.870 -1.096 0.000 1.095 378 L CA 1.190 55.539 54.840 -0.819 0.000 0.764 378 L CB -0.159 41.200 42.059 -1.167 0.000 0.897 378 L HN 0.151 nan 8.230 nan 0.000 0.436 379 F N -1.763 118.058 119.950 -0.215 0.000 2.810 379 F HA 0.309 4.831 4.527 -0.007 0.000 0.373 379 F C -1.760 173.910 175.800 -0.217 0.000 1.174 379 F CA -1.950 55.866 58.000 -0.306 0.000 1.141 379 F CB 0.378 39.022 39.000 -0.593 0.000 1.420 379 F HN -0.240 nan 8.300 nan 0.000 0.518 380 P HA -0.141 nan 4.420 nan 0.000 0.236 380 P C 0.925 178.122 177.300 -0.171 0.000 1.177 380 P CA 0.973 64.009 63.100 -0.106 0.000 0.773 380 P CB 0.401 32.032 31.700 -0.116 0.000 0.878 381 Q N -0.946 118.828 119.800 -0.043 0.000 2.425 381 Q HA -0.074 4.261 4.340 -0.008 0.000 0.204 381 Q C 1.406 177.680 176.000 0.456 0.000 0.933 381 Q CA 0.803 56.669 55.803 0.105 0.000 0.939 381 Q CB -0.991 27.832 28.738 0.142 0.000 1.044 381 Q HN 0.421 nan 8.270 nan 0.000 0.513 382 Y N 0.358 120.788 120.300 0.217 0.000 2.500 382 Y HA 0.029 4.574 4.550 -0.007 0.000 0.270 382 Y C -0.193 175.915 175.900 0.346 0.000 1.134 382 Y CA -0.257 58.006 58.100 0.272 0.000 1.293 382 Y CB 0.145 38.711 38.460 0.176 0.000 1.063 382 Y HN 0.283 nan 8.280 nan 0.000 0.534 383 H N -0.101 119.123 119.070 0.257 0.000 2.677 383 H HA -0.169 4.383 4.556 -0.006 0.000 0.321 383 H C -0.222 175.207 175.328 0.168 0.000 1.171 383 H CA 0.132 56.279 56.048 0.165 0.000 1.139 383 H CB -2.196 27.639 29.762 0.122 0.000 1.515 383 H HN 0.264 nan 8.280 nan 0.000 0.423 384 L N -0.052 121.336 121.223 0.275 0.000 2.470 384 L HA 0.293 4.629 4.340 -0.008 0.000 0.243 384 L C 1.116 178.113 176.870 0.211 0.000 1.227 384 L CA 0.096 55.104 54.840 0.279 0.000 0.824 384 L CB 0.495 42.768 42.059 0.357 0.000 1.175 384 L HN 0.475 nan 8.230 nan 0.000 0.503 385 E N -0.476 119.865 120.200 0.235 0.000 2.759 385 E HA 0.254 4.600 4.350 -0.008 0.000 0.318 385 E C 0.332 177.069 176.600 0.229 0.000 1.093 385 E CA -0.002 56.501 56.400 0.172 0.000 0.762 385 E CB 1.199 30.971 29.700 0.121 0.000 1.543 385 E HN 0.698 nan 8.360 nan 0.000 0.381 386 A N 3.296 126.244 122.820 0.213 0.000 1.971 386 A HA -0.366 3.950 4.320 -0.008 0.000 0.231 386 A C 1.971 179.729 177.584 0.291 0.000 1.546 386 A CA 2.750 54.927 52.037 0.233 0.000 0.716 386 A CB -1.486 17.575 19.000 0.101 0.000 0.839 386 A HN 0.802 nan 8.150 nan 0.000 0.513 387 G N -1.242 107.669 108.800 0.184 0.000 2.503 387 G HA2 -0.304 3.652 3.960 -0.008 0.000 0.221 387 G HA3 -0.304 3.652 3.960 -0.008 0.000 0.221 387 G C 1.721 176.700 174.900 0.131 0.000 1.131 387 G CA 2.595 47.779 45.100 0.141 0.000 0.756 387 G HN 1.051 nan 8.290 nan 0.000 0.572 388 T N -0.820 113.803 114.554 0.115 0.000 2.708 388 T HA -0.106 4.239 4.350 -0.008 0.000 0.266 388 T C 2.101 176.815 174.700 0.024 0.000 1.037 388 T CA 1.333 63.431 62.100 -0.004 0.000 1.146 388 T CB -0.574 68.218 68.868 -0.126 0.000 0.865 388 T HN 0.192 nan 8.240 nan 0.000 0.435 389 F N 2.321 122.380 119.950 0.180 0.000 2.269 389 F HA 0.266 4.789 4.527 -0.007 0.000 0.301 389 F C 2.903 178.778 175.800 0.125 0.000 1.082 389 F CA 0.436 58.538 58.000 0.170 0.000 1.360 389 F CB -0.811 38.269 39.000 0.132 0.000 1.041 389 F HN 0.285 nan 8.300 nan 0.000 0.512 390 A N 0.181 123.166 122.820 0.275 0.000 1.930 390 A HA -0.092 4.224 4.320 -0.008 0.000 0.217 390 A C 2.265 179.914 177.584 0.109 0.000 1.175 390 A CA 1.276 53.421 52.037 0.181 0.000 0.627 390 A CB -0.754 18.339 19.000 0.155 0.000 0.815 390 A HN 0.394 nan 8.150 nan 0.000 0.443 391 I N -0.707 119.909 120.570 0.077 0.000 2.584 391 I HA -0.125 4.040 4.170 -0.008 0.000 0.255 391 I C 2.728 178.833 176.117 -0.020 0.000 1.145 391 I CA 0.930 62.239 61.300 0.015 0.000 1.462 391 I CB -0.322 37.672 38.000 -0.010 0.000 1.102 391 I HN 0.357 nan 8.210 nan 0.000 0.433 392 A N 0.454 123.282 122.820 0.014 0.000 2.172 392 A HA -0.006 4.310 4.320 -0.008 0.000 0.216 392 A C 2.106 179.643 177.584 -0.078 0.000 1.154 392 A CA 1.608 53.644 52.037 -0.002 0.000 0.701 392 A CB -0.706 18.409 19.000 0.192 0.000 0.789 392 A HN 0.465 nan 8.150 nan 0.000 0.465 393 G N -2.005 106.748 108.800 -0.079 0.000 2.944 393 G HA2 0.141 4.097 3.960 -0.008 0.000 0.220 393 G HA3 0.141 4.097 3.960 -0.008 0.000 0.220 393 G C 1.250 175.993 174.900 -0.263 0.000 1.100 393 G CA 0.527 45.444 45.100 -0.305 0.000 0.780 393 G HN 0.354 nan 8.290 nan 0.000 0.539 394 M N 1.238 120.777 119.600 -0.101 0.000 2.346 394 M HA 0.024 4.499 4.480 -0.008 0.000 0.263 394 M C 1.933 178.168 176.300 -0.110 0.000 1.064 394 M CA 1.693 56.959 55.300 -0.056 0.000 1.083 394 M CB 0.042 32.637 32.600 -0.008 0.000 1.399 394 M HN 0.204 nan 8.290 nan 0.000 0.435 395 G N -1.724 106.976 108.800 -0.167 0.000 3.192 395 G HA2 0.334 4.290 3.960 -0.008 0.000 0.239 395 G HA3 0.334 4.290 3.960 -0.008 0.000 0.239 395 G C 1.207 175.984 174.900 -0.206 0.000 1.084 395 G CA 0.444 45.448 45.100 -0.161 0.000 0.784 395 G HN 0.516 nan 8.290 nan 0.000 0.540 396 A N 0.456 123.043 122.820 -0.389 0.000 2.015 396 A HA 0.154 4.469 4.320 -0.008 0.000 0.219 396 A C 1.936 179.328 177.584 -0.321 0.000 1.163 396 A CA 0.716 52.405 52.037 -0.579 0.000 0.646 396 A CB -0.170 17.995 19.000 -1.392 0.000 0.806 396 A HN 0.350 nan 8.150 nan 0.000 0.448 397 L N -0.382 120.767 121.223 -0.124 0.000 2.591 397 L HA 0.227 4.562 4.340 -0.008 0.000 0.228 397 L C 1.242 178.166 176.870 0.092 0.000 1.133 397 L CA 0.691 55.631 54.840 0.167 0.000 0.880 397 L CB -0.211 42.003 42.059 0.258 0.000 1.033 397 L HN 0.410 nan 8.230 nan 0.000 0.450 398 L N -1.077 120.160 121.223 0.023 0.000 2.585 398 L HA 0.117 4.452 4.340 -0.008 0.000 0.226 398 L C 2.114 179.024 176.870 0.066 0.000 1.113 398 L CA 0.446 55.338 54.840 0.086 0.000 0.876 398 L CB -0.017 42.081 42.059 0.065 0.000 1.072 398 L HN 0.192 nan 8.230 nan 0.000 0.468 399 A N -0.262 122.569 122.820 0.019 0.000 1.963 399 A HA 0.279 4.594 4.320 -0.008 0.000 0.207 399 A C 2.329 179.938 177.584 0.042 0.000 1.243 399 A CA 0.912 52.954 52.037 0.007 0.000 0.728 399 A CB -0.123 18.847 19.000 -0.051 0.000 0.895 399 A HN 0.231 nan 8.150 nan 0.000 0.467 400 A N -0.474 122.396 122.820 0.083 0.000 1.930 400 A HA 0.141 4.456 4.320 -0.008 0.000 0.215 400 A C 2.269 179.925 177.584 0.120 0.000 1.176 400 A CA 1.815 53.920 52.037 0.113 0.000 0.632 400 A CB -0.455 18.662 19.000 0.195 0.000 0.819 400 A HN 0.397 nan 8.150 nan 0.000 0.445 401 S N -0.624 115.169 115.700 0.155 0.000 2.288 401 S HA 0.072 4.538 4.470 -0.008 0.000 0.191 401 S C 1.737 176.445 174.600 0.180 0.000 1.028 401 S CA 0.702 59.017 58.200 0.192 0.000 1.030 401 S CB -0.582 62.784 63.200 0.277 0.000 0.932 401 S HN 0.501 nan 8.310 nan 0.000 0.463 402 I N 1.628 122.315 120.570 0.195 0.000 3.010 402 I HA -0.043 4.122 4.170 -0.008 0.000 0.271 402 I C -0.286 175.875 176.117 0.073 0.000 1.293 402 I CA 0.646 62.035 61.300 0.147 0.000 1.452 402 I CB -0.263 37.734 38.000 -0.005 0.000 1.082 402 I HN 0.275 nan 8.210 nan 0.000 0.484 403 R N 0.798 121.341 120.500 0.071 0.000 3.092 403 R HA -0.200 4.135 4.340 -0.008 0.000 0.245 403 R C 0.041 176.346 176.300 0.009 0.000 0.881 403 R CA 0.436 56.557 56.100 0.036 0.000 0.614 403 R CB -1.976 28.345 30.300 0.035 0.000 1.128 403 R HN 0.482 nan 8.270 nan 0.000 0.483 404 A N -0.004 122.828 122.820 0.020 0.000 3.129 404 A HA 0.402 4.717 4.320 -0.008 0.000 0.282 404 A C -1.630 175.964 177.584 0.016 0.000 0.948 404 A CA -1.218 50.829 52.037 0.017 0.000 1.027 404 A CB 0.614 19.662 19.000 0.081 0.000 1.123 404 A HN 0.085 nan 8.150 nan 0.000 0.485 405 P HA -0.282 nan 4.420 nan 0.000 0.216 405 P C 1.751 179.038 177.300 -0.022 0.000 1.151 405 P CA 1.343 64.428 63.100 -0.026 0.000 0.953 405 P CB 0.170 31.848 31.700 -0.036 0.000 0.789 406 L N -1.075 120.136 121.223 -0.020 0.000 1.997 406 L HA -0.222 4.114 4.340 -0.008 0.000 0.216 406 L C 2.184 179.051 176.870 -0.006 0.000 1.074 406 L CA 2.387 57.217 54.840 -0.016 0.000 0.763 406 L CB -1.708 40.340 42.059 -0.018 0.000 0.890 406 L HN 0.010 nan 8.230 nan 0.000 0.434 407 T N -0.799 113.769 114.554 0.023 0.000 2.821 407 T HA -0.088 4.258 4.350 -0.008 0.000 0.267 407 T C 1.650 176.349 174.700 -0.002 0.000 1.046 407 T CA 1.131 63.259 62.100 0.046 0.000 1.139 407 T CB -0.754 68.240 68.868 0.211 0.000 0.871 407 T HN 0.620 nan 8.240 nan 0.000 0.454 408 G N 1.811 110.614 108.800 0.006 0.000 2.421 408 G HA2 -0.137 3.818 3.960 -0.008 0.000 0.216 408 G HA3 -0.137 3.818 3.960 -0.008 0.000 0.216 408 G C 1.463 176.324 174.900 -0.065 0.000 1.171 408 G CA 0.396 45.478 45.100 -0.030 0.000 0.775 408 G HN 0.374 nan 8.290 nan 0.000 0.543 409 I N 1.056 121.592 120.570 -0.057 0.000 2.179 409 I HA -0.088 4.078 4.170 -0.008 0.000 0.242 409 I C 2.808 178.896 176.117 -0.049 0.000 1.088 409 I CA 0.981 62.244 61.300 -0.062 0.000 1.357 409 I CB -0.884 37.083 38.000 -0.055 0.000 1.051 409 I HN 0.180 nan 8.210 nan 0.000 0.409 410 I N 0.187 120.732 120.570 -0.041 0.000 2.361 410 I HA -0.291 3.874 4.170 -0.008 0.000 0.251 410 I C 2.540 178.619 176.117 -0.063 0.000 1.133 410 I CA 0.869 62.147 61.300 -0.038 0.000 1.413 410 I CB -0.213 37.766 38.000 -0.035 0.000 1.073 410 I HN 0.195 nan 8.210 nan 0.000 0.424 411 L N 0.405 121.569 121.223 -0.099 0.000 2.005 411 L HA -0.147 4.188 4.340 -0.008 0.000 0.207 411 L C 2.413 179.230 176.870 -0.089 0.000 1.072 411 L CA 1.717 56.468 54.840 -0.149 0.000 0.744 411 L CB -0.495 41.407 42.059 -0.263 0.000 0.895 411 L HN -0.067 nan 8.230 nan 0.000 0.433 412 V N -0.084 119.784 119.914 -0.076 0.000 2.217 412 V HA -0.398 3.718 4.120 -0.008 0.000 0.248 412 V C 2.525 178.602 176.094 -0.028 0.000 1.050 412 V CA 2.390 64.662 62.300 -0.047 0.000 1.007 412 V CB -0.826 30.961 31.823 -0.060 0.000 0.639 412 V HN 0.577 nan 8.190 nan 0.000 0.452 413 L N -0.243 120.965 121.223 -0.025 0.000 2.010 413 L HA -0.294 4.041 4.340 -0.008 0.000 0.219 413 L C 2.781 179.653 176.870 0.003 0.000 1.077 413 L CA 2.092 56.934 54.840 0.003 0.000 0.773 413 L CB -0.573 41.507 42.059 0.035 0.000 0.892 413 L HN 0.422 nan 8.230 nan 0.000 0.436 414 E N -0.065 120.127 120.200 -0.013 0.000 2.197 414 E HA -0.288 4.057 4.350 -0.008 0.000 0.205 414 E C 1.818 178.416 176.600 -0.004 0.000 1.029 414 E CA 2.421 58.811 56.400 -0.017 0.000 0.828 414 E CB -0.248 29.428 29.700 -0.042 0.000 0.737 414 E HN 0.766 nan 8.360 nan 0.000 0.464 415 M N -2.479 117.120 119.600 -0.001 0.000 2.300 415 M HA 0.211 4.686 4.480 -0.008 0.000 0.313 415 M C 1.315 177.608 176.300 -0.012 0.000 0.988 415 M CA 0.506 55.805 55.300 -0.002 0.000 1.012 415 M CB 0.685 33.290 32.600 0.008 0.000 1.586 415 M HN -0.096 nan 8.290 nan 0.000 0.562 416 T N -4.337 110.213 114.554 -0.007 0.000 3.040 416 T HA 0.084 4.429 4.350 -0.008 0.000 0.266 416 T C 0.592 175.292 174.700 -0.001 0.000 1.005 416 T CA 0.098 62.193 62.100 -0.008 0.000 0.906 416 T CB -0.146 68.717 68.868 -0.010 0.000 1.082 416 T HN 0.362 nan 8.240 nan 0.000 0.531 417 D N 2.275 122.680 120.400 0.008 0.000 2.781 417 D HA -0.191 4.444 4.640 -0.008 0.000 0.221 417 D C -0.400 175.916 176.300 0.027 0.000 1.224 417 D CA 0.507 54.520 54.000 0.021 0.000 0.625 417 D CB -1.667 39.141 40.800 0.014 0.000 0.987 417 D HN 0.590 nan 8.370 nan 0.000 0.402 418 N N 0.596 119.308 118.700 0.021 0.000 2.598 418 N HA -0.019 4.717 4.740 -0.008 0.000 0.309 418 N C 0.609 176.111 175.510 -0.013 0.000 1.645 418 N CA -0.423 52.627 53.050 0.000 0.000 0.936 418 N CB 0.058 38.526 38.487 -0.032 0.000 1.323 418 N HN 0.291 nan 8.380 nan 0.000 0.497 419 Y N 2.146 122.413 120.300 -0.056 0.000 2.425 419 Y HA -0.276 4.270 4.550 -0.007 0.000 0.285 419 Y C 1.831 177.686 175.900 -0.076 0.000 1.170 419 Y CA 1.909 59.971 58.100 -0.063 0.000 1.304 419 Y CB 0.232 38.662 38.460 -0.050 0.000 0.972 419 Y HN 0.320 nan 8.280 nan 0.000 0.558 420 Q N -0.685 119.005 119.800 -0.182 0.000 2.472 420 Q HA 0.034 4.370 4.340 -0.008 0.000 0.208 420 Q C 1.396 177.212 176.000 -0.306 0.000 0.958 420 Q CA 1.210 56.873 55.803 -0.233 0.000 0.932 420 Q CB -0.436 28.239 28.738 -0.104 0.000 1.007 420 Q HN 0.531 nan 8.270 nan 0.000 0.508 421 L N -0.601 120.433 121.223 -0.316 0.000 2.585 421 L HA 0.148 4.484 4.340 -0.008 0.000 0.226 421 L C 1.521 178.152 176.870 -0.397 0.000 1.113 421 L CA -0.232 54.406 54.840 -0.337 0.000 0.876 421 L CB -0.051 41.857 42.059 -0.252 0.000 1.072 421 L HN 0.196 nan 8.230 nan 0.000 0.468 422 I N 0.469 120.755 120.570 -0.472 0.000 2.182 422 I HA -0.370 3.795 4.170 -0.008 0.000 0.248 422 I C 2.206 178.114 176.117 -0.347 0.000 1.073 422 I CA 1.759 62.785 61.300 -0.456 0.000 1.335 422 I CB -0.066 37.459 38.000 -0.792 0.000 1.031 422 I HN 0.161 nan 8.210 nan 0.000 0.420 423 L N 0.657 121.662 121.223 -0.363 0.000 1.988 423 L HA -0.052 4.284 4.340 -0.008 0.000 0.207 423 L C -0.449 176.218 176.870 -0.338 0.000 1.071 423 L CA 2.189 56.855 54.840 -0.290 0.000 0.744 423 L CB -1.869 40.035 42.059 -0.259 0.000 0.893 423 L HN 0.123 nan 8.230 nan 0.000 0.433 424 P HA -0.164 nan 4.420 nan 0.000 0.218 424 P C 1.995 179.033 177.300 -0.437 0.000 1.148 424 P CA 1.505 64.107 63.100 -0.831 0.000 0.822 424 P CB -0.109 30.477 31.700 -1.856 0.000 0.784 425 M N -1.935 117.458 119.600 -0.346 0.000 2.159 425 M HA -0.133 4.342 4.480 -0.008 0.000 0.263 425 M C 2.037 178.244 176.300 -0.155 0.000 1.063 425 M CA 1.785 56.958 55.300 -0.211 0.000 1.110 425 M CB -0.787 31.696 32.600 -0.195 0.000 1.374 425 M HN 0.005 nan 8.290 nan 0.000 0.411 426 I N 0.063 120.541 120.570 -0.154 0.000 2.296 426 I HA -0.198 3.968 4.170 -0.008 0.000 0.242 426 I C 2.170 178.237 176.117 -0.083 0.000 1.087 426 I CA 0.791 62.027 61.300 -0.107 0.000 1.393 426 I CB -0.206 37.738 38.000 -0.095 0.000 1.093 426 I HN 0.154 nan 8.210 nan 0.000 0.421 427 I N 0.699 121.219 120.570 -0.083 0.000 2.597 427 I HA -0.296 3.870 4.170 -0.008 0.000 0.262 427 I C 2.125 178.241 176.117 -0.002 0.000 1.194 427 I CA 1.285 62.566 61.300 -0.030 0.000 1.437 427 I CB -0.647 37.347 38.000 -0.011 0.000 1.096 427 I HN 0.325 nan 8.210 nan 0.000 0.451 428 T N -0.169 114.372 114.554 -0.021 0.000 2.988 428 T HA 0.055 4.401 4.350 -0.008 0.000 0.240 428 T C 1.897 176.549 174.700 -0.080 0.000 1.014 428 T CA 0.953 63.039 62.100 -0.023 0.000 1.155 428 T CB -0.288 68.576 68.868 -0.006 0.000 0.872 428 T HN 0.477 nan 8.240 nan 0.000 0.440 429 G N 0.900 109.637 108.800 -0.105 0.000 2.535 429 G HA2 -0.065 3.891 3.960 -0.008 0.000 0.218 429 G HA3 -0.065 3.891 3.960 -0.008 0.000 0.218 429 G C 1.396 176.251 174.900 -0.076 0.000 1.122 429 G CA 0.536 45.570 45.100 -0.110 0.000 0.769 429 G HN 0.319 nan 8.290 nan 0.000 0.549 430 L N 0.389 121.573 121.223 -0.064 0.000 2.185 430 L HA 0.371 4.707 4.340 -0.008 0.000 0.198 430 L C 2.878 179.709 176.870 -0.066 0.000 1.079 430 L CA 1.620 56.424 54.840 -0.061 0.000 0.780 430 L CB -0.857 41.172 42.059 -0.049 0.000 0.955 430 L HN 0.114 nan 8.230 nan 0.000 0.462 431 G N -0.513 108.260 108.800 -0.045 0.000 2.581 431 G HA2 -0.333 3.623 3.960 -0.008 0.000 0.223 431 G HA3 -0.333 3.623 3.960 -0.008 0.000 0.223 431 G C 1.440 176.315 174.900 -0.041 0.000 1.094 431 G CA 1.105 46.182 45.100 -0.038 0.000 0.736 431 G HN 0.604 nan 8.290 nan 0.000 0.588 432 A N 0.951 123.751 122.820 -0.033 0.000 1.819 432 A HA -0.018 4.297 4.320 -0.008 0.000 0.215 432 A C 2.688 180.255 177.584 -0.028 0.000 1.226 432 A CA 2.971 55.008 52.037 -0.000 0.000 0.608 432 A CB -1.371 17.619 19.000 -0.016 0.000 0.877 432 A HN 0.614 nan 8.150 nan 0.000 0.452 433 T N -1.543 112.982 114.554 -0.049 0.000 2.946 433 T HA -0.064 4.282 4.350 -0.008 0.000 0.271 433 T C 1.575 176.184 174.700 -0.153 0.000 1.104 433 T CA 1.251 63.312 62.100 -0.066 0.000 1.114 433 T CB -0.283 68.552 68.868 -0.054 0.000 0.867 433 T HN 0.166 nan 8.240 nan 0.000 0.513 434 L N -0.325 120.767 121.223 -0.219 0.000 2.395 434 L HA 0.199 4.535 4.340 -0.008 0.000 0.218 434 L C 1.913 178.419 176.870 -0.608 0.000 1.130 434 L CA 0.958 55.516 54.840 -0.471 0.000 0.826 434 L CB -0.444 41.387 42.059 -0.379 0.000 0.941 434 L HN 0.360 nan 8.230 nan 0.000 0.451 435 L N -1.373 119.702 121.223 -0.246 0.000 2.638 435 L HA 0.187 4.522 4.340 -0.008 0.000 0.232 435 L C 2.115 178.983 176.870 -0.003 0.000 1.099 435 L CA 0.609 55.396 54.840 -0.088 0.000 0.883 435 L CB -0.326 41.737 42.059 0.007 0.000 1.136 435 L HN 0.076 nan 8.230 nan 0.000 0.492 436 A N -1.231 121.574 122.820 -0.025 0.000 2.238 436 A HA -0.030 4.285 4.320 -0.008 0.000 0.210 436 A C 2.023 179.626 177.584 0.032 0.000 1.179 436 A CA 0.360 52.410 52.037 0.021 0.000 0.827 436 A CB 0.129 19.146 19.000 0.029 0.000 0.856 436 A HN 0.402 nan 8.150 nan 0.000 0.488 437 Q N -1.069 118.734 119.800 0.005 0.000 2.252 437 Q HA 0.030 4.365 4.340 -0.008 0.000 0.195 437 Q C 0.935 177.075 176.000 0.232 0.000 0.974 437 Q CA 0.470 56.319 55.803 0.078 0.000 0.846 437 Q CB -0.105 28.647 28.738 0.023 0.000 0.943 437 Q HN 0.483 nan 8.270 nan 0.000 0.516 438 F N 1.799 121.770 119.950 0.035 0.000 2.549 438 F HA -0.062 4.461 4.527 -0.007 0.000 0.295 438 F C 0.922 176.740 175.800 0.031 0.000 1.124 438 F CA 1.285 59.304 58.000 0.033 0.000 1.482 438 F CB -0.774 38.247 39.000 0.035 0.000 1.108 438 F HN 0.089 nan 8.300 nan 0.000 0.602 439 T N -2.524 112.153 114.554 0.205 0.000 3.160 439 T HA 0.558 4.904 4.350 -0.008 0.000 0.346 439 T C 0.621 175.369 174.700 0.081 0.000 1.027 439 T CA -0.170 62.003 62.100 0.122 0.000 1.287 439 T CB 0.650 69.579 68.868 0.103 0.000 0.997 439 T HN 0.442 nan 8.240 nan 0.000 0.518 440 G N 2.810 111.654 108.800 0.075 0.000 2.672 440 G HA2 0.169 4.124 3.960 -0.008 0.000 0.324 440 G HA3 0.169 4.124 3.960 -0.008 0.000 0.324 440 G C 0.871 175.801 174.900 0.051 0.000 1.286 440 G CA 0.832 45.964 45.100 0.053 0.000 1.004 440 G HN 2.594 nan 8.290 nan 0.000 0.548 441 G N -1.384 107.435 108.800 0.031 0.000 2.999 441 G HA2 0.226 4.182 3.960 -0.008 0.000 0.686 441 G HA3 0.226 4.182 3.960 -0.008 0.000 0.686 441 G C -0.341 174.588 174.900 0.048 0.000 1.551 441 G CA 1.225 46.344 45.100 0.031 0.000 1.126 441 G HN 1.349 nan 8.290 nan 0.000 0.603 442 K N 1.819 122.252 120.400 0.055 0.000 2.579 442 K HA 0.408 4.723 4.320 -0.008 0.000 0.284 442 K C -2.888 173.764 176.600 0.088 0.000 0.990 442 K CA -1.976 54.353 56.287 0.069 0.000 0.880 442 K CB 2.518 35.058 32.500 0.066 0.000 1.488 442 K HN 0.220 nan 8.250 nan 0.000 0.425 443 P HA -0.106 nan 4.420 nan 0.000 0.231 443 P C 0.893 178.293 177.300 0.166 0.000 1.210 443 P CA 0.224 63.394 63.100 0.117 0.000 1.332 443 P CB -0.031 31.726 31.700 0.096 0.000 1.594 444 L N 2.315 123.656 121.223 0.196 0.000 2.198 444 L HA -0.258 4.078 4.340 -0.008 0.000 0.218 444 L C 0.975 178.008 176.870 0.272 0.000 1.084 444 L CA 2.331 57.311 54.840 0.233 0.000 0.779 444 L CB -0.718 41.517 42.059 0.293 0.000 0.890 444 L HN 0.306 nan 8.230 nan 0.000 0.439 445 Y N -0.886 119.470 120.300 0.094 0.000 2.544 445 Y HA -0.021 4.524 4.550 -0.008 0.000 0.286 445 Y C 2.674 178.608 175.900 0.057 0.000 1.141 445 Y CA 0.873 59.024 58.100 0.085 0.000 1.299 445 Y CB 0.038 38.539 38.460 0.067 0.000 1.030 445 Y HN 0.170 nan 8.280 nan 0.000 0.543 446 S N -0.770 115.034 115.700 0.173 0.000 2.438 446 S HA 0.049 4.514 4.470 -0.008 0.000 0.220 446 S C 2.280 176.929 174.600 0.082 0.000 1.045 446 S CA 0.598 58.866 58.200 0.114 0.000 0.940 446 S CB -0.521 62.752 63.200 0.121 0.000 0.863 446 S HN 0.370 nan 8.310 nan 0.000 0.539 447 A N 1.326 124.196 122.820 0.083 0.000 2.159 447 A HA -0.134 4.181 4.320 -0.008 0.000 0.222 447 A C 1.848 179.452 177.584 0.032 0.000 1.163 447 A CA 1.213 53.283 52.037 0.056 0.000 0.664 447 A CB -0.829 18.206 19.000 0.058 0.000 0.803 447 A HN 0.521 nan 8.150 nan 0.000 0.470 448 I N -1.747 118.839 120.570 0.026 0.000 2.339 448 I HA -0.111 4.054 4.170 -0.008 0.000 0.245 448 I C 2.210 178.320 176.117 -0.011 0.000 1.096 448 I CA 0.801 62.096 61.300 -0.009 0.000 1.408 448 I CB -0.163 37.811 38.000 -0.043 0.000 1.092 448 I HN 0.391 nan 8.210 nan 0.000 0.423 449 L N 1.204 122.429 121.223 0.004 0.000 2.362 449 L HA -0.052 4.283 4.340 -0.008 0.000 0.219 449 L C 2.329 179.208 176.870 0.014 0.000 1.134 449 L CA 1.549 56.394 54.840 0.008 0.000 0.807 449 L CB -0.662 41.411 42.059 0.024 0.000 0.927 449 L HN 0.152 nan 8.230 nan 0.000 0.447 450 A N -0.048 122.784 122.820 0.020 0.000 1.832 450 A HA -0.152 4.163 4.320 -0.008 0.000 0.214 450 A C 2.322 179.908 177.584 0.002 0.000 1.200 450 A CA 1.483 53.530 52.037 0.016 0.000 0.610 450 A CB -0.469 18.544 19.000 0.022 0.000 0.842 450 A HN 0.448 nan 8.150 nan 0.000 0.444 451 R N -0.538 119.960 120.500 -0.004 0.000 2.120 451 R HA -0.079 4.257 4.340 -0.008 0.000 0.234 451 R C 1.671 177.960 176.300 -0.019 0.000 1.123 451 R CA 1.731 57.822 56.100 -0.014 0.000 0.975 451 R CB -1.111 29.176 30.300 -0.022 0.000 0.866 451 R HN 0.487 nan 8.270 nan 0.000 0.446 452 T N 0.990 115.533 114.554 -0.018 0.000 3.113 452 T HA 0.045 4.390 4.350 -0.008 0.000 0.256 452 T C 1.448 176.141 174.700 -0.010 0.000 1.131 452 T CA 0.381 62.469 62.100 -0.020 0.000 1.074 452 T CB 0.107 68.960 68.868 -0.025 0.000 0.944 452 T HN -0.004 nan 8.240 nan 0.000 0.516 453 L N 0.319 121.540 121.223 -0.005 0.000 2.537 453 L HA 0.551 4.886 4.340 -0.008 0.000 0.224 453 L C 2.156 179.026 176.870 -0.001 0.000 1.065 453 L CA 0.487 55.328 54.840 0.001 0.000 0.860 453 L CB -0.277 41.787 42.059 0.008 0.000 1.086 453 L HN 0.140 nan 8.230 nan 0.000 0.482 454 A N -1.382 121.435 122.820 -0.004 0.000 2.251 454 A HA 0.008 4.323 4.320 -0.008 0.000 0.209 454 A C 2.118 179.698 177.584 -0.008 0.000 1.187 454 A CA 0.628 52.661 52.037 -0.006 0.000 0.823 454 A CB -0.263 18.733 19.000 -0.007 0.000 0.846 454 A HN 0.319 nan 8.150 nan 0.000 0.486 455 K N -0.841 119.553 120.400 -0.009 0.000 2.313 455 K HA 0.051 4.366 4.320 -0.008 0.000 0.197 455 K C 1.987 178.584 176.600 -0.005 0.000 1.061 455 K CA 0.572 56.853 56.287 -0.011 0.000 0.980 455 K CB -0.046 32.443 32.500 -0.019 0.000 0.888 455 K HN 0.503 nan 8.250 nan 0.000 0.502 456 Q N 1.318 121.116 119.800 -0.002 0.000 2.014 456 Q HA -0.199 4.136 4.340 -0.008 0.000 0.207 456 Q C 0.325 176.327 176.000 0.003 0.000 0.993 456 Q CA 1.845 57.649 55.803 0.002 0.000 0.850 456 Q CB -0.003 28.738 28.738 0.004 0.000 0.916 456 Q HN 0.430 nan 8.270 nan 0.000 0.417 457 E N -2.412 117.790 120.200 0.002 0.000 2.302 457 E HA 0.459 4.804 4.350 -0.008 0.000 0.255 457 E C 0.084 176.684 176.600 -0.000 0.000 1.099 457 E CA -0.078 56.323 56.400 0.002 0.000 0.929 457 E CB 0.870 30.572 29.700 0.002 0.000 1.203 457 E HN 0.267 nan 8.360 nan 0.000 0.459 458 A N -0.092 122.727 122.820 -0.001 0.000 3.172 458 A HA -0.259 4.057 4.320 -0.008 0.000 0.263 458 A C 0.508 178.091 177.584 -0.001 0.000 1.215 458 A CA 1.604 53.639 52.037 -0.002 0.000 1.065 458 A CB -2.161 16.836 19.000 -0.004 0.000 1.148 458 A HN 0.691 nan 8.150 nan 0.000 0.904 459 E N -0.288 119.913 120.200 0.001 0.000 3.626 459 E HA 0.394 4.740 4.350 -0.008 0.000 0.245 459 E C -0.244 176.359 176.600 0.004 0.000 1.236 459 E CA 0.206 56.608 56.400 0.003 0.000 1.072 459 E CB -0.066 29.636 29.700 0.004 0.000 1.309 459 E HN 0.812 nan 8.360 nan 0.000 0.400 460 Q N 0.000 119.802 119.800 0.003 0.000 2.315 460 Q HA 0.000 4.335 4.340 -0.008 0.000 0.214 460 Q CA 0.000 55.805 55.803 0.004 0.000 1.022 460 Q CB 0.000 28.741 28.738 0.004 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481