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 3i5f_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTMDFSDPDM EFLCLTRQKL MEATSIPFDG KKNCWVPDPD FGFVGAEIQS DATA SEQUENCE TKGDEVTVKT DKTQETRVVK KDDIGQRNPP KFEMNMDMAN LTFLNEASIL DATA SEQUENCE HNLRSRYESG FIYTYSGLFC IAINPYRRLP IYTQGLVDKY RGKRRAEMPP DATA SEQUENCE HLFSIADNAY QYMLQDRENQ SMLITGESGA GKTENTKKVI QYFALVAASL DATA SEQUENCE AXXXXXXXXX XXXXEKKGTL EDQIVQCNPV LEAYGNAKTT RNNNSSRFGK DATA SEQUENCE FIRIHFGTQG KIAGADIETY LLEKSRVTYQ QSAERNYHIF YQLLSPAFPE DATA SEQUENCE NIEKILAVPD PGLYGFINQG TLTVDGIDDE EEMGLTDTAF DVLGFTDEEK DATA SEQUENCE LSMYKCTGCI LHLGEMKWKQ RGEQAEADGT AEAEKVAFLL GVNAGDLLKC DATA SEQUENCE LLKPKIKVGT EYVTQGRNKD QVTNSIAALA KSLYDRMFNW LVRRVNQTLD DATA SEQUENCE TKAKRQFFIG VLDIAGFEIF DFNSFEQLCI NYTNERLQQF FNHHMFVLEQ DATA SEQUENCE EEYKKEGIVW EFIDFGLDLQ ACIELIEKPM GILSILEEEC MFPKASDTSF DATA SEQUENCE KNKLYDNHLG KNPMFGKPKP PKAGCAEAHF CLHHYAGSVS YSIAGWLDKN DATA SEQUENCE KDPINENVVE LLQNSKEPIV KMLFTPXXXX XXXXXXXXXX XXAFQTISSV DATA SEQUENCE HKESLNKLMK NLYSTHPHFV RCIIPNELKT PGLIDAALVL HQLRCNGVLE DATA SEQUENCE GIRICRKGFP NRIIYSEFKQ RYSILAPNAV PSGFADGKVV TDKALSALQL DATA SEQUENCE DPNEYRLGNT KVFFKAGVLG MLEDMRDERL SKIISMFQAH IRGYLMRKAY DATA SEQUENCE KKLQDQRIGL TLIQRNVRKW LVLRNWEWWR LFNKVKPLL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.903 176.300 -0.661 0.000 1.140 1 M CA 0.000 54.860 55.300 -0.734 0.000 0.988 1 M CB 0.000 32.453 32.600 -0.245 0.000 1.302 2 T N -1.240 112.703 114.554 -1.019 0.000 3.933 2 T HA 0.550 4.899 4.350 -0.002 0.000 0.357 2 T C -0.334 174.308 174.700 -0.097 0.000 1.077 2 T CA -0.982 60.915 62.100 -0.337 0.000 1.082 2 T CB 1.114 69.838 68.868 -0.239 0.000 1.158 2 T HN 0.291 nan 8.240 nan 0.000 0.472 3 M N 2.231 121.901 119.600 0.117 0.000 4.037 3 M HA -0.154 4.326 4.480 -0.002 0.000 0.157 3 M C 0.152 176.542 176.300 0.150 0.000 1.531 3 M CA 0.888 56.257 55.300 0.115 0.000 1.094 3 M CB -1.373 31.210 32.600 -0.028 0.000 1.346 3 M HN 1.157 nan 8.290 nan 0.000 0.202 4 D N 2.958 123.479 120.400 0.202 0.000 2.927 4 D HA -0.196 4.443 4.640 -0.002 0.000 0.236 4 D C 0.467 176.914 176.300 0.245 0.000 1.163 4 D CA 0.791 54.877 54.000 0.144 0.000 0.801 4 D CB -0.908 39.924 40.800 0.053 0.000 0.975 4 D HN 0.678 nan 8.370 nan 0.000 0.413 5 F N -0.381 119.545 119.950 -0.040 0.000 2.440 5 F HA -0.189 4.337 4.527 -0.002 0.000 0.297 5 F C 2.109 177.893 175.800 -0.026 0.000 1.077 5 F CA 0.671 58.650 58.000 -0.036 0.000 1.462 5 F CB 0.032 39.012 39.000 -0.034 0.000 1.101 5 F HN 0.099 nan 8.300 nan 0.000 0.584 6 S N -1.136 114.656 115.700 0.153 0.000 2.809 6 S HA 0.030 4.499 4.470 -0.002 0.000 0.248 6 S C -0.196 174.434 174.600 0.050 0.000 1.071 6 S CA -0.471 57.776 58.200 0.078 0.000 1.059 6 S CB -0.165 63.063 63.200 0.046 0.000 0.923 6 S HN 0.086 nan 8.310 nan 0.000 0.516 7 D N 3.155 123.588 120.400 0.054 0.000 2.351 7 D HA 0.138 4.777 4.640 -0.002 0.000 0.251 7 D C -1.269 175.054 176.300 0.039 0.000 1.137 7 D CA -1.653 52.370 54.000 0.038 0.000 0.879 7 D CB 1.622 42.441 40.800 0.032 0.000 1.181 7 D HN 0.103 nan 8.370 nan 0.000 0.448 8 P HA -0.191 nan 4.420 nan 0.000 0.217 8 P C 0.565 177.906 177.300 0.068 0.000 1.151 8 P CA 1.103 64.229 63.100 0.043 0.000 0.849 8 P CB 0.459 32.184 31.700 0.041 0.000 0.787 9 D N -0.417 120.024 120.400 0.069 0.000 2.149 9 D HA -0.115 4.524 4.640 -0.002 0.000 0.198 9 D C 1.724 178.099 176.300 0.125 0.000 0.990 9 D CA 1.067 55.123 54.000 0.092 0.000 0.839 9 D CB -0.645 40.185 40.800 0.051 0.000 0.948 9 D HN 0.153 nan 8.370 nan 0.000 0.460 10 M N 0.576 120.227 119.600 0.084 0.000 2.747 10 M HA 0.010 4.489 4.480 -0.002 0.000 0.221 10 M C 1.504 177.853 176.300 0.081 0.000 1.107 10 M CA 0.343 55.690 55.300 0.078 0.000 1.031 10 M CB -0.693 31.921 32.600 0.023 0.000 1.727 10 M HN 0.136 nan 8.290 nan 0.000 0.517 11 E N 0.493 120.741 120.200 0.080 0.000 2.209 11 E HA -0.179 4.170 4.350 -0.002 0.000 0.196 11 E C 0.622 177.065 176.600 -0.261 0.000 0.993 11 E CA 1.301 57.632 56.400 -0.115 0.000 0.819 11 E CB 0.174 29.736 29.700 -0.230 0.000 0.745 11 E HN 0.496 nan 8.360 nan 0.000 0.477 12 F N -1.240 118.844 119.950 0.223 0.000 2.706 12 F HA 0.229 4.755 4.527 -0.002 0.000 0.313 12 F C 1.182 177.196 175.800 0.357 0.000 1.096 12 F CA -0.283 57.935 58.000 0.363 0.000 1.219 12 F CB 0.510 39.597 39.000 0.145 0.000 1.051 12 F HN -0.055 nan 8.300 nan 0.000 0.568 13 L N -0.859 120.473 121.223 0.182 0.000 2.296 13 L HA 0.186 4.525 4.340 -0.002 0.000 0.193 13 L C 0.965 177.476 176.870 -0.597 0.000 1.123 13 L CA 0.093 54.879 54.840 -0.091 0.000 0.805 13 L CB -0.604 41.510 42.059 0.091 0.000 1.004 13 L HN 0.125 nan 8.230 nan 0.000 0.478 14 C N -1.438 117.620 119.300 -0.404 0.000 2.564 14 C HA 0.653 5.112 4.460 -0.002 0.000 0.381 14 C C 0.693 175.545 174.990 -0.229 0.000 1.297 14 C CA -1.295 57.442 59.018 -0.468 0.000 1.846 14 C CB 1.095 28.632 27.740 -0.339 0.000 2.198 14 C HN 0.249 nan 8.230 nan 0.000 0.507 15 L N 0.830 121.992 121.223 -0.102 0.000 3.011 15 L HA 0.574 4.913 4.340 -0.002 0.000 0.185 15 L C 1.163 178.064 176.870 0.053 0.000 1.457 15 L CA 0.023 54.911 54.840 0.081 0.000 1.482 15 L CB 0.391 42.512 42.059 0.105 0.000 2.432 15 L HN 1.014 nan 8.230 nan 0.000 0.546 16 T N -3.788 110.813 114.554 0.078 0.000 2.932 16 T HA 0.348 4.698 4.350 -0.002 0.000 0.289 16 T C 0.673 175.452 174.700 0.132 0.000 1.039 16 T CA -0.812 61.349 62.100 0.103 0.000 1.024 16 T CB 1.624 70.531 68.868 0.065 0.000 1.090 16 T HN 0.342 nan 8.240 nan 0.000 0.496 17 R N 0.080 120.678 120.500 0.163 0.000 2.211 17 R HA -0.119 4.220 4.340 -0.002 0.000 0.240 17 R C 2.295 178.637 176.300 0.070 0.000 1.144 17 R CA 1.358 57.541 56.100 0.138 0.000 0.992 17 R CB -0.120 30.201 30.300 0.034 0.000 0.869 17 R HN 0.596 nan 8.270 nan 0.000 0.462 18 Q N 0.365 120.196 119.800 0.052 0.000 2.013 18 Q HA -0.087 4.252 4.340 -0.002 0.000 0.195 18 Q C 1.964 177.987 176.000 0.037 0.000 0.974 18 Q CA 0.923 56.745 55.803 0.032 0.000 0.826 18 Q CB -0.343 28.408 28.738 0.021 0.000 0.895 18 Q HN -0.055 nan 8.270 nan 0.000 0.448 19 K N 1.377 121.803 120.400 0.044 0.000 2.113 19 K HA -0.146 4.173 4.320 -0.002 0.000 0.208 19 K C 1.923 178.556 176.600 0.056 0.000 1.047 19 K CA 0.835 57.150 56.287 0.047 0.000 0.928 19 K CB -0.616 31.916 32.500 0.052 0.000 0.716 19 K HN 0.119 nan 8.250 nan 0.000 0.446 20 L N -0.036 121.224 121.223 0.062 0.000 2.240 20 L HA 0.109 4.448 4.340 -0.002 0.000 0.211 20 L C 1.907 178.802 176.870 0.043 0.000 1.106 20 L CA 1.268 56.142 54.840 0.057 0.000 0.793 20 L CB -0.210 41.880 42.059 0.050 0.000 0.927 20 L HN 0.187 nan 8.230 nan 0.000 0.446 21 M N -1.145 118.478 119.600 0.038 0.000 2.460 21 M HA -0.125 4.354 4.480 -0.002 0.000 0.263 21 M C 1.689 178.000 176.300 0.019 0.000 1.071 21 M CA 1.148 56.460 55.300 0.020 0.000 1.096 21 M CB -0.168 32.439 32.600 0.013 0.000 1.408 21 M HN 0.355 nan 8.290 nan 0.000 0.463 22 E N 0.483 120.700 120.200 0.029 0.000 2.030 22 E HA -0.045 4.304 4.350 -0.002 0.000 0.189 22 E C 2.199 178.823 176.600 0.041 0.000 0.974 22 E CA 0.978 57.397 56.400 0.030 0.000 0.807 22 E CB -0.158 29.560 29.700 0.031 0.000 0.771 22 E HN 0.439 nan 8.360 nan 0.000 0.451 23 A N 1.498 124.351 122.820 0.055 0.000 1.892 23 A HA -0.217 4.102 4.320 -0.002 0.000 0.218 23 A C 2.412 180.031 177.584 0.059 0.000 1.188 23 A CA 2.299 54.380 52.037 0.073 0.000 0.631 23 A CB -1.214 17.844 19.000 0.096 0.000 0.822 23 A HN 0.227 nan 8.150 nan 0.000 0.447 24 T N 0.097 114.673 114.554 0.036 0.000 2.929 24 T HA -0.092 4.257 4.350 -0.002 0.000 0.271 24 T C 2.012 176.711 174.700 -0.001 0.000 1.085 24 T CA 1.680 63.784 62.100 0.008 0.000 1.125 24 T CB -0.305 68.555 68.868 -0.013 0.000 0.874 24 T HN 0.774 nan 8.240 nan 0.000 0.494 25 S N 0.411 116.118 115.700 0.012 0.000 2.524 25 S HA 0.209 4.678 4.470 -0.002 0.000 0.216 25 S C 0.728 175.346 174.600 0.031 0.000 0.987 25 S CA -0.490 57.717 58.200 0.012 0.000 0.909 25 S CB -0.545 62.659 63.200 0.007 0.000 0.781 25 S HN 0.441 nan 8.310 nan 0.000 0.521 26 I N 3.252 123.851 120.570 0.049 0.000 2.710 26 I HA 0.139 4.308 4.170 -0.002 0.000 0.286 26 I C -1.802 174.378 176.117 0.104 0.000 1.181 26 I CA -1.702 59.639 61.300 0.068 0.000 1.430 26 I CB -0.157 37.891 38.000 0.080 0.000 1.367 26 I HN 0.132 nan 8.210 nan 0.000 0.577 27 P HA 0.010 nan 4.420 nan 0.000 0.275 27 P C -0.891 176.542 177.300 0.223 0.000 1.239 27 P CA 0.409 63.571 63.100 0.103 0.000 0.820 27 P CB 0.376 32.098 31.700 0.037 0.000 0.909 28 F N -0.652 119.278 119.950 -0.034 0.000 2.765 28 F HA 0.280 4.806 4.527 -0.001 0.000 0.313 28 F C -1.688 174.092 175.800 -0.033 0.000 1.136 28 F CA -0.578 57.397 58.000 -0.043 0.000 0.952 28 F CB 1.719 40.697 39.000 -0.035 0.000 1.268 28 F HN 0.172 nan 8.300 nan 0.000 0.441 29 D N 2.043 122.316 120.400 -0.211 0.000 2.319 29 D HA 0.262 4.901 4.640 -0.002 0.000 0.237 29 D C 0.439 176.693 176.300 -0.078 0.000 1.353 29 D CA 0.036 53.994 54.000 -0.069 0.000 0.992 29 D CB 1.438 42.167 40.800 -0.118 0.000 1.368 29 D HN 0.779 nan 8.370 nan 0.000 0.564 30 G N 2.500 111.377 108.800 0.128 0.000 2.959 30 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.203 30 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.203 30 G C 0.979 175.899 174.900 0.033 0.000 1.176 30 G CA 0.464 45.648 45.100 0.141 0.000 0.860 30 G HN 0.424 nan 8.290 nan 0.000 0.507 31 K N -1.193 119.192 120.400 -0.026 0.000 2.511 31 K HA 0.165 4.484 4.320 -0.002 0.000 0.206 31 K C 1.688 178.241 176.600 -0.078 0.000 1.333 31 K CA -0.173 56.092 56.287 -0.037 0.000 0.957 31 K CB 0.365 32.853 32.500 -0.020 0.000 1.172 31 K HN -0.070 nan 8.250 nan 0.000 0.547 32 K N 0.578 120.903 120.400 -0.125 0.000 2.286 32 K HA 0.174 4.493 4.320 -0.002 0.000 0.203 32 K C 0.298 176.752 176.600 -0.244 0.000 1.078 32 K CA 0.448 56.640 56.287 -0.157 0.000 0.957 32 K CB 0.022 32.434 32.500 -0.147 0.000 1.018 32 K HN 0.002 nan 8.250 nan 0.000 0.484 33 N N 1.653 120.102 118.700 -0.418 0.000 2.458 33 N HA 0.094 4.833 4.740 -0.002 0.000 0.270 33 N C 0.350 175.575 175.510 -0.475 0.000 1.102 33 N CA -0.097 52.600 53.050 -0.589 0.000 0.967 33 N CB 0.814 38.599 38.487 -1.170 0.000 1.078 33 N HN 0.288 nan 8.380 nan 0.000 0.471 34 C N -0.055 119.023 119.300 -0.369 0.000 3.275 34 C HA 0.674 5.133 4.460 -0.002 0.000 0.373 34 C C -1.315 173.554 174.990 -0.202 0.000 1.934 34 C CA -1.288 57.566 59.018 -0.273 0.000 1.228 34 C CB 0.783 28.459 27.740 -0.108 0.000 2.317 34 C HN 0.717 nan 8.230 nan 0.000 0.437 35 W N 0.895 122.176 121.300 -0.030 0.000 2.702 35 W HA 0.663 5.322 4.660 -0.002 0.000 0.331 35 W C -0.252 176.311 176.519 0.074 0.000 1.049 35 W CA -0.666 56.689 57.345 0.016 0.000 1.230 35 W CB 2.224 31.671 29.460 -0.023 0.000 1.408 35 W HN 0.845 nan 8.180 nan 0.000 0.492 36 V N 0.846 121.035 119.914 0.457 0.000 3.102 36 V HA 0.698 4.817 4.120 -0.002 0.000 0.312 36 V C -2.700 173.582 176.094 0.314 0.000 1.135 36 V CA -3.137 59.345 62.300 0.304 0.000 1.022 36 V CB 1.816 33.745 31.823 0.176 0.000 1.056 36 V HN 0.283 nan 8.190 nan 0.000 0.436 37 P HA 0.420 nan 4.420 nan 0.000 0.281 37 P C -1.454 175.749 177.300 -0.161 0.000 1.249 37 P CA 0.411 63.413 63.100 -0.164 0.000 0.810 37 P CB 1.311 32.960 31.700 -0.084 0.000 1.008 38 D N 1.731 121.958 120.400 -0.289 0.000 2.623 38 D HA 0.229 4.868 4.640 -0.002 0.000 0.241 38 D C -2.543 173.659 176.300 -0.163 0.000 1.241 38 D CA -1.833 52.094 54.000 -0.121 0.000 0.788 38 D CB 1.438 42.259 40.800 0.036 0.000 1.413 38 D HN -0.049 nan 8.370 nan 0.000 0.429 39 P HA 0.199 nan 4.420 nan 0.000 0.231 39 P C -0.316 176.841 177.300 -0.237 0.000 1.168 39 P CA 0.866 63.879 63.100 -0.144 0.000 0.779 39 P CB 0.419 32.062 31.700 -0.095 0.000 0.844 40 D N -3.159 117.038 120.400 -0.338 0.000 2.520 40 D HA 0.201 4.841 4.640 -0.002 0.000 0.223 40 D C -0.118 175.372 176.300 -1.351 0.000 1.186 40 D CA 0.164 53.653 54.000 -0.853 0.000 0.821 40 D CB 0.248 40.382 40.800 -1.110 0.000 1.072 40 D HN 0.123 nan 8.370 nan 0.000 0.518 41 F N -1.198 118.705 119.950 -0.079 0.000 2.895 41 F HA 0.328 4.854 4.527 -0.002 0.000 0.334 41 F C 1.755 177.492 175.800 -0.106 0.000 1.252 41 F CA -0.418 57.552 58.000 -0.049 0.000 1.056 41 F CB 0.480 39.475 39.000 -0.008 0.000 1.311 41 F HN -0.022 nan 8.300 nan 0.000 0.506 42 G N 1.278 109.987 108.800 -0.152 0.000 3.403 42 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.226 42 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.226 42 G C 0.099 174.397 174.900 -1.003 0.000 1.312 42 G CA 1.491 46.285 45.100 -0.510 0.000 1.060 42 G HN 0.277 nan 8.290 nan 0.000 0.574 43 F N -1.248 118.706 119.950 0.006 0.000 2.626 43 F HA 0.795 5.321 4.527 -0.001 0.000 0.311 43 F C 0.001 175.785 175.800 -0.026 0.000 1.088 43 F CA -0.994 56.975 58.000 -0.052 0.000 0.949 43 F CB 2.338 41.193 39.000 -0.241 0.000 1.322 43 F HN 0.175 nan 8.300 nan 0.000 0.461 44 V N 0.212 120.258 119.914 0.221 0.000 3.147 44 V HA 0.741 4.860 4.120 -0.002 0.000 0.306 44 V C -0.065 176.310 176.094 0.468 0.000 1.209 44 V CA -1.070 61.373 62.300 0.238 0.000 1.023 44 V CB 2.264 34.164 31.823 0.129 0.000 1.059 44 V HN 0.996 nan 8.190 nan 0.000 0.435 45 G N 0.851 109.969 108.800 0.531 0.000 2.544 45 G HA2 0.655 4.615 3.960 -0.002 0.000 0.242 45 G HA3 0.655 4.615 3.960 -0.002 0.000 0.242 45 G C -0.322 174.649 174.900 0.118 0.000 1.247 45 G CA 0.562 45.870 45.100 0.346 0.000 0.840 45 G HN 1.419 nan 8.290 nan 0.000 0.578 46 A N 1.083 123.895 122.820 -0.013 0.000 2.606 46 A HA 0.766 5.085 4.320 -0.002 0.000 0.293 46 A C -0.827 176.682 177.584 -0.125 0.000 1.082 46 A CA -0.756 51.257 52.037 -0.040 0.000 0.685 46 A CB 1.531 20.541 19.000 0.016 0.000 1.284 46 A HN 0.601 nan 8.150 nan 0.000 0.408 47 E N 1.177 121.318 120.200 -0.099 0.000 2.216 47 E HA 0.418 4.767 4.350 -0.002 0.000 0.260 47 E C -1.079 175.473 176.600 -0.081 0.000 0.880 47 E CA -0.461 55.866 56.400 -0.121 0.000 0.765 47 E CB 1.848 31.482 29.700 -0.109 0.000 1.174 47 E HN 0.566 nan 8.360 nan 0.000 0.417 48 I N 3.441 123.961 120.570 -0.083 0.000 2.598 48 I HA -0.097 4.072 4.170 -0.002 0.000 0.284 48 I C 1.298 177.388 176.117 -0.045 0.000 1.140 48 I CA 0.053 61.321 61.300 -0.054 0.000 1.420 48 I CB 0.381 38.350 38.000 -0.053 0.000 1.387 48 I HN 0.470 nan 8.210 nan 0.000 0.553 49 Q N 3.647 123.428 119.800 -0.032 0.000 2.263 49 Q HA 0.215 4.554 4.340 -0.002 0.000 0.196 49 Q C 0.293 176.281 176.000 -0.021 0.000 0.965 49 Q CA 0.805 56.592 55.803 -0.027 0.000 0.851 49 Q CB 0.229 28.954 28.738 -0.022 0.000 0.948 49 Q HN 0.699 nan 8.270 nan 0.000 0.516 50 S N -0.123 115.567 115.700 -0.017 0.000 2.634 50 S HA 0.710 5.179 4.470 -0.002 0.000 0.296 50 S C -0.730 173.864 174.600 -0.011 0.000 1.104 50 S CA -0.614 57.578 58.200 -0.013 0.000 0.920 50 S CB 2.309 65.503 63.200 -0.010 0.000 1.111 50 S HN 0.025 nan 8.310 nan 0.000 0.493 51 T N 2.238 116.786 114.554 -0.009 0.000 2.991 51 T HA 0.493 4.842 4.350 -0.002 0.000 0.303 51 T C -1.218 173.480 174.700 -0.004 0.000 1.015 51 T CA -0.944 61.152 62.100 -0.007 0.000 1.007 51 T CB 1.083 69.946 68.868 -0.008 0.000 1.034 51 T HN 0.623 nan 8.240 nan 0.000 0.446 52 K N 1.643 122.041 120.400 -0.003 0.000 3.262 52 K HA 0.616 4.935 4.320 -0.002 0.000 0.166 52 K C 0.927 177.527 176.600 0.000 0.000 1.091 52 K CA -0.725 55.562 56.287 -0.001 0.000 0.798 52 K CB 0.845 33.344 32.500 -0.001 0.000 0.953 52 K HN 0.809 nan 8.250 nan 0.000 0.588 53 G N 1.366 110.166 108.800 0.001 0.000 4.391 53 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.210 53 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.210 53 G C 0.297 175.198 174.900 0.002 0.000 1.547 53 G CA 0.537 45.638 45.100 0.002 0.000 1.103 53 G HN 0.407 nan 8.290 nan 0.000 0.637 54 D N 0.380 120.782 120.400 0.003 0.000 2.218 54 D HA 0.190 4.829 4.640 -0.002 0.000 0.307 54 D C 0.639 176.941 176.300 0.003 0.000 1.086 54 D CA 0.224 54.226 54.000 0.004 0.000 0.886 54 D CB 0.093 40.896 40.800 0.005 0.000 1.645 54 D HN 0.379 nan 8.370 nan 0.000 0.523 55 E N 1.594 121.795 120.200 0.002 0.000 2.214 55 E HA 0.097 4.447 4.350 -0.002 0.000 0.291 55 E C -0.606 175.994 176.600 -0.000 0.000 1.137 55 E CA 0.089 56.490 56.400 0.001 0.000 1.175 55 E CB -0.038 29.663 29.700 0.001 0.000 1.071 55 E HN -0.092 nan 8.360 nan 0.000 0.467 56 V N 2.768 122.682 119.914 0.001 0.000 2.432 56 V HA 0.112 4.231 4.120 -0.002 0.000 0.271 56 V C 0.435 176.529 176.094 -0.001 0.000 1.046 56 V CA -0.283 62.016 62.300 -0.002 0.000 0.945 56 V CB 1.625 33.447 31.823 -0.002 0.000 0.992 56 V HN 0.388 nan 8.190 nan 0.000 0.471 57 T N 5.453 120.005 114.554 -0.005 0.000 2.781 57 T HA 0.437 4.786 4.350 -0.002 0.000 0.305 57 T C -0.219 174.476 174.700 -0.008 0.000 1.001 57 T CA -0.262 61.835 62.100 -0.004 0.000 0.950 57 T CB 0.920 69.785 68.868 -0.006 0.000 0.955 57 T HN 0.652 nan 8.240 nan 0.000 0.471 58 V N 1.799 121.711 119.914 -0.003 0.000 2.513 58 V HA 0.671 4.790 4.120 -0.002 0.000 0.299 58 V C -0.241 175.850 176.094 -0.005 0.000 1.035 58 V CA -1.167 61.129 62.300 -0.006 0.000 0.889 58 V CB 1.637 33.461 31.823 0.002 0.000 0.988 58 V HN 0.735 nan 8.190 nan 0.000 0.440 59 K N 4.039 124.431 120.400 -0.014 0.000 2.234 59 K HA 0.473 4.792 4.320 -0.002 0.000 0.277 59 K C 0.608 177.202 176.600 -0.011 0.000 1.038 59 K CA -0.009 56.271 56.287 -0.012 0.000 0.888 59 K CB 1.219 33.708 32.500 -0.019 0.000 1.091 59 K HN 1.125 nan 8.250 nan 0.000 0.467 60 T N 1.069 115.625 114.554 0.003 0.000 2.619 60 T HA 0.008 4.357 4.350 -0.002 0.000 0.330 60 T C 0.642 175.341 174.700 -0.002 0.000 1.037 60 T CA -0.090 62.018 62.100 0.013 0.000 1.005 60 T CB 0.466 69.350 68.868 0.027 0.000 1.084 60 T HN 0.532 nan 8.240 nan 0.000 0.521 61 D N -0.002 120.403 120.400 0.009 0.000 2.162 61 D HA 0.148 4.787 4.640 -0.002 0.000 0.252 61 D C 2.227 178.521 176.300 -0.009 0.000 1.095 61 D CA 0.661 54.658 54.000 -0.005 0.000 0.928 61 D CB -0.342 40.464 40.800 0.010 0.000 0.989 61 D HN 0.630 nan 8.370 nan 0.000 0.401 62 K N 0.204 120.596 120.400 -0.013 0.000 1.990 62 K HA -0.182 4.137 4.320 -0.002 0.000 0.225 62 K C 2.155 178.741 176.600 -0.024 0.000 1.053 62 K CA 2.060 58.331 56.287 -0.027 0.000 0.982 62 K CB -0.833 31.633 32.500 -0.058 0.000 0.734 62 K HN 0.083 nan 8.250 nan 0.000 0.448 63 T N 0.468 115.005 114.554 -0.027 0.000 2.594 63 T HA -0.239 4.110 4.350 -0.002 0.000 0.266 63 T C 0.556 175.253 174.700 -0.006 0.000 1.070 63 T CA 1.939 64.031 62.100 -0.013 0.000 1.166 63 T CB -0.147 68.720 68.868 -0.001 0.000 0.862 63 T HN 0.306 nan 8.240 nan 0.000 0.436 64 Q N -0.591 119.206 119.800 -0.006 0.000 2.452 64 Q HA -0.084 4.255 4.340 -0.002 0.000 0.254 64 Q C -0.268 175.731 176.000 -0.002 0.000 0.752 64 Q CA 0.499 56.299 55.803 -0.006 0.000 1.215 64 Q CB -1.447 27.287 28.738 -0.006 0.000 1.200 64 Q HN 0.642 nan 8.270 nan 0.000 0.757 65 E N 0.206 120.407 120.200 0.003 0.000 2.330 65 E HA 0.643 4.992 4.350 -0.002 0.000 0.256 65 E C -0.414 176.189 176.600 0.004 0.000 1.146 65 E CA 0.091 56.494 56.400 0.006 0.000 0.945 65 E CB 1.093 30.800 29.700 0.012 0.000 1.182 65 E HN 0.053 nan 8.360 nan 0.000 0.480 66 T N 1.241 115.797 114.554 0.004 0.000 3.103 66 T HA 0.478 4.827 4.350 -0.002 0.000 0.352 66 T C -0.730 173.973 174.700 0.005 0.000 1.048 66 T CA -0.569 61.533 62.100 0.003 0.000 1.175 66 T CB -0.109 68.759 68.868 -0.001 0.000 1.029 66 T HN 0.421 nan 8.240 nan 0.000 0.498 67 R N 1.815 122.321 120.500 0.009 0.000 2.527 67 R HA 0.821 5.160 4.340 -0.002 0.000 0.236 67 R C -0.522 175.783 176.300 0.007 0.000 1.257 67 R CA -0.938 55.168 56.100 0.009 0.000 1.088 67 R CB 0.764 31.073 30.300 0.015 0.000 1.396 67 R HN 0.331 nan 8.270 nan 0.000 0.571 68 V N 1.482 121.401 119.914 0.008 0.000 2.791 68 V HA 0.117 4.237 4.120 -0.002 0.000 0.258 68 V C -0.702 175.397 176.094 0.008 0.000 0.875 68 V CA -0.582 61.722 62.300 0.006 0.000 0.922 68 V CB 1.253 33.078 31.823 0.003 0.000 1.034 68 V HN 0.406 nan 8.190 nan 0.000 0.492 69 V N 2.799 122.721 119.914 0.014 0.000 2.924 69 V HA 0.271 4.390 4.120 -0.002 0.000 0.305 69 V C 0.914 177.017 176.094 0.015 0.000 1.073 69 V CA -0.431 61.880 62.300 0.017 0.000 1.098 69 V CB 1.077 32.918 31.823 0.030 0.000 1.000 69 V HN 0.692 nan 8.190 nan 0.000 0.484 70 K N 2.143 122.551 120.400 0.015 0.000 2.156 70 K HA 0.128 4.447 4.320 -0.002 0.000 0.242 70 K C 1.259 177.869 176.600 0.016 0.000 1.033 70 K CA -0.410 55.885 56.287 0.013 0.000 0.878 70 K CB 0.534 33.041 32.500 0.012 0.000 1.057 70 K HN 0.550 nan 8.250 nan 0.000 0.505 71 K N 1.162 121.569 120.400 0.012 0.000 1.991 71 K HA -0.235 4.084 4.320 -0.002 0.000 0.212 71 K C 1.223 177.832 176.600 0.016 0.000 1.049 71 K CA 2.196 58.489 56.287 0.010 0.000 0.932 71 K CB -0.186 32.317 32.500 0.005 0.000 0.717 71 K HN 0.458 nan 8.250 nan 0.000 0.441 72 D N 0.944 121.354 120.400 0.018 0.000 2.322 72 D HA -0.139 4.500 4.640 -0.002 0.000 0.210 72 D C 0.384 176.709 176.300 0.041 0.000 0.983 72 D CA 1.085 55.099 54.000 0.023 0.000 0.902 72 D CB -0.054 40.760 40.800 0.022 0.000 0.905 72 D HN 0.277 nan 8.370 nan 0.000 0.483 73 D N -0.271 120.160 120.400 0.051 0.000 2.395 73 D HA 0.097 4.736 4.640 -0.002 0.000 0.226 73 D C 0.118 176.480 176.300 0.104 0.000 1.146 73 D CA -0.053 53.999 54.000 0.085 0.000 0.830 73 D CB 0.312 41.156 40.800 0.074 0.000 0.958 73 D HN 0.285 nan 8.370 nan 0.000 0.501 74 I N 1.379 121.992 120.570 0.071 0.000 2.347 74 I HA 0.234 4.403 4.170 -0.002 0.000 0.283 74 I C 1.050 177.201 176.117 0.057 0.000 1.058 74 I CA -0.543 60.796 61.300 0.065 0.000 1.202 74 I CB 1.368 39.381 38.000 0.022 0.000 1.386 74 I HN -0.175 nan 8.210 nan 0.000 0.475 75 G N 4.797 113.671 108.800 0.124 0.000 2.476 75 G HA2 0.345 4.304 3.960 -0.002 0.000 0.269 75 G HA3 0.345 4.304 3.960 -0.002 0.000 0.269 75 G C -0.422 174.504 174.900 0.044 0.000 1.195 75 G CA -0.385 44.779 45.100 0.107 0.000 0.843 75 G HN 0.551 nan 8.290 nan 0.000 0.545 76 Q N -0.071 119.667 119.800 -0.103 0.000 2.293 76 Q HA 0.340 4.680 4.340 -0.002 0.000 0.251 76 Q C 0.201 176.074 176.000 -0.212 0.000 0.930 76 Q CA -0.140 55.458 55.803 -0.341 0.000 0.893 76 Q CB 1.809 30.032 28.738 -0.858 0.000 1.215 76 Q HN 0.517 nan 8.270 nan 0.000 0.425 77 R N 1.595 121.973 120.500 -0.203 0.000 2.664 77 R HA 0.303 4.642 4.340 -0.002 0.000 0.286 77 R C -0.797 175.660 176.300 0.261 0.000 0.967 77 R CA -0.755 55.237 56.100 -0.181 0.000 0.933 77 R CB 0.974 30.934 30.300 -0.567 0.000 1.146 77 R HN 0.584 nan 8.270 nan 0.000 0.468 78 N N 3.607 122.353 118.700 0.075 0.000 2.530 78 N HA 0.248 4.987 4.740 -0.002 0.000 0.273 78 N C -2.377 172.882 175.510 -0.419 0.000 1.173 78 N CA -1.421 51.497 53.050 -0.221 0.000 0.967 78 N CB 0.850 39.065 38.487 -0.454 0.000 1.109 78 N HN 0.403 nan 8.380 nan 0.000 0.453 79 P HA 0.200 nan 4.420 nan 0.000 0.274 79 P C -1.915 175.242 177.300 -0.239 0.000 1.231 79 P CA -1.253 61.422 63.100 -0.707 0.000 0.790 79 P CB 0.431 31.909 31.700 -0.369 0.000 0.951 80 P HA -0.257 nan 4.420 nan 0.000 0.221 80 P C 1.560 178.843 177.300 -0.028 0.000 1.153 80 P CA 2.185 65.219 63.100 -0.111 0.000 0.858 80 P CB -0.170 31.472 31.700 -0.096 0.000 0.783 81 K N -0.894 119.459 120.400 -0.078 0.000 2.160 81 K HA -0.172 4.147 4.320 -0.002 0.000 0.206 81 K C 1.517 178.009 176.600 -0.181 0.000 1.047 81 K CA 1.531 57.694 56.287 -0.208 0.000 0.930 81 K CB -0.535 31.691 32.500 -0.456 0.000 0.720 81 K HN 0.111 nan 8.250 nan 0.000 0.450 82 F N 1.786 121.686 119.950 -0.084 0.000 2.615 82 F HA 0.104 4.630 4.527 -0.002 0.000 0.297 82 F C 0.608 176.425 175.800 0.029 0.000 1.124 82 F CA -0.038 57.944 58.000 -0.031 0.000 1.451 82 F CB 0.013 38.989 39.000 -0.039 0.000 1.103 82 F HN -0.152 nan 8.300 nan 0.000 0.569 83 E N 2.038 122.363 120.200 0.207 0.000 2.498 83 E HA -0.075 4.274 4.350 -0.002 0.000 0.252 83 E C 0.893 177.590 176.600 0.162 0.000 1.025 83 E CA 0.528 57.050 56.400 0.203 0.000 0.938 83 E CB 0.250 30.052 29.700 0.171 0.000 0.947 83 E HN 0.255 nan 8.360 nan 0.000 0.478 84 M N 0.331 120.036 119.600 0.175 0.000 3.029 84 M HA -0.220 4.259 4.480 -0.002 0.000 0.217 84 M C 0.103 176.472 176.300 0.115 0.000 0.568 84 M CA 0.066 55.450 55.300 0.141 0.000 0.828 84 M CB -2.102 30.571 32.600 0.122 0.000 2.950 84 M HN 0.517 nan 8.290 nan 0.000 0.309 85 N N 1.867 120.655 118.700 0.146 0.000 2.132 85 N HA -0.055 4.684 4.740 -0.002 0.000 0.280 85 N C 0.996 176.576 175.510 0.116 0.000 1.318 85 N CA 0.811 53.945 53.050 0.140 0.000 0.822 85 N CB 0.350 38.966 38.487 0.215 0.000 1.058 85 N HN 0.494 nan 8.380 nan 0.000 0.489 86 M N 0.652 120.305 119.600 0.089 0.000 2.319 86 M HA -0.074 4.405 4.480 -0.002 0.000 0.265 86 M C 0.271 176.692 176.300 0.203 0.000 1.068 86 M CA 1.028 56.393 55.300 0.108 0.000 1.118 86 M CB -0.024 32.626 32.600 0.084 0.000 1.395 86 M HN 0.454 nan 8.290 nan 0.000 0.435 87 D N 0.006 120.518 120.400 0.187 0.000 2.469 87 D HA 0.203 4.842 4.640 -0.002 0.000 0.251 87 D C 0.778 177.177 176.300 0.166 0.000 1.173 87 D CA -0.162 53.968 54.000 0.216 0.000 0.882 87 D CB 1.000 41.894 40.800 0.156 0.000 1.129 87 D HN 0.076 nan 8.370 nan 0.000 0.549 88 M N 2.064 121.760 119.600 0.160 0.000 2.324 88 M HA -0.251 4.228 4.480 -0.002 0.000 0.255 88 M C 1.646 178.011 176.300 0.109 0.000 1.088 88 M CA 1.551 56.922 55.300 0.120 0.000 1.048 88 M CB -0.258 32.392 32.600 0.082 0.000 1.383 88 M HN 0.486 nan 8.290 nan 0.000 0.418 89 A N -0.155 122.736 122.820 0.118 0.000 2.119 89 A HA -0.045 4.274 4.320 -0.002 0.000 0.216 89 A C 1.549 179.192 177.584 0.098 0.000 1.152 89 A CA 0.849 52.948 52.037 0.103 0.000 0.708 89 A CB -0.391 18.672 19.000 0.106 0.000 0.805 89 A HN 0.490 nan 8.150 nan 0.000 0.460 90 N N 0.329 119.104 118.700 0.125 0.000 2.383 90 N HA 0.103 4.842 4.740 -0.002 0.000 0.192 90 N C -0.214 175.459 175.510 0.273 0.000 1.141 90 N CA 0.179 53.327 53.050 0.163 0.000 0.851 90 N CB 0.045 38.618 38.487 0.144 0.000 0.976 90 N HN 0.430 nan 8.380 nan 0.000 0.465 91 L N 1.051 122.365 121.223 0.152 0.000 2.433 91 L HA 0.023 4.362 4.340 -0.002 0.000 0.275 91 L C 2.023 178.810 176.870 -0.139 0.000 1.128 91 L CA 0.045 54.864 54.840 -0.036 0.000 0.875 91 L CB 0.934 42.976 42.059 -0.028 0.000 1.171 91 L HN 0.023 nan 8.230 nan 0.000 0.463 92 T N 3.752 118.050 114.554 -0.426 0.000 2.746 92 T HA -0.075 4.274 4.350 -0.002 0.000 0.267 92 T C 0.620 175.161 174.700 -0.266 0.000 1.039 92 T CA 1.123 63.005 62.100 -0.365 0.000 1.142 92 T CB -0.078 68.421 68.868 -0.616 0.000 0.866 92 T HN 0.292 nan 8.240 nan 0.000 0.444 93 F N 1.595 121.408 119.950 -0.228 0.000 2.404 93 F HA 0.500 5.026 4.527 -0.001 0.000 0.354 93 F C -0.249 175.506 175.800 -0.076 0.000 1.122 93 F CA -1.289 56.639 58.000 -0.119 0.000 1.080 93 F CB 1.147 40.079 39.000 -0.114 0.000 1.131 93 F HN -0.034 nan 8.300 nan 0.000 0.471 94 L N 5.063 126.383 121.223 0.161 0.000 2.287 94 L HA 0.470 4.809 4.340 -0.002 0.000 0.287 94 L C -0.919 175.974 176.870 0.039 0.000 1.022 94 L CA -0.559 54.326 54.840 0.075 0.000 0.814 94 L CB 1.286 43.381 42.059 0.060 0.000 1.217 94 L HN 0.754 nan 8.230 nan 0.000 0.420 95 N N 0.237 118.933 118.700 -0.007 0.000 3.348 95 N HA 0.102 4.841 4.740 -0.002 0.000 0.233 95 N C -0.224 175.179 175.510 -0.179 0.000 1.440 95 N CA -0.892 52.108 53.050 -0.083 0.000 0.887 95 N CB 0.765 39.205 38.487 -0.078 0.000 1.410 95 N HN 0.345 nan 8.380 nan 0.000 0.502 96 E N -0.049 119.979 120.200 -0.285 0.000 2.072 96 E HA -0.138 4.212 4.350 -0.002 0.000 0.191 96 E C 1.728 177.956 176.600 -0.621 0.000 0.985 96 E CA 1.494 57.677 56.400 -0.363 0.000 0.801 96 E CB -0.302 29.211 29.700 -0.313 0.000 0.750 96 E HN 0.636 nan 8.360 nan 0.000 0.452 97 A N 1.507 123.682 122.820 -1.076 0.000 1.940 97 A HA -0.298 4.021 4.320 -0.002 0.000 0.221 97 A C 2.365 179.370 177.584 -0.967 0.000 1.190 97 A CA 2.308 53.515 52.037 -1.382 0.000 0.647 97 A CB -0.617 17.686 19.000 -1.161 0.000 0.821 97 A HN 0.182 nan 8.150 nan 0.000 0.457 98 S N -0.227 115.213 115.700 -0.433 0.000 2.325 98 S HA -0.037 4.432 4.470 -0.002 0.000 0.214 98 S C 1.823 176.420 174.600 -0.004 0.000 1.031 98 S CA 1.111 59.312 58.200 0.002 0.000 0.972 98 S CB -0.427 62.862 63.200 0.149 0.000 0.908 98 S HN 0.456 nan 8.310 nan 0.000 0.453 99 I N 1.985 122.516 120.570 -0.065 0.000 2.185 99 I HA -0.168 4.001 4.170 -0.002 0.000 0.246 99 I C 2.311 178.389 176.117 -0.066 0.000 1.088 99 I CA 1.161 62.427 61.300 -0.056 0.000 1.347 99 I CB -1.507 36.438 38.000 -0.091 0.000 1.041 99 I HN 0.247 nan 8.210 nan 0.000 0.415 100 L N 0.428 121.581 121.223 -0.117 0.000 2.027 100 L HA -0.212 4.127 4.340 -0.002 0.000 0.206 100 L C 2.680 179.517 176.870 -0.056 0.000 1.074 100 L CA 1.968 56.762 54.840 -0.077 0.000 0.745 100 L CB -1.148 40.873 42.059 -0.063 0.000 0.898 100 L HN 0.255 nan 8.230 nan 0.000 0.433 101 H N -0.245 118.740 119.070 -0.142 0.000 2.267 101 H HA -0.194 4.361 4.556 -0.002 0.000 0.297 101 H C 2.205 177.585 175.328 0.087 0.000 1.080 101 H CA 2.153 58.182 56.048 -0.031 0.000 1.278 101 H CB -0.334 29.438 29.762 0.017 0.000 1.365 101 H HN 0.395 nan 8.280 nan 0.000 0.489 102 N N 0.243 118.944 118.700 0.002 0.000 2.247 102 N HA -0.163 4.577 4.740 -0.002 0.000 0.189 102 N C 1.946 177.447 175.510 -0.016 0.000 1.009 102 N CA 1.357 54.423 53.050 0.028 0.000 0.872 102 N CB -0.323 38.222 38.487 0.098 0.000 0.980 102 N HN 0.483 nan 8.380 nan 0.000 0.436 103 L N 0.288 121.491 121.223 -0.032 0.000 2.084 103 L HA -0.049 4.290 4.340 -0.002 0.000 0.202 103 L C 2.587 179.484 176.870 0.044 0.000 1.074 103 L CA 0.937 55.779 54.840 0.003 0.000 0.757 103 L CB -0.250 41.796 42.059 -0.022 0.000 0.918 103 L HN 0.254 nan 8.230 nan 0.000 0.444 104 R N -0.219 120.287 120.500 0.010 0.000 2.093 104 R HA -0.062 4.277 4.340 -0.002 0.000 0.224 104 R C 2.360 178.689 176.300 0.048 0.000 1.101 104 R CA 1.260 57.422 56.100 0.104 0.000 0.979 104 R CB -0.910 29.449 30.300 0.098 0.000 0.877 104 R HN 0.307 nan 8.270 nan 0.000 0.441 105 S N 1.630 117.273 115.700 -0.096 0.000 2.369 105 S HA -0.253 4.216 4.470 -0.002 0.000 0.225 105 S C 2.172 176.770 174.600 -0.002 0.000 1.043 105 S CA 1.331 59.471 58.200 -0.101 0.000 1.074 105 S CB -0.551 62.489 63.200 -0.267 0.000 0.962 105 S HN 0.369 nan 8.310 nan 0.000 0.433 106 R N -0.559 119.982 120.500 0.069 0.000 2.073 106 R HA -0.063 4.277 4.340 -0.002 0.000 0.234 106 R C 2.414 178.792 176.300 0.130 0.000 1.134 106 R CA 1.617 57.850 56.100 0.222 0.000 0.952 106 R CB -0.636 29.812 30.300 0.246 0.000 0.850 106 R HN 0.563 nan 8.270 nan 0.000 0.433 107 Y N 1.918 122.219 120.300 0.001 0.000 2.165 107 Y HA -0.192 4.357 4.550 -0.002 0.000 0.286 107 Y C 1.012 176.859 175.900 -0.089 0.000 1.155 107 Y CA 1.609 59.691 58.100 -0.031 0.000 1.164 107 Y CB -0.034 38.412 38.460 -0.023 0.000 0.978 107 Y HN 0.087 nan 8.280 nan 0.000 0.513 108 E N -0.948 119.113 120.200 -0.232 0.000 2.320 108 E HA 0.054 4.404 4.350 -0.002 0.000 0.189 108 E C 0.901 177.302 176.600 -0.332 0.000 1.100 108 E CA 0.436 56.667 56.400 -0.282 0.000 1.009 108 E CB 0.018 29.656 29.700 -0.103 0.000 1.145 108 E HN 0.270 nan 8.360 nan 0.000 0.454 109 S N -1.097 114.292 115.700 -0.518 0.000 2.687 109 S HA 0.243 4.712 4.470 -0.002 0.000 0.247 109 S C 1.179 175.150 174.600 -1.050 0.000 1.050 109 S CA 0.125 57.871 58.200 -0.756 0.000 1.063 109 S CB 1.557 64.212 63.200 -0.909 0.000 1.039 109 S HN 0.441 nan 8.310 nan 0.000 0.580 110 G N 1.611 109.961 108.800 -0.749 0.000 2.184 110 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.206 110 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.206 110 G C -0.074 174.815 174.900 -0.018 0.000 0.995 110 G CA -0.709 44.193 45.100 -0.330 0.000 0.651 110 G HN 0.493 nan 8.290 nan 0.000 0.511 111 F N 2.289 122.242 119.950 0.006 0.000 2.406 111 F HA 0.429 4.955 4.527 -0.001 0.000 0.358 111 F C 2.051 177.892 175.800 0.068 0.000 1.161 111 F CA -0.714 57.313 58.000 0.045 0.000 1.185 111 F CB 0.218 39.239 39.000 0.034 0.000 1.421 111 F HN 0.219 nan 8.300 nan 0.000 0.576 112 I N -0.147 120.526 120.570 0.172 0.000 2.206 112 I HA -0.059 4.110 4.170 -0.002 0.000 0.239 112 I C 0.481 176.562 176.117 -0.061 0.000 1.078 112 I CA 0.550 61.874 61.300 0.039 0.000 1.367 112 I CB -0.490 37.380 38.000 -0.216 0.000 1.078 112 I HN 0.187 nan 8.210 nan 0.000 0.413 113 Y N 2.326 122.620 120.300 -0.010 0.000 2.597 113 Y HA 0.268 4.817 4.550 -0.001 0.000 0.336 113 Y C 0.031 175.856 175.900 -0.124 0.000 1.216 113 Y CA 0.318 58.350 58.100 -0.114 0.000 1.463 113 Y CB 0.622 38.941 38.460 -0.234 0.000 1.303 113 Y HN 0.159 nan 8.280 nan 0.000 0.576 114 T N 2.549 117.110 114.554 0.012 0.000 3.933 114 T HA 0.189 4.538 4.350 -0.002 0.000 0.379 114 T C -1.298 173.411 174.700 0.015 0.000 1.232 114 T CA -1.094 60.981 62.100 -0.041 0.000 1.122 114 T CB 0.061 68.961 68.868 0.053 0.000 1.239 114 T HN 0.347 nan 8.240 nan 0.000 0.475 115 Y N 1.355 121.724 120.300 0.116 0.000 2.314 115 Y HA 0.538 5.088 4.550 -0.001 0.000 0.334 115 Y C 1.185 177.149 175.900 0.106 0.000 1.266 115 Y CA -0.400 57.774 58.100 0.124 0.000 1.391 115 Y CB 0.866 39.399 38.460 0.122 0.000 1.306 115 Y HN 0.563 nan 8.280 nan 0.000 0.558 116 S N 1.277 117.170 115.700 0.323 0.000 2.387 116 S HA 0.512 4.981 4.470 -0.002 0.000 0.211 116 S C -0.126 174.660 174.600 0.309 0.000 1.055 116 S CA -0.106 58.219 58.200 0.209 0.000 1.133 116 S CB -0.230 63.003 63.200 0.056 0.000 1.235 116 S HN 1.538 nan 8.310 nan 0.000 0.425 117 G N 3.849 112.797 108.800 0.246 0.000 2.582 117 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.288 117 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.288 117 G C 0.760 175.834 174.900 0.291 0.000 1.247 117 G CA 0.270 45.519 45.100 0.247 0.000 0.972 117 G HN 1.184 nan 8.290 nan 0.000 0.557 118 L N 0.103 121.490 121.223 0.274 0.000 2.129 118 L HA 0.053 4.392 4.340 -0.002 0.000 0.212 118 L C 1.346 178.398 176.870 0.304 0.000 1.087 118 L CA 1.166 56.127 54.840 0.201 0.000 0.757 118 L CB -0.391 41.696 42.059 0.047 0.000 0.896 118 L HN 0.331 nan 8.230 nan 0.000 0.434 119 F N -1.502 118.590 119.950 0.237 0.000 2.375 119 F HA 0.259 4.786 4.527 -0.001 0.000 0.333 119 F C 0.469 176.422 175.800 0.255 0.000 1.104 119 F CA -1.527 56.610 58.000 0.228 0.000 1.149 119 F CB 0.264 39.323 39.000 0.099 0.000 1.190 119 F HN -0.227 nan 8.300 nan 0.000 0.533 120 C N 6.072 125.653 119.300 0.468 0.000 2.271 120 C HA 0.671 5.130 4.460 -0.002 0.000 0.323 120 C C -0.029 175.092 174.990 0.219 0.000 1.245 120 C CA -0.949 58.276 59.018 0.345 0.000 1.548 120 C CB -1.485 26.430 27.740 0.291 0.000 2.214 120 C HN 0.701 nan 8.230 nan 0.000 0.477 121 I N 5.388 126.046 120.570 0.147 0.000 2.519 121 I HA 0.506 4.675 4.170 -0.002 0.000 0.287 121 I C 0.806 176.980 176.117 0.094 0.000 1.047 121 I CA 0.153 61.502 61.300 0.081 0.000 1.381 121 I CB 1.088 39.098 38.000 0.017 0.000 1.417 121 I HN 0.864 nan 8.210 nan 0.000 0.540 122 A N 7.335 130.181 122.820 0.042 0.000 2.423 122 A HA 0.913 5.232 4.320 -0.002 0.000 0.304 122 A C -0.782 176.723 177.584 -0.132 0.000 1.104 122 A CA -0.548 51.470 52.037 -0.031 0.000 0.757 122 A CB 1.641 20.655 19.000 0.024 0.000 1.313 122 A HN 0.645 nan 8.150 nan 0.000 0.423 123 I N 1.227 121.669 120.570 -0.214 0.000 2.586 123 I HA 0.174 4.343 4.170 -0.002 0.000 0.288 123 I C -0.220 175.750 176.117 -0.244 0.000 1.147 123 I CA -0.485 60.656 61.300 -0.266 0.000 1.047 123 I CB 2.074 39.816 38.000 -0.429 0.000 1.244 123 I HN 0.897 nan 8.210 nan 0.000 0.429 124 N N 8.511 127.041 118.700 -0.284 0.000 2.347 124 N HA -0.011 4.728 4.740 -0.002 0.000 0.278 124 N C -1.441 173.965 175.510 -0.174 0.000 1.367 124 N CA -0.845 51.997 53.050 -0.347 0.000 0.898 124 N CB 0.941 39.036 38.487 -0.654 0.000 1.203 124 N HN 0.342 nan 8.380 nan 0.000 0.491 125 P HA -0.206 nan 4.420 nan 0.000 0.213 125 P C -0.553 176.868 177.300 0.203 0.000 1.170 125 P CA 1.391 64.557 63.100 0.110 0.000 0.902 125 P CB -0.072 31.631 31.700 0.005 0.000 0.789 126 Y N -0.498 119.820 120.300 0.030 0.000 2.997 126 Y HA -0.219 4.330 4.550 -0.001 0.000 0.116 126 Y C 0.470 176.373 175.900 0.005 0.000 2.091 126 Y CA 0.036 58.145 58.100 0.016 0.000 1.039 126 Y CB -1.666 36.811 38.460 0.029 0.000 1.645 126 Y HN 0.320 nan 8.280 nan 0.000 0.338 127 R N 0.053 120.624 120.500 0.118 0.000 6.824 127 R HA 0.211 4.550 4.340 -0.002 0.000 0.243 127 R C -1.529 174.778 176.300 0.012 0.000 0.881 127 R CA -1.136 54.998 56.100 0.057 0.000 1.705 127 R CB 0.365 30.692 30.300 0.045 0.000 1.161 127 R HN 0.215 nan 8.270 nan 0.000 0.845 128 R N 2.680 123.183 120.500 0.005 0.000 2.537 128 R HA 0.171 4.510 4.340 -0.002 0.000 0.281 128 R C -0.117 176.138 176.300 -0.074 0.000 0.988 128 R CA 0.293 56.391 56.100 -0.004 0.000 1.077 128 R CB 0.235 30.537 30.300 0.003 0.000 0.932 128 R HN 0.422 nan 8.270 nan 0.000 0.409 129 L N 4.378 125.553 121.223 -0.080 0.000 2.323 129 L HA 0.377 4.716 4.340 -0.002 0.000 0.265 129 L C -1.393 175.348 176.870 -0.215 0.000 1.012 129 L CA -1.971 52.680 54.840 -0.315 0.000 0.820 129 L CB 2.081 43.904 42.059 -0.393 0.000 1.334 129 L HN 0.442 nan 8.230 nan 0.000 0.427 130 P HA 0.144 nan 4.420 nan 0.000 0.251 130 P C 1.586 178.800 177.300 -0.143 0.000 1.223 130 P CA 0.217 63.236 63.100 -0.135 0.000 0.796 130 P CB 0.553 32.213 31.700 -0.066 0.000 1.068 131 I N -0.551 119.830 120.570 -0.315 0.000 2.285 131 I HA -0.288 3.881 4.170 -0.002 0.000 0.254 131 I C 1.022 176.897 176.117 -0.404 0.000 1.093 131 I CA 1.846 62.905 61.300 -0.401 0.000 1.368 131 I CB -0.423 37.078 38.000 -0.832 0.000 1.054 131 I HN 0.012 nan 8.210 nan 0.000 0.435 132 Y N 0.184 120.583 120.300 0.164 0.000 2.625 132 Y HA 0.143 4.692 4.550 -0.002 0.000 0.285 132 Y C 1.389 177.399 175.900 0.183 0.000 1.168 132 Y CA -0.669 57.611 58.100 0.299 0.000 1.250 132 Y CB -0.595 38.075 38.460 0.351 0.000 1.130 132 Y HN 0.056 nan 8.280 nan 0.000 0.526 133 T N -3.115 111.505 114.554 0.109 0.000 2.898 133 T HA 0.049 4.398 4.350 -0.002 0.000 0.301 133 T C 1.136 175.874 174.700 0.064 0.000 1.049 133 T CA -0.466 61.688 62.100 0.090 0.000 1.095 133 T CB 1.296 70.186 68.868 0.037 0.000 0.976 133 T HN 0.389 nan 8.240 nan 0.000 0.539 134 Q N 1.695 121.552 119.800 0.094 0.000 2.002 134 Q HA -0.081 4.258 4.340 -0.002 0.000 0.204 134 Q C 2.656 178.678 176.000 0.037 0.000 0.988 134 Q CA 1.737 57.597 55.803 0.094 0.000 0.843 134 Q CB -0.991 27.798 28.738 0.085 0.000 0.908 134 Q HN 1.014 nan 8.270 nan 0.000 0.420 135 G N 0.950 109.763 108.800 0.020 0.000 2.517 135 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.222 135 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.222 135 G C 1.344 176.226 174.900 -0.031 0.000 1.109 135 G CA 0.712 45.813 45.100 0.003 0.000 0.746 135 G HN 0.205 nan 8.290 nan 0.000 0.576 136 L N -0.009 121.164 121.223 -0.085 0.000 2.156 136 L HA -0.047 4.292 4.340 -0.002 0.000 0.208 136 L C 2.953 179.693 176.870 -0.217 0.000 1.095 136 L CA 0.180 54.916 54.840 -0.173 0.000 0.770 136 L CB -0.280 41.592 42.059 -0.313 0.000 0.914 136 L HN 0.122 nan 8.230 nan 0.000 0.439 137 V N 0.226 120.032 119.914 -0.180 0.000 2.219 137 V HA -0.368 3.751 4.120 -0.002 0.000 0.248 137 V C 2.175 178.352 176.094 0.138 0.000 1.053 137 V CA 2.256 64.598 62.300 0.071 0.000 1.009 137 V CB -0.660 31.321 31.823 0.264 0.000 0.636 137 V HN 0.471 nan 8.190 nan 0.000 0.445 138 D N 0.263 120.709 120.400 0.076 0.000 2.127 138 D HA -0.204 4.435 4.640 -0.002 0.000 0.190 138 D C 2.117 178.431 176.300 0.022 0.000 1.000 138 D CA 1.568 55.600 54.000 0.053 0.000 0.839 138 D CB -0.506 40.308 40.800 0.025 0.000 0.955 138 D HN 0.472 nan 8.370 nan 0.000 0.446 139 K N -0.163 120.223 120.400 -0.023 0.000 2.089 139 K HA -0.199 4.120 4.320 -0.002 0.000 0.210 139 K C 2.259 178.759 176.600 -0.167 0.000 1.048 139 K CA 1.077 57.306 56.287 -0.096 0.000 0.926 139 K CB -0.465 31.966 32.500 -0.115 0.000 0.714 139 K HN 0.325 nan 8.250 nan 0.000 0.448 140 Y N 0.890 121.118 120.300 -0.120 0.000 2.519 140 Y HA -0.002 4.547 4.550 -0.002 0.000 0.287 140 Y C 1.479 177.406 175.900 0.046 0.000 1.128 140 Y CA -0.101 57.943 58.100 -0.095 0.000 1.282 140 Y CB 0.079 38.392 38.460 -0.245 0.000 1.027 140 Y HN -0.016 nan 8.280 nan 0.000 0.551 141 R N -0.069 120.558 120.500 0.212 0.000 2.944 141 R HA 0.101 4.440 4.340 -0.002 0.000 0.279 141 R C 1.758 178.139 176.300 0.134 0.000 1.048 141 R CA 1.093 57.328 56.100 0.226 0.000 1.196 141 R CB -0.354 30.040 30.300 0.157 0.000 1.134 141 R HN 0.400 nan 8.270 nan 0.000 0.525 142 G N 0.705 109.588 108.800 0.139 0.000 2.445 142 G HA2 -0.399 3.560 3.960 -0.002 0.000 0.257 142 G HA3 -0.399 3.560 3.960 -0.002 0.000 0.257 142 G C -0.445 174.483 174.900 0.046 0.000 0.998 142 G CA 1.687 46.835 45.100 0.081 0.000 0.656 142 G HN 0.557 nan 8.290 nan 0.000 0.580 143 K N 1.157 121.582 120.400 0.042 0.000 2.205 143 K HA 0.433 4.752 4.320 -0.002 0.000 0.279 143 K C 0.754 177.362 176.600 0.015 0.000 1.027 143 K CA -0.797 55.491 56.287 0.002 0.000 0.932 143 K CB 1.181 33.645 32.500 -0.058 0.000 1.032 143 K HN 0.273 nan 8.250 nan 0.000 0.466 144 R N 1.502 121.992 120.500 -0.015 0.000 2.811 144 R HA -0.027 4.312 4.340 -0.002 0.000 0.265 144 R C 1.471 177.776 176.300 0.009 0.000 1.026 144 R CA -0.030 56.057 56.100 -0.022 0.000 1.142 144 R CB 0.224 30.501 30.300 -0.038 0.000 1.027 144 R HN 0.698 nan 8.270 nan 0.000 0.465 145 R N 1.381 121.890 120.500 0.015 0.000 2.103 145 R HA -0.195 4.145 4.340 -0.002 0.000 0.242 145 R C 1.674 177.990 176.300 0.026 0.000 1.142 145 R CA 2.116 58.237 56.100 0.035 0.000 0.960 145 R CB -0.277 29.973 30.300 -0.083 0.000 0.858 145 R HN 0.748 nan 8.270 nan 0.000 0.439 146 A N 0.227 123.033 122.820 -0.024 0.000 2.235 146 A HA -0.034 4.285 4.320 -0.002 0.000 0.208 146 A C 1.404 178.980 177.584 -0.014 0.000 1.172 146 A CA 0.660 52.687 52.037 -0.016 0.000 0.786 146 A CB -0.097 18.885 19.000 -0.030 0.000 0.804 146 A HN 0.474 nan 8.150 nan 0.000 0.479 147 E N -1.666 118.520 120.200 -0.023 0.000 2.371 147 E HA 0.083 4.432 4.350 -0.002 0.000 0.194 147 E C 0.202 176.747 176.600 -0.091 0.000 1.012 147 E CA 0.248 56.621 56.400 -0.045 0.000 0.860 147 E CB 0.096 29.766 29.700 -0.050 0.000 0.811 147 E HN 0.541 nan 8.360 nan 0.000 0.502 148 M N -0.338 119.206 119.600 -0.094 0.000 2.819 148 M HA 0.372 4.851 4.480 -0.002 0.000 0.300 148 M C -2.605 173.696 176.300 0.002 0.000 1.237 148 M CA -2.681 52.504 55.300 -0.192 0.000 0.813 148 M CB 1.975 34.251 32.600 -0.541 0.000 1.755 148 M HN -0.319 nan 8.290 nan 0.000 0.484 149 P HA 0.421 nan 4.420 nan 0.000 0.280 149 P C -2.692 174.772 177.300 0.274 0.000 1.272 149 P CA -1.420 61.747 63.100 0.111 0.000 0.819 149 P CB -0.371 31.331 31.700 0.005 0.000 1.122 150 P HA 0.064 nan 4.420 nan 0.000 0.262 150 P C -0.777 176.424 177.300 -0.166 0.000 1.182 150 P CA 1.097 64.010 63.100 -0.312 0.000 0.761 150 P CB -0.173 31.247 31.700 -0.467 0.000 0.795 151 H N 1.298 120.088 119.070 -0.466 0.000 3.093 151 H HA 0.079 4.634 4.556 -0.002 0.000 0.312 151 H C 0.361 175.264 175.328 -0.709 0.000 1.213 151 H CA -0.765 54.905 56.048 -0.630 0.000 1.366 151 H CB 0.398 29.702 29.762 -0.763 0.000 1.998 151 H HN 0.152 nan 8.280 nan 0.000 0.522 152 L N 3.302 123.961 121.223 -0.939 0.000 1.965 152 L HA -0.213 4.126 4.340 -0.002 0.000 0.226 152 L C 1.565 178.239 176.870 -0.327 0.000 1.083 152 L CA 2.330 56.786 54.840 -0.640 0.000 0.790 152 L CB -0.766 40.854 42.059 -0.731 0.000 0.898 152 L HN 0.788 nan 8.230 nan 0.000 0.439 153 F N -0.208 119.513 119.950 -0.382 0.000 2.127 153 F HA -0.385 4.141 4.527 -0.002 0.000 0.299 153 F C 2.822 178.345 175.800 -0.462 0.000 1.068 153 F CA 1.734 59.295 58.000 -0.732 0.000 1.263 153 F CB -1.636 36.839 39.000 -0.876 0.000 1.016 153 F HN 0.432 nan 8.300 nan 0.000 0.491 154 S N 0.567 116.223 115.700 -0.073 0.000 2.335 154 S HA -0.164 4.305 4.470 -0.002 0.000 0.216 154 S C 2.103 176.749 174.600 0.077 0.000 1.032 154 S CA 1.236 59.532 58.200 0.161 0.000 1.000 154 S CB -0.869 62.544 63.200 0.354 0.000 0.928 154 S HN 0.271 nan 8.310 nan 0.000 0.434 155 I N 3.050 123.653 120.570 0.054 0.000 2.185 155 I HA -0.263 3.906 4.170 -0.002 0.000 0.246 155 I C 3.088 179.179 176.117 -0.042 0.000 1.088 155 I CA 1.635 62.936 61.300 0.002 0.000 1.347 155 I CB -1.774 36.233 38.000 0.013 0.000 1.041 155 I HN 0.519 nan 8.210 nan 0.000 0.415 156 A N 0.315 123.043 122.820 -0.153 0.000 1.865 156 A HA -0.295 4.024 4.320 -0.002 0.000 0.217 156 A C 2.235 179.941 177.584 0.203 0.000 1.191 156 A CA 2.238 54.170 52.037 -0.175 0.000 0.623 156 A CB -0.857 17.689 19.000 -0.756 0.000 0.826 156 A HN 0.489 nan 8.150 nan 0.000 0.444 157 D N -0.435 120.063 120.400 0.164 0.000 2.081 157 D HA -0.177 4.462 4.640 -0.002 0.000 0.194 157 D C 1.515 178.034 176.300 0.365 0.000 0.986 157 D CA 1.487 55.745 54.000 0.429 0.000 0.837 157 D CB -0.301 40.714 40.800 0.359 0.000 0.985 157 D HN 0.360 nan 8.370 nan 0.000 0.448 158 N N 0.984 119.822 118.700 0.229 0.000 2.182 158 N HA -0.221 4.518 4.740 -0.002 0.000 0.192 158 N C 1.773 177.513 175.510 0.382 0.000 1.007 158 N CA 1.256 54.428 53.050 0.204 0.000 0.873 158 N CB -0.422 38.161 38.487 0.161 0.000 0.998 158 N HN 0.261 nan 8.380 nan 0.000 0.436 159 A N 1.053 124.072 122.820 0.332 0.000 1.841 159 A HA -0.223 4.096 4.320 -0.002 0.000 0.216 159 A C 2.163 180.024 177.584 0.462 0.000 1.199 159 A CA 1.461 53.790 52.037 0.487 0.000 0.621 159 A CB -1.344 17.962 19.000 0.511 0.000 0.835 159 A HN 0.347 nan 8.150 nan 0.000 0.445 160 Y N 0.872 121.353 120.300 0.302 0.000 2.102 160 Y HA -0.334 4.215 4.550 -0.001 0.000 0.280 160 Y C 2.506 178.409 175.900 0.004 0.000 1.178 160 Y CA 2.322 60.464 58.100 0.070 0.000 1.146 160 Y CB -0.786 37.791 38.460 0.196 0.000 0.968 160 Y HN 0.519 nan 8.280 nan 0.000 0.504 161 Q N -1.100 118.760 119.800 0.099 0.000 1.895 161 Q HA -0.288 4.051 4.340 -0.002 0.000 0.217 161 Q C 2.096 178.035 176.000 -0.102 0.000 1.003 161 Q CA 2.414 58.161 55.803 -0.093 0.000 0.871 161 Q CB -0.903 27.804 28.738 -0.052 0.000 0.941 161 Q HN 0.615 nan 8.270 nan 0.000 0.421 162 Y N 0.475 120.737 120.300 -0.064 0.000 2.215 162 Y HA -0.363 4.186 4.550 -0.002 0.000 0.282 162 Y C 2.416 178.202 175.900 -0.190 0.000 1.207 162 Y CA 1.444 59.486 58.100 -0.096 0.000 1.196 162 Y CB -0.382 38.064 38.460 -0.023 0.000 0.969 162 Y HN 0.321 nan 8.280 nan 0.000 0.528 163 M N -0.095 119.465 119.600 -0.066 0.000 2.126 163 M HA -0.282 4.197 4.480 -0.002 0.000 0.259 163 M C 2.089 178.073 176.300 -0.527 0.000 1.073 163 M CA 1.988 57.081 55.300 -0.346 0.000 1.103 163 M CB -0.514 31.805 32.600 -0.468 0.000 1.284 163 M HN 0.342 nan 8.290 nan 0.000 0.420 164 L N -0.060 120.810 121.223 -0.589 0.000 1.978 164 L HA -0.325 4.014 4.340 -0.002 0.000 0.218 164 L C 2.758 179.499 176.870 -0.214 0.000 1.075 164 L CA 2.320 56.894 54.840 -0.444 0.000 0.767 164 L CB -1.083 40.709 42.059 -0.445 0.000 0.890 164 L HN 0.550 nan 8.230 nan 0.000 0.434 165 Q N -0.396 119.306 119.800 -0.164 0.000 2.170 165 Q HA -0.222 4.117 4.340 -0.002 0.000 0.203 165 Q C 0.903 176.881 176.000 -0.038 0.000 0.976 165 Q CA 1.766 57.518 55.803 -0.086 0.000 0.858 165 Q CB 0.132 28.814 28.738 -0.093 0.000 0.907 165 Q HN 0.470 nan 8.270 nan 0.000 0.433 166 D N -0.395 119.986 120.400 -0.032 0.000 2.369 166 D HA 0.079 4.718 4.640 -0.002 0.000 0.211 166 D C -0.004 176.312 176.300 0.028 0.000 1.077 166 D CA -0.034 53.968 54.000 0.002 0.000 0.842 166 D CB 0.331 41.132 40.800 0.003 0.000 0.947 166 D HN 0.108 nan 8.370 nan 0.000 0.509 167 R N 0.791 121.314 120.500 0.038 0.000 3.891 167 R HA -0.214 4.125 4.340 -0.002 0.000 0.297 167 R C 0.257 176.748 176.300 0.318 0.000 1.226 167 R CA 0.954 57.217 56.100 0.272 0.000 0.848 167 R CB -2.154 28.306 30.300 0.268 0.000 1.224 167 R HN 0.579 nan 8.270 nan 0.000 0.530 168 E N -0.046 120.219 120.200 0.109 0.000 2.285 168 E HA 0.383 4.732 4.350 -0.002 0.000 0.254 168 E C -0.340 176.296 176.600 0.060 0.000 1.011 168 E CA -1.049 55.414 56.400 0.105 0.000 0.873 168 E CB 0.838 30.560 29.700 0.037 0.000 1.229 168 E HN -0.094 nan 8.360 nan 0.000 0.422 169 N N 1.070 119.790 118.700 0.033 0.000 2.530 169 N HA 0.114 4.853 4.740 -0.002 0.000 0.277 169 N C -0.726 174.838 175.510 0.090 0.000 1.168 169 N CA -0.242 52.806 53.050 -0.002 0.000 0.979 169 N CB 0.940 39.312 38.487 -0.193 0.000 1.141 169 N HN 0.399 nan 8.380 nan 0.000 0.459 170 Q N 0.626 120.536 119.800 0.183 0.000 2.341 170 Q HA 0.316 4.655 4.340 -0.002 0.000 0.268 170 Q C -0.620 175.494 176.000 0.190 0.000 1.013 170 Q CA -0.583 55.310 55.803 0.151 0.000 0.798 170 Q CB 1.513 30.371 28.738 0.200 0.000 1.253 170 Q HN 0.653 nan 8.270 nan 0.000 0.457 171 S N 2.203 117.924 115.700 0.036 0.000 2.473 171 S HA 0.758 5.227 4.470 -0.002 0.000 0.307 171 S C -0.173 174.391 174.600 -0.060 0.000 1.094 171 S CA -0.754 57.483 58.200 0.062 0.000 1.070 171 S CB 1.219 64.524 63.200 0.175 0.000 1.019 171 S HN 0.549 nan 8.310 nan 0.000 0.480 172 M N 3.680 123.286 119.600 0.011 0.000 2.125 172 M HA 0.387 4.866 4.480 -0.002 0.000 0.321 172 M C -1.046 175.227 176.300 -0.046 0.000 0.983 172 M CA -0.468 54.835 55.300 0.004 0.000 0.934 172 M CB 1.523 34.188 32.600 0.107 0.000 1.542 172 M HN 0.597 nan 8.290 nan 0.000 0.424 173 L N 6.400 127.537 121.223 -0.144 0.000 2.556 173 L HA 0.413 4.752 4.340 -0.002 0.000 0.245 173 L C -0.372 176.520 176.870 0.038 0.000 1.174 173 L CA -0.390 54.417 54.840 -0.056 0.000 1.117 173 L CB -0.534 41.445 42.059 -0.134 0.000 1.409 173 L HN 0.676 nan 8.230 nan 0.000 0.411 174 I N 0.198 120.790 120.570 0.037 0.000 2.452 174 I HA 0.175 4.344 4.170 -0.002 0.000 0.287 174 I C 0.699 176.851 176.117 0.058 0.000 1.079 174 I CA 0.204 61.535 61.300 0.051 0.000 1.387 174 I CB 0.541 38.553 38.000 0.020 0.000 1.404 174 I HN 0.349 nan 8.210 nan 0.000 0.522 175 T N 3.578 118.179 114.554 0.079 0.000 2.675 175 T HA 0.812 5.161 4.350 -0.002 0.000 0.241 175 T C 0.290 175.016 174.700 0.043 0.000 0.949 175 T CA 0.017 62.161 62.100 0.073 0.000 1.077 175 T CB 1.298 70.234 68.868 0.113 0.000 1.797 175 T HN 1.088 nan 8.240 nan 0.000 0.551 176 G N 0.437 109.263 108.800 0.044 0.000 2.707 176 G HA2 -0.061 3.898 3.960 -0.002 0.000 0.686 176 G HA3 -0.061 3.898 3.960 -0.002 0.000 0.686 176 G C -0.542 174.368 174.900 0.015 0.000 1.315 176 G CA -0.703 44.405 45.100 0.014 0.000 0.832 176 G HN 0.680 nan 8.290 nan 0.000 0.573 177 E N -0.575 119.625 120.200 0.001 0.000 3.056 177 E HA 0.383 4.732 4.350 -0.002 0.000 0.275 177 E C 0.856 177.469 176.600 0.021 0.000 1.468 177 E CA 0.223 56.631 56.400 0.013 0.000 1.219 177 E CB 0.247 29.951 29.700 0.006 0.000 1.119 177 E HN 0.557 nan 8.360 nan 0.000 0.710 178 S N -0.884 114.843 115.700 0.045 0.000 2.548 178 S HA 0.362 4.831 4.470 -0.002 0.000 0.277 178 S C 0.649 175.269 174.600 0.033 0.000 1.315 178 S CA 0.443 58.672 58.200 0.049 0.000 1.050 178 S CB 0.217 63.474 63.200 0.095 0.000 0.918 178 S HN 0.738 nan 8.310 nan 0.000 0.497 179 G N 2.979 111.786 108.800 0.011 0.000 2.176 179 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.252 179 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.252 179 G C 0.470 175.336 174.900 -0.056 0.000 1.024 179 G CA 0.238 45.340 45.100 0.003 0.000 0.755 179 G HN 1.371 nan 8.290 nan 0.000 0.507 180 A N -0.130 122.646 122.820 -0.073 0.000 2.423 180 A HA 0.669 4.988 4.320 -0.002 0.000 0.246 180 A C 1.976 179.472 177.584 -0.147 0.000 1.278 180 A CA 1.128 53.094 52.037 -0.118 0.000 0.903 180 A CB -0.241 18.714 19.000 -0.075 0.000 0.997 180 A HN 2.389 nan 8.150 nan 0.000 0.510 181 G N 1.053 109.769 108.800 -0.139 0.000 2.351 181 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.297 181 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.297 181 G C 0.503 175.346 174.900 -0.096 0.000 1.054 181 G CA 0.674 45.692 45.100 -0.137 0.000 1.123 181 G HN 0.771 nan 8.290 nan 0.000 0.512 182 K N -1.263 119.095 120.400 -0.071 0.000 2.284 182 K HA 0.142 4.461 4.320 -0.002 0.000 0.198 182 K C 2.032 178.594 176.600 -0.063 0.000 1.048 182 K CA 1.010 57.267 56.287 -0.050 0.000 0.987 182 K CB 0.088 32.570 32.500 -0.030 0.000 0.800 182 K HN 0.160 nan 8.250 nan 0.000 0.486 183 T N 1.362 115.870 114.554 -0.077 0.000 3.072 183 T HA 0.007 4.356 4.350 -0.002 0.000 0.266 183 T C 1.319 175.964 174.700 -0.091 0.000 1.127 183 T CA 0.808 62.858 62.100 -0.083 0.000 1.107 183 T CB -0.016 68.797 68.868 -0.092 0.000 0.910 183 T HN 0.187 nan 8.240 nan 0.000 0.513 184 E N 1.451 121.589 120.200 -0.104 0.000 2.060 184 E HA 0.026 4.375 4.350 -0.002 0.000 0.189 184 E C 2.132 178.628 176.600 -0.173 0.000 0.974 184 E CA 0.617 56.935 56.400 -0.137 0.000 0.808 184 E CB -0.204 29.407 29.700 -0.148 0.000 0.768 184 E HN 0.336 nan 8.360 nan 0.000 0.453 185 N N 0.379 119.004 118.700 -0.126 0.000 2.106 185 N HA -0.096 4.644 4.740 -0.002 0.000 0.188 185 N C 1.863 177.286 175.510 -0.144 0.000 1.029 185 N CA 1.305 54.286 53.050 -0.115 0.000 0.848 185 N CB -0.829 37.652 38.487 -0.011 0.000 1.007 185 N HN 0.073 nan 8.380 nan 0.000 0.423 186 T N 2.363 116.856 114.554 -0.102 0.000 2.531 186 T HA -0.213 4.136 4.350 -0.002 0.000 0.261 186 T C 1.530 176.166 174.700 -0.107 0.000 1.141 186 T CA 2.036 64.083 62.100 -0.089 0.000 1.176 186 T CB -0.324 68.508 68.868 -0.060 0.000 0.863 186 T HN 0.449 nan 8.240 nan 0.000 0.424 187 K N 0.854 121.194 120.400 -0.100 0.000 2.520 187 K HA -0.044 4.275 4.320 -0.002 0.000 0.197 187 K C 2.075 178.590 176.600 -0.141 0.000 1.043 187 K CA 0.646 56.878 56.287 -0.093 0.000 0.944 187 K CB 0.055 32.513 32.500 -0.069 0.000 0.770 187 K HN 0.190 nan 8.250 nan 0.000 0.480 188 K N 1.014 121.283 120.400 -0.219 0.000 2.029 188 K HA 0.005 4.324 4.320 -0.002 0.000 0.205 188 K C 2.272 178.662 176.600 -0.349 0.000 1.042 188 K CA 0.731 56.830 56.287 -0.313 0.000 0.949 188 K CB -0.580 31.657 32.500 -0.439 0.000 0.740 188 K HN -0.034 nan 8.250 nan 0.000 0.442 189 V N 3.038 122.735 119.914 -0.362 0.000 2.220 189 V HA -0.305 3.814 4.120 -0.002 0.000 0.250 189 V C 2.464 178.374 176.094 -0.307 0.000 1.056 189 V CA 1.819 63.864 62.300 -0.425 0.000 1.016 189 V CB -0.603 31.063 31.823 -0.263 0.000 0.639 189 V HN 0.167 nan 8.190 nan 0.000 0.446 190 I N -0.195 120.310 120.570 -0.107 0.000 2.151 190 I HA -0.304 3.865 4.170 -0.002 0.000 0.243 190 I C 2.614 178.735 176.117 0.008 0.000 1.080 190 I CA 1.823 63.138 61.300 0.025 0.000 1.339 190 I CB -1.487 36.530 38.000 0.028 0.000 1.039 190 I HN 0.449 nan 8.210 nan 0.000 0.409 191 Q N -0.774 118.999 119.800 -0.045 0.000 2.226 191 Q HA -0.236 4.103 4.340 -0.002 0.000 0.204 191 Q C 2.107 178.114 176.000 0.010 0.000 0.975 191 Q CA 1.401 57.199 55.803 -0.010 0.000 0.866 191 Q CB -0.299 28.430 28.738 -0.015 0.000 0.915 191 Q HN 0.502 nan 8.270 nan 0.000 0.440 192 Y N 0.390 120.529 120.300 -0.268 0.000 2.044 192 Y HA -0.300 4.249 4.550 -0.002 0.000 0.264 192 Y C 1.625 177.430 175.900 -0.159 0.000 1.111 192 Y CA 1.837 59.753 58.100 -0.308 0.000 1.088 192 Y CB -0.845 37.218 38.460 -0.662 0.000 0.981 192 Y HN 0.077 nan 8.280 nan 0.000 0.478 193 F N 0.259 120.181 119.950 -0.047 0.000 2.176 193 F HA -0.362 4.164 4.527 -0.001 0.000 0.301 193 F C 2.557 178.276 175.800 -0.136 0.000 1.071 193 F CA 0.854 58.739 58.000 -0.192 0.000 1.289 193 F CB -0.840 38.184 39.000 0.040 0.000 1.028 193 F HN 0.237 nan 8.300 nan 0.000 0.494 194 A N 0.070 122.955 122.820 0.108 0.000 2.024 194 A HA -0.110 4.209 4.320 -0.002 0.000 0.220 194 A C 2.113 179.704 177.584 0.011 0.000 1.164 194 A CA 1.416 53.493 52.037 0.067 0.000 0.643 194 A CB -0.649 18.386 19.000 0.058 0.000 0.806 194 A HN 0.440 nan 8.150 nan 0.000 0.451 195 L N -1.566 119.627 121.223 -0.051 0.000 2.194 195 L HA -0.024 4.315 4.340 -0.002 0.000 0.197 195 L C 2.426 179.214 176.870 -0.137 0.000 1.106 195 L CA 0.625 55.426 54.840 -0.065 0.000 0.785 195 L CB -0.860 41.175 42.059 -0.040 0.000 0.960 195 L HN 0.179 nan 8.230 nan 0.000 0.465 196 V N 0.993 120.718 119.914 -0.314 0.000 2.230 196 V HA -0.440 3.679 4.120 -0.002 0.000 0.256 196 V C 2.607 178.565 176.094 -0.228 0.000 1.064 196 V CA 2.518 64.596 62.300 -0.369 0.000 1.050 196 V CB -1.251 30.154 31.823 -0.697 0.000 0.666 196 V HN 0.581 nan 8.190 nan 0.000 0.457 197 A N -0.275 122.410 122.820 -0.225 0.000 2.016 197 A HA 0.400 4.719 4.320 -0.002 0.000 0.217 197 A C 1.552 179.160 177.584 0.040 0.000 1.162 197 A CA 0.831 52.822 52.037 -0.076 0.000 0.662 197 A CB -0.711 18.269 19.000 -0.034 0.000 0.812 197 A HN 0.973 nan 8.150 nan 0.000 0.450 198 A N 0.858 123.700 122.820 0.036 0.000 2.641 198 A HA 0.250 4.569 4.320 -0.002 0.000 0.228 198 A C 1.078 178.698 177.584 0.060 0.000 1.049 198 A CA 0.665 52.734 52.037 0.054 0.000 0.779 198 A CB -0.378 18.643 19.000 0.035 0.000 0.947 198 A HN 1.241 nan 8.150 nan 0.000 0.498 199 S N 1.029 116.769 115.700 0.066 0.000 2.652 199 S HA 0.666 5.135 4.470 -0.002 0.000 0.267 199 S C 0.000 174.629 174.600 0.048 0.000 1.201 199 S CA -0.695 57.544 58.200 0.064 0.000 0.996 199 S CB 0.834 64.075 63.200 0.067 0.000 1.054 199 S HN 0.824 nan 8.310 nan 0.000 0.561 200 L N 1.016 122.266 121.223 0.045 0.000 2.488 200 L HA 0.642 4.981 4.340 -0.002 0.000 0.250 200 L C -0.251 176.639 176.870 0.033 0.000 1.280 200 L CA -0.193 54.668 54.840 0.036 0.000 0.929 200 L CB 0.388 42.467 42.059 0.034 0.000 1.200 200 L HN 1.001 nan 8.230 nan 0.000 0.495 216 K N 1.798 122.223 120.400 0.042 0.000 2.664 216 K HA 0.088 4.407 4.320 -0.002 0.000 0.193 216 K C -0.007 176.629 176.600 0.059 0.000 1.028 216 K CA 0.566 56.884 56.287 0.052 0.000 1.005 216 K CB -0.146 32.389 32.500 0.059 0.000 0.815 216 K HN 0.133 nan 8.250 nan 0.000 0.496 217 K N 0.218 120.649 120.400 0.053 0.000 2.110 217 K HA 0.190 4.509 4.320 -0.002 0.000 0.263 217 K C 1.045 177.676 176.600 0.052 0.000 0.975 217 K CA -0.506 55.816 56.287 0.059 0.000 0.895 217 K CB 1.533 34.066 32.500 0.055 0.000 1.060 217 K HN -0.013 nan 8.250 nan 0.000 0.448 218 G N 1.286 110.120 108.800 0.058 0.000 2.135 218 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.169 218 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.169 218 G C -0.256 174.670 174.900 0.042 0.000 1.597 218 G CA 0.719 45.849 45.100 0.051 0.000 0.996 218 G HN 0.533 nan 8.290 nan 0.000 0.373 219 T N -1.970 112.609 114.554 0.041 0.000 2.927 219 T HA 0.142 4.491 4.350 -0.002 0.000 0.350 219 T C 0.599 175.320 174.700 0.036 0.000 1.746 219 T CA -0.449 61.673 62.100 0.036 0.000 1.081 219 T CB 1.270 70.160 68.868 0.037 0.000 1.551 219 T HN 0.341 nan 8.240 nan 0.000 0.489 220 L N 1.804 123.047 121.223 0.033 0.000 2.127 220 L HA -0.068 4.271 4.340 -0.002 0.000 0.211 220 L C 1.915 178.805 176.870 0.033 0.000 1.089 220 L CA 2.154 57.013 54.840 0.030 0.000 0.757 220 L CB -0.174 41.903 42.059 0.030 0.000 0.899 220 L HN 0.682 nan 8.230 nan 0.000 0.434 221 E N -1.185 119.039 120.200 0.040 0.000 2.102 221 E HA -0.099 4.250 4.350 -0.002 0.000 0.190 221 E C 1.842 178.466 176.600 0.040 0.000 0.971 221 E CA 0.853 57.280 56.400 0.044 0.000 0.821 221 E CB -0.290 29.440 29.700 0.051 0.000 0.777 221 E HN 0.344 nan 8.360 nan 0.000 0.460 222 D N 1.016 121.439 120.400 0.039 0.000 2.116 222 D HA -0.191 4.448 4.640 -0.002 0.000 0.193 222 D C 1.868 178.191 176.300 0.039 0.000 0.998 222 D CA 1.268 55.291 54.000 0.038 0.000 0.836 222 D CB -0.194 40.630 40.800 0.040 0.000 0.951 222 D HN 0.188 nan 8.370 nan 0.000 0.449 223 Q N -0.292 119.532 119.800 0.041 0.000 2.167 223 Q HA -0.045 4.294 4.340 -0.002 0.000 0.202 223 Q C 2.406 178.428 176.000 0.036 0.000 0.970 223 Q CA 0.568 56.398 55.803 0.045 0.000 0.855 223 Q CB 0.019 28.787 28.738 0.049 0.000 0.911 223 Q HN 0.384 nan 8.270 nan 0.000 0.438 224 I N -0.292 120.294 120.570 0.027 0.000 2.264 224 I HA -0.280 3.889 4.170 -0.002 0.000 0.248 224 I C 2.168 178.298 176.117 0.022 0.000 1.111 224 I CA 0.877 62.187 61.300 0.017 0.000 1.382 224 I CB -0.362 37.645 38.000 0.012 0.000 1.060 224 I HN 0.086 nan 8.210 nan 0.000 0.418 225 V N 0.548 120.479 119.914 0.027 0.000 2.270 225 V HA -0.242 3.877 4.120 -0.002 0.000 0.245 225 V C 2.247 178.354 176.094 0.022 0.000 1.043 225 V CA 1.594 63.908 62.300 0.024 0.000 1.014 225 V CB -0.523 31.314 31.823 0.025 0.000 0.645 225 V HN 0.459 nan 8.190 nan 0.000 0.447 226 Q N -1.207 118.607 119.800 0.024 0.000 2.591 226 Q HA -0.147 4.192 4.340 -0.002 0.000 0.219 226 Q C 2.130 178.138 176.000 0.014 0.000 0.981 226 Q CA 0.848 56.659 55.803 0.014 0.000 0.945 226 Q CB -1.280 27.466 28.738 0.014 0.000 0.985 226 Q HN 0.674 nan 8.270 nan 0.000 0.542 227 C N 0.907 120.225 119.300 0.031 0.000 2.446 227 C HA -0.081 4.378 4.460 -0.002 0.000 0.277 227 C C 2.353 177.382 174.990 0.064 0.000 1.275 227 C CA 0.248 59.292 59.018 0.045 0.000 1.727 227 C CB -0.710 27.058 27.740 0.045 0.000 2.010 227 C HN 0.599 nan 8.230 nan 0.000 0.486 228 N N 1.217 119.954 118.700 0.062 0.000 2.018 228 N HA -0.128 4.611 4.740 -0.002 0.000 0.196 228 N C -0.610 174.952 175.510 0.086 0.000 1.043 228 N CA 1.801 54.900 53.050 0.082 0.000 0.856 228 N CB -2.026 36.489 38.487 0.047 0.000 1.042 228 N HN 0.347 nan 8.380 nan 0.000 0.423 229 P HA -0.135 nan 4.420 nan 0.000 0.212 229 P C 1.957 179.270 177.300 0.020 0.000 1.174 229 P CA 0.988 64.097 63.100 0.014 0.000 0.934 229 P CB -0.084 31.591 31.700 -0.041 0.000 0.791 230 V N -0.818 119.058 119.914 -0.064 0.000 2.392 230 V HA -0.235 3.884 4.120 -0.002 0.000 0.249 230 V C 2.455 178.674 176.094 0.208 0.000 1.059 230 V CA 1.632 63.880 62.300 -0.087 0.000 1.051 230 V CB -1.114 30.543 31.823 -0.277 0.000 0.658 230 V HN 0.125 nan 8.190 nan 0.000 0.455 231 L N -0.557 120.790 121.223 0.207 0.000 2.044 231 L HA -0.138 4.201 4.340 -0.002 0.000 0.205 231 L C 2.575 179.765 176.870 0.534 0.000 1.075 231 L CA 1.822 56.883 54.840 0.368 0.000 0.747 231 L CB -0.624 41.660 42.059 0.375 0.000 0.903 231 L HN 0.436 nan 8.230 nan 0.000 0.435 232 E N 0.067 120.482 120.200 0.359 0.000 2.204 232 E HA -0.158 4.191 4.350 -0.002 0.000 0.194 232 E C 2.026 178.761 176.600 0.225 0.000 0.989 232 E CA 0.927 57.494 56.400 0.278 0.000 0.824 232 E CB -0.075 29.723 29.700 0.163 0.000 0.756 232 E HN 0.443 nan 8.360 nan 0.000 0.477 233 A N -0.014 122.926 122.820 0.199 0.000 2.216 233 A HA -0.123 4.196 4.320 -0.002 0.000 0.214 233 A C 1.038 178.567 177.584 -0.092 0.000 1.160 233 A CA 1.022 53.087 52.037 0.046 0.000 0.725 233 A CB -0.233 18.721 19.000 -0.077 0.000 0.784 233 A HN 0.299 nan 8.150 nan 0.000 0.472 234 Y N -2.952 117.492 120.300 0.240 0.000 2.425 234 Y HA 0.266 4.815 4.550 -0.002 0.000 0.261 234 Y C 2.292 178.314 175.900 0.202 0.000 1.084 234 Y CA 0.162 58.403 58.100 0.235 0.000 1.248 234 Y CB 0.243 38.837 38.460 0.223 0.000 1.270 234 Y HN 0.249 nan 8.280 nan 0.000 0.524 235 G N -0.450 108.694 108.800 0.573 0.000 2.656 235 G HA2 0.017 3.976 3.960 -0.002 0.000 0.211 235 G HA3 0.017 3.976 3.960 -0.002 0.000 0.211 235 G C 0.444 175.645 174.900 0.503 0.000 1.137 235 G CA -0.022 45.492 45.100 0.689 0.000 0.802 235 G HN 0.026 nan 8.290 nan 0.000 0.527 236 N N 0.667 119.484 118.700 0.195 0.000 2.472 236 N HA 0.673 5.412 4.740 -0.002 0.000 0.289 236 N C -0.688 174.470 175.510 -0.585 0.000 1.156 236 N CA 0.044 52.981 53.050 -0.187 0.000 0.940 236 N CB 2.063 40.385 38.487 -0.275 0.000 1.200 236 N HN 0.226 nan 8.380 nan 0.000 0.511 237 A N 0.543 123.073 122.820 -0.483 0.000 2.577 237 A HA 0.272 4.591 4.320 -0.002 0.000 0.297 237 A C -0.648 176.935 177.584 -0.003 0.000 1.060 237 A CA -0.823 51.039 52.037 -0.292 0.000 0.697 237 A CB 1.061 19.829 19.000 -0.388 0.000 1.281 237 A HN 0.607 nan 8.150 nan 0.000 0.402 238 K N 1.174 121.665 120.400 0.151 0.000 2.511 238 K HA 0.349 4.669 4.320 -0.002 0.000 0.280 238 K C -0.420 176.169 176.600 -0.019 0.000 1.008 238 K CA 1.048 57.367 56.287 0.053 0.000 1.050 238 K CB 0.177 32.663 32.500 -0.023 0.000 0.889 238 K HN 0.658 nan 8.250 nan 0.000 0.484 239 T N 2.952 117.500 114.554 -0.009 0.000 2.901 239 T HA 0.136 4.485 4.350 -0.002 0.000 0.293 239 T C 0.907 175.602 174.700 -0.007 0.000 1.084 239 T CA -0.740 61.349 62.100 -0.019 0.000 1.008 239 T CB 1.758 70.621 68.868 -0.008 0.000 1.170 239 T HN 0.637 nan 8.240 nan 0.000 0.509 240 T N 1.392 115.941 114.554 -0.008 0.000 2.652 240 T HA -0.115 4.234 4.350 -0.002 0.000 0.267 240 T C 2.159 176.870 174.700 0.019 0.000 1.039 240 T CA 1.235 63.334 62.100 -0.001 0.000 1.153 240 T CB -0.085 68.783 68.868 0.001 0.000 0.863 240 T HN 0.306 nan 8.240 nan 0.000 0.428 241 R N 1.269 121.793 120.500 0.039 0.000 2.152 241 R HA 0.045 4.384 4.340 -0.002 0.000 0.232 241 R C 0.514 176.855 176.300 0.069 0.000 1.117 241 R CA 0.762 56.898 56.100 0.060 0.000 0.981 241 R CB -0.185 30.162 30.300 0.079 0.000 0.870 241 R HN 0.359 nan 8.270 nan 0.000 0.451 242 N N -0.515 118.216 118.700 0.052 0.000 2.455 242 N HA 0.061 4.801 4.740 -0.002 0.000 0.285 242 N C -0.343 175.196 175.510 0.049 0.000 1.080 242 N CA -0.415 52.671 53.050 0.061 0.000 0.932 242 N CB 0.861 39.377 38.487 0.048 0.000 1.610 242 N HN -0.206 nan 8.380 nan 0.000 0.493 243 N N 1.645 120.376 118.700 0.052 0.000 2.453 243 N HA -0.110 4.629 4.740 -0.002 0.000 0.183 243 N C -0.212 175.363 175.510 0.107 0.000 1.041 243 N CA 0.664 53.741 53.050 0.044 0.000 0.900 243 N CB 0.026 38.517 38.487 0.007 0.000 0.961 243 N HN 0.507 nan 8.380 nan 0.000 0.443 244 N N 0.538 119.301 118.700 0.105 0.000 2.541 244 N HA 0.028 4.767 4.740 -0.002 0.000 0.297 244 N C -1.085 174.460 175.510 0.057 0.000 1.503 244 N CA -0.091 53.061 53.050 0.170 0.000 0.919 244 N CB 0.185 38.753 38.487 0.135 0.000 1.305 244 N HN -0.171 nan 8.380 nan 0.000 0.501 245 S N -0.007 115.706 115.700 0.023 0.000 2.563 245 S HA 0.050 4.519 4.470 -0.002 0.000 0.294 245 S C 0.058 174.605 174.600 -0.088 0.000 1.279 245 S CA -0.020 58.162 58.200 -0.030 0.000 1.069 245 S CB 0.062 63.250 63.200 -0.021 0.000 0.828 245 S HN 0.351 nan 8.310 nan 0.000 0.497 246 S N 5.821 121.448 115.700 -0.122 0.000 2.423 246 S HA 0.206 4.675 4.470 -0.002 0.000 0.302 246 S C 0.657 175.159 174.600 -0.164 0.000 1.143 246 S CA -0.688 57.356 58.200 -0.260 0.000 1.080 246 S CB 0.321 63.370 63.200 -0.251 0.000 1.081 246 S HN 0.507 nan 8.310 nan 0.000 0.522 247 R N 2.038 122.496 120.500 -0.069 0.000 2.346 247 R HA 0.297 4.637 4.340 -0.002 0.000 0.225 247 R C -0.181 176.298 176.300 0.298 0.000 0.987 247 R CA -0.374 55.814 56.100 0.147 0.000 1.106 247 R CB -1.309 29.194 30.300 0.338 0.000 1.090 247 R HN 0.767 nan 8.270 nan 0.000 0.502 248 F N -5.321 114.692 119.950 0.104 0.000 2.807 248 F HA 0.619 5.145 4.527 -0.002 0.000 0.316 248 F C -0.131 175.745 175.800 0.126 0.000 1.162 248 F CA -1.693 56.382 58.000 0.125 0.000 0.910 248 F CB 0.509 39.600 39.000 0.152 0.000 1.314 248 F HN -0.119 nan 8.300 nan 0.000 0.454 249 G N 1.111 110.236 108.800 0.542 0.000 2.476 249 G HA2 0.576 4.535 3.960 -0.002 0.000 0.286 249 G HA3 0.576 4.535 3.960 -0.002 0.000 0.286 249 G C -1.780 173.404 174.900 0.473 0.000 1.177 249 G CA -0.821 44.438 45.100 0.265 0.000 0.870 249 G HN 0.833 nan 8.290 nan 0.000 0.528 250 K N 0.003 120.533 120.400 0.217 0.000 2.525 250 K HA 0.480 4.800 4.320 -0.002 0.000 0.254 250 K C -2.247 174.482 176.600 0.215 0.000 0.934 250 K CA -0.766 55.718 56.287 0.328 0.000 0.802 250 K CB 2.228 34.935 32.500 0.345 0.000 1.295 250 K HN 0.332 nan 8.250 nan 0.000 0.433 251 F N 5.462 125.484 119.950 0.120 0.000 2.612 251 F HA 0.481 5.007 4.527 -0.002 0.000 0.332 251 F C -1.368 174.445 175.800 0.022 0.000 1.167 251 F CA -0.793 57.231 58.000 0.039 0.000 0.970 251 F CB 0.825 39.884 39.000 0.099 0.000 1.234 251 F HN 0.472 nan 8.300 nan 0.000 0.453 252 I N 5.814 126.192 120.570 -0.319 0.000 2.648 252 I HA 0.655 4.824 4.170 -0.002 0.000 0.304 252 I C -1.194 174.606 176.117 -0.529 0.000 1.009 252 I CA -0.630 60.518 61.300 -0.253 0.000 1.114 252 I CB 1.381 39.298 38.000 -0.138 0.000 1.293 252 I HN 0.668 nan 8.210 nan 0.000 0.449 253 R N 7.107 127.334 120.500 -0.457 0.000 2.574 253 R HA 0.592 4.931 4.340 -0.002 0.000 0.288 253 R C -1.447 174.474 176.300 -0.632 0.000 1.004 253 R CA -0.762 54.954 56.100 -0.640 0.000 0.895 253 R CB 2.001 31.850 30.300 -0.750 0.000 1.191 253 R HN 0.508 nan 8.270 nan 0.000 0.444 254 I N 3.659 123.850 120.570 -0.631 0.000 2.378 254 I HA 0.325 4.494 4.170 -0.002 0.000 0.291 254 I C -0.168 175.355 176.117 -0.990 0.000 0.992 254 I CA -0.738 60.120 61.300 -0.736 0.000 1.154 254 I CB 1.447 39.069 38.000 -0.630 0.000 1.315 254 I HN 0.467 nan 8.210 nan 0.000 0.448 255 H N 6.324 125.109 119.070 -0.475 0.000 2.467 255 H HA 0.475 5.030 4.556 -0.002 0.000 0.326 255 H C -0.987 174.102 175.328 -0.398 0.000 1.094 255 H CA -0.354 55.519 56.048 -0.292 0.000 1.253 255 H CB 1.416 31.144 29.762 -0.057 0.000 1.439 255 H HN 0.344 nan 8.280 nan 0.000 0.479 256 F N 0.008 120.161 119.950 0.338 0.000 2.482 256 F HA 0.344 4.870 4.527 -0.002 0.000 0.331 256 F C 1.093 177.065 175.800 0.286 0.000 1.115 256 F CA -1.032 57.152 58.000 0.306 0.000 0.955 256 F CB 1.815 41.022 39.000 0.345 0.000 1.136 256 F HN 0.576 nan 8.300 nan 0.000 0.452 257 G N 1.794 110.814 108.800 0.366 0.000 2.807 257 G HA2 0.394 4.353 3.960 -0.002 0.000 0.316 257 G HA3 0.394 4.353 3.960 -0.002 0.000 0.316 257 G C 0.618 175.638 174.900 0.200 0.000 0.900 257 G CA 0.023 45.242 45.100 0.197 0.000 1.499 257 G HN 0.814 nan 8.290 nan 0.000 0.484 258 T N 1.576 116.258 114.554 0.213 0.000 11.594 258 T HA -0.398 3.951 4.350 -0.002 0.000 0.419 258 T C 2.088 176.912 174.700 0.206 0.000 1.441 258 T CA 2.180 64.415 62.100 0.224 0.000 2.406 258 T CB -0.697 68.216 68.868 0.075 0.000 2.889 258 T HN 0.529 nan 8.240 nan 0.000 0.955 259 Q N 1.146 121.034 119.800 0.146 0.000 2.297 259 Q HA 0.074 4.413 4.340 -0.002 0.000 0.208 259 Q C 2.142 178.216 176.000 0.124 0.000 0.981 259 Q CA 1.607 57.476 55.803 0.110 0.000 0.876 259 Q CB -0.737 28.060 28.738 0.099 0.000 0.921 259 Q HN 1.116 nan 8.270 nan 0.000 0.446 260 G N 0.517 109.432 108.800 0.192 0.000 2.141 260 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.231 260 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.231 260 G C 0.016 175.062 174.900 0.243 0.000 0.984 260 G CA 0.405 45.600 45.100 0.158 0.000 0.660 260 G HN 0.323 nan 8.290 nan 0.000 0.525 261 K N -0.671 119.896 120.400 0.278 0.000 0.000 261 K HA 0.736 5.055 4.320 -0.002 0.000 0.000 261 K C 0.615 177.491 176.600 0.460 0.000 0.000 261 K CA -0.899 55.558 56.287 0.285 0.000 0.000 261 K CB 1.105 33.713 32.500 0.180 0.000 0.000 261 K HN 0.146 nan 8.250 nan 0.000 0.000 262 I N 1.110 121.894 120.570 0.357 0.000 2.428 262 I HA 0.045 4.214 4.170 -0.002 0.000 0.289 262 I C 0.524 176.726 176.117 0.141 0.000 1.019 262 I CA 0.287 61.751 61.300 0.273 0.000 1.351 262 I CB 1.492 39.601 38.000 0.182 0.000 1.412 262 I HN 0.761 nan 8.210 nan 0.000 0.513 263 A N 4.568 127.433 122.820 0.075 0.000 2.324 263 A HA 0.672 4.991 4.320 -0.002 0.000 0.220 263 A C 0.689 178.300 177.584 0.046 0.000 1.209 263 A CA 0.421 52.501 52.037 0.072 0.000 0.918 263 A CB 0.242 19.299 19.000 0.094 0.000 0.959 263 A HN 0.935 nan 8.150 nan 0.000 0.507 264 G N -2.265 106.540 108.800 0.008 0.000 2.351 264 G HA2 0.580 4.539 3.960 -0.002 0.000 0.353 264 G HA3 0.580 4.539 3.960 -0.002 0.000 0.353 264 G C -0.835 174.033 174.900 -0.053 0.000 1.358 264 G CA -0.184 44.920 45.100 0.006 0.000 0.995 264 G HN 1.552 nan 8.290 nan 0.000 0.611 265 A N -0.372 122.413 122.820 -0.059 0.000 2.593 265 A HA 0.943 5.262 4.320 -0.002 0.000 0.290 265 A C -1.336 176.206 177.584 -0.069 0.000 1.126 265 A CA 0.360 52.292 52.037 -0.175 0.000 0.695 265 A CB 2.057 20.938 19.000 -0.199 0.000 1.290 265 A HN 2.036 nan 8.150 nan 0.000 0.414 266 D N -0.833 119.509 120.400 -0.097 0.000 2.732 266 D HA 0.645 5.284 4.640 -0.002 0.000 0.229 266 D C -1.084 175.186 176.300 -0.050 0.000 1.152 266 D CA -0.335 53.647 54.000 -0.030 0.000 0.854 266 D CB 0.952 41.782 40.800 0.050 0.000 1.590 266 D HN 0.268 nan 8.370 nan 0.000 0.468 267 I N 0.395 120.950 120.570 -0.026 0.000 2.648 267 I HA 0.625 4.794 4.170 -0.002 0.000 0.304 267 I C -0.266 175.879 176.117 0.046 0.000 1.009 267 I CA -0.868 60.437 61.300 0.008 0.000 1.114 267 I CB 1.688 39.681 38.000 -0.012 0.000 1.293 267 I HN 0.441 nan 8.210 nan 0.000 0.449 268 E N 1.534 121.826 120.200 0.155 0.000 2.292 268 E HA 0.706 5.055 4.350 -0.002 0.000 0.272 268 E C -1.094 175.725 176.600 0.366 0.000 0.881 268 E CA -0.542 55.978 56.400 0.201 0.000 0.754 268 E CB 1.766 31.677 29.700 0.352 0.000 1.201 268 E HN 0.708 nan 8.360 nan 0.000 0.425 269 T N 0.344 115.044 114.554 0.242 0.000 2.907 269 T HA 0.760 5.109 4.350 -0.002 0.000 0.292 269 T C -1.257 173.761 174.700 0.530 0.000 1.043 269 T CA -0.552 61.786 62.100 0.396 0.000 1.003 269 T CB 0.680 69.570 68.868 0.038 0.000 1.084 269 T HN 0.258 nan 8.240 nan 0.000 0.483 270 Y N 0.928 121.365 120.300 0.227 0.000 2.534 270 Y HA 0.566 5.115 4.550 -0.002 0.000 0.345 270 Y C 0.490 176.515 175.900 0.208 0.000 1.031 270 Y CA -2.537 55.701 58.100 0.230 0.000 1.022 270 Y CB 1.396 40.019 38.460 0.273 0.000 1.292 270 Y HN 0.821 nan 8.280 nan 0.000 0.459 271 L N 1.502 122.899 121.223 0.289 0.000 3.742 271 L HA -0.244 4.095 4.340 -0.002 0.000 0.431 271 L C -0.261 176.699 176.870 0.149 0.000 1.220 271 L CA -0.019 54.902 54.840 0.135 0.000 0.863 271 L CB -1.075 41.005 42.059 0.035 0.000 1.751 271 L HN 0.479 nan 8.230 nan 0.000 0.922 272 L N 1.631 122.931 121.223 0.128 0.000 2.628 272 L HA -0.016 4.324 4.340 -0.002 0.000 0.274 272 L C 1.245 178.183 176.870 0.115 0.000 1.209 272 L CA 0.801 55.674 54.840 0.054 0.000 0.930 272 L CB 0.414 42.397 42.059 -0.127 0.000 1.183 272 L HN 0.233 nan 8.230 nan 0.000 0.492 273 E N 4.335 124.651 120.200 0.193 0.000 2.341 273 E HA -0.063 4.286 4.350 -0.002 0.000 0.256 273 E C 0.651 177.397 176.600 0.243 0.000 1.125 273 E CA 0.268 56.797 56.400 0.215 0.000 0.939 273 E CB 0.454 30.303 29.700 0.248 0.000 0.991 273 E HN 0.629 nan 8.360 nan 0.000 0.458 274 K N 1.966 122.472 120.400 0.177 0.000 2.137 274 K HA -0.102 4.217 4.320 -0.002 0.000 0.202 274 K C 2.154 178.854 176.600 0.166 0.000 1.052 274 K CA 1.023 57.408 56.287 0.164 0.000 0.961 274 K CB 0.090 32.666 32.500 0.128 0.000 0.741 274 K HN 0.588 nan 8.250 nan 0.000 0.452 275 S N 1.636 117.433 115.700 0.162 0.000 2.380 275 S HA -0.235 4.234 4.470 -0.002 0.000 0.229 275 S C 1.737 176.453 174.600 0.193 0.000 1.043 275 S CA 1.224 59.523 58.200 0.166 0.000 1.038 275 S CB -0.576 62.727 63.200 0.171 0.000 0.872 275 S HN 0.314 nan 8.310 nan 0.000 0.456 276 R N 1.174 121.780 120.500 0.178 0.000 2.341 276 R HA 0.076 4.415 4.340 -0.002 0.000 0.213 276 R C 1.985 178.337 176.300 0.087 0.000 1.082 276 R CA 0.911 57.069 56.100 0.098 0.000 1.017 276 R CB -0.961 29.274 30.300 -0.108 0.000 0.860 276 R HN 0.416 nan 8.270 nan 0.000 0.473 277 V N 1.177 121.141 119.914 0.083 0.000 2.324 277 V HA -0.248 3.871 4.120 -0.002 0.000 0.250 277 V C 2.315 178.249 176.094 -0.267 0.000 1.060 277 V CA 2.436 64.674 62.300 -0.104 0.000 1.042 277 V CB -0.727 30.981 31.823 -0.192 0.000 0.650 277 V HN 0.562 nan 8.190 nan 0.000 0.450 278 T N -4.802 109.659 114.554 -0.156 0.000 3.044 278 T HA 0.220 4.569 4.350 -0.002 0.000 0.260 278 T C -0.213 174.714 174.700 0.379 0.000 1.019 278 T CA -0.137 61.985 62.100 0.035 0.000 0.921 278 T CB 0.035 68.959 68.868 0.093 0.000 1.053 278 T HN 0.366 nan 8.240 nan 0.000 0.533 279 Y N 1.484 121.847 120.300 0.105 0.000 2.470 279 Y HA 0.610 5.159 4.550 -0.002 0.000 0.341 279 Y C -1.887 174.048 175.900 0.059 0.000 1.021 279 Y CA -1.171 56.986 58.100 0.096 0.000 1.025 279 Y CB 1.927 40.435 38.460 0.079 0.000 1.266 279 Y HN 0.120 nan 8.280 nan 0.000 0.448 280 Q N 4.417 123.773 119.800 -0.739 0.000 2.263 280 Q HA 0.353 4.692 4.340 -0.002 0.000 0.266 280 Q C -1.039 174.521 176.000 -0.733 0.000 1.002 280 Q CA -0.855 54.590 55.803 -0.597 0.000 0.790 280 Q CB 2.710 31.320 28.738 -0.213 0.000 1.272 280 Q HN 0.688 nan 8.270 nan 0.000 0.435 281 Q N 0.427 119.874 119.800 -0.587 0.000 2.614 281 Q HA 0.064 4.403 4.340 -0.002 0.000 0.244 281 Q C 0.733 176.621 176.000 -0.187 0.000 1.097 281 Q CA 0.336 55.941 55.803 -0.330 0.000 0.986 281 Q CB 0.523 29.177 28.738 -0.140 0.000 1.308 281 Q HN 0.749 nan 8.270 nan 0.000 0.546 282 S N 0.555 116.196 115.700 -0.099 0.000 2.389 282 S HA -0.318 4.151 4.470 -0.002 0.000 0.229 282 S C 1.663 176.221 174.600 -0.069 0.000 1.048 282 S CA 1.749 59.910 58.200 -0.066 0.000 1.117 282 S CB -0.512 62.666 63.200 -0.035 0.000 1.020 282 S HN 0.749 nan 8.310 nan 0.000 0.430 283 A N 1.209 123.992 122.820 -0.062 0.000 1.929 283 A HA 0.035 4.354 4.320 -0.002 0.000 0.216 283 A C 1.288 178.829 177.584 -0.073 0.000 1.176 283 A CA 0.619 52.621 52.037 -0.059 0.000 0.628 283 A CB -0.333 18.640 19.000 -0.046 0.000 0.816 283 A HN 0.551 nan 8.150 nan 0.000 0.444 284 E N -0.942 119.207 120.200 -0.085 0.000 2.973 284 E HA 0.294 4.643 4.350 -0.002 0.000 0.279 284 E C 0.349 176.889 176.600 -0.101 0.000 1.473 284 E CA -0.084 56.261 56.400 -0.093 0.000 1.251 284 E CB 0.255 29.892 29.700 -0.104 0.000 1.063 284 E HN 0.381 nan 8.360 nan 0.000 0.685 285 R N -0.169 120.274 120.500 -0.094 0.000 2.747 285 R HA 0.230 4.570 4.340 -0.002 0.000 0.272 285 R C -1.291 175.017 176.300 0.012 0.000 1.032 285 R CA -0.543 55.520 56.100 -0.060 0.000 0.896 285 R CB 1.460 31.657 30.300 -0.172 0.000 1.253 285 R HN 0.559 nan 8.270 nan 0.000 0.461 286 N N -0.003 118.859 118.700 0.270 0.000 2.482 286 N HA 0.212 4.951 4.740 -0.002 0.000 0.279 286 N C -0.965 174.741 175.510 0.326 0.000 1.182 286 N CA -0.439 52.758 53.050 0.244 0.000 0.969 286 N CB 0.539 39.241 38.487 0.360 0.000 1.201 286 N HN 0.298 nan 8.380 nan 0.000 0.523 287 Y N 2.152 122.614 120.300 0.271 0.000 2.981 287 Y HA -0.155 4.394 4.550 -0.002 0.000 0.359 287 Y C 1.567 177.590 175.900 0.204 0.000 1.271 287 Y CA 0.519 58.689 58.100 0.117 0.000 1.617 287 Y CB -0.233 38.253 38.460 0.042 0.000 1.154 287 Y HN 0.579 nan 8.280 nan 0.000 0.570 288 H N 1.979 121.192 119.070 0.239 0.000 2.525 288 H HA -0.252 4.303 4.556 -0.002 0.000 0.295 288 H C 2.145 177.535 175.328 0.104 0.000 1.114 288 H CA 1.620 57.804 56.048 0.226 0.000 1.206 288 H CB 0.009 29.831 29.762 0.101 0.000 1.352 288 H HN 0.728 nan 8.280 nan 0.000 0.547 289 I N -0.342 120.203 120.570 -0.042 0.000 2.617 289 I HA -0.195 3.974 4.170 -0.002 0.000 0.256 289 I C 1.556 177.482 176.117 -0.318 0.000 1.167 289 I CA 0.688 61.802 61.300 -0.311 0.000 1.469 289 I CB -0.296 37.248 38.000 -0.761 0.000 1.098 289 I HN 0.069 nan 8.210 nan 0.000 0.436 290 F N 0.270 120.122 119.950 -0.163 0.000 2.134 290 F HA -0.270 4.256 4.527 -0.001 0.000 0.299 290 F C 2.329 177.892 175.800 -0.394 0.000 1.097 290 F CA 1.565 59.358 58.000 -0.346 0.000 1.264 290 F CB -0.847 37.820 39.000 -0.556 0.000 1.001 290 F HN 0.043 nan 8.300 nan 0.000 0.479 291 Y N 0.476 120.874 120.300 0.164 0.000 2.224 291 Y HA -0.250 4.299 4.550 -0.002 0.000 0.289 291 Y C 2.412 178.324 175.900 0.021 0.000 1.146 291 Y CA 1.246 59.394 58.100 0.081 0.000 1.182 291 Y CB -0.927 37.570 38.460 0.062 0.000 0.983 291 Y HN 0.140 nan 8.280 nan 0.000 0.524 292 Q N -0.157 119.706 119.800 0.106 0.000 2.297 292 Q HA -0.103 4.236 4.340 -0.002 0.000 0.204 292 Q C 2.132 178.124 176.000 -0.014 0.000 0.962 292 Q CA 1.062 56.885 55.803 0.033 0.000 0.879 292 Q CB -0.196 28.546 28.738 0.007 0.000 0.947 292 Q HN 0.545 nan 8.270 nan 0.000 0.462 293 L N 0.328 121.521 121.223 -0.050 0.000 2.068 293 L HA -0.084 4.256 4.340 -0.002 0.000 0.204 293 L C 1.886 178.731 176.870 -0.042 0.000 1.076 293 L CA 0.739 55.528 54.840 -0.085 0.000 0.753 293 L CB -0.038 41.960 42.059 -0.101 0.000 0.910 293 L HN 0.211 nan 8.230 nan 0.000 0.439 294 L N -0.460 120.748 121.223 -0.026 0.000 2.650 294 L HA 0.010 4.349 4.340 -0.002 0.000 0.235 294 L C 1.219 178.103 176.870 0.023 0.000 1.149 294 L CA -0.330 54.510 54.840 -0.000 0.000 0.887 294 L CB -0.561 41.499 42.059 0.001 0.000 1.021 294 L HN 0.176 nan 8.230 nan 0.000 0.441 295 S N 0.524 116.230 115.700 0.009 0.000 2.580 295 S HA 0.215 4.684 4.470 -0.002 0.000 0.274 295 S C -1.096 173.483 174.600 -0.035 0.000 1.329 295 S CA -1.226 56.971 58.200 -0.006 0.000 1.036 295 S CB 1.013 64.199 63.200 -0.023 0.000 0.919 295 S HN -0.030 nan 8.310 nan 0.000 0.515 296 P HA -0.084 nan 4.420 nan 0.000 0.221 296 P C 1.481 178.698 177.300 -0.138 0.000 1.145 296 P CA 1.500 64.562 63.100 -0.063 0.000 0.795 296 P CB -0.419 31.249 31.700 -0.054 0.000 0.775 297 A N 0.079 122.765 122.820 -0.224 0.000 1.894 297 A HA -0.205 4.114 4.320 -0.002 0.000 0.220 297 A C 1.028 178.155 177.584 -0.762 0.000 1.237 297 A CA 1.628 53.355 52.037 -0.516 0.000 0.660 297 A CB -1.609 17.056 19.000 -0.558 0.000 0.835 297 A HN 0.258 nan 8.150 nan 0.000 0.461 298 F N -0.980 118.961 119.950 -0.014 0.000 2.443 298 F HA 0.355 4.881 4.527 -0.002 0.000 0.369 298 F C -1.743 174.057 175.800 -0.000 0.000 1.090 298 F CA -2.009 55.989 58.000 -0.004 0.000 1.129 298 F CB 1.577 40.570 39.000 -0.013 0.000 1.367 298 F HN 0.033 nan 8.300 nan 0.000 0.465 299 P HA -0.231 nan 4.420 nan 0.000 0.206 299 P C 1.369 178.735 177.300 0.110 0.000 1.142 299 P CA 1.875 65.032 63.100 0.094 0.000 0.946 299 P CB 0.277 32.022 31.700 0.076 0.000 0.777 300 E N -0.881 119.392 120.200 0.122 0.000 2.055 300 E HA -0.298 4.051 4.350 -0.002 0.000 0.209 300 E C 1.905 178.571 176.600 0.110 0.000 1.036 300 E CA 1.874 58.337 56.400 0.105 0.000 0.849 300 E CB -0.776 28.987 29.700 0.105 0.000 0.767 300 E HN 0.178 nan 8.360 nan 0.000 0.461 301 N N 0.355 119.135 118.700 0.134 0.000 2.165 301 N HA -0.229 4.510 4.740 -0.002 0.000 0.198 301 N C 1.649 177.212 175.510 0.088 0.000 0.999 301 N CA 1.334 54.452 53.050 0.113 0.000 0.893 301 N CB -0.276 38.265 38.487 0.091 0.000 1.025 301 N HN 0.260 nan 8.380 nan 0.000 0.456 302 I N 0.548 121.167 120.570 0.081 0.000 2.315 302 I HA -0.178 3.991 4.170 -0.002 0.000 0.248 302 I C 1.870 178.036 176.117 0.082 0.000 1.117 302 I CA 0.875 62.216 61.300 0.068 0.000 1.404 302 I CB -0.280 37.756 38.000 0.060 0.000 1.071 302 I HN 0.129 nan 8.210 nan 0.000 0.419 303 E N 1.759 122.004 120.200 0.076 0.000 2.038 303 E HA -0.222 4.127 4.350 -0.002 0.000 0.195 303 E C 2.081 178.719 176.600 0.063 0.000 1.000 303 E CA 1.350 57.786 56.400 0.061 0.000 0.803 303 E CB -0.391 29.340 29.700 0.052 0.000 0.750 303 E HN 0.527 nan 8.360 nan 0.000 0.448 304 K N 0.756 121.211 120.400 0.091 0.000 2.063 304 K HA -0.104 4.215 4.320 -0.002 0.000 0.208 304 K C 2.265 178.956 176.600 0.153 0.000 1.048 304 K CA 1.497 57.856 56.287 0.120 0.000 0.928 304 K CB -0.484 32.101 32.500 0.142 0.000 0.713 304 K HN 0.292 nan 8.250 nan 0.000 0.442 305 I N -0.595 120.073 120.570 0.163 0.000 3.686 305 I HA 0.069 4.238 4.170 -0.002 0.000 0.308 305 I C -0.342 175.923 176.117 0.247 0.000 1.254 305 I CA -0.024 61.402 61.300 0.209 0.000 1.175 305 I CB -0.541 37.571 38.000 0.188 0.000 1.009 305 I HN 0.046 nan 8.210 nan 0.000 0.459 306 L N 1.166 122.481 121.223 0.153 0.000 3.823 306 L HA -0.269 4.070 4.340 -0.002 0.000 0.525 306 L C 0.297 177.354 176.870 0.312 0.000 1.247 306 L CA 0.459 55.379 54.840 0.133 0.000 0.776 306 L CB -1.821 40.228 42.059 -0.017 0.000 1.443 306 L HN 0.730 nan 8.230 nan 0.000 0.831 307 A N 0.545 123.491 122.820 0.211 0.000 2.524 307 A HA 0.992 5.311 4.320 -0.002 0.000 0.286 307 A C -0.417 177.276 177.584 0.183 0.000 1.203 307 A CA 0.010 52.171 52.037 0.207 0.000 0.736 307 A CB 2.195 21.200 19.000 0.007 0.000 1.322 307 A HN 0.643 nan 8.150 nan 0.000 0.424 308 V N -2.793 117.272 119.914 0.252 0.000 2.525 308 V HA 0.573 4.692 4.120 -0.002 0.000 0.299 308 V C -2.872 173.330 176.094 0.180 0.000 1.034 308 V CA -2.318 60.086 62.300 0.172 0.000 0.863 308 V CB 1.119 33.016 31.823 0.124 0.000 0.999 308 V HN 0.571 nan 8.190 nan 0.000 0.423 309 P HA 0.032 nan 4.420 nan 0.000 0.116 309 P C -0.387 176.972 177.300 0.099 0.000 0.836 309 P CA 1.207 64.359 63.100 0.086 0.000 1.148 309 P CB -0.341 31.391 31.700 0.053 0.000 1.585 310 D N 1.891 122.384 120.400 0.155 0.000 2.926 310 D HA 0.016 4.655 4.640 -0.002 0.000 0.234 310 D C -2.027 174.398 176.300 0.209 0.000 1.434 310 D CA -1.050 53.032 54.000 0.136 0.000 0.951 310 D CB 0.757 41.602 40.800 0.075 0.000 1.500 310 D HN 0.057 nan 8.370 nan 0.000 0.558 311 P HA -0.105 nan 4.420 nan 0.000 0.229 311 P C 1.143 178.572 177.300 0.215 0.000 1.147 311 P CA 0.733 63.974 63.100 0.236 0.000 0.766 311 P CB 0.117 31.977 31.700 0.266 0.000 0.775 312 G N 0.184 109.063 108.800 0.133 0.000 2.459 312 G HA2 -0.068 3.891 3.960 -0.002 0.000 0.213 312 G HA3 -0.068 3.891 3.960 -0.002 0.000 0.213 312 G C 1.475 176.355 174.900 -0.033 0.000 1.155 312 G CA -0.100 45.031 45.100 0.051 0.000 0.811 312 G HN 0.246 nan 8.290 nan 0.000 0.534 313 L N -0.067 121.062 121.223 -0.156 0.000 2.622 313 L HA 0.153 4.492 4.340 -0.002 0.000 0.233 313 L C -0.001 176.522 176.870 -0.580 0.000 1.156 313 L CA 0.159 54.742 54.840 -0.427 0.000 0.866 313 L CB -0.358 41.300 42.059 -0.670 0.000 0.980 313 L HN 0.161 nan 8.230 nan 0.000 0.448 314 Y N -0.398 119.858 120.300 -0.073 0.000 2.478 314 Y HA 0.342 4.891 4.550 -0.001 0.000 0.329 314 Y C 1.593 177.422 175.900 -0.117 0.000 0.967 314 Y CA -0.672 57.363 58.100 -0.108 0.000 1.255 314 Y CB 1.040 39.419 38.460 -0.135 0.000 1.103 314 Y HN -0.049 nan 8.280 nan 0.000 0.497 315 G N 2.290 111.045 108.800 -0.075 0.000 2.681 315 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.224 315 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.224 315 G C 1.175 175.999 174.900 -0.127 0.000 1.100 315 G CA 1.014 46.014 45.100 -0.167 0.000 0.743 315 G HN 0.694 nan 8.290 nan 0.000 0.612 316 F N -0.483 119.442 119.950 -0.042 0.000 2.797 316 F HA 0.376 4.902 4.527 -0.001 0.000 0.302 316 F C 2.045 177.733 175.800 -0.187 0.000 1.130 316 F CA -0.291 57.636 58.000 -0.123 0.000 1.387 316 F CB 0.306 39.184 39.000 -0.204 0.000 1.107 316 F HN 0.125 nan 8.300 nan 0.000 0.577 317 I N -0.977 119.621 120.570 0.046 0.000 3.673 317 I HA -0.035 4.134 4.170 -0.002 0.000 0.281 317 I C -0.027 176.179 176.117 0.148 0.000 1.182 317 I CA -0.067 61.254 61.300 0.035 0.000 1.391 317 I CB -0.012 37.948 38.000 -0.067 0.000 1.383 317 I HN -0.067 nan 8.210 nan 0.000 0.456 318 N N 2.273 121.037 118.700 0.107 0.000 2.482 318 N HA 0.152 4.891 4.740 -0.002 0.000 0.242 318 N C -0.101 175.429 175.510 0.032 0.000 1.100 318 N CA 0.065 53.164 53.050 0.081 0.000 0.946 318 N CB 0.821 39.339 38.487 0.052 0.000 1.227 318 N HN 0.334 nan 8.380 nan 0.000 0.508 319 Q N 0.228 120.036 119.800 0.013 0.000 1.921 319 Q HA 0.238 4.577 4.340 -0.002 0.000 0.192 319 Q C 0.061 176.028 176.000 -0.056 0.000 0.755 319 Q CA -0.087 55.701 55.803 -0.025 0.000 0.904 319 Q CB 1.154 29.864 28.738 -0.047 0.000 1.222 319 Q HN 0.700 nan 8.270 nan 0.000 0.417 320 G N -0.076 108.700 108.800 -0.040 0.000 3.111 320 G HA2 0.296 4.255 3.960 -0.002 0.000 0.158 320 G HA3 0.296 4.255 3.960 -0.002 0.000 0.158 320 G C -0.142 174.733 174.900 -0.041 0.000 1.161 320 G CA -0.043 45.022 45.100 -0.058 0.000 1.025 320 G HN 0.017 nan 8.290 nan 0.000 0.619 321 T N 0.161 114.674 114.554 -0.069 0.000 2.773 321 T HA 0.488 4.837 4.350 -0.002 0.000 0.337 321 T C 0.766 175.407 174.700 -0.098 0.000 1.086 321 T CA 0.062 62.108 62.100 -0.091 0.000 0.998 321 T CB 0.427 69.215 68.868 -0.133 0.000 1.281 321 T HN 0.266 nan 8.240 nan 0.000 0.525 322 L N -0.061 121.071 121.223 -0.151 0.000 4.013 322 L HA 0.218 4.557 4.340 -0.002 0.000 0.387 322 L C -0.176 176.575 176.870 -0.197 0.000 1.204 322 L CA -0.207 54.557 54.840 -0.126 0.000 1.313 322 L CB 0.456 42.538 42.059 0.037 0.000 1.538 322 L HN 0.983 nan 8.230 nan 0.000 0.625 323 T N -2.290 112.127 114.554 -0.230 0.000 2.977 323 T HA 0.568 4.918 4.350 -0.002 0.000 0.345 323 T C -0.884 173.709 174.700 -0.179 0.000 1.562 323 T CA -0.550 61.439 62.100 -0.185 0.000 1.090 323 T CB 2.598 71.403 68.868 -0.104 0.000 1.383 323 T HN -0.237 nan 8.240 nan 0.000 0.484 324 V N 1.991 121.802 119.914 -0.171 0.000 2.628 324 V HA 0.361 4.480 4.120 -0.002 0.000 0.306 324 V C 1.123 177.156 176.094 -0.101 0.000 1.045 324 V CA -0.577 61.639 62.300 -0.140 0.000 0.905 324 V CB 1.756 33.480 31.823 -0.165 0.000 0.997 324 V HN 1.107 nan 8.190 nan 0.000 0.436 325 D N 3.717 124.071 120.400 -0.078 0.000 2.191 325 D HA -0.160 4.479 4.640 -0.002 0.000 0.195 325 D C 1.789 178.056 176.300 -0.055 0.000 1.003 325 D CA 2.153 56.116 54.000 -0.060 0.000 0.867 325 D CB 0.153 40.922 40.800 -0.051 0.000 0.926 325 D HN 0.798 nan 8.370 nan 0.000 0.450 326 G N -1.158 107.607 108.800 -0.058 0.000 3.159 326 G HA2 0.240 4.199 3.960 -0.002 0.000 0.232 326 G HA3 0.240 4.199 3.960 -0.002 0.000 0.232 326 G C 0.601 175.463 174.900 -0.063 0.000 1.116 326 G CA -0.281 44.790 45.100 -0.049 0.000 0.767 326 G HN 0.166 nan 8.290 nan 0.000 0.547 327 I N 0.753 121.268 120.570 -0.092 0.000 2.353 327 I HA 0.260 4.429 4.170 -0.002 0.000 0.293 327 I C -0.841 175.224 176.117 -0.086 0.000 0.992 327 I CA -0.704 60.531 61.300 -0.108 0.000 1.268 327 I CB 1.958 39.847 38.000 -0.184 0.000 1.387 327 I HN -0.202 nan 8.210 nan 0.000 0.478 328 D N 5.125 125.484 120.400 -0.068 0.000 2.781 328 D HA 0.091 4.730 4.640 -0.002 0.000 0.254 328 D C 0.849 177.119 176.300 -0.050 0.000 1.213 328 D CA -0.171 53.797 54.000 -0.052 0.000 0.994 328 D CB 0.253 41.028 40.800 -0.042 0.000 1.019 328 D HN 0.358 nan 8.370 nan 0.000 0.514 329 D N 0.907 121.277 120.400 -0.050 0.000 2.244 329 D HA -0.235 4.404 4.640 -0.002 0.000 0.197 329 D C 1.440 177.724 176.300 -0.026 0.000 1.006 329 D CA 1.116 55.101 54.000 -0.026 0.000 0.888 329 D CB 0.344 41.153 40.800 0.015 0.000 0.912 329 D HN 0.610 nan 8.370 nan 0.000 0.452 330 E N 0.281 120.456 120.200 -0.041 0.000 2.077 330 E HA -0.165 4.184 4.350 -0.002 0.000 0.193 330 E C 2.022 178.577 176.600 -0.074 0.000 0.989 330 E CA 0.654 57.011 56.400 -0.071 0.000 0.800 330 E CB 0.021 29.673 29.700 -0.080 0.000 0.746 330 E HN 0.430 nan 8.360 nan 0.000 0.452 331 E N 0.751 120.920 120.200 -0.051 0.000 2.001 331 E HA -0.200 4.149 4.350 -0.002 0.000 0.193 331 E C 1.911 178.502 176.600 -0.015 0.000 0.994 331 E CA 0.747 57.126 56.400 -0.035 0.000 0.815 331 E CB 0.181 29.865 29.700 -0.027 0.000 0.770 331 E HN 0.066 nan 8.360 nan 0.000 0.453 332 E N 0.570 120.761 120.200 -0.015 0.000 2.170 332 E HA -0.333 4.016 4.350 -0.002 0.000 0.229 332 E C 1.958 178.569 176.600 0.018 0.000 1.074 332 E CA 1.932 58.331 56.400 -0.002 0.000 0.930 332 E CB -0.830 28.864 29.700 -0.011 0.000 0.806 332 E HN 0.303 nan 8.360 nan 0.000 0.478 333 M N 0.629 120.242 119.600 0.023 0.000 2.539 333 M HA -0.167 4.312 4.480 -0.002 0.000 0.265 333 M C 2.269 178.663 176.300 0.157 0.000 1.064 333 M CA 2.738 58.084 55.300 0.076 0.000 1.077 333 M CB -1.341 31.300 32.600 0.068 0.000 1.246 333 M HN 0.181 nan 8.290 nan 0.000 0.470 334 G N 0.149 109.036 108.800 0.145 0.000 2.606 334 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.223 334 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.223 334 G C 1.523 176.514 174.900 0.151 0.000 1.106 334 G CA 1.609 46.837 45.100 0.214 0.000 0.745 334 G HN 0.545 nan 8.290 nan 0.000 0.597 335 L N -0.386 120.882 121.223 0.075 0.000 1.993 335 L HA -0.064 4.275 4.340 -0.002 0.000 0.206 335 L C 3.177 180.056 176.870 0.015 0.000 1.074 335 L CA 1.676 56.540 54.840 0.040 0.000 0.746 335 L CB -1.165 40.904 42.059 0.018 0.000 0.896 335 L HN 0.162 nan 8.230 nan 0.000 0.435 336 T N -0.667 113.882 114.554 -0.007 0.000 2.653 336 T HA -0.289 4.060 4.350 -0.002 0.000 0.268 336 T C 1.516 176.132 174.700 -0.139 0.000 1.035 336 T CA 2.100 64.135 62.100 -0.108 0.000 1.154 336 T CB -0.347 68.472 68.868 -0.082 0.000 0.862 336 T HN 0.302 nan 8.240 nan 0.000 0.441 337 D N -0.170 120.273 120.400 0.071 0.000 2.263 337 D HA -0.058 4.581 4.640 -0.002 0.000 0.208 337 D C 2.125 178.489 176.300 0.108 0.000 0.971 337 D CA 0.944 55.041 54.000 0.160 0.000 0.867 337 D CB -0.183 40.740 40.800 0.205 0.000 0.929 337 D HN 0.311 nan 8.370 nan 0.000 0.492 338 T N -0.923 113.669 114.554 0.063 0.000 2.814 338 T HA 0.069 4.418 4.350 -0.002 0.000 0.254 338 T C 1.890 176.600 174.700 0.016 0.000 1.037 338 T CA 1.222 63.357 62.100 0.059 0.000 1.143 338 T CB -0.396 68.509 68.868 0.062 0.000 0.866 338 T HN 0.202 nan 8.240 nan 0.000 0.431 339 A N 0.644 123.430 122.820 -0.057 0.000 2.042 339 A HA -0.126 4.193 4.320 -0.002 0.000 0.222 339 A C 1.947 179.480 177.584 -0.085 0.000 1.167 339 A CA 1.518 53.503 52.037 -0.088 0.000 0.649 339 A CB -1.113 17.792 19.000 -0.159 0.000 0.809 339 A HN 0.580 nan 8.150 nan 0.000 0.457 340 F N -0.255 119.593 119.950 -0.169 0.000 2.009 340 F HA -0.203 4.323 4.527 -0.002 0.000 0.293 340 F C 2.399 178.110 175.800 -0.148 0.000 1.156 340 F CA 0.926 58.694 58.000 -0.386 0.000 1.168 340 F CB -0.305 38.469 39.000 -0.377 0.000 0.981 340 F HN 0.178 nan 8.300 nan 0.000 0.475 341 D N 0.279 120.783 120.400 0.172 0.000 2.154 341 D HA -0.215 4.424 4.640 -0.002 0.000 0.190 341 D C 2.245 178.623 176.300 0.129 0.000 1.003 341 D CA 1.375 55.458 54.000 0.138 0.000 0.849 341 D CB -0.843 40.019 40.800 0.103 0.000 0.942 341 D HN 0.011 nan 8.370 nan 0.000 0.446 342 V N 0.650 120.625 119.914 0.101 0.000 2.252 342 V HA -0.230 3.889 4.120 -0.002 0.000 0.249 342 V C 2.349 178.516 176.094 0.122 0.000 1.056 342 V CA 1.294 63.648 62.300 0.089 0.000 1.022 342 V CB -0.413 31.448 31.823 0.062 0.000 0.641 342 V HN 0.281 nan 8.190 nan 0.000 0.445 343 L N 0.555 121.874 121.223 0.160 0.000 2.633 343 L HA 0.111 4.450 4.340 -0.002 0.000 0.235 343 L C 1.299 178.376 176.870 0.344 0.000 1.163 343 L CA 0.677 55.668 54.840 0.251 0.000 0.859 343 L CB -1.368 40.906 42.059 0.359 0.000 0.973 343 L HN 0.603 nan 8.230 nan 0.000 0.451 344 G N 0.531 109.497 108.800 0.277 0.000 2.381 344 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.281 344 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.281 344 G C -0.516 174.549 174.900 0.275 0.000 0.984 344 G CA -0.287 44.944 45.100 0.217 0.000 1.339 344 G HN 0.113 nan 8.290 nan 0.000 0.485 345 F N 0.098 120.032 119.950 -0.026 0.000 2.546 345 F HA 0.619 5.145 4.527 -0.002 0.000 0.320 345 F C 1.108 176.852 175.800 -0.093 0.000 1.076 345 F CA -0.708 57.232 58.000 -0.100 0.000 0.928 345 F CB 1.923 40.790 39.000 -0.222 0.000 1.189 345 F HN 0.187 nan 8.300 nan 0.000 0.465 346 T N 1.854 116.442 114.554 0.057 0.000 2.898 346 T HA 0.058 4.407 4.350 -0.002 0.000 0.301 346 T C 0.732 175.432 174.700 0.000 0.000 1.049 346 T CA -0.467 61.641 62.100 0.014 0.000 1.095 346 T CB 0.692 69.547 68.868 -0.020 0.000 0.976 346 T HN 0.419 nan 8.240 nan 0.000 0.539 347 D N 1.320 121.718 120.400 -0.002 0.000 2.116 347 D HA -0.128 4.511 4.640 -0.002 0.000 0.193 347 D C 2.042 178.319 176.300 -0.038 0.000 0.998 347 D CA 1.192 55.183 54.000 -0.015 0.000 0.836 347 D CB 0.010 40.811 40.800 0.001 0.000 0.951 347 D HN 0.540 nan 8.370 nan 0.000 0.449 348 E N 1.025 121.208 120.200 -0.028 0.000 2.085 348 E HA -0.169 4.180 4.350 -0.002 0.000 0.194 348 E C 2.048 178.608 176.600 -0.067 0.000 0.994 348 E CA 0.737 57.115 56.400 -0.037 0.000 0.801 348 E CB -0.287 29.397 29.700 -0.028 0.000 0.743 348 E HN 0.556 nan 8.360 nan 0.000 0.453 349 E N 0.845 121.011 120.200 -0.056 0.000 2.110 349 E HA -0.162 4.188 4.350 -0.002 0.000 0.193 349 E C 2.127 178.640 176.600 -0.146 0.000 0.988 349 E CA 0.776 57.149 56.400 -0.045 0.000 0.804 349 E CB -0.082 29.625 29.700 0.010 0.000 0.745 349 E HN 0.194 nan 8.360 nan 0.000 0.458 350 K N 0.566 120.836 120.400 -0.216 0.000 1.985 350 K HA -0.163 4.156 4.320 -0.002 0.000 0.210 350 K C 2.226 178.497 176.600 -0.548 0.000 1.047 350 K CA 0.760 56.746 56.287 -0.501 0.000 0.932 350 K CB -0.301 31.972 32.500 -0.378 0.000 0.716 350 K HN -0.017 nan 8.250 nan 0.000 0.439 351 L N 1.600 122.677 121.223 -0.243 0.000 1.991 351 L HA -0.294 4.045 4.340 -0.002 0.000 0.221 351 L C 2.137 178.944 176.870 -0.106 0.000 1.079 351 L CA 1.847 56.645 54.840 -0.071 0.000 0.778 351 L CB -1.006 41.063 42.059 0.018 0.000 0.893 351 L HN 0.111 nan 8.230 nan 0.000 0.437 352 S N -1.214 114.402 115.700 -0.140 0.000 2.413 352 S HA -0.300 4.169 4.470 -0.002 0.000 0.237 352 S C 1.826 176.292 174.600 -0.224 0.000 1.044 352 S CA 1.999 60.099 58.200 -0.166 0.000 1.024 352 S CB -0.444 62.629 63.200 -0.213 0.000 0.829 352 S HN 0.549 nan 8.310 nan 0.000 0.475 353 M N -0.387 119.026 119.600 -0.311 0.000 2.558 353 M HA 0.169 4.648 4.480 -0.002 0.000 0.255 353 M C 1.040 177.356 176.300 0.026 0.000 1.113 353 M CA 1.064 56.211 55.300 -0.256 0.000 1.097 353 M CB -0.092 32.323 32.600 -0.309 0.000 1.426 353 M HN 0.367 nan 8.290 nan 0.000 0.488 354 Y N -0.474 119.879 120.300 0.087 0.000 2.239 354 Y HA 0.038 4.587 4.550 -0.002 0.000 0.293 354 Y C 2.141 178.120 175.900 0.132 0.000 1.126 354 Y CA 0.263 58.447 58.100 0.140 0.000 1.128 354 Y CB -0.161 38.373 38.460 0.123 0.000 1.066 354 Y HN 0.017 nan 8.280 nan 0.000 0.516 355 K N -0.145 120.421 120.400 0.277 0.000 2.127 355 K HA -0.259 4.060 4.320 -0.002 0.000 0.208 355 K C 2.019 178.737 176.600 0.198 0.000 1.047 355 K CA 1.724 58.144 56.287 0.221 0.000 0.927 355 K CB -0.557 32.044 32.500 0.167 0.000 0.716 355 K HN 0.350 nan 8.250 nan 0.000 0.450 356 C N 0.374 119.759 119.300 0.141 0.000 2.462 356 C HA -0.091 4.368 4.460 -0.002 0.000 0.278 356 C C 2.821 177.957 174.990 0.243 0.000 1.253 356 C CA 1.105 60.203 59.018 0.133 0.000 1.713 356 C CB -0.926 26.829 27.740 0.024 0.000 2.049 356 C HN 0.539 nan 8.230 nan 0.000 0.477 357 T N 0.751 115.488 114.554 0.306 0.000 2.685 357 T HA -0.151 4.198 4.350 -0.002 0.000 0.268 357 T C 1.919 176.865 174.700 0.411 0.000 1.034 357 T CA 1.998 64.356 62.100 0.430 0.000 1.149 357 T CB -0.760 68.340 68.868 0.386 0.000 0.860 357 T HN 0.723 nan 8.240 nan 0.000 0.449 358 G N 0.018 108.987 108.800 0.281 0.000 2.418 358 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.217 358 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.217 358 G C 1.886 176.907 174.900 0.202 0.000 1.158 358 G CA 0.894 46.098 45.100 0.174 0.000 0.771 358 G HN 0.550 nan 8.290 nan 0.000 0.545 359 C N 0.557 120.031 119.300 0.290 0.000 2.401 359 C HA 0.001 4.460 4.460 -0.002 0.000 0.286 359 C C 2.634 177.772 174.990 0.246 0.000 1.332 359 C CA 0.175 59.377 59.018 0.305 0.000 1.795 359 C CB -0.772 27.106 27.740 0.230 0.000 1.922 359 C HN 0.410 nan 8.230 nan 0.000 0.520 360 I N -0.301 120.389 120.570 0.200 0.000 2.761 360 I HA -0.066 4.103 4.170 -0.002 0.000 0.261 360 I C 2.174 178.330 176.117 0.065 0.000 1.198 360 I CA 1.265 62.633 61.300 0.114 0.000 1.482 360 I CB -0.670 37.416 38.000 0.145 0.000 1.100 360 I HN 0.388 nan 8.210 nan 0.000 0.445 361 L N -0.147 121.055 121.223 -0.035 0.000 1.971 361 L HA -0.178 4.161 4.340 -0.002 0.000 0.208 361 L C 2.658 179.568 176.870 0.067 0.000 1.083 361 L CA 1.065 55.798 54.840 -0.177 0.000 0.753 361 L CB -1.125 40.546 42.059 -0.646 0.000 0.893 361 L HN 0.244 nan 8.230 nan 0.000 0.436 362 H N 0.372 119.550 119.070 0.180 0.000 2.437 362 H HA -0.225 4.330 4.556 -0.002 0.000 0.296 362 H C 2.326 177.772 175.328 0.197 0.000 1.121 362 H CA 1.474 57.639 56.048 0.195 0.000 1.255 362 H CB -0.497 29.361 29.762 0.159 0.000 1.366 362 H HN 0.326 nan 8.280 nan 0.000 0.512 363 L N -0.226 121.218 121.223 0.368 0.000 1.970 363 L HA -0.131 4.208 4.340 -0.002 0.000 0.212 363 L C 2.729 179.810 176.870 0.353 0.000 1.071 363 L CA 1.489 56.566 54.840 0.395 0.000 0.751 363 L CB -0.865 41.471 42.059 0.462 0.000 0.889 363 L HN 0.325 nan 8.230 nan 0.000 0.432 364 G N -1.246 107.731 108.800 0.295 0.000 2.708 364 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.210 364 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.210 364 G C 1.162 175.901 174.900 -0.268 0.000 1.141 364 G CA 0.244 44.987 45.100 -0.596 0.000 0.788 364 G HN 0.232 nan 8.290 nan 0.000 0.531 365 E N -0.221 119.963 120.200 -0.027 0.000 2.501 365 E HA 0.239 4.588 4.350 -0.002 0.000 0.201 365 E C 0.905 177.464 176.600 -0.069 0.000 1.016 365 E CA -0.165 56.208 56.400 -0.046 0.000 0.920 365 E CB 0.158 29.876 29.700 0.031 0.000 1.023 365 E HN 0.443 nan 8.360 nan 0.000 0.474 366 M N 1.143 120.714 119.600 -0.049 0.000 2.235 366 M HA 0.233 4.712 4.480 -0.002 0.000 0.351 366 M C 0.171 176.183 176.300 -0.480 0.000 1.178 366 M CA 0.138 55.302 55.300 -0.227 0.000 1.143 366 M CB 0.866 33.427 32.600 -0.065 0.000 1.530 366 M HN -0.279 nan 8.290 nan 0.000 0.461 367 K N 1.767 121.741 120.400 -0.711 0.000 2.203 367 K HA 0.706 5.025 4.320 -0.002 0.000 0.251 367 K C -1.685 174.223 176.600 -1.153 0.000 0.944 367 K CA -0.756 55.128 56.287 -0.671 0.000 0.829 367 K CB 1.521 33.819 32.500 -0.336 0.000 1.125 367 K HN 0.525 nan 8.250 nan 0.000 0.430 368 W N 1.223 122.522 121.300 -0.002 0.000 2.820 368 W HA 0.464 5.123 4.660 -0.002 0.000 0.350 368 W C -0.617 175.902 176.519 0.001 0.000 1.116 368 W CA -0.684 56.663 57.345 0.004 0.000 1.146 368 W CB 1.735 31.201 29.460 0.009 0.000 1.433 368 W HN 0.549 nan 8.180 nan 0.000 0.561 369 K N 0.848 121.385 120.400 0.228 0.000 2.546 369 K HA 0.543 4.862 4.320 -0.002 0.000 0.264 369 K C -1.371 175.310 176.600 0.135 0.000 0.937 369 K CA -1.046 55.318 56.287 0.127 0.000 0.833 369 K CB 2.267 34.803 32.500 0.061 0.000 1.378 369 K HN 0.646 nan 8.250 nan 0.000 0.432 370 Q N 1.754 121.610 119.800 0.092 0.000 2.399 370 Q HA 0.483 4.822 4.340 -0.002 0.000 0.276 370 Q C -1.093 174.937 176.000 0.049 0.000 1.098 370 Q CA -1.142 54.706 55.803 0.074 0.000 0.827 370 Q CB 2.408 31.183 28.738 0.061 0.000 1.386 370 Q HN 0.777 nan 8.270 nan 0.000 0.443 371 R N 0.757 121.281 120.500 0.041 0.000 2.629 371 R HA 0.594 4.933 4.340 -0.002 0.000 0.277 371 R C -0.526 175.788 176.300 0.023 0.000 1.637 371 R CA 0.014 56.132 56.100 0.030 0.000 1.663 371 R CB 0.438 30.755 30.300 0.029 0.000 1.228 371 R HN 0.999 nan 8.270 nan 0.000 0.632 372 G N 1.700 110.512 108.800 0.020 0.000 2.862 372 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.686 372 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.686 372 G C 0.148 175.057 174.900 0.015 0.000 1.134 372 G CA -0.130 44.979 45.100 0.015 0.000 0.791 372 G HN 0.743 nan 8.290 nan 0.000 0.592 373 E N -0.177 120.029 120.200 0.010 0.000 2.378 373 E HA -0.267 4.082 4.350 -0.002 0.000 0.228 373 E C 0.537 177.140 176.600 0.005 0.000 1.332 373 E CA 1.470 57.873 56.400 0.005 0.000 1.033 373 E CB 0.034 29.733 29.700 -0.001 0.000 1.036 373 E HN 0.414 nan 8.360 nan 0.000 0.719 374 Q N -0.106 119.704 119.800 0.016 0.000 2.508 374 Q HA 0.387 4.726 4.340 -0.002 0.000 0.247 374 Q C -0.496 175.529 176.000 0.042 0.000 1.047 374 Q CA 0.026 55.842 55.803 0.021 0.000 0.783 374 Q CB 1.233 29.985 28.738 0.024 0.000 1.172 374 Q HN 0.343 nan 8.270 nan 0.000 0.515 375 A N 2.536 125.380 122.820 0.040 0.000 2.387 375 A HA 0.437 4.756 4.320 -0.002 0.000 0.251 375 A C -0.023 177.650 177.584 0.148 0.000 1.113 375 A CA 0.228 52.323 52.037 0.097 0.000 0.794 375 A CB 0.592 19.624 19.000 0.054 0.000 1.069 375 A HN 0.651 nan 8.150 nan 0.000 0.506 376 E N -1.500 118.863 120.200 0.273 0.000 2.380 376 E HA 0.477 4.826 4.350 -0.002 0.000 0.281 376 E C -0.341 176.490 176.600 0.385 0.000 0.999 376 E CA -0.526 56.038 56.400 0.274 0.000 0.800 376 E CB 1.877 31.662 29.700 0.143 0.000 1.228 376 E HN 0.958 nan 8.360 nan 0.000 0.436 377 A N 0.903 123.918 122.820 0.325 0.000 2.297 377 A HA 0.079 4.398 4.320 -0.002 0.000 0.279 377 A C 0.378 177.905 177.584 -0.095 0.000 1.219 377 A CA 1.106 53.134 52.037 -0.014 0.000 0.827 377 A CB 0.162 19.165 19.000 0.006 0.000 1.129 377 A HN 0.811 nan 8.150 nan 0.000 0.511 378 D N -3.497 116.777 120.400 -0.210 0.000 2.548 378 D HA 0.095 4.734 4.640 -0.002 0.000 0.223 378 D C 0.635 176.857 176.300 -0.130 0.000 1.346 378 D CA 0.806 54.722 54.000 -0.139 0.000 1.318 378 D CB -0.295 40.403 40.800 -0.170 0.000 1.669 378 D HN 0.700 nan 8.370 nan 0.000 0.416 379 G N 1.167 109.856 108.800 -0.186 0.000 3.288 379 G HA2 0.376 4.335 3.960 -0.002 0.000 0.337 379 G HA3 0.376 4.335 3.960 -0.002 0.000 0.337 379 G C 0.694 175.515 174.900 -0.131 0.000 1.142 379 G CA 0.057 45.075 45.100 -0.137 0.000 1.304 379 G HN 0.081 nan 8.290 nan 0.000 0.475 380 T N 2.139 116.644 114.554 -0.081 0.000 2.760 380 T HA -0.254 4.095 4.350 -0.002 0.000 0.269 380 T C 2.821 177.499 174.700 -0.037 0.000 1.047 380 T CA 1.759 63.833 62.100 -0.042 0.000 1.139 380 T CB -0.045 68.819 68.868 -0.008 0.000 0.855 380 T HN 0.649 nan 8.240 nan 0.000 0.471 381 A N 1.335 124.127 122.820 -0.045 0.000 1.954 381 A HA -0.308 4.011 4.320 -0.002 0.000 0.222 381 A C 2.118 179.679 177.584 -0.037 0.000 1.199 381 A CA 2.313 54.327 52.037 -0.039 0.000 0.657 381 A CB -0.623 18.351 19.000 -0.043 0.000 0.823 381 A HN 0.548 nan 8.150 nan 0.000 0.463 382 E N -0.603 119.571 120.200 -0.043 0.000 2.004 382 E HA 0.128 4.478 4.350 -0.002 0.000 0.192 382 E C 2.423 179.031 176.600 0.012 0.000 0.987 382 E CA 1.186 57.580 56.400 -0.009 0.000 0.822 382 E CB -0.645 29.041 29.700 -0.024 0.000 0.779 382 E HN 0.520 nan 8.360 nan 0.000 0.458 383 A N 1.364 124.204 122.820 0.034 0.000 2.023 383 A HA -0.381 3.939 4.320 -0.002 0.000 0.223 383 A C 1.953 179.576 177.584 0.066 0.000 1.180 383 A CA 2.246 54.337 52.037 0.090 0.000 0.659 383 A CB -0.853 18.224 19.000 0.129 0.000 0.817 383 A HN 0.305 nan 8.150 nan 0.000 0.466 384 E N -0.029 120.190 120.200 0.033 0.000 2.070 384 E HA -0.256 4.093 4.350 -0.002 0.000 0.197 384 E C 2.075 178.696 176.600 0.035 0.000 1.004 384 E CA 1.681 58.102 56.400 0.035 0.000 0.805 384 E CB -0.265 29.442 29.700 0.011 0.000 0.744 384 E HN 0.807 nan 8.360 nan 0.000 0.451 385 K N 0.839 121.213 120.400 -0.044 0.000 1.973 385 K HA -0.088 4.231 4.320 -0.002 0.000 0.210 385 K C 2.334 178.924 176.600 -0.016 0.000 1.045 385 K CA 1.375 57.585 56.287 -0.128 0.000 0.937 385 K CB -0.795 31.414 32.500 -0.485 0.000 0.721 385 K HN -0.063 nan 8.250 nan 0.000 0.438 386 V N 2.299 122.209 119.914 -0.007 0.000 2.311 386 V HA -0.370 3.749 4.120 -0.002 0.000 0.259 386 V C 2.648 178.815 176.094 0.122 0.000 1.086 386 V CA 2.314 64.681 62.300 0.112 0.000 1.078 386 V CB -1.070 30.849 31.823 0.159 0.000 0.668 386 V HN 0.541 nan 8.190 nan 0.000 0.452 387 A N -1.148 121.739 122.820 0.111 0.000 1.902 387 A HA -0.214 4.106 4.320 -0.002 0.000 0.217 387 A C 2.091 179.747 177.584 0.120 0.000 1.181 387 A CA 1.936 54.036 52.037 0.105 0.000 0.623 387 A CB -0.663 18.394 19.000 0.095 0.000 0.818 387 A HN 0.587 nan 8.150 nan 0.000 0.443 388 F N 0.229 120.181 119.950 0.002 0.000 2.502 388 F HA 0.006 4.532 4.527 -0.002 0.000 0.298 388 F C 1.638 177.447 175.800 0.015 0.000 1.111 388 F CA 0.889 58.891 58.000 0.003 0.000 1.445 388 F CB 0.018 39.011 39.000 -0.012 0.000 1.081 388 F HN 0.129 nan 8.300 nan 0.000 0.558 389 L N -0.332 121.032 121.223 0.235 0.000 2.056 389 L HA -0.116 4.223 4.340 -0.002 0.000 0.202 389 L C 2.165 179.056 176.870 0.034 0.000 1.086 389 L CA 0.734 55.677 54.840 0.171 0.000 0.758 389 L CB -1.058 41.128 42.059 0.212 0.000 0.912 389 L HN -0.001 nan 8.230 nan 0.000 0.446 390 L N 0.834 122.088 121.223 0.052 0.000 2.661 390 L HA -0.121 4.218 4.340 -0.002 0.000 0.236 390 L C 1.450 178.305 176.870 -0.025 0.000 1.176 390 L CA 0.729 55.580 54.840 0.018 0.000 0.836 390 L CB -1.560 40.525 42.059 0.044 0.000 0.960 390 L HN 0.702 nan 8.230 nan 0.000 0.455 391 G N 0.047 108.800 108.800 -0.078 0.000 2.187 391 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.261 391 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.261 391 G C 0.416 175.277 174.900 -0.064 0.000 1.000 391 G CA 0.489 45.515 45.100 -0.124 0.000 0.718 391 G HN 0.354 nan 8.290 nan 0.000 0.519 392 V N -3.137 116.762 119.914 -0.024 0.000 4.813 392 V HA 0.789 4.908 4.120 -0.002 0.000 0.275 392 V C 0.619 176.716 176.094 0.006 0.000 1.377 392 V CA -0.450 61.847 62.300 -0.005 0.000 0.774 392 V CB 1.354 33.184 31.823 0.011 0.000 1.308 392 V HN 0.517 nan 8.190 nan 0.000 0.426 393 N N -0.764 117.949 118.700 0.021 0.000 2.238 393 N HA 0.464 5.203 4.740 -0.002 0.000 0.302 393 N C 0.584 176.122 175.510 0.047 0.000 1.072 393 N CA 0.161 53.231 53.050 0.033 0.000 0.792 393 N CB 2.360 40.862 38.487 0.026 0.000 1.425 393 N HN 0.991 nan 8.380 nan 0.000 0.478 394 A N 3.411 126.265 122.820 0.057 0.000 1.862 394 A HA -0.161 4.158 4.320 -0.002 0.000 0.217 394 A C 1.888 179.512 177.584 0.067 0.000 1.251 394 A CA 2.647 54.724 52.037 0.067 0.000 0.673 394 A CB -1.813 17.224 19.000 0.062 0.000 0.843 394 A HN 0.853 nan 8.150 nan 0.000 0.458 395 G N -0.761 108.072 108.800 0.056 0.000 2.513 395 G HA2 -0.331 3.629 3.960 -0.002 0.000 0.219 395 G HA3 -0.331 3.629 3.960 -0.002 0.000 0.219 395 G C 1.144 176.073 174.900 0.049 0.000 1.160 395 G CA 1.517 46.649 45.100 0.053 0.000 0.767 395 G HN 0.526 nan 8.290 nan 0.000 0.571 396 D N -0.107 120.317 120.400 0.040 0.000 2.144 396 D HA -0.078 4.561 4.640 -0.002 0.000 0.199 396 D C 2.376 178.697 176.300 0.035 0.000 0.984 396 D CA 0.617 54.635 54.000 0.030 0.000 0.834 396 D CB -0.317 40.495 40.800 0.021 0.000 0.955 396 D HN 0.284 nan 8.370 nan 0.000 0.465 397 L N 0.643 121.894 121.223 0.048 0.000 1.976 397 L HA -0.112 4.228 4.340 -0.002 0.000 0.209 397 L C 2.240 179.149 176.870 0.065 0.000 1.071 397 L CA 1.445 56.319 54.840 0.057 0.000 0.746 397 L CB -0.773 41.332 42.059 0.077 0.000 0.890 397 L HN -0.010 nan 8.230 nan 0.000 0.432 398 L N -0.434 120.846 121.223 0.095 0.000 2.021 398 L HA -0.329 4.010 4.340 -0.002 0.000 0.215 398 L C 2.658 179.564 176.870 0.060 0.000 1.074 398 L CA 1.885 56.795 54.840 0.117 0.000 0.760 398 L CB -0.735 41.417 42.059 0.155 0.000 0.889 398 L HN 0.326 nan 8.230 nan 0.000 0.433 399 K N -0.443 119.987 120.400 0.049 0.000 1.988 399 K HA -0.252 4.067 4.320 -0.002 0.000 0.221 399 K C 2.097 178.703 176.600 0.009 0.000 1.053 399 K CA 2.164 58.469 56.287 0.030 0.000 0.959 399 K CB -0.631 31.886 32.500 0.028 0.000 0.728 399 K HN 0.414 nan 8.250 nan 0.000 0.447 400 C N 1.176 120.481 119.300 0.007 0.000 2.397 400 C HA -0.149 4.310 4.460 -0.002 0.000 0.282 400 C C 2.593 177.568 174.990 -0.025 0.000 1.252 400 C CA 0.572 59.587 59.018 -0.005 0.000 1.811 400 C CB -1.207 26.530 27.740 -0.004 0.000 2.027 400 C HN 0.394 nan 8.230 nan 0.000 0.503 401 L N -0.298 120.904 121.223 -0.036 0.000 2.049 401 L HA -0.050 4.289 4.340 -0.002 0.000 0.203 401 L C 2.626 179.408 176.870 -0.146 0.000 1.074 401 L CA 1.370 56.152 54.840 -0.096 0.000 0.749 401 L CB -0.349 41.648 42.059 -0.104 0.000 0.907 401 L HN 0.350 nan 8.230 nan 0.000 0.439 402 L N -1.063 120.096 121.223 -0.106 0.000 2.084 402 L HA -0.043 4.296 4.340 -0.002 0.000 0.202 402 L C 0.741 177.579 176.870 -0.054 0.000 1.074 402 L CA 1.012 55.795 54.840 -0.096 0.000 0.757 402 L CB -0.165 41.879 42.059 -0.025 0.000 0.918 402 L HN 0.045 nan 8.230 nan 0.000 0.444 403 K N 0.520 120.905 120.400 -0.025 0.000 2.450 403 K HA 0.416 4.735 4.320 -0.002 0.000 0.257 403 K C -2.556 174.040 176.600 -0.007 0.000 0.953 403 K CA -1.627 54.653 56.287 -0.012 0.000 0.844 403 K CB 2.272 34.774 32.500 0.003 0.000 1.103 403 K HN -0.137 nan 8.250 nan 0.000 0.429 404 P HA 0.248 nan 4.420 nan 0.000 0.298 404 P C -1.659 175.653 177.300 0.020 0.000 1.341 404 P CA -1.039 62.062 63.100 0.001 0.000 0.988 404 P CB 0.978 32.671 31.700 -0.012 0.000 1.265 405 K N 3.104 123.529 120.400 0.040 0.000 2.265 405 K HA 0.254 4.573 4.320 -0.002 0.000 0.242 405 K C 0.472 177.116 176.600 0.074 0.000 1.137 405 K CA -0.477 55.859 56.287 0.082 0.000 1.082 405 K CB -0.263 32.330 32.500 0.155 0.000 1.731 405 K HN 0.135 nan 8.250 nan 0.000 0.392 406 I N 1.863 122.459 120.570 0.043 0.000 3.224 406 I HA -0.202 3.967 4.170 -0.002 0.000 0.086 406 I C 0.234 176.385 176.117 0.057 0.000 0.877 406 I CA 0.988 62.307 61.300 0.032 0.000 1.253 406 I CB -0.445 37.563 38.000 0.014 0.000 1.073 406 I HN 0.689 nan 8.210 nan 0.000 0.451 407 K N -0.729 119.699 120.400 0.047 0.000 2.057 407 K HA 0.113 4.432 4.320 -0.002 0.000 0.383 407 K C -1.382 175.236 176.600 0.030 0.000 1.757 407 K CA -0.129 56.196 56.287 0.062 0.000 1.115 407 K CB 0.529 33.067 32.500 0.063 0.000 1.387 407 K HN 0.033 nan 8.250 nan 0.000 0.454 408 V N 3.153 123.078 119.914 0.019 0.000 2.313 408 V HA 0.216 4.335 4.120 -0.002 0.000 0.252 408 V C 1.533 177.633 176.094 0.010 0.000 1.112 408 V CA 1.532 63.836 62.300 0.007 0.000 0.984 408 V CB 0.064 31.883 31.823 -0.005 0.000 1.157 408 V HN 0.983 nan 8.190 nan 0.000 0.493 409 G N 5.800 114.608 108.800 0.013 0.000 3.282 409 G HA2 -0.452 3.507 3.960 -0.002 0.000 0.367 409 G HA3 -0.452 3.507 3.960 -0.002 0.000 0.367 409 G C 1.187 176.100 174.900 0.021 0.000 1.377 409 G CA 1.415 46.524 45.100 0.014 0.000 1.254 409 G HN 0.568 nan 8.290 nan 0.000 0.717 410 T N 1.184 115.747 114.554 0.015 0.000 3.118 410 T HA 0.375 4.724 4.350 -0.002 0.000 0.260 410 T C 0.674 175.389 174.700 0.025 0.000 1.139 410 T CA 1.740 63.852 62.100 0.019 0.000 1.085 410 T CB 0.080 68.953 68.868 0.008 0.000 0.934 410 T HN 0.562 nan 8.240 nan 0.000 0.518 411 E N 0.621 120.832 120.200 0.017 0.000 2.408 411 E HA 0.426 4.776 4.350 -0.002 0.000 0.275 411 E C -1.695 174.924 176.600 0.032 0.000 0.935 411 E CA -1.239 55.157 56.400 -0.006 0.000 0.775 411 E CB 1.088 30.730 29.700 -0.097 0.000 1.277 411 E HN 0.309 nan 8.360 nan 0.000 0.455 412 Y N 1.081 121.376 120.300 -0.008 0.000 2.369 412 Y HA 0.733 5.282 4.550 -0.002 0.000 0.337 412 Y C -0.862 175.033 175.900 -0.008 0.000 0.961 412 Y CA -1.058 57.036 58.100 -0.010 0.000 1.186 412 Y CB 0.511 38.964 38.460 -0.011 0.000 1.139 412 Y HN 0.119 nan 8.280 nan 0.000 0.494 413 V N 3.479 123.366 119.914 -0.046 0.000 2.975 413 V HA 0.545 4.664 4.120 -0.002 0.000 0.318 413 V C 0.247 176.338 176.094 -0.005 0.000 1.077 413 V CA -0.736 61.515 62.300 -0.081 0.000 1.000 413 V CB 2.048 33.837 31.823 -0.057 0.000 1.066 413 V HN 0.932 nan 8.190 nan 0.000 0.452 414 T N 1.831 116.376 114.554 -0.015 0.000 2.936 414 T HA 0.666 5.015 4.350 -0.002 0.000 0.282 414 T C -0.666 174.032 174.700 -0.003 0.000 1.003 414 T CA -0.569 61.537 62.100 0.010 0.000 1.005 414 T CB 1.489 70.363 68.868 0.010 0.000 1.097 414 T HN 0.700 nan 8.240 nan 0.000 0.532 415 Q N -1.080 118.719 119.800 -0.002 0.000 2.590 415 Q HA 0.577 4.916 4.340 -0.002 0.000 0.295 415 Q C -0.924 175.070 176.000 -0.011 0.000 0.973 415 Q CA -1.170 54.628 55.803 -0.009 0.000 0.768 415 Q CB 2.214 30.946 28.738 -0.010 0.000 1.479 415 Q HN 0.841 nan 8.270 nan 0.000 0.419 416 G N 0.893 109.685 108.800 -0.013 0.000 2.379 416 G HA2 0.614 4.573 3.960 -0.002 0.000 0.327 416 G HA3 0.614 4.573 3.960 -0.002 0.000 0.327 416 G C -0.876 174.009 174.900 -0.024 0.000 1.145 416 G CA -0.400 44.692 45.100 -0.014 0.000 0.905 416 G HN 0.138 nan 8.290 nan 0.000 0.466 417 R N 1.930 122.408 120.500 -0.036 0.000 2.393 417 R HA 0.243 4.582 4.340 -0.002 0.000 0.315 417 R C -0.326 175.942 176.300 -0.053 0.000 0.952 417 R CA -0.844 55.223 56.100 -0.056 0.000 0.842 417 R CB 1.641 31.886 30.300 -0.092 0.000 1.163 417 R HN 0.799 nan 8.270 nan 0.000 0.450 418 N N 1.662 120.338 118.700 -0.039 0.000 2.483 418 N HA 0.032 4.771 4.740 -0.002 0.000 0.269 418 N C 0.780 176.268 175.510 -0.036 0.000 1.209 418 N CA -0.485 52.553 53.050 -0.021 0.000 0.969 418 N CB 1.252 39.735 38.487 -0.007 0.000 1.173 418 N HN 0.320 nan 8.380 nan 0.000 0.475 419 K N -0.035 120.368 120.400 0.004 0.000 2.127 419 K HA -0.267 4.052 4.320 -0.002 0.000 0.212 419 K C 0.349 176.947 176.600 -0.003 0.000 1.050 419 K CA 2.130 58.435 56.287 0.030 0.000 0.929 419 K CB -0.138 32.426 32.500 0.106 0.000 0.715 419 K HN 0.541 nan 8.250 nan 0.000 0.457 420 D N 0.285 120.688 120.400 0.004 0.000 2.104 420 D HA -0.154 4.485 4.640 -0.002 0.000 0.194 420 D C 2.129 178.411 176.300 -0.030 0.000 0.994 420 D CA 1.145 55.147 54.000 0.002 0.000 0.830 420 D CB -0.179 40.625 40.800 0.006 0.000 0.959 420 D HN 0.345 nan 8.370 nan 0.000 0.452 421 Q N 0.184 119.954 119.800 -0.049 0.000 1.921 421 Q HA -0.109 4.230 4.340 -0.002 0.000 0.208 421 Q C 2.351 178.268 176.000 -0.137 0.000 0.994 421 Q CA 1.197 56.956 55.803 -0.072 0.000 0.857 421 Q CB -0.335 28.363 28.738 -0.067 0.000 0.925 421 Q HN 0.089 nan 8.270 nan 0.000 0.421 422 V N 1.011 120.795 119.914 -0.217 0.000 2.736 422 V HA -0.314 3.805 4.120 -0.002 0.000 0.262 422 V C 1.959 177.772 176.094 -0.469 0.000 1.114 422 V CA 2.033 64.080 62.300 -0.421 0.000 1.133 422 V CB -0.964 30.445 31.823 -0.689 0.000 0.703 422 V HN 0.466 nan 8.190 nan 0.000 0.495 423 T N -0.680 113.725 114.554 -0.248 0.000 2.818 423 T HA -0.053 4.296 4.350 -0.002 0.000 0.246 423 T C 1.867 176.563 174.700 -0.007 0.000 1.036 423 T CA 0.974 63.019 62.100 -0.092 0.000 1.160 423 T CB -0.343 68.555 68.868 0.050 0.000 0.869 423 T HN 0.363 nan 8.240 nan 0.000 0.419 424 N N 1.567 120.268 118.700 0.001 0.000 2.144 424 N HA -0.171 4.568 4.740 -0.002 0.000 0.195 424 N C 2.098 177.619 175.510 0.018 0.000 1.006 424 N CA 1.732 54.796 53.050 0.024 0.000 0.880 424 N CB -0.562 37.928 38.487 0.005 0.000 1.018 424 N HN 0.464 nan 8.380 nan 0.000 0.443 425 S N 0.658 116.339 115.700 -0.031 0.000 2.348 425 S HA -0.058 4.411 4.470 -0.002 0.000 0.221 425 S C 1.969 176.573 174.600 0.007 0.000 1.033 425 S CA 0.784 58.963 58.200 -0.035 0.000 1.010 425 S CB -0.429 62.714 63.200 -0.095 0.000 0.891 425 S HN 0.337 nan 8.310 nan 0.000 0.442 426 I N 2.019 122.601 120.570 0.021 0.000 2.850 426 I HA -0.120 4.049 4.170 -0.002 0.000 0.266 426 I C 2.692 178.927 176.117 0.195 0.000 1.257 426 I CA 0.795 62.172 61.300 0.129 0.000 1.465 426 I CB -0.936 37.201 38.000 0.227 0.000 1.091 426 I HN 0.484 nan 8.210 nan 0.000 0.467 427 A N 1.272 124.193 122.820 0.169 0.000 1.823 427 A HA -0.046 4.273 4.320 -0.002 0.000 0.214 427 A C 2.664 180.279 177.584 0.052 0.000 1.225 427 A CA 1.458 53.586 52.037 0.152 0.000 0.604 427 A CB -1.073 18.018 19.000 0.150 0.000 0.878 427 A HN 0.344 nan 8.150 nan 0.000 0.450 428 A N -0.407 122.441 122.820 0.046 0.000 1.923 428 A HA -0.286 4.033 4.320 -0.002 0.000 0.222 428 A C 2.179 179.783 177.584 0.033 0.000 1.258 428 A CA 2.326 54.382 52.037 0.032 0.000 0.670 428 A CB -1.049 17.965 19.000 0.024 0.000 0.834 428 A HN 0.981 nan 8.150 nan 0.000 0.470 429 L N -1.085 120.162 121.223 0.041 0.000 2.187 429 L HA -0.080 4.259 4.340 -0.002 0.000 0.213 429 L C 2.562 179.463 176.870 0.052 0.000 1.100 429 L CA 2.116 56.986 54.840 0.050 0.000 0.765 429 L CB -0.394 41.703 42.059 0.064 0.000 0.904 429 L HN 0.404 nan 8.230 nan 0.000 0.437 430 A N -0.723 122.108 122.820 0.019 0.000 1.887 430 A HA -0.080 4.239 4.320 -0.002 0.000 0.212 430 A C 2.165 179.738 177.584 -0.018 0.000 1.198 430 A CA 1.076 53.086 52.037 -0.045 0.000 0.628 430 A CB -0.318 18.509 19.000 -0.288 0.000 0.847 430 A HN 0.435 nan 8.150 nan 0.000 0.449 431 K N 0.056 120.441 120.400 -0.025 0.000 2.362 431 K HA -0.022 4.298 4.320 -0.002 0.000 0.200 431 K C 1.964 178.617 176.600 0.088 0.000 1.046 431 K CA 1.182 57.490 56.287 0.035 0.000 0.952 431 K CB -0.111 32.411 32.500 0.036 0.000 0.753 431 K HN 0.359 nan 8.250 nan 0.000 0.466 432 S N 1.076 116.820 115.700 0.073 0.000 2.404 432 S HA 0.017 4.486 4.470 -0.002 0.000 0.223 432 S C 1.685 176.339 174.600 0.091 0.000 1.040 432 S CA 0.087 58.333 58.200 0.077 0.000 0.957 432 S CB -0.013 63.219 63.200 0.053 0.000 0.826 432 S HN 0.191 nan 8.310 nan 0.000 0.491 433 L N 0.685 121.966 121.223 0.097 0.000 2.353 433 L HA 0.009 4.348 4.340 -0.002 0.000 0.220 433 L C 1.691 178.647 176.870 0.143 0.000 1.133 433 L CA 1.561 56.461 54.840 0.100 0.000 0.798 433 L CB -0.498 41.625 42.059 0.107 0.000 0.922 433 L HN 0.389 nan 8.230 nan 0.000 0.445 434 Y N -0.301 120.025 120.300 0.044 0.000 2.159 434 Y HA -0.135 4.414 4.550 -0.001 0.000 0.285 434 Y C 2.457 178.386 175.900 0.047 0.000 1.106 434 Y CA 1.625 59.756 58.100 0.052 0.000 1.095 434 Y CB -0.511 37.973 38.460 0.040 0.000 1.015 434 Y HN 0.223 nan 8.280 nan 0.000 0.491 435 D N 0.135 120.629 120.400 0.155 0.000 2.204 435 D HA -0.275 4.365 4.640 -0.002 0.000 0.189 435 D C 2.260 178.603 176.300 0.072 0.000 1.006 435 D CA 2.068 56.126 54.000 0.097 0.000 0.855 435 D CB -0.212 40.651 40.800 0.104 0.000 0.946 435 D HN 0.283 nan 8.370 nan 0.000 0.448 436 R N -0.536 119.999 120.500 0.060 0.000 2.113 436 R HA -0.170 4.169 4.340 -0.002 0.000 0.244 436 R C 2.604 178.915 176.300 0.018 0.000 1.142 436 R CA 1.750 57.877 56.100 0.045 0.000 0.953 436 R CB -0.392 29.929 30.300 0.035 0.000 0.860 436 R HN 0.341 nan 8.270 nan 0.000 0.438 437 M N -0.331 119.238 119.600 -0.050 0.000 2.159 437 M HA -0.173 4.306 4.480 -0.002 0.000 0.263 437 M C 1.782 178.005 176.300 -0.129 0.000 1.063 437 M CA 1.439 56.653 55.300 -0.144 0.000 1.110 437 M CB -0.096 32.374 32.600 -0.217 0.000 1.374 437 M HN 0.087 nan 8.290 nan 0.000 0.411 438 F N 1.838 121.573 119.950 -0.359 0.000 2.010 438 F HA -0.313 4.214 4.527 -0.002 0.000 0.296 438 F C 2.118 177.814 175.800 -0.173 0.000 1.146 438 F CA 2.064 59.846 58.000 -0.364 0.000 1.181 438 F CB -1.042 37.749 39.000 -0.348 0.000 0.965 438 F HN 0.261 nan 8.300 nan 0.000 0.480 439 N N -0.309 118.367 118.700 -0.039 0.000 2.089 439 N HA -0.332 4.407 4.740 -0.002 0.000 0.198 439 N C 1.802 177.281 175.510 -0.051 0.000 1.017 439 N CA 2.018 55.014 53.050 -0.091 0.000 0.880 439 N CB -1.498 36.995 38.487 0.009 0.000 1.042 439 N HN 0.655 nan 8.380 nan 0.000 0.446 440 W N 1.599 122.787 121.300 -0.187 0.000 2.358 440 W HA -0.114 4.546 4.660 -0.001 0.000 0.303 440 W C 2.283 178.676 176.519 -0.210 0.000 1.208 440 W CA 0.681 57.921 57.345 -0.174 0.000 1.274 440 W CB -0.373 29.001 29.460 -0.144 0.000 1.138 440 W HN 0.096 nan 8.180 nan 0.000 0.515 441 L N 0.386 121.775 121.223 0.276 0.000 2.017 441 L HA -0.176 4.163 4.340 -0.002 0.000 0.208 441 L C 2.261 179.019 176.870 -0.186 0.000 1.073 441 L CA 2.196 57.108 54.840 0.120 0.000 0.745 441 L CB -1.351 40.660 42.059 -0.080 0.000 0.894 441 L HN -0.027 nan 8.230 nan 0.000 0.432 442 V N 0.042 119.729 119.914 -0.380 0.000 2.233 442 V HA -0.351 3.768 4.120 -0.002 0.000 0.247 442 V C 2.792 178.723 176.094 -0.271 0.000 1.050 442 V CA 2.299 64.382 62.300 -0.361 0.000 1.010 442 V CB -0.672 30.906 31.823 -0.409 0.000 0.637 442 V HN 0.493 nan 8.190 nan 0.000 0.444 443 R N -0.507 119.824 120.500 -0.283 0.000 2.153 443 R HA -0.207 4.132 4.340 -0.002 0.000 0.252 443 R C 2.509 178.558 176.300 -0.419 0.000 1.158 443 R CA 1.717 57.632 56.100 -0.308 0.000 0.975 443 R CB -0.297 29.821 30.300 -0.303 0.000 0.871 443 R HN 0.279 nan 8.270 nan 0.000 0.450 444 R N -0.074 120.077 120.500 -0.581 0.000 2.276 444 R HA -0.016 4.323 4.340 -0.002 0.000 0.203 444 R C 1.543 177.589 176.300 -0.424 0.000 1.017 444 R CA 0.668 56.336 56.100 -0.720 0.000 1.010 444 R CB 0.277 29.811 30.300 -1.277 0.000 0.900 444 R HN 0.167 nan 8.270 nan 0.000 0.469 445 V N 0.628 120.415 119.914 -0.211 0.000 2.436 445 V HA -0.118 4.001 4.120 -0.002 0.000 0.240 445 V C 1.866 177.900 176.094 -0.100 0.000 1.040 445 V CA 0.954 63.219 62.300 -0.059 0.000 1.052 445 V CB -0.415 31.416 31.823 0.013 0.000 0.707 445 V HN 0.247 nan 8.190 nan 0.000 0.469 446 N N 0.355 118.980 118.700 -0.125 0.000 2.132 446 N HA -0.282 4.457 4.740 -0.002 0.000 0.191 446 N C 1.871 177.309 175.510 -0.120 0.000 1.015 446 N CA 1.916 54.903 53.050 -0.106 0.000 0.864 446 N CB -0.268 38.148 38.487 -0.118 0.000 1.006 446 N HN 0.612 nan 8.380 nan 0.000 0.430 447 Q N -0.068 119.624 119.800 -0.180 0.000 2.124 447 Q HA -0.108 4.231 4.340 -0.002 0.000 0.202 447 Q C 1.574 177.485 176.000 -0.148 0.000 0.977 447 Q CA 1.868 57.557 55.803 -0.191 0.000 0.850 447 Q CB 0.023 28.588 28.738 -0.288 0.000 0.901 447 Q HN 0.564 nan 8.270 nan 0.000 0.429 448 T N -2.300 112.176 114.554 -0.129 0.000 3.067 448 T HA 0.095 4.444 4.350 -0.002 0.000 0.257 448 T C 1.510 176.187 174.700 -0.038 0.000 1.105 448 T CA 0.133 62.188 62.100 -0.076 0.000 1.104 448 T CB 0.007 68.856 68.868 -0.031 0.000 0.925 448 T HN 0.235 nan 8.240 nan 0.000 0.498 449 L N 1.004 122.204 121.223 -0.037 0.000 2.612 449 L HA 0.289 4.628 4.340 -0.002 0.000 0.230 449 L C 0.635 177.496 176.870 -0.015 0.000 1.140 449 L CA 0.135 54.963 54.840 -0.020 0.000 0.896 449 L CB -0.173 41.873 42.059 -0.023 0.000 1.065 449 L HN 0.204 nan 8.230 nan 0.000 0.447 450 D N 0.486 120.869 120.400 -0.029 0.000 2.493 450 D HA 0.097 4.737 4.640 -0.002 0.000 0.235 450 D C 1.233 177.517 176.300 -0.026 0.000 1.117 450 D CA -0.031 53.955 54.000 -0.024 0.000 0.930 450 D CB 1.161 41.934 40.800 -0.045 0.000 1.010 450 D HN 0.098 nan 8.370 nan 0.000 0.514 451 T N 0.014 114.561 114.554 -0.011 0.000 2.896 451 T HA 0.003 4.352 4.350 -0.002 0.000 0.263 451 T C 0.533 175.223 174.700 -0.016 0.000 1.050 451 T CA -0.003 62.090 62.100 -0.011 0.000 1.140 451 T CB -0.096 68.774 68.868 0.002 0.000 0.877 451 T HN 0.469 nan 8.240 nan 0.000 0.457 452 K N 1.082 121.473 120.400 -0.016 0.000 5.898 452 K HA 0.092 4.411 4.320 -0.002 0.000 0.595 452 K C -0.868 175.722 176.600 -0.016 0.000 1.356 452 K CA 0.133 56.405 56.287 -0.025 0.000 1.535 452 K CB -1.644 30.837 32.500 -0.032 0.000 1.834 452 K HN 0.710 nan 8.250 nan 0.000 0.372 453 A N 2.636 125.449 122.820 -0.011 0.000 2.549 453 A HA 0.516 4.835 4.320 -0.002 0.000 0.297 453 A C -0.587 176.991 177.584 -0.011 0.000 1.061 453 A CA -1.087 50.949 52.037 -0.002 0.000 0.690 453 A CB 0.978 19.988 19.000 0.016 0.000 1.287 453 A HN 0.304 nan 8.150 nan 0.000 0.402 454 K N 0.986 121.377 120.400 -0.015 0.000 2.561 454 K HA 0.062 4.381 4.320 -0.002 0.000 0.280 454 K C -0.517 176.064 176.600 -0.031 0.000 0.975 454 K CA 0.683 56.949 56.287 -0.034 0.000 1.024 454 K CB 0.280 32.759 32.500 -0.034 0.000 0.883 454 K HN 0.594 nan 8.250 nan 0.000 0.496 455 R N 2.915 123.370 120.500 -0.075 0.000 2.494 455 R HA 0.061 4.400 4.340 -0.002 0.000 0.284 455 R C 0.605 176.810 176.300 -0.157 0.000 1.525 455 R CA -0.548 55.509 56.100 -0.073 0.000 1.460 455 R CB 0.903 31.113 30.300 -0.149 0.000 1.134 455 R HN 0.535 nan 8.270 nan 0.000 0.592 456 Q N 1.131 120.768 119.800 -0.271 0.000 2.002 456 Q HA -0.082 4.257 4.340 -0.002 0.000 0.204 456 Q C 0.460 176.040 176.000 -0.701 0.000 0.988 456 Q CA 1.852 57.225 55.803 -0.716 0.000 0.843 456 Q CB -0.054 27.802 28.738 -1.471 0.000 0.908 456 Q HN 0.352 nan 8.270 nan 0.000 0.420 457 F N -1.903 118.098 119.950 0.085 0.000 2.754 457 F HA 0.613 5.139 4.527 -0.002 0.000 0.320 457 F C -0.597 175.328 175.800 0.208 0.000 1.156 457 F CA -2.759 55.262 58.000 0.035 0.000 0.950 457 F CB 0.423 39.433 39.000 0.017 0.000 1.388 457 F HN -0.068 nan 8.300 nan 0.000 0.485 458 F N -0.461 119.764 119.950 0.459 0.000 2.626 458 F HA 0.880 5.407 4.527 -0.001 0.000 0.311 458 F C -1.853 174.044 175.800 0.161 0.000 1.088 458 F CA -2.684 55.434 58.000 0.197 0.000 0.949 458 F CB 1.137 40.178 39.000 0.067 0.000 1.322 458 F HN 0.409 nan 8.300 nan 0.000 0.461 459 I N 1.350 122.186 120.570 0.443 0.000 2.465 459 I HA 0.690 4.860 4.170 -0.002 0.000 0.291 459 I C -0.066 176.057 176.117 0.010 0.000 1.014 459 I CA -0.686 60.784 61.300 0.284 0.000 1.093 459 I CB 2.107 40.190 38.000 0.138 0.000 1.267 459 I HN 0.995 nan 8.210 nan 0.000 0.431 460 G N 5.757 114.496 108.800 -0.101 0.000 2.609 460 G HA2 0.618 4.577 3.960 -0.002 0.000 0.308 460 G HA3 0.618 4.577 3.960 -0.002 0.000 0.308 460 G C -0.929 173.663 174.900 -0.513 0.000 1.369 460 G CA -0.406 44.335 45.100 -0.599 0.000 0.958 460 G HN 0.337 nan 8.290 nan 0.000 0.499 461 V N 1.971 121.605 119.914 -0.468 0.000 2.743 461 V HA 0.619 4.738 4.120 -0.002 0.000 0.301 461 V C -0.261 175.694 176.094 -0.231 0.000 1.057 461 V CA -0.923 61.237 62.300 -0.232 0.000 1.006 461 V CB 1.603 33.365 31.823 -0.101 0.000 1.024 461 V HN 0.585 nan 8.190 nan 0.000 0.473 462 L N 3.009 124.206 121.223 -0.043 0.000 2.406 462 L HA 0.619 4.958 4.340 -0.002 0.000 0.270 462 L C -1.174 175.711 176.870 0.024 0.000 0.982 462 L CA -0.072 54.801 54.840 0.056 0.000 0.843 462 L CB 1.559 43.730 42.059 0.187 0.000 1.225 462 L HN 0.616 nan 8.230 nan 0.000 0.412 463 D N 5.853 126.259 120.400 0.009 0.000 2.280 463 D HA 0.643 5.282 4.640 -0.002 0.000 0.236 463 D C -0.761 175.524 176.300 -0.024 0.000 1.082 463 D CA 0.269 54.261 54.000 -0.013 0.000 0.834 463 D CB 2.217 42.997 40.800 -0.034 0.000 1.100 463 D HN 0.468 nan 8.370 nan 0.000 0.486 464 I N 0.843 121.401 120.570 -0.020 0.000 2.771 464 I HA 0.443 4.612 4.170 -0.002 0.000 0.291 464 I C -1.009 175.109 176.117 0.002 0.000 1.527 464 I CA -0.511 60.774 61.300 -0.025 0.000 1.024 464 I CB 1.627 39.589 38.000 -0.063 0.000 1.388 464 I HN 0.393 nan 8.210 nan 0.000 0.447 465 A N 3.928 126.756 122.820 0.013 0.000 2.567 465 A HA 0.540 4.859 4.320 -0.002 0.000 0.236 465 A C 0.630 178.244 177.584 0.050 0.000 1.088 465 A CA 0.786 52.846 52.037 0.038 0.000 0.776 465 A CB -0.598 18.437 19.000 0.057 0.000 1.033 465 A HN 1.167 nan 8.150 nan 0.000 0.513 466 G N -1.019 107.834 108.800 0.088 0.000 2.702 466 G HA2 0.541 4.500 3.960 -0.002 0.000 0.254 466 G HA3 0.541 4.500 3.960 -0.002 0.000 0.254 466 G C -0.615 174.415 174.900 0.215 0.000 1.380 466 G CA -0.923 44.278 45.100 0.170 0.000 1.042 466 G HN 0.451 nan 8.290 nan 0.000 0.557 467 F N 0.619 120.564 119.950 -0.009 0.000 2.578 467 F HA 0.204 4.730 4.527 -0.002 0.000 0.381 467 F C 1.115 176.860 175.800 -0.091 0.000 1.069 467 F CA -0.057 57.922 58.000 -0.034 0.000 1.231 467 F CB 0.464 39.439 39.000 -0.042 0.000 1.086 467 F HN 0.257 nan 8.300 nan 0.000 0.564 468 E N 4.678 124.943 120.200 0.108 0.000 1.936 468 E HA 0.290 4.639 4.350 -0.002 0.000 0.267 468 E C -0.653 175.851 176.600 -0.161 0.000 1.076 468 E CA -0.190 56.201 56.400 -0.015 0.000 0.870 468 E CB 0.273 30.154 29.700 0.302 0.000 1.093 468 E HN 0.421 nan 8.360 nan 0.000 0.411 469 I N 3.089 123.405 120.570 -0.424 0.000 2.330 469 I HA 0.381 4.550 4.170 -0.002 0.000 0.289 469 I C -0.307 175.479 176.117 -0.552 0.000 1.001 469 I CA -0.530 60.581 61.300 -0.315 0.000 1.193 469 I CB 0.294 38.187 38.000 -0.178 0.000 1.345 469 I HN 0.238 nan 8.210 nan 0.000 0.461 470 F N 2.460 122.382 119.950 -0.046 0.000 2.790 470 F HA 0.409 4.935 4.527 -0.002 0.000 0.386 470 F C 1.266 177.050 175.800 -0.025 0.000 1.206 470 F CA -0.671 57.318 58.000 -0.019 0.000 1.109 470 F CB 0.484 39.490 39.000 0.010 0.000 1.469 470 F HN 0.302 nan 8.300 nan 0.000 0.513 471 D N -0.349 120.220 120.400 0.281 0.000 2.183 471 D HA -0.027 4.612 4.640 -0.002 0.000 0.205 471 D C -0.369 176.052 176.300 0.202 0.000 0.962 471 D CA 1.462 55.560 54.000 0.163 0.000 0.849 471 D CB 0.196 41.077 40.800 0.135 0.000 0.978 471 D HN 0.130 nan 8.370 nan 0.000 0.488 472 F N 1.445 121.433 119.950 0.063 0.000 2.477 472 F HA 0.388 4.914 4.527 -0.001 0.000 0.335 472 F C -1.089 174.736 175.800 0.042 0.000 1.130 472 F CA -0.985 57.028 58.000 0.020 0.000 0.948 472 F CB 1.068 40.071 39.000 0.006 0.000 1.154 472 F HN -0.364 nan 8.300 nan 0.000 0.439 473 N N 4.883 123.202 118.700 -0.635 0.000 2.479 473 N HA 0.252 4.991 4.740 -0.002 0.000 0.261 473 N C -0.887 174.292 175.510 -0.552 0.000 0.979 473 N CA -0.227 52.500 53.050 -0.539 0.000 0.930 473 N CB 1.996 40.208 38.487 -0.458 0.000 1.172 473 N HN 0.606 nan 8.380 nan 0.000 0.499 474 S N 0.965 116.513 115.700 -0.252 0.000 2.667 474 S HA 0.413 4.883 4.470 -0.002 0.000 0.292 474 S C 1.029 175.926 174.600 0.495 0.000 1.108 474 S CA -0.500 57.846 58.200 0.244 0.000 0.992 474 S CB 0.455 63.789 63.200 0.224 0.000 1.269 474 S HN 0.361 nan 8.310 nan 0.000 0.528 475 F N 2.193 122.221 119.950 0.130 0.000 2.014 475 F HA -0.162 4.364 4.527 -0.002 0.000 0.299 475 F C 2.255 177.869 175.800 -0.310 0.000 1.224 475 F CA 2.821 60.334 58.000 -0.813 0.000 1.200 475 F CB -1.309 37.067 39.000 -1.040 0.000 0.948 475 F HN 0.830 nan 8.300 nan 0.000 0.520 476 E N -0.449 119.605 120.200 -0.244 0.000 2.407 476 E HA -0.368 3.981 4.350 -0.002 0.000 0.222 476 E C 1.925 178.445 176.600 -0.135 0.000 1.104 476 E CA 1.634 57.892 56.400 -0.237 0.000 0.876 476 E CB -0.492 29.204 29.700 -0.007 0.000 0.749 476 E HN 0.555 nan 8.360 nan 0.000 0.470 477 Q N 0.412 120.211 119.800 -0.000 0.000 1.965 477 Q HA -0.091 4.248 4.340 -0.002 0.000 0.200 477 Q C 2.453 178.556 176.000 0.171 0.000 0.981 477 Q CA 1.047 56.932 55.803 0.137 0.000 0.834 477 Q CB -0.755 28.103 28.738 0.201 0.000 0.900 477 Q HN 0.349 nan 8.270 nan 0.000 0.426 478 L N 0.849 122.249 121.223 0.296 0.000 2.043 478 L HA -0.213 4.126 4.340 -0.002 0.000 0.212 478 L C 2.295 179.160 176.870 -0.008 0.000 1.075 478 L CA 1.739 56.694 54.840 0.192 0.000 0.752 478 L CB -0.732 41.198 42.059 -0.216 0.000 0.891 478 L HN 0.213 nan 8.230 nan 0.000 0.432 479 C N -0.151 118.986 119.300 -0.272 0.000 2.647 479 C HA -0.268 4.191 4.460 -0.002 0.000 0.287 479 C C 2.638 177.583 174.990 -0.075 0.000 1.191 479 C CA 1.246 60.097 59.018 -0.277 0.000 1.792 479 C CB -1.151 26.249 27.740 -0.566 0.000 1.976 479 C HN 0.622 nan 8.230 nan 0.000 0.424 480 I N 1.525 122.029 120.570 -0.111 0.000 2.143 480 I HA -0.244 3.925 4.170 -0.002 0.000 0.245 480 I C 2.105 178.183 176.117 -0.065 0.000 1.068 480 I CA 1.987 63.254 61.300 -0.054 0.000 1.326 480 I CB -1.516 36.476 38.000 -0.013 0.000 1.028 480 I HN 0.508 nan 8.210 nan 0.000 0.412 481 N N 0.281 118.969 118.700 -0.020 0.000 2.149 481 N HA -0.238 4.501 4.740 -0.002 0.000 0.188 481 N C 1.826 177.293 175.510 -0.072 0.000 1.019 481 N CA 1.193 54.162 53.050 -0.135 0.000 0.857 481 N CB -0.680 37.753 38.487 -0.091 0.000 0.997 481 N HN 0.475 nan 8.380 nan 0.000 0.426 482 Y N 1.943 122.259 120.300 0.027 0.000 2.145 482 Y HA -0.175 4.374 4.550 -0.002 0.000 0.286 482 Y C 2.205 178.109 175.900 0.006 0.000 1.145 482 Y CA 1.664 59.817 58.100 0.089 0.000 1.148 482 Y CB -0.908 37.601 38.460 0.082 0.000 0.981 482 Y HN -0.053 nan 8.280 nan 0.000 0.507 483 T N 1.536 115.949 114.554 -0.234 0.000 2.592 483 T HA -0.274 4.075 4.350 -0.002 0.000 0.267 483 T C 1.641 176.178 174.700 -0.271 0.000 1.060 483 T CA 2.029 63.978 62.100 -0.252 0.000 1.167 483 T CB -0.481 68.376 68.868 -0.019 0.000 0.863 483 T HN 0.502 nan 8.240 nan 0.000 0.431 484 N N 0.551 119.049 118.700 -0.337 0.000 2.459 484 N HA -0.074 4.665 4.740 -0.002 0.000 0.181 484 N C 1.888 177.145 175.510 -0.421 0.000 1.046 484 N CA 0.561 53.378 53.050 -0.389 0.000 0.904 484 N CB -0.147 37.986 38.487 -0.589 0.000 0.964 484 N HN 0.415 nan 8.380 nan 0.000 0.444 485 E N 1.939 121.898 120.200 -0.401 0.000 2.118 485 E HA -0.112 4.237 4.350 -0.002 0.000 0.195 485 E C 1.863 178.453 176.600 -0.016 0.000 0.992 485 E CA 1.233 57.588 56.400 -0.074 0.000 0.804 485 E CB 0.136 29.923 29.700 0.144 0.000 0.741 485 E HN 0.262 nan 8.360 nan 0.000 0.458 486 R N -0.218 120.218 120.500 -0.106 0.000 2.060 486 R HA -0.004 4.335 4.340 -0.002 0.000 0.225 486 R C 2.645 178.985 176.300 0.067 0.000 1.155 486 R CA 1.317 57.400 56.100 -0.028 0.000 0.930 486 R CB -0.941 29.291 30.300 -0.113 0.000 0.829 486 R HN 0.235 nan 8.270 nan 0.000 0.433 487 L N 1.267 122.516 121.223 0.043 0.000 2.123 487 L HA -0.297 4.042 4.340 -0.002 0.000 0.217 487 L C 2.729 179.718 176.870 0.198 0.000 1.081 487 L CA 1.446 56.389 54.840 0.172 0.000 0.772 487 L CB -0.539 41.590 42.059 0.116 0.000 0.890 487 L HN 0.252 nan 8.230 nan 0.000 0.437 488 Q N 0.463 120.310 119.800 0.078 0.000 2.124 488 Q HA -0.236 4.103 4.340 -0.002 0.000 0.202 488 Q C 2.172 178.202 176.000 0.051 0.000 0.977 488 Q CA 2.041 57.834 55.803 -0.018 0.000 0.850 488 Q CB -0.140 28.445 28.738 -0.255 0.000 0.901 488 Q HN 0.716 nan 8.270 nan 0.000 0.429 489 Q N -1.483 118.394 119.800 0.128 0.000 2.269 489 Q HA -0.099 4.240 4.340 -0.002 0.000 0.201 489 Q C 1.813 178.008 176.000 0.325 0.000 0.946 489 Q CA 0.817 56.744 55.803 0.206 0.000 0.877 489 Q CB -0.601 28.258 28.738 0.202 0.000 0.963 489 Q HN 0.382 nan 8.270 nan 0.000 0.472 490 F N 1.663 121.701 119.950 0.146 0.000 2.120 490 F HA -0.197 4.329 4.527 -0.002 0.000 0.300 490 F C 1.634 177.512 175.800 0.129 0.000 1.095 490 F CA 1.177 59.194 58.000 0.028 0.000 1.249 490 F CB -0.598 38.336 39.000 -0.111 0.000 0.995 490 F HN 0.182 nan 8.300 nan 0.000 0.480 491 F N 1.712 121.617 119.950 -0.074 0.000 2.022 491 F HA -0.163 4.363 4.527 -0.001 0.000 0.293 491 F C 2.439 178.154 175.800 -0.142 0.000 1.142 491 F CA 2.202 60.009 58.000 -0.322 0.000 1.177 491 F CB -1.108 37.626 39.000 -0.443 0.000 0.982 491 F HN -0.083 nan 8.300 nan 0.000 0.473 492 N N -0.346 118.418 118.700 0.106 0.000 2.242 492 N HA -0.314 4.425 4.740 -0.002 0.000 0.191 492 N C 1.712 177.263 175.510 0.068 0.000 1.005 492 N CA 1.750 54.847 53.050 0.080 0.000 0.877 492 N CB -0.632 37.987 38.487 0.221 0.000 0.983 492 N HN 0.485 nan 8.380 nan 0.000 0.439 493 H N 0.221 119.307 119.070 0.026 0.000 2.260 493 H HA -0.078 4.477 4.556 -0.002 0.000 0.304 493 H C 2.100 177.434 175.328 0.011 0.000 1.059 493 H CA 2.172 58.290 56.048 0.116 0.000 1.305 493 H CB -0.797 29.127 29.762 0.269 0.000 1.388 493 H HN 0.255 nan 8.280 nan 0.000 0.496 494 H N -0.308 118.613 119.070 -0.249 0.000 2.407 494 H HA -0.229 4.327 4.556 -0.002 0.000 0.293 494 H C 2.486 177.547 175.328 -0.444 0.000 1.122 494 H CA 2.440 58.245 56.048 -0.405 0.000 1.232 494 H CB -0.356 29.062 29.762 -0.573 0.000 1.361 494 H HN 0.426 nan 8.280 nan 0.000 0.498 495 M N -1.321 117.916 119.600 -0.605 0.000 2.101 495 M HA -0.123 4.356 4.480 -0.002 0.000 0.259 495 M C 1.955 178.051 176.300 -0.341 0.000 1.083 495 M CA 1.905 56.864 55.300 -0.569 0.000 1.114 495 M CB -0.466 31.778 32.600 -0.593 0.000 1.281 495 M HN 0.380 nan 8.290 nan 0.000 0.422 496 F N 0.794 120.550 119.950 -0.325 0.000 2.065 496 F HA -0.373 4.153 4.527 -0.001 0.000 0.290 496 F C 1.807 177.362 175.800 -0.409 0.000 1.079 496 F CA 2.435 60.269 58.000 -0.276 0.000 1.261 496 F CB -1.213 37.687 39.000 -0.167 0.000 0.968 496 F HN 0.069 nan 8.300 nan 0.000 0.496 497 V N 0.254 119.878 119.914 -0.484 0.000 2.214 497 V HA -0.331 3.789 4.120 -0.002 0.000 0.244 497 V C 2.365 178.150 176.094 -0.516 0.000 1.045 497 V CA 2.132 64.096 62.300 -0.560 0.000 0.993 497 V CB -1.085 30.484 31.823 -0.423 0.000 0.633 497 V HN 0.462 nan 8.190 nan 0.000 0.449 498 L N -0.096 120.833 121.223 -0.491 0.000 2.043 498 L HA -0.239 4.100 4.340 -0.002 0.000 0.212 498 L C 2.466 179.184 176.870 -0.253 0.000 1.075 498 L CA 2.401 57.024 54.840 -0.361 0.000 0.752 498 L CB -0.546 41.223 42.059 -0.482 0.000 0.891 498 L HN 0.449 nan 8.230 nan 0.000 0.432 499 E N -1.249 118.771 120.200 -0.300 0.000 2.150 499 E HA -0.239 4.110 4.350 -0.002 0.000 0.193 499 E C 2.212 178.632 176.600 -0.301 0.000 0.985 499 E CA 1.176 57.484 56.400 -0.153 0.000 0.814 499 E CB -0.092 29.558 29.700 -0.082 0.000 0.752 499 E HN 0.552 nan 8.360 nan 0.000 0.466 500 Q N -0.083 119.252 119.800 -0.776 0.000 2.083 500 Q HA -0.180 4.159 4.340 -0.002 0.000 0.198 500 Q C 2.045 177.877 176.000 -0.279 0.000 0.969 500 Q CA 1.369 56.613 55.803 -0.931 0.000 0.838 500 Q CB -0.014 28.015 28.738 -1.183 0.000 0.900 500 Q HN 0.355 nan 8.270 nan 0.000 0.436 501 E N 0.627 120.681 120.200 -0.243 0.000 2.023 501 E HA -0.250 4.099 4.350 -0.002 0.000 0.196 501 E C 1.765 178.377 176.600 0.021 0.000 1.003 501 E CA 1.466 57.809 56.400 -0.096 0.000 0.809 501 E CB 0.036 29.678 29.700 -0.097 0.000 0.755 501 E HN 0.323 nan 8.360 nan 0.000 0.449 502 E N -0.598 119.640 120.200 0.062 0.000 2.065 502 E HA -0.239 4.110 4.350 -0.002 0.000 0.201 502 E C 1.901 178.644 176.600 0.239 0.000 1.016 502 E CA 1.550 58.044 56.400 0.158 0.000 0.818 502 E CB -0.262 29.553 29.700 0.193 0.000 0.749 502 E HN 0.407 nan 8.360 nan 0.000 0.453 503 Y N 0.523 120.898 120.300 0.125 0.000 2.716 503 Y HA -0.125 4.423 4.550 -0.002 0.000 0.302 503 Y C 2.143 178.060 175.900 0.028 0.000 1.160 503 Y CA 0.925 59.088 58.100 0.105 0.000 1.362 503 Y CB -0.071 38.575 38.460 0.309 0.000 0.988 503 Y HN -0.032 nan 8.280 nan 0.000 0.546 504 K N 0.648 121.153 120.400 0.175 0.000 2.108 504 K HA -0.099 4.220 4.320 -0.002 0.000 0.204 504 K C 2.220 178.841 176.600 0.036 0.000 1.036 504 K CA 0.643 56.983 56.287 0.087 0.000 0.965 504 K CB -0.081 32.452 32.500 0.055 0.000 0.804 504 K HN 0.049 nan 8.250 nan 0.000 0.454 505 K N 0.584 121.007 120.400 0.038 0.000 2.242 505 K HA -0.194 4.125 4.320 -0.002 0.000 0.206 505 K C 0.861 177.457 176.600 -0.006 0.000 1.045 505 K CA 1.861 58.162 56.287 0.022 0.000 0.930 505 K CB 0.114 32.638 32.500 0.041 0.000 0.726 505 K HN 0.203 nan 8.250 nan 0.000 0.462 506 E N -0.898 119.273 120.200 -0.049 0.000 2.481 506 E HA 0.061 4.410 4.350 -0.002 0.000 0.198 506 E C 0.636 177.132 176.600 -0.173 0.000 1.027 506 E CA 0.649 56.965 56.400 -0.140 0.000 0.900 506 E CB 0.755 30.261 29.700 -0.324 0.000 0.993 506 E HN 0.505 nan 8.360 nan 0.000 0.482 507 G N 2.611 111.350 108.800 -0.101 0.000 2.350 507 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.298 507 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.298 507 G C 0.056 174.878 174.900 -0.130 0.000 1.037 507 G CA 0.259 45.313 45.100 -0.077 0.000 1.074 507 G HN 0.237 nan 8.290 nan 0.000 0.511 508 I N 0.173 120.650 120.570 -0.156 0.000 2.330 508 I HA 0.281 4.450 4.170 -0.002 0.000 0.289 508 I C 0.983 177.141 176.117 0.069 0.000 1.001 508 I CA -1.199 59.981 61.300 -0.200 0.000 1.193 508 I CB 1.709 39.366 38.000 -0.573 0.000 1.345 508 I HN -0.068 nan 8.210 nan 0.000 0.461 509 V N 6.783 126.733 119.914 0.060 0.000 2.644 509 V HA -0.024 4.095 4.120 -0.002 0.000 0.305 509 V C -0.308 175.973 176.094 0.313 0.000 1.053 509 V CA 0.643 63.029 62.300 0.142 0.000 1.186 509 V CB 0.121 31.997 31.823 0.089 0.000 0.895 509 V HN 0.732 nan 8.190 nan 0.000 0.490 510 W N 3.821 125.077 121.300 -0.073 0.000 3.736 510 W HA 0.297 4.956 4.660 -0.002 0.000 0.276 510 W C -1.247 174.906 176.519 -0.610 0.000 1.268 510 W CA -0.731 56.422 57.345 -0.321 0.000 1.216 510 W CB 1.635 30.854 29.460 -0.402 0.000 1.284 510 W HN 0.525 nan 8.180 nan 0.000 0.562 511 E N 3.416 123.074 120.200 -0.902 0.000 2.175 511 E HA 0.509 4.858 4.350 -0.002 0.000 0.278 511 E C -0.719 175.387 176.600 -0.823 0.000 0.969 511 E CA -0.400 55.589 56.400 -0.685 0.000 0.796 511 E CB 1.705 31.133 29.700 -0.453 0.000 1.104 511 E HN 0.153 nan 8.360 nan 0.000 0.395 512 F N 1.764 121.716 119.950 0.004 0.000 2.914 512 F HA 0.639 5.165 4.527 -0.002 0.000 0.379 512 F C -0.004 175.940 175.800 0.242 0.000 1.324 512 F CA -1.268 56.846 58.000 0.190 0.000 1.112 512 F CB 0.804 40.002 39.000 0.331 0.000 1.574 512 F HN 0.290 nan 8.300 nan 0.000 0.483 513 I N -1.367 119.540 120.570 0.561 0.000 2.750 513 I HA 0.249 4.418 4.170 -0.002 0.000 0.283 513 I C -1.782 174.090 176.117 -0.407 0.000 1.464 513 I CA -0.727 60.563 61.300 -0.017 0.000 1.093 513 I CB 1.536 39.433 38.000 -0.171 0.000 1.417 513 I HN 0.333 nan 8.210 nan 0.000 0.424 514 D N 5.524 125.219 120.400 -1.175 0.000 2.356 514 D HA 0.135 4.774 4.640 -0.002 0.000 0.272 514 D C 0.553 176.740 176.300 -0.188 0.000 1.337 514 D CA 0.327 53.789 54.000 -0.896 0.000 0.970 514 D CB 0.292 40.583 40.800 -0.848 0.000 1.092 514 D HN 0.508 nan 8.370 nan 0.000 0.516 515 F N 1.666 121.568 119.950 -0.080 0.000 2.722 515 F HA 0.047 4.573 4.527 -0.002 0.000 0.298 515 F C 2.412 178.263 175.800 0.085 0.000 1.175 515 F CA 0.469 58.496 58.000 0.045 0.000 1.462 515 F CB 0.029 39.106 39.000 0.128 0.000 1.111 515 F HN 0.484 nan 8.300 nan 0.000 0.592 516 G N -0.078 108.859 108.800 0.228 0.000 2.422 516 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.218 516 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.218 516 G C 1.778 176.766 174.900 0.147 0.000 1.140 516 G CA 0.262 45.485 45.100 0.204 0.000 0.775 516 G HN 0.320 nan 8.290 nan 0.000 0.545 517 L N 0.380 121.651 121.223 0.080 0.000 2.129 517 L HA -0.132 4.207 4.340 -0.002 0.000 0.212 517 L C 2.480 179.398 176.870 0.080 0.000 1.087 517 L CA 1.420 56.284 54.840 0.040 0.000 0.757 517 L CB -0.414 41.624 42.059 -0.035 0.000 0.896 517 L HN 0.161 nan 8.230 nan 0.000 0.434 518 D N 0.326 120.803 120.400 0.128 0.000 2.087 518 D HA -0.160 4.479 4.640 -0.002 0.000 0.192 518 D C 1.956 178.383 176.300 0.211 0.000 0.993 518 D CA 1.173 55.284 54.000 0.184 0.000 0.828 518 D CB -0.241 40.747 40.800 0.314 0.000 0.968 518 D HN 0.261 nan 8.370 nan 0.000 0.448 519 L N 0.874 122.245 121.223 0.246 0.000 2.786 519 L HA -0.017 4.322 4.340 -0.002 0.000 0.250 519 L C 1.708 178.684 176.870 0.178 0.000 1.151 519 L CA 0.091 55.076 54.840 0.243 0.000 0.910 519 L CB -0.371 41.834 42.059 0.242 0.000 1.082 519 L HN -0.050 nan 8.230 nan 0.000 0.433 520 Q N 0.803 120.686 119.800 0.139 0.000 2.389 520 Q HA 0.007 4.347 4.340 -0.002 0.000 0.204 520 Q C 2.108 178.171 176.000 0.106 0.000 0.944 520 Q CA 1.214 57.083 55.803 0.110 0.000 0.908 520 Q CB 0.197 28.981 28.738 0.077 0.000 1.002 520 Q HN 0.494 nan 8.270 nan 0.000 0.493 521 A N -0.454 122.434 122.820 0.113 0.000 1.835 521 A HA -0.150 4.169 4.320 -0.002 0.000 0.213 521 A C 2.372 180.016 177.584 0.100 0.000 1.210 521 A CA 1.091 53.189 52.037 0.102 0.000 0.605 521 A CB -1.462 17.604 19.000 0.109 0.000 0.860 521 A HN 0.573 nan 8.150 nan 0.000 0.447 522 C N 0.297 119.664 119.300 0.113 0.000 2.363 522 C HA -0.225 4.234 4.460 -0.002 0.000 0.274 522 C C 2.585 177.636 174.990 0.102 0.000 1.183 522 C CA 1.574 60.635 59.018 0.071 0.000 1.771 522 C CB -1.594 26.181 27.740 0.058 0.000 2.059 522 C HN 0.579 nan 8.230 nan 0.000 0.455 523 I N 0.220 120.888 120.570 0.163 0.000 2.361 523 I HA -0.154 4.016 4.170 -0.002 0.000 0.251 523 I C 2.544 178.762 176.117 0.168 0.000 1.133 523 I CA 1.660 63.099 61.300 0.230 0.000 1.413 523 I CB -0.763 37.361 38.000 0.205 0.000 1.073 523 I HN 0.531 nan 8.210 nan 0.000 0.424 524 E N 1.036 121.298 120.200 0.103 0.000 2.011 524 E HA -0.190 4.159 4.350 -0.002 0.000 0.191 524 E C 2.124 178.737 176.600 0.023 0.000 0.980 524 E CA 0.897 57.337 56.400 0.068 0.000 0.814 524 E CB -0.293 29.443 29.700 0.060 0.000 0.775 524 E HN 0.235 nan 8.360 nan 0.000 0.454 525 L N 1.843 123.065 121.223 -0.003 0.000 2.149 525 L HA -0.297 4.042 4.340 -0.002 0.000 0.223 525 L C 2.058 178.840 176.870 -0.145 0.000 1.089 525 L CA 1.821 56.596 54.840 -0.108 0.000 0.800 525 L CB -0.465 41.523 42.059 -0.118 0.000 0.897 525 L HN 0.210 nan 8.230 nan 0.000 0.443 526 I N -0.535 119.971 120.570 -0.106 0.000 2.142 526 I HA -0.270 3.899 4.170 -0.002 0.000 0.240 526 I C 2.378 178.355 176.117 -0.233 0.000 1.078 526 I CA 1.993 63.164 61.300 -0.214 0.000 1.343 526 I CB -0.598 37.196 38.000 -0.343 0.000 1.046 526 I HN 0.495 nan 8.210 nan 0.000 0.405 527 E N 2.087 122.197 120.200 -0.150 0.000 2.415 527 E HA 0.023 4.372 4.350 -0.002 0.000 0.197 527 E C 0.811 177.414 176.600 0.004 0.000 1.007 527 E CA -0.399 55.962 56.400 -0.065 0.000 0.890 527 E CB -0.106 29.627 29.700 0.055 0.000 0.891 527 E HN 0.435 nan 8.360 nan 0.000 0.496 528 K N 1.324 121.733 120.400 0.015 0.000 2.339 528 K HA 0.011 4.330 4.320 -0.002 0.000 0.260 528 K C -1.731 174.890 176.600 0.036 0.000 0.989 528 K CA -0.659 55.647 56.287 0.032 0.000 0.888 528 K CB -0.028 32.497 32.500 0.042 0.000 0.983 528 K HN -0.284 nan 8.250 nan 0.000 0.515 529 P HA -0.151 nan 4.420 nan 0.000 0.217 529 P C 0.406 177.731 177.300 0.041 0.000 1.151 529 P CA 1.659 64.779 63.100 0.033 0.000 0.849 529 P CB 0.160 31.874 31.700 0.023 0.000 0.787 530 M N -1.145 118.487 119.600 0.053 0.000 3.269 530 M HA 0.324 4.803 4.480 -0.002 0.000 0.340 530 M C -0.093 176.306 176.300 0.166 0.000 1.662 530 M CA -0.239 55.098 55.300 0.061 0.000 0.547 530 M CB 1.520 34.121 32.600 0.003 0.000 1.449 530 M HN -0.135 nan 8.290 nan 0.000 0.459 531 G N 0.067 108.972 108.800 0.174 0.000 2.788 531 G HA2 0.667 4.626 3.960 -0.002 0.000 0.293 531 G HA3 0.667 4.626 3.960 -0.002 0.000 0.293 531 G C 0.618 175.546 174.900 0.048 0.000 1.305 531 G CA -0.763 44.440 45.100 0.170 0.000 1.005 531 G HN 0.376 nan 8.290 nan 0.000 0.496 532 I N -0.275 120.236 120.570 -0.100 0.000 4.591 532 I HA -0.408 3.761 4.170 -0.002 0.000 0.084 532 I C 2.817 179.021 176.117 0.146 0.000 0.669 532 I CA 1.768 63.070 61.300 0.003 0.000 0.708 532 I CB -0.688 37.267 38.000 -0.075 0.000 0.599 532 I HN 0.432 nan 8.210 nan 0.000 0.247 533 L N 0.529 121.809 121.223 0.094 0.000 2.198 533 L HA -0.345 3.994 4.340 -0.002 0.000 0.218 533 L C 2.675 179.633 176.870 0.146 0.000 1.084 533 L CA 2.064 56.976 54.840 0.120 0.000 0.779 533 L CB -1.041 41.007 42.059 -0.018 0.000 0.890 533 L HN 0.699 nan 8.230 nan 0.000 0.439 534 S N -0.004 115.759 115.700 0.104 0.000 2.355 534 S HA -0.125 4.344 4.470 -0.002 0.000 0.222 534 S C 1.923 176.597 174.600 0.123 0.000 1.031 534 S CA 1.201 59.461 58.200 0.100 0.000 0.993 534 S CB -0.615 62.628 63.200 0.072 0.000 0.859 534 S HN 0.425 nan 8.310 nan 0.000 0.453 535 I N 1.120 121.759 120.570 0.117 0.000 2.315 535 I HA -0.078 4.091 4.170 -0.002 0.000 0.248 535 I C 2.522 178.786 176.117 0.244 0.000 1.117 535 I CA 0.944 62.292 61.300 0.081 0.000 1.404 535 I CB -0.472 37.481 38.000 -0.079 0.000 1.071 535 I HN 0.292 nan 8.210 nan 0.000 0.419 536 L N 0.852 122.344 121.223 0.447 0.000 2.261 536 L HA -0.178 4.161 4.340 -0.002 0.000 0.216 536 L C 2.364 179.420 176.870 0.312 0.000 1.114 536 L CA 1.755 57.001 54.840 0.676 0.000 0.777 536 L CB -0.500 41.859 42.059 0.502 0.000 0.910 536 L HN 0.159 nan 8.230 nan 0.000 0.440 537 E N -0.259 120.068 120.200 0.211 0.000 2.170 537 E HA -0.122 4.227 4.350 -0.002 0.000 0.191 537 E C 1.834 178.480 176.600 0.077 0.000 0.981 537 E CA 0.845 57.319 56.400 0.123 0.000 0.830 537 E CB 0.012 29.788 29.700 0.128 0.000 0.775 537 E HN 0.684 nan 8.360 nan 0.000 0.470 538 E N 1.289 121.562 120.200 0.122 0.000 1.998 538 E HA -0.162 4.187 4.350 -0.002 0.000 0.195 538 E C 1.891 178.604 176.600 0.188 0.000 0.994 538 E CA 0.704 57.170 56.400 0.110 0.000 0.835 538 E CB -0.144 29.677 29.700 0.201 0.000 0.786 538 E HN 0.038 nan 8.360 nan 0.000 0.467 539 E N 0.686 121.086 120.200 0.333 0.000 2.132 539 E HA -0.311 4.038 4.350 -0.002 0.000 0.218 539 E C 2.178 178.926 176.600 0.246 0.000 1.058 539 E CA 1.216 57.842 56.400 0.375 0.000 0.882 539 E CB -1.214 28.759 29.700 0.455 0.000 0.774 539 E HN 0.335 nan 8.360 nan 0.000 0.467 540 C N 0.309 119.702 119.300 0.154 0.000 2.393 540 C HA -0.127 4.332 4.460 -0.002 0.000 0.292 540 C C 2.512 177.489 174.990 -0.021 0.000 1.347 540 C CA 0.834 59.876 59.018 0.041 0.000 1.810 540 C CB -0.953 26.790 27.740 0.005 0.000 1.899 540 C HN 0.378 nan 8.230 nan 0.000 0.532 541 M N -1.858 117.704 119.600 -0.063 0.000 2.492 541 M HA 0.208 4.687 4.480 -0.002 0.000 0.255 541 M C -0.266 175.892 176.300 -0.237 0.000 1.139 541 M CA 0.472 55.643 55.300 -0.215 0.000 1.096 541 M CB 0.007 32.396 32.600 -0.352 0.000 1.360 541 M HN 0.217 nan 8.290 nan 0.000 0.480 542 F N 0.858 120.803 119.950 -0.008 0.000 2.425 542 F HA 0.294 4.820 4.527 -0.002 0.000 0.354 542 F C -1.629 174.166 175.800 -0.008 0.000 1.162 542 F CA -2.214 55.781 58.000 -0.007 0.000 1.250 542 F CB -0.510 38.490 39.000 -0.001 0.000 1.579 542 F HN -0.089 nan 8.300 nan 0.000 0.589 543 P HA -0.327 nan 4.420 nan 0.000 0.237 543 P C 0.707 178.057 177.300 0.083 0.000 1.091 543 P CA 2.104 65.249 63.100 0.076 0.000 1.015 543 P CB -0.085 31.645 31.700 0.050 0.000 0.745 544 K N -0.964 119.496 120.400 0.100 0.000 3.319 544 K HA 0.296 4.615 4.320 -0.002 0.000 0.296 544 K C 0.089 176.720 176.600 0.053 0.000 0.916 544 K CA 0.040 56.360 56.287 0.055 0.000 1.103 544 K CB -0.599 31.919 32.500 0.030 0.000 1.142 544 K HN 0.029 nan 8.250 nan 0.000 0.416 545 A N 1.330 124.199 122.820 0.082 0.000 2.289 545 A HA 0.339 4.658 4.320 -0.002 0.000 0.298 545 A C -0.115 177.501 177.584 0.054 0.000 1.208 545 A CA -0.604 51.487 52.037 0.090 0.000 0.845 545 A CB 0.783 19.858 19.000 0.126 0.000 1.125 545 A HN 0.504 nan 8.150 nan 0.000 0.517 546 S N 1.657 117.385 115.700 0.048 0.000 2.532 546 S HA 0.427 4.896 4.470 -0.002 0.000 0.301 546 S C -0.000 174.629 174.600 0.049 0.000 1.083 546 S CA -0.620 57.599 58.200 0.031 0.000 1.025 546 S CB 1.299 64.505 63.200 0.009 0.000 1.056 546 S HN 0.560 nan 8.310 nan 0.000 0.494 547 D N 2.656 123.067 120.400 0.019 0.000 2.084 547 D HA -0.072 4.567 4.640 -0.002 0.000 0.194 547 D C 1.781 178.084 176.300 0.004 0.000 0.990 547 D CA 1.843 55.847 54.000 0.007 0.000 0.826 547 D CB -1.029 39.742 40.800 -0.049 0.000 0.971 547 D HN 0.729 nan 8.370 nan 0.000 0.453 548 T N 0.397 114.937 114.554 -0.024 0.000 2.760 548 T HA -0.197 4.152 4.350 -0.002 0.000 0.269 548 T C 2.005 176.690 174.700 -0.025 0.000 1.047 548 T CA 1.569 63.647 62.100 -0.036 0.000 1.139 548 T CB -0.281 68.578 68.868 -0.016 0.000 0.855 548 T HN 0.080 nan 8.240 nan 0.000 0.471 549 S N 0.464 116.164 115.700 0.000 0.000 2.348 549 S HA -0.094 4.375 4.470 -0.002 0.000 0.221 549 S C 1.691 176.279 174.600 -0.020 0.000 1.033 549 S CA 0.921 59.115 58.200 -0.011 0.000 1.010 549 S CB -0.581 62.624 63.200 0.009 0.000 0.891 549 S HN 0.486 nan 8.310 nan 0.000 0.442 550 F N 2.833 122.729 119.950 -0.089 0.000 2.250 550 F HA -0.049 4.477 4.527 -0.002 0.000 0.301 550 F C 2.118 177.818 175.800 -0.168 0.000 1.077 550 F CA 1.847 59.788 58.000 -0.099 0.000 1.348 550 F CB -0.171 38.771 39.000 -0.096 0.000 1.040 550 F HN 0.362 nan 8.300 nan 0.000 0.509 551 K N -0.807 119.473 120.400 -0.201 0.000 2.356 551 K HA -0.032 4.287 4.320 -0.002 0.000 0.195 551 K C 1.570 177.984 176.600 -0.310 0.000 1.037 551 K CA 0.657 56.697 56.287 -0.411 0.000 1.014 551 K CB -0.295 31.892 32.500 -0.520 0.000 0.815 551 K HN 0.131 nan 8.250 nan 0.000 0.507 552 N N 2.054 120.665 118.700 -0.148 0.000 2.080 552 N HA -0.155 4.584 4.740 -0.002 0.000 0.189 552 N C 1.599 177.038 175.510 -0.118 0.000 1.036 552 N CA 1.375 54.396 53.050 -0.049 0.000 0.846 552 N CB -0.118 38.344 38.487 -0.040 0.000 1.015 552 N HN 0.251 nan 8.380 nan 0.000 0.423 553 K N 1.146 121.420 120.400 -0.211 0.000 1.991 553 K HA -0.064 4.255 4.320 -0.002 0.000 0.212 553 K C 2.201 178.628 176.600 -0.288 0.000 1.049 553 K CA 1.013 57.156 56.287 -0.240 0.000 0.932 553 K CB -0.254 32.088 32.500 -0.264 0.000 0.717 553 K HN 0.041 nan 8.250 nan 0.000 0.441 554 L N -0.438 120.524 121.223 -0.434 0.000 1.944 554 L HA -0.283 4.056 4.340 -0.002 0.000 0.218 554 L C 2.358 179.115 176.870 -0.189 0.000 1.075 554 L CA 1.964 56.604 54.840 -0.334 0.000 0.767 554 L CB -1.115 40.691 42.059 -0.422 0.000 0.890 554 L HN 0.347 nan 8.230 nan 0.000 0.434 555 Y N 0.208 120.487 120.300 -0.035 0.000 2.062 555 Y HA -0.440 4.109 4.550 -0.002 0.000 0.273 555 Y C 2.701 178.508 175.900 -0.155 0.000 1.206 555 Y CA 1.252 59.373 58.100 0.034 0.000 1.125 555 Y CB -0.377 38.146 38.460 0.105 0.000 0.951 555 Y HN 0.369 nan 8.280 nan 0.000 0.501 556 D N 0.012 120.428 120.400 0.027 0.000 2.212 556 D HA -0.219 4.420 4.640 -0.002 0.000 0.197 556 D C 1.700 177.880 176.300 -0.201 0.000 1.004 556 D CA 1.759 55.713 54.000 -0.077 0.000 0.864 556 D CB -0.603 40.141 40.800 -0.094 0.000 1.027 556 D HN 0.193 nan 8.370 nan 0.000 0.455 557 N N -0.262 118.250 118.700 -0.313 0.000 2.023 557 N HA -0.195 4.544 4.740 -0.002 0.000 0.200 557 N C 1.863 176.996 175.510 -0.629 0.000 1.048 557 N CA 1.607 54.352 53.050 -0.507 0.000 0.872 557 N CB -0.836 37.224 38.487 -0.712 0.000 1.070 557 N HN 0.541 nan 8.380 nan 0.000 0.441 558 H N 0.031 118.832 119.070 -0.448 0.000 2.431 558 H HA 0.083 4.638 4.556 -0.002 0.000 0.295 558 H C 1.688 176.650 175.328 -0.610 0.000 1.038 558 H CA -0.138 55.549 56.048 -0.602 0.000 1.360 558 H CB -0.561 28.654 29.762 -0.913 0.000 1.433 558 H HN 0.062 nan 8.280 nan 0.000 0.536 559 L N 0.776 121.651 121.223 -0.579 0.000 4.797 559 L HA -0.255 4.084 4.340 -0.002 0.000 0.053 559 L C 1.377 178.357 176.870 0.183 0.000 2.296 559 L CA 1.993 56.819 54.840 -0.023 0.000 1.953 559 L CB -0.803 41.280 42.059 0.040 0.000 2.428 559 L HN 0.386 nan 8.230 nan 0.000 0.767 560 G N -0.293 108.602 108.800 0.157 0.000 3.102 560 G HA2 0.312 4.271 3.960 -0.002 0.000 0.264 560 G HA3 0.312 4.271 3.960 -0.002 0.000 0.264 560 G C 0.514 175.473 174.900 0.098 0.000 0.788 560 G CA 0.388 45.584 45.100 0.159 0.000 2.029 560 G HN 0.613 nan 8.290 nan 0.000 0.608 561 K N -0.059 120.399 120.400 0.096 0.000 2.585 561 K HA 0.077 4.396 4.320 -0.002 0.000 0.210 561 K C 0.346 176.998 176.600 0.087 0.000 1.294 561 K CA -0.222 56.099 56.287 0.056 0.000 1.025 561 K CB 0.763 33.256 32.500 -0.011 0.000 1.076 561 K HN 0.242 nan 8.250 nan 0.000 0.613 562 N N 0.880 119.668 118.700 0.148 0.000 2.636 562 N HA 0.157 4.896 4.740 -0.002 0.000 0.287 562 N C -2.551 173.090 175.510 0.217 0.000 1.817 562 N CA -1.839 51.310 53.050 0.165 0.000 0.842 562 N CB 0.687 39.278 38.487 0.173 0.000 1.353 562 N HN -0.250 nan 8.380 nan 0.000 0.500 563 P HA -0.334 nan 4.420 nan 0.000 0.231 563 P C 1.023 178.522 177.300 0.332 0.000 0.788 563 P CA 2.000 65.236 63.100 0.227 0.000 1.121 563 P CB -0.124 31.667 31.700 0.152 0.000 0.601 564 M N -3.049 116.731 119.600 0.301 0.000 2.800 564 M HA 0.022 4.501 4.480 -0.002 0.000 0.235 564 M C 0.624 177.122 176.300 0.329 0.000 1.057 564 M CA 0.998 56.493 55.300 0.326 0.000 1.066 564 M CB -1.406 31.317 32.600 0.205 0.000 1.558 564 M HN 0.012 nan 8.290 nan 0.000 0.551 565 F N 0.056 120.134 119.950 0.212 0.000 2.536 565 F HA 0.649 5.175 4.527 -0.002 0.000 0.322 565 F C -0.122 175.825 175.800 0.245 0.000 1.144 565 F CA -0.506 57.618 58.000 0.207 0.000 0.924 565 F CB 1.379 40.474 39.000 0.159 0.000 1.181 565 F HN 0.032 nan 8.300 nan 0.000 0.438 566 G N 4.344 113.040 108.800 -0.173 0.000 2.606 566 G HA2 0.280 4.239 3.960 -0.002 0.000 0.300 566 G HA3 0.280 4.239 3.960 -0.002 0.000 0.300 566 G C -1.779 173.102 174.900 -0.033 0.000 1.360 566 G CA -1.191 43.931 45.100 0.038 0.000 0.783 566 G HN 0.515 nan 8.290 nan 0.000 0.484 567 K N 1.882 122.325 120.400 0.072 0.000 2.447 567 K HA 0.202 4.521 4.320 -0.002 0.000 0.281 567 K C -2.091 174.528 176.600 0.033 0.000 1.031 567 K CA -0.701 55.624 56.287 0.062 0.000 1.019 567 K CB 0.772 33.307 32.500 0.059 0.000 0.918 567 K HN 0.245 nan 8.250 nan 0.000 0.476 568 P HA 0.100 nan 4.420 nan 0.000 0.275 568 P C -0.830 176.463 177.300 -0.012 0.000 1.227 568 P CA -0.228 62.852 63.100 -0.034 0.000 0.781 568 P CB 0.833 32.488 31.700 -0.074 0.000 0.906 569 K N 2.939 123.329 120.400 -0.018 0.000 2.126 569 K HA 0.436 4.755 4.320 -0.002 0.000 0.257 569 K C -1.910 174.683 176.600 -0.011 0.000 1.007 569 K CA -1.363 54.923 56.287 -0.001 0.000 0.928 569 K CB -0.110 32.394 32.500 0.006 0.000 1.013 569 K HN 0.459 nan 8.250 nan 0.000 0.473 570 P HA 0.390 nan 4.420 nan 0.000 0.285 570 P C -2.383 174.921 177.300 0.006 0.000 1.285 570 P CA -1.182 61.919 63.100 0.002 0.000 0.854 570 P CB 0.631 32.335 31.700 0.007 0.000 1.180 571 P HA 0.408 nan 4.420 nan 0.000 0.212 571 P C 0.786 178.088 177.300 0.003 0.000 1.131 571 P CA 0.403 63.508 63.100 0.009 0.000 0.746 571 P CB 0.755 32.463 31.700 0.012 0.000 1.047 572 K N -2.863 117.537 120.400 -0.000 0.000 3.010 572 K HA 0.520 4.839 4.320 -0.002 0.000 0.205 572 K C 0.016 176.615 176.600 -0.003 0.000 1.704 572 K CA 0.758 57.044 56.287 -0.002 0.000 1.297 572 K CB 0.259 32.757 32.500 -0.004 0.000 2.032 572 K HN 0.099 nan 8.250 nan 0.000 0.573 573 A N 0.723 123.538 122.820 -0.008 0.000 2.405 573 A HA 0.354 4.673 4.320 -0.002 0.000 0.224 573 A C -0.098 177.474 177.584 -0.020 0.000 1.245 573 A CA 0.092 52.123 52.037 -0.010 0.000 1.203 573 A CB 0.466 19.460 19.000 -0.009 0.000 1.108 573 A HN 0.330 nan 8.150 nan 0.000 0.451 574 G N -2.776 106.011 108.800 -0.022 0.000 2.788 574 G HA2 0.501 4.460 3.960 -0.002 0.000 0.293 574 G HA3 0.501 4.460 3.960 -0.002 0.000 0.293 574 G C 0.763 175.635 174.900 -0.047 0.000 1.305 574 G CA 0.187 45.266 45.100 -0.035 0.000 1.005 574 G HN 0.923 nan 8.290 nan 0.000 0.496 575 C N -1.401 117.851 119.300 -0.080 0.000 5.885 575 C HA 0.082 4.541 4.460 -0.002 0.000 0.328 575 C C 1.301 176.137 174.990 -0.257 0.000 2.433 575 C CA 1.910 60.852 59.018 -0.128 0.000 2.197 575 C CB -1.512 26.238 27.740 0.017 0.000 3.236 575 C HN 2.770 nan 8.230 nan 0.000 0.260 576 A N -1.002 121.754 122.820 -0.106 0.000 2.462 576 A HA 0.425 4.744 4.320 -0.002 0.000 0.307 576 A C -0.620 176.980 177.584 0.027 0.000 0.893 576 A CA 0.444 52.434 52.037 -0.078 0.000 0.531 576 A CB -0.767 18.102 19.000 -0.218 0.000 1.518 576 A HN 1.078 nan 8.150 nan 0.000 0.529 577 E N 0.320 120.533 120.200 0.021 0.000 2.351 577 E HA 0.454 4.803 4.350 -0.002 0.000 0.266 577 E C 0.410 176.832 176.600 -0.297 0.000 1.031 577 E CA 0.418 56.793 56.400 -0.042 0.000 0.911 577 E CB 0.564 30.298 29.700 0.057 0.000 0.986 577 E HN 1.355 nan 8.360 nan 0.000 0.446 578 A N 4.618 127.238 122.820 -0.333 0.000 2.256 578 A HA 0.400 4.719 4.320 -0.002 0.000 0.318 578 A C -0.191 177.008 177.584 -0.641 0.000 1.103 578 A CA -0.438 51.302 52.037 -0.495 0.000 0.860 578 A CB 0.699 19.567 19.000 -0.220 0.000 1.182 578 A HN 0.893 nan 8.150 nan 0.000 0.501 579 H N -0.764 118.289 119.070 -0.028 0.000 1.955 579 H HA 0.216 4.772 4.556 -0.002 0.000 0.196 579 H C -0.656 174.785 175.328 0.189 0.000 0.891 579 H CA 0.809 56.929 56.048 0.120 0.000 1.001 579 H CB 0.159 29.970 29.762 0.081 0.000 1.195 579 H HN 0.658 nan 8.280 nan 0.000 0.384 580 F N 1.618 121.625 119.950 0.095 0.000 2.556 580 F HA 0.526 5.053 4.527 -0.002 0.000 0.314 580 F C -0.221 175.501 175.800 -0.131 0.000 1.106 580 F CA -2.120 55.771 58.000 -0.183 0.000 0.911 580 F CB 0.876 39.556 39.000 -0.533 0.000 1.190 580 F HN 0.087 nan 8.300 nan 0.000 0.448 581 C N 4.081 123.264 119.300 -0.195 0.000 2.225 581 C HA 0.667 5.126 4.460 -0.002 0.000 0.328 581 C C 0.080 174.965 174.990 -0.175 0.000 1.187 581 C CA -0.987 57.914 59.018 -0.194 0.000 1.665 581 C CB -0.264 27.330 27.740 -0.243 0.000 2.253 581 C HN 0.948 nan 8.230 nan 0.000 0.497 582 L N 6.182 127.520 121.223 0.192 0.000 2.404 582 L HA 0.253 4.592 4.340 -0.002 0.000 0.277 582 L C 0.717 177.686 176.870 0.165 0.000 1.184 582 L CA 0.476 55.463 54.840 0.246 0.000 1.013 582 L CB -0.840 41.513 42.059 0.491 0.000 1.318 582 L HN 0.683 nan 8.230 nan 0.000 0.435 583 H N 4.543 123.750 119.070 0.229 0.000 3.157 583 H HA 0.061 4.616 4.556 -0.002 0.000 0.299 583 H C 0.247 175.697 175.328 0.204 0.000 0.961 583 H CA 0.633 56.813 56.048 0.221 0.000 1.428 583 H CB 0.303 30.159 29.762 0.156 0.000 1.459 583 H HN 0.606 nan 8.280 nan 0.000 0.566 584 H N 1.405 120.683 119.070 0.348 0.000 3.547 584 H HA -0.023 4.532 4.556 -0.002 0.000 0.202 584 H C 0.684 176.227 175.328 0.359 0.000 1.614 584 H CA -0.491 55.794 56.048 0.394 0.000 1.663 584 H CB 0.520 30.588 29.762 0.510 0.000 1.038 584 H HN 0.533 nan 8.280 nan 0.000 0.903 585 Y N 0.590 121.213 120.300 0.539 0.000 2.197 585 Y HA 0.067 4.616 4.550 -0.001 0.000 0.281 585 Y C 2.457 178.347 175.900 -0.015 0.000 1.099 585 Y CA 1.549 59.820 58.100 0.285 0.000 1.092 585 Y CB -0.859 37.865 38.460 0.441 0.000 1.028 585 Y HN 0.622 nan 8.280 nan 0.000 0.489 586 A N -0.014 122.577 122.820 -0.381 0.000 1.883 586 A HA -0.162 4.157 4.320 -0.002 0.000 0.222 586 A C 1.966 179.376 177.584 -0.290 0.000 1.339 586 A CA 3.222 54.873 52.037 -0.642 0.000 0.692 586 A CB -1.572 16.901 19.000 -0.879 0.000 0.845 586 A HN 0.734 nan 8.150 nan 0.000 0.467 587 G N -3.447 105.307 108.800 -0.078 0.000 3.246 587 G HA2 0.479 4.438 3.960 -0.002 0.000 0.160 587 G HA3 0.479 4.438 3.960 -0.002 0.000 0.160 587 G C -0.182 174.821 174.900 0.173 0.000 1.458 587 G CA 1.060 46.169 45.100 0.015 0.000 1.139 587 G HN 1.787 nan 8.290 nan 0.000 0.750 588 S N -0.828 114.981 115.700 0.181 0.000 2.583 588 S HA 0.601 5.071 4.470 -0.002 0.000 0.294 588 S C -1.364 173.303 174.600 0.111 0.000 1.121 588 S CA -0.611 57.744 58.200 0.257 0.000 0.910 588 S CB 1.520 64.939 63.200 0.364 0.000 1.102 588 S HN 0.961 nan 8.310 nan 0.000 0.451 589 V N 1.455 121.427 119.914 0.096 0.000 2.919 589 V HA 0.807 4.926 4.120 -0.002 0.000 0.316 589 V C 0.026 175.966 176.094 -0.256 0.000 1.077 589 V CA -0.804 61.393 62.300 -0.171 0.000 0.977 589 V CB 2.131 33.697 31.823 -0.429 0.000 1.039 589 V HN 0.966 nan 8.190 nan 0.000 0.441 590 S N 1.340 116.811 115.700 -0.381 0.000 2.456 590 S HA 0.716 5.185 4.470 -0.002 0.000 0.316 590 S C -1.225 173.075 174.600 -0.501 0.000 1.089 590 S CA -0.321 57.680 58.200 -0.331 0.000 1.101 590 S CB 0.600 63.680 63.200 -0.199 0.000 0.995 590 S HN 0.521 nan 8.310 nan 0.000 0.468 591 Y N 1.359 121.352 120.300 -0.512 0.000 2.457 591 Y HA 0.518 5.067 4.550 -0.002 0.000 0.333 591 Y C 0.857 176.505 175.900 -0.420 0.000 1.119 591 Y CA -0.718 57.107 58.100 -0.459 0.000 1.143 591 Y CB 1.349 39.493 38.460 -0.526 0.000 1.230 591 Y HN 0.585 nan 8.280 nan 0.000 0.469 592 S N 1.804 117.468 115.700 -0.059 0.000 2.437 592 S HA 0.392 4.861 4.470 -0.002 0.000 0.305 592 S C 0.359 174.871 174.600 -0.146 0.000 1.109 592 S CA -0.661 57.510 58.200 -0.049 0.000 1.099 592 S CB 0.441 63.594 63.200 -0.078 0.000 1.004 592 S HN 0.747 nan 8.310 nan 0.000 0.475 593 I N 2.952 123.547 120.570 0.042 0.000 2.830 593 I HA -0.022 4.147 4.170 -0.002 0.000 0.263 593 I C 2.271 178.173 176.117 -0.358 0.000 1.230 593 I CA 0.502 61.497 61.300 -0.510 0.000 1.480 593 I CB -0.678 37.088 38.000 -0.390 0.000 1.095 593 I HN 0.958 nan 8.210 nan 0.000 0.455 594 A N 1.620 124.452 122.820 0.020 0.000 2.216 594 A HA -0.217 4.102 4.320 -0.002 0.000 0.329 594 A C 1.568 179.223 177.584 0.119 0.000 1.374 594 A CA 1.102 53.233 52.037 0.157 0.000 1.152 594 A CB -1.826 17.388 19.000 0.356 0.000 0.901 594 A HN 0.886 nan 8.150 nan 0.000 0.365 595 G N -4.196 104.609 108.800 0.009 0.000 2.203 595 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.231 595 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.231 595 G C 0.283 175.216 174.900 0.056 0.000 1.058 595 G CA 0.379 45.493 45.100 0.023 0.000 0.781 595 G HN 0.597 nan 8.290 nan 0.000 0.496 596 W N 0.185 121.302 121.300 -0.304 0.000 2.342 596 W HA 0.042 4.701 4.660 -0.002 0.000 0.297 596 W C 2.584 178.733 176.519 -0.618 0.000 1.213 596 W CA 1.510 58.504 57.345 -0.586 0.000 1.251 596 W CB -0.786 28.252 29.460 -0.703 0.000 1.136 596 W HN 0.437 nan 8.180 nan 0.000 0.526 597 L N -0.415 120.679 121.223 -0.214 0.000 2.042 597 L HA -0.230 4.109 4.340 -0.002 0.000 0.210 597 L C 2.053 178.841 176.870 -0.136 0.000 1.076 597 L CA 1.618 56.352 54.840 -0.177 0.000 0.749 597 L CB -1.190 40.816 42.059 -0.088 0.000 0.893 597 L HN -0.081 nan 8.230 nan 0.000 0.432 598 D N 0.409 120.753 120.400 -0.094 0.000 2.084 598 D HA -0.133 4.506 4.640 -0.002 0.000 0.196 598 D C 2.211 178.456 176.300 -0.091 0.000 0.985 598 D CA 1.046 55.008 54.000 -0.064 0.000 0.826 598 D CB -0.133 40.651 40.800 -0.027 0.000 0.978 598 D HN 0.233 nan 8.370 nan 0.000 0.456 599 K N 0.578 120.903 120.400 -0.124 0.000 2.034 599 K HA -0.191 4.128 4.320 -0.002 0.000 0.214 599 K C 1.955 178.425 176.600 -0.217 0.000 1.051 599 K CA 1.019 57.217 56.287 -0.147 0.000 0.931 599 K CB -0.284 32.110 32.500 -0.177 0.000 0.715 599 K HN 0.023 nan 8.250 nan 0.000 0.446 600 N N 1.995 120.402 118.700 -0.487 0.000 2.000 600 N HA -0.152 4.587 4.740 -0.002 0.000 0.198 600 N C 0.046 175.513 175.510 -0.071 0.000 1.057 600 N CA 1.475 54.327 53.050 -0.330 0.000 0.858 600 N CB -0.246 38.000 38.487 -0.401 0.000 1.057 600 N HN 0.259 nan 8.380 nan 0.000 0.423 601 K N 0.811 121.163 120.400 -0.081 0.000 2.297 601 K HA 0.160 4.479 4.320 -0.002 0.000 0.286 601 K C -0.609 175.978 176.600 -0.022 0.000 1.053 601 K CA -0.636 55.627 56.287 -0.040 0.000 0.940 601 K CB 0.921 33.386 32.500 -0.058 0.000 1.019 601 K HN -0.015 nan 8.250 nan 0.000 0.475 602 D N 4.034 124.433 120.400 -0.001 0.000 2.417 602 D HA 0.163 4.802 4.640 -0.002 0.000 0.250 602 D C -1.965 174.332 176.300 -0.005 0.000 1.166 602 D CA -1.380 52.625 54.000 0.009 0.000 0.881 602 D CB 0.721 41.536 40.800 0.024 0.000 1.164 602 D HN 0.445 nan 8.370 nan 0.000 0.467 603 P HA 0.653 nan 4.420 nan 0.000 0.332 603 P C -0.797 176.500 177.300 -0.004 0.000 1.298 603 P CA -0.670 62.424 63.100 -0.009 0.000 0.755 603 P CB 0.728 32.422 31.700 -0.009 0.000 1.465 604 I N -1.409 119.156 120.570 -0.008 0.000 5.426 604 I HA -0.119 4.050 4.170 -0.002 0.000 0.315 604 I C -1.114 174.995 176.117 -0.014 0.000 1.965 604 I CA -0.675 60.621 61.300 -0.006 0.000 1.487 604 I CB -0.168 37.833 38.000 0.001 0.000 3.245 604 I HN 0.246 nan 8.210 nan 0.000 0.523 605 N N 6.877 125.566 118.700 -0.018 0.000 2.381 605 N HA -0.020 4.719 4.740 -0.002 0.000 0.288 605 N C 0.968 176.466 175.510 -0.021 0.000 1.346 605 N CA 0.485 53.522 53.050 -0.022 0.000 0.970 605 N CB 0.404 38.876 38.487 -0.026 0.000 1.351 605 N HN 0.620 nan 8.380 nan 0.000 0.488 606 E N 1.036 121.222 120.200 -0.023 0.000 2.339 606 E HA -0.232 4.117 4.350 -0.002 0.000 0.201 606 E C 0.822 177.402 176.600 -0.033 0.000 1.015 606 E CA 0.623 57.005 56.400 -0.029 0.000 0.841 606 E CB 0.084 29.767 29.700 -0.028 0.000 0.754 606 E HN 0.436 nan 8.360 nan 0.000 0.508 607 N N 0.470 119.155 118.700 -0.025 0.000 2.106 607 N HA -0.109 4.630 4.740 -0.002 0.000 0.188 607 N C 1.903 177.397 175.510 -0.027 0.000 1.029 607 N CA 0.975 54.010 53.050 -0.025 0.000 0.848 607 N CB -0.129 38.349 38.487 -0.015 0.000 1.007 607 N HN 0.057 nan 8.380 nan 0.000 0.423 608 V N 0.746 120.647 119.914 -0.021 0.000 2.358 608 V HA -0.136 3.983 4.120 -0.002 0.000 0.246 608 V C 2.486 178.565 176.094 -0.026 0.000 1.047 608 V CA 0.937 63.228 62.300 -0.015 0.000 1.035 608 V CB -0.536 31.285 31.823 -0.004 0.000 0.658 608 V HN 0.015 nan 8.190 nan 0.000 0.452 609 V N 0.320 120.215 119.914 -0.032 0.000 2.220 609 V HA -0.293 3.826 4.120 -0.002 0.000 0.250 609 V C 2.652 178.696 176.094 -0.083 0.000 1.056 609 V CA 2.321 64.591 62.300 -0.049 0.000 1.016 609 V CB -0.715 31.079 31.823 -0.048 0.000 0.639 609 V HN 0.584 nan 8.190 nan 0.000 0.446 610 E N -0.169 119.979 120.200 -0.086 0.000 2.160 610 E HA -0.242 4.107 4.350 -0.002 0.000 0.195 610 E C 2.051 178.589 176.600 -0.103 0.000 0.991 610 E CA 1.366 57.698 56.400 -0.113 0.000 0.810 610 E CB -0.454 29.191 29.700 -0.092 0.000 0.742 610 E HN 0.565 nan 8.360 nan 0.000 0.466 611 L N 0.169 121.353 121.223 -0.066 0.000 2.291 611 L HA -0.018 4.322 4.340 -0.002 0.000 0.214 611 L C 2.034 178.877 176.870 -0.046 0.000 1.120 611 L CA 1.046 55.858 54.840 -0.047 0.000 0.799 611 L CB -0.219 41.827 42.059 -0.022 0.000 0.925 611 L HN 0.006 nan 8.230 nan 0.000 0.446 612 L N -0.640 120.551 121.223 -0.053 0.000 2.072 612 L HA -0.116 4.223 4.340 -0.002 0.000 0.205 612 L C 2.084 178.920 176.870 -0.057 0.000 1.079 612 L CA 0.766 55.584 54.840 -0.035 0.000 0.752 612 L CB -0.439 41.606 42.059 -0.024 0.000 0.906 612 L HN 0.324 nan 8.230 nan 0.000 0.436 613 Q N 1.052 120.738 119.800 -0.191 0.000 2.633 613 Q HA -0.087 4.252 4.340 -0.002 0.000 0.214 613 Q C -0.658 175.244 176.000 -0.163 0.000 0.951 613 Q CA 0.394 55.917 55.803 -0.467 0.000 1.017 613 Q CB -0.696 27.583 28.738 -0.764 0.000 1.014 613 Q HN 0.463 nan 8.270 nan 0.000 0.591 614 N N -0.624 118.080 118.700 0.007 0.000 2.455 614 N HA 0.196 4.935 4.740 -0.002 0.000 0.285 614 N C -0.642 174.898 175.510 0.051 0.000 1.080 614 N CA 0.323 53.410 53.050 0.061 0.000 0.932 614 N CB 2.135 40.627 38.487 0.008 0.000 1.610 614 N HN 0.155 nan 8.380 nan 0.000 0.493 615 S N 1.751 117.482 115.700 0.052 0.000 7.347 615 S HA 0.043 4.512 4.470 -0.002 0.000 0.050 615 S C -1.028 173.557 174.600 -0.025 0.000 1.542 615 S CA -0.551 57.653 58.200 0.005 0.000 0.917 615 S CB 0.742 63.944 63.200 0.003 0.000 0.848 615 S HN 0.454 nan 8.310 nan 0.000 0.540 616 K N 1.136 121.519 120.400 -0.030 0.000 2.482 616 K HA 0.547 4.866 4.320 -0.002 0.000 0.251 616 K C 0.039 176.612 176.600 -0.045 0.000 0.936 616 K CA -0.310 55.942 56.287 -0.060 0.000 0.791 616 K CB 1.876 34.320 32.500 -0.095 0.000 1.213 616 K HN 0.344 nan 8.250 nan 0.000 0.428 617 E N 2.650 122.815 120.200 -0.059 0.000 2.081 617 E HA -0.260 4.089 4.350 -0.002 0.000 0.235 617 E C -1.395 175.156 176.600 -0.082 0.000 1.043 617 E CA 2.246 58.605 56.400 -0.068 0.000 0.924 617 E CB -1.414 28.245 29.700 -0.069 0.000 0.821 617 E HN 0.550 nan 8.360 nan 0.000 0.517 618 P HA -0.216 nan 4.420 nan 0.000 0.219 618 P C 1.197 178.397 177.300 -0.166 0.000 1.153 618 P CA 1.305 64.236 63.100 -0.282 0.000 0.865 618 P CB -0.056 31.358 31.700 -0.476 0.000 0.788 619 I N -1.098 119.419 120.570 -0.088 0.000 2.069 619 I HA -0.222 3.948 4.170 -0.002 0.000 0.237 619 I C 2.339 178.511 176.117 0.092 0.000 1.053 619 I CA 1.650 62.945 61.300 -0.008 0.000 1.311 619 I CB -1.547 36.462 38.000 0.015 0.000 1.030 619 I HN -0.106 nan 8.210 nan 0.000 0.398 620 V N 1.326 121.328 119.914 0.147 0.000 2.239 620 V HA -0.391 3.728 4.120 -0.002 0.000 0.246 620 V C 2.542 178.809 176.094 0.288 0.000 1.037 620 V CA 2.590 65.100 62.300 0.350 0.000 1.012 620 V CB -0.753 31.056 31.823 -0.023 0.000 0.650 620 V HN 0.426 nan 8.190 nan 0.000 0.467 621 K N -0.796 119.619 120.400 0.024 0.000 2.163 621 K HA -0.307 4.012 4.320 -0.002 0.000 0.210 621 K C 2.047 178.742 176.600 0.159 0.000 1.048 621 K CA 2.295 58.631 56.287 0.083 0.000 0.928 621 K CB -0.407 32.198 32.500 0.174 0.000 0.716 621 K HN 0.455 nan 8.250 nan 0.000 0.459 622 M N 0.169 119.831 119.600 0.103 0.000 2.086 622 M HA -0.140 4.339 4.480 -0.002 0.000 0.261 622 M C 1.839 178.199 176.300 0.100 0.000 1.067 622 M CA 1.552 56.896 55.300 0.073 0.000 1.116 622 M CB -0.088 32.497 32.600 -0.024 0.000 1.348 622 M HN 0.137 nan 8.290 nan 0.000 0.407 623 L N -2.276 119.024 121.223 0.127 0.000 2.693 623 L HA 0.139 4.478 4.340 -0.002 0.000 0.235 623 L C 0.719 177.621 176.870 0.054 0.000 1.127 623 L CA -0.207 54.672 54.840 0.066 0.000 0.914 623 L CB -0.084 41.980 42.059 0.009 0.000 1.193 623 L HN 0.122 nan 8.230 nan 0.000 0.502 624 F N 2.062 122.015 119.950 0.004 0.000 2.726 624 F HA -0.022 4.504 4.527 -0.002 0.000 0.296 624 F C 1.315 177.118 175.800 0.006 0.000 1.250 624 F CA -0.317 57.684 58.000 0.003 0.000 1.434 624 F CB -0.825 38.176 39.000 0.002 0.000 1.043 624 F HN 0.108 nan 8.300 nan 0.000 0.508 625 T N 1.423 116.063 114.554 0.143 0.000 2.155 625 T HA 0.021 4.370 4.350 -0.002 0.000 0.227 625 T C -2.161 172.596 174.700 0.095 0.000 1.026 625 T CA -0.584 61.573 62.100 0.096 0.000 1.465 625 T CB -0.455 68.444 68.868 0.052 0.000 1.016 625 T HN 0.454 nan 8.240 nan 0.000 0.405 644 F N 1.334 121.283 119.950 -0.002 0.000 2.371 644 F HA 0.560 5.086 4.527 -0.001 0.000 0.343 644 F C 0.980 176.789 175.800 0.016 0.000 1.150 644 F CA -0.218 57.785 58.000 0.006 0.000 1.220 644 F CB 1.546 40.548 39.000 0.005 0.000 1.475 644 F HN 0.202 nan 8.300 nan 0.000 0.521 645 Q N 0.682 120.525 119.800 0.070 0.000 2.198 645 Q HA 0.081 4.420 4.340 -0.002 0.000 0.209 645 Q C 0.708 176.754 176.000 0.077 0.000 0.848 645 Q CA 0.074 55.923 55.803 0.077 0.000 0.974 645 Q CB 0.226 28.991 28.738 0.046 0.000 1.115 645 Q HN 0.345 nan 8.270 nan 0.000 0.494 646 T N 0.347 114.947 114.554 0.077 0.000 2.778 646 T HA -0.057 4.292 4.350 -0.002 0.000 0.282 646 T C 1.340 176.124 174.700 0.140 0.000 0.983 646 T CA -0.159 61.992 62.100 0.085 0.000 1.193 646 T CB -0.124 68.799 68.868 0.091 0.000 0.938 646 T HN 0.345 nan 8.240 nan 0.000 0.523 647 I N 5.228 125.892 120.570 0.156 0.000 2.479 647 I HA -0.199 3.970 4.170 -0.002 0.000 0.258 647 I C 2.414 178.655 176.117 0.206 0.000 1.165 647 I CA 1.982 63.395 61.300 0.189 0.000 1.422 647 I CB -0.502 37.644 38.000 0.244 0.000 1.087 647 I HN 0.877 nan 8.210 nan 0.000 0.441 648 S N -0.973 114.872 115.700 0.242 0.000 2.341 648 S HA -0.145 4.324 4.470 -0.002 0.000 0.216 648 S C 2.243 176.956 174.600 0.188 0.000 1.034 648 S CA 0.887 59.216 58.200 0.215 0.000 0.964 648 S CB -1.195 62.142 63.200 0.229 0.000 0.882 648 S HN 0.542 nan 8.310 nan 0.000 0.469 649 S N 1.959 117.763 115.700 0.174 0.000 2.381 649 S HA -0.165 4.304 4.470 -0.002 0.000 0.230 649 S C 1.878 176.547 174.600 0.116 0.000 1.052 649 S CA 1.541 59.835 58.200 0.156 0.000 1.068 649 S CB -1.414 61.920 63.200 0.225 0.000 0.918 649 S HN 0.358 nan 8.310 nan 0.000 0.448 650 V N 1.712 121.701 119.914 0.125 0.000 2.407 650 V HA -0.170 3.949 4.120 -0.002 0.000 0.248 650 V C 2.649 178.793 176.094 0.084 0.000 1.055 650 V CA 2.458 64.808 62.300 0.085 0.000 1.049 650 V CB -0.917 30.960 31.823 0.090 0.000 0.662 650 V HN 0.714 nan 8.190 nan 0.000 0.455 651 H N 0.741 119.840 119.070 0.048 0.000 2.299 651 H HA -0.093 4.462 4.556 -0.001 0.000 0.302 651 H C 2.268 177.640 175.328 0.073 0.000 1.078 651 H CA 1.972 58.051 56.048 0.053 0.000 1.323 651 H CB -0.027 29.780 29.762 0.076 0.000 1.381 651 H HN 0.360 nan 8.280 nan 0.000 0.498 652 K N 0.468 120.932 120.400 0.107 0.000 2.103 652 K HA -0.178 4.141 4.320 -0.002 0.000 0.207 652 K C 2.006 178.585 176.600 -0.035 0.000 1.048 652 K CA 1.637 57.964 56.287 0.067 0.000 0.930 652 K CB -0.114 32.450 32.500 0.106 0.000 0.716 652 K HN 0.521 nan 8.250 nan 0.000 0.444 653 E N 1.184 121.362 120.200 -0.036 0.000 1.995 653 E HA -0.219 4.130 4.350 -0.002 0.000 0.207 653 E C 2.302 178.823 176.600 -0.132 0.000 1.016 653 E CA 1.984 58.343 56.400 -0.069 0.000 0.865 653 E CB -0.278 29.391 29.700 -0.052 0.000 0.797 653 E HN 0.363 nan 8.360 nan 0.000 0.491 654 S N 1.317 116.907 115.700 -0.184 0.000 2.392 654 S HA -0.244 4.226 4.470 -0.002 0.000 0.232 654 S C 2.105 176.523 174.600 -0.303 0.000 1.041 654 S CA 1.409 59.435 58.200 -0.290 0.000 1.026 654 S CB -0.579 62.365 63.200 -0.426 0.000 0.845 654 S HN 0.230 nan 8.310 nan 0.000 0.465 655 L N 2.835 123.850 121.223 -0.346 0.000 2.043 655 L HA -0.165 4.174 4.340 -0.002 0.000 0.212 655 L C 2.115 178.880 176.870 -0.174 0.000 1.075 655 L CA 1.980 56.651 54.840 -0.282 0.000 0.752 655 L CB -1.079 40.775 42.059 -0.341 0.000 0.891 655 L HN 0.294 nan 8.230 nan 0.000 0.432 656 N N 0.020 118.634 118.700 -0.144 0.000 2.028 656 N HA -0.252 4.487 4.740 -0.002 0.000 0.194 656 N C 1.834 177.268 175.510 -0.126 0.000 1.050 656 N CA 1.563 54.545 53.050 -0.114 0.000 0.848 656 N CB -0.507 37.929 38.487 -0.086 0.000 1.038 656 N HN 0.359 nan 8.380 nan 0.000 0.423 657 K N 0.516 120.839 120.400 -0.129 0.000 2.277 657 K HA -0.219 4.100 4.320 -0.002 0.000 0.206 657 K C 1.852 178.351 176.600 -0.167 0.000 1.044 657 K CA 1.051 57.263 56.287 -0.125 0.000 0.932 657 K CB -0.123 32.295 32.500 -0.136 0.000 0.726 657 K HN 0.039 nan 8.250 nan 0.000 0.473 658 L N 0.549 121.646 121.223 -0.211 0.000 2.022 658 L HA -0.103 4.236 4.340 -0.002 0.000 0.204 658 L C 2.043 178.743 176.870 -0.282 0.000 1.076 658 L CA 1.535 56.168 54.840 -0.345 0.000 0.749 658 L CB -0.530 41.354 42.059 -0.291 0.000 0.903 658 L HN 0.138 nan 8.230 nan 0.000 0.439 659 M N -0.356 119.130 119.600 -0.190 0.000 2.260 659 M HA -0.244 4.235 4.480 -0.002 0.000 0.261 659 M C 2.049 178.357 176.300 0.014 0.000 1.066 659 M CA 1.521 56.763 55.300 -0.097 0.000 1.082 659 M CB -1.404 31.180 32.600 -0.026 0.000 1.388 659 M HN 0.297 nan 8.290 nan 0.000 0.419 660 K N 0.035 120.411 120.400 -0.040 0.000 2.007 660 K HA -0.067 4.252 4.320 -0.002 0.000 0.206 660 K C 1.953 178.594 176.600 0.068 0.000 1.047 660 K CA 0.953 57.242 56.287 0.002 0.000 0.937 660 K CB -0.188 32.301 32.500 -0.019 0.000 0.718 660 K HN 0.313 nan 8.250 nan 0.000 0.438 661 N N 1.231 119.955 118.700 0.040 0.000 2.061 661 N HA -0.171 4.568 4.740 -0.002 0.000 0.193 661 N C 1.820 177.428 175.510 0.163 0.000 1.030 661 N CA 1.263 54.413 53.050 0.167 0.000 0.856 661 N CB -0.199 38.308 38.487 0.032 0.000 1.023 661 N HN 0.149 nan 8.380 nan 0.000 0.424 662 L N -0.610 120.565 121.223 -0.081 0.000 2.217 662 L HA -0.108 4.231 4.340 -0.002 0.000 0.211 662 L C 1.349 178.067 176.870 -0.253 0.000 1.107 662 L CA 0.789 55.478 54.840 -0.253 0.000 0.783 662 L CB -0.380 41.208 42.059 -0.785 0.000 0.919 662 L HN 0.172 nan 8.230 nan 0.000 0.442 663 Y N -0.544 119.648 120.300 -0.180 0.000 2.490 663 Y HA -0.040 4.509 4.550 -0.002 0.000 0.281 663 Y C 2.363 178.353 175.900 0.150 0.000 1.174 663 Y CA 0.467 58.610 58.100 0.072 0.000 1.295 663 Y CB 0.078 38.564 38.460 0.043 0.000 1.062 663 Y HN 0.148 nan 8.280 nan 0.000 0.522 664 S N -1.384 114.469 115.700 0.256 0.000 2.582 664 S HA 0.167 4.636 4.470 -0.002 0.000 0.234 664 S C 0.412 175.118 174.600 0.176 0.000 0.961 664 S CA 0.022 58.339 58.200 0.194 0.000 0.953 664 S CB -0.648 62.641 63.200 0.149 0.000 0.800 664 S HN 0.195 nan 8.310 nan 0.000 0.471 665 T N -1.492 113.200 114.554 0.231 0.000 2.901 665 T HA 0.501 4.850 4.350 -0.002 0.000 0.293 665 T C -1.062 173.734 174.700 0.160 0.000 1.084 665 T CA -0.714 61.507 62.100 0.201 0.000 1.008 665 T CB 1.050 70.083 68.868 0.276 0.000 1.170 665 T HN 0.244 nan 8.240 nan 0.000 0.509 666 H N 2.986 122.000 119.070 -0.093 0.000 2.668 666 H HA 0.461 5.016 4.556 -0.001 0.000 0.303 666 H C -2.406 172.600 175.328 -0.536 0.000 1.074 666 H CA -1.698 54.180 56.048 -0.284 0.000 1.406 666 H CB 0.943 30.474 29.762 -0.385 0.000 1.442 666 H HN 0.358 nan 8.280 nan 0.000 0.482 667 P HA 0.194 nan 4.420 nan 0.000 0.282 667 P C -1.005 175.689 177.300 -1.009 0.000 1.249 667 P CA -0.321 62.268 63.100 -0.853 0.000 0.806 667 P CB 1.598 32.732 31.700 -0.943 0.000 0.984 668 H N 1.894 120.466 119.070 -0.830 0.000 2.877 668 H HA 0.376 4.931 4.556 -0.002 0.000 0.347 668 H C -0.871 174.059 175.328 -0.664 0.000 1.042 668 H CA -0.433 55.310 56.048 -0.508 0.000 1.276 668 H CB 0.610 30.254 29.762 -0.196 0.000 1.681 668 H HN 0.262 nan 8.280 nan 0.000 0.521 669 F N 1.990 121.994 119.950 0.090 0.000 2.332 669 F HA 0.282 4.808 4.527 -0.002 0.000 0.368 669 F C 0.428 176.311 175.800 0.138 0.000 1.110 669 F CA -0.821 57.230 58.000 0.084 0.000 1.087 669 F CB 1.134 40.135 39.000 0.002 0.000 1.235 669 F HN 0.126 nan 8.300 nan 0.000 0.470 670 V N 5.002 125.044 119.914 0.213 0.000 2.339 670 V HA 0.311 4.430 4.120 -0.002 0.000 0.261 670 V C 0.332 176.537 176.094 0.186 0.000 1.058 670 V CA -0.718 61.691 62.300 0.182 0.000 0.897 670 V CB 0.318 32.201 31.823 0.100 0.000 1.052 670 V HN 0.464 nan 8.190 nan 0.000 0.480 671 R N 3.206 123.829 120.500 0.205 0.000 2.608 671 R HA 0.278 4.617 4.340 -0.002 0.000 0.277 671 R C -0.160 176.174 176.300 0.055 0.000 1.341 671 R CA -0.280 55.900 56.100 0.134 0.000 1.199 671 R CB 0.101 30.464 30.300 0.105 0.000 1.156 671 R HN 0.661 nan 8.270 nan 0.000 0.558 672 C N 2.793 122.114 119.300 0.036 0.000 2.703 672 C HA 0.297 4.756 4.460 -0.002 0.000 0.411 672 C C 1.154 176.114 174.990 -0.050 0.000 1.290 672 C CA -0.122 58.887 59.018 -0.015 0.000 2.054 672 C CB -0.116 27.609 27.740 -0.026 0.000 2.732 672 C HN 0.585 nan 8.230 nan 0.000 0.650 673 I N 2.636 123.150 120.570 -0.094 0.000 2.656 673 I HA 0.381 4.550 4.170 -0.002 0.000 0.292 673 I C -0.514 175.515 176.117 -0.148 0.000 1.144 673 I CA -0.389 60.842 61.300 -0.115 0.000 1.038 673 I CB 1.575 39.494 38.000 -0.135 0.000 1.244 673 I HN 0.590 nan 8.210 nan 0.000 0.420 674 I N 8.093 128.599 120.570 -0.107 0.000 2.342 674 I HA 0.243 4.412 4.170 -0.002 0.000 0.291 674 I C -1.489 174.580 176.117 -0.079 0.000 1.010 674 I CA -1.978 59.272 61.300 -0.083 0.000 1.308 674 I CB 2.056 40.050 38.000 -0.010 0.000 1.400 674 I HN 0.375 nan 8.210 nan 0.000 0.488 675 P HA -0.034 nan 4.420 nan 0.000 0.215 675 P C -0.968 176.331 177.300 -0.002 0.000 1.157 675 P CA 1.063 64.096 63.100 -0.112 0.000 0.856 675 P CB 0.043 31.666 31.700 -0.129 0.000 0.786 676 N N -3.527 115.223 118.700 0.083 0.000 3.046 676 N HA 0.105 4.844 4.740 -0.002 0.000 0.243 676 N C 0.348 175.892 175.510 0.057 0.000 1.452 676 N CA -0.723 52.356 53.050 0.049 0.000 0.882 676 N CB 0.350 38.860 38.487 0.039 0.000 1.425 676 N HN -0.359 nan 8.380 nan 0.000 0.517 677 E N 0.556 120.764 120.200 0.012 0.000 1.997 677 E HA 0.027 4.376 4.350 -0.002 0.000 0.196 677 E C 0.181 176.750 176.600 -0.052 0.000 0.990 677 E CA 0.787 57.188 56.400 0.002 0.000 0.845 677 E CB -0.612 29.081 29.700 -0.012 0.000 0.795 677 E HN 0.543 nan 8.360 nan 0.000 0.479 678 L N 2.606 123.782 121.223 -0.080 0.000 2.848 678 L HA -0.144 4.195 4.340 -0.002 0.000 0.286 678 L C 0.459 177.159 176.870 -0.284 0.000 1.150 678 L CA 0.149 54.908 54.840 -0.135 0.000 0.958 678 L CB -0.579 41.419 42.059 -0.101 0.000 1.322 678 L HN -0.056 nan 8.230 nan 0.000 0.469 679 K N 2.219 122.380 120.400 -0.398 0.000 3.006 679 K HA -0.018 4.301 4.320 -0.002 0.000 0.243 679 K C -0.090 175.950 176.600 -0.933 0.000 0.945 679 K CA 0.351 56.079 56.287 -0.933 0.000 1.101 679 K CB -0.873 31.291 32.500 -0.560 0.000 1.096 679 K HN 0.498 nan 8.250 nan 0.000 0.281 680 T N 1.173 115.335 114.554 -0.653 0.000 2.792 680 T HA 0.307 4.656 4.350 -0.002 0.000 0.280 680 T C -2.442 172.255 174.700 -0.005 0.000 0.990 680 T CA -2.281 59.663 62.100 -0.260 0.000 0.960 680 T CB 1.634 70.427 68.868 -0.125 0.000 0.939 680 T HN -0.045 nan 8.240 nan 0.000 0.439 681 P HA 0.071 nan 4.420 nan 0.000 0.269 681 P C 0.826 178.195 177.300 0.115 0.000 1.185 681 P CA 0.627 63.808 63.100 0.135 0.000 0.769 681 P CB 0.178 31.913 31.700 0.058 0.000 0.809 682 G N 1.284 110.122 108.800 0.064 0.000 2.246 682 G HA2 -0.036 3.923 3.960 -0.002 0.000 0.227 682 G HA3 -0.036 3.923 3.960 -0.002 0.000 0.227 682 G C -0.728 174.265 174.900 0.156 0.000 0.404 682 G CA 0.147 45.238 45.100 -0.016 0.000 1.034 682 G HN 0.562 nan 8.290 nan 0.000 0.425 683 L N 4.177 125.608 121.223 0.346 0.000 2.795 683 L HA 0.453 4.792 4.340 -0.002 0.000 0.260 683 L C -1.198 175.787 176.870 0.193 0.000 0.935 683 L CA -0.946 54.017 54.840 0.203 0.000 0.985 683 L CB 1.416 43.544 42.059 0.114 0.000 1.433 683 L HN 0.266 nan 8.230 nan 0.000 0.447 684 I N 4.044 124.714 120.570 0.167 0.000 2.330 684 I HA 0.291 4.460 4.170 -0.002 0.000 0.286 684 I C 0.205 176.358 176.117 0.059 0.000 1.025 684 I CA -0.347 61.015 61.300 0.103 0.000 1.197 684 I CB 0.976 39.050 38.000 0.123 0.000 1.358 684 I HN 0.568 nan 8.210 nan 0.000 0.467 685 D N 6.183 126.591 120.400 0.015 0.000 2.455 685 D HA 0.194 4.833 4.640 -0.002 0.000 0.234 685 D C 1.273 177.560 176.300 -0.022 0.000 1.224 685 D CA 0.085 54.071 54.000 -0.023 0.000 0.999 685 D CB 1.027 41.809 40.800 -0.029 0.000 1.072 685 D HN 0.639 nan 8.370 nan 0.000 0.514 686 A N 4.218 127.029 122.820 -0.015 0.000 1.896 686 A HA -0.264 4.055 4.320 -0.002 0.000 0.220 686 A C 2.240 179.817 177.584 -0.013 0.000 1.206 686 A CA 2.320 54.362 52.037 0.008 0.000 0.647 686 A CB -0.735 18.283 19.000 0.029 0.000 0.828 686 A HN 0.621 nan 8.150 nan 0.000 0.455 687 A N -0.633 122.152 122.820 -0.057 0.000 1.869 687 A HA -0.166 4.153 4.320 -0.002 0.000 0.218 687 A C 2.211 179.786 177.584 -0.015 0.000 1.203 687 A CA 2.146 54.150 52.037 -0.055 0.000 0.638 687 A CB -0.872 18.072 19.000 -0.094 0.000 0.831 687 A HN 0.937 nan 8.150 nan 0.000 0.450 688 L N -0.378 120.833 121.223 -0.020 0.000 1.989 688 L HA -0.129 4.210 4.340 -0.002 0.000 0.211 688 L C 2.460 179.358 176.870 0.045 0.000 1.071 688 L CA 2.187 57.034 54.840 0.012 0.000 0.749 688 L CB -0.663 41.392 42.059 -0.006 0.000 0.890 688 L HN 0.169 nan 8.230 nan 0.000 0.431 689 V N -0.509 119.407 119.914 0.004 0.000 2.255 689 V HA -0.300 3.819 4.120 -0.002 0.000 0.247 689 V C 2.522 178.610 176.094 -0.010 0.000 1.051 689 V CA 1.956 64.243 62.300 -0.022 0.000 1.018 689 V CB -0.598 31.199 31.823 -0.044 0.000 0.641 689 V HN 0.488 nan 8.190 nan 0.000 0.445 690 L N -0.485 120.749 121.223 0.018 0.000 2.349 690 L HA -0.191 4.148 4.340 -0.002 0.000 0.220 690 L C 2.239 179.129 176.870 0.033 0.000 1.130 690 L CA 1.991 56.849 54.840 0.030 0.000 0.791 690 L CB -0.812 41.300 42.059 0.088 0.000 0.918 690 L HN 0.556 nan 8.230 nan 0.000 0.444 691 H N -1.022 118.017 119.070 -0.052 0.000 2.307 691 H HA -0.095 4.460 4.556 -0.001 0.000 0.303 691 H C 2.135 177.414 175.328 -0.083 0.000 1.073 691 H CA 2.016 58.023 56.048 -0.067 0.000 1.338 691 H CB 0.074 29.793 29.762 -0.071 0.000 1.389 691 H HN 0.431 nan 8.280 nan 0.000 0.503 692 Q N 0.220 119.926 119.800 -0.156 0.000 2.030 692 Q HA -0.144 4.195 4.340 -0.002 0.000 0.204 692 Q C 2.548 178.420 176.000 -0.214 0.000 0.986 692 Q CA 1.710 57.382 55.803 -0.219 0.000 0.843 692 Q CB -0.233 28.437 28.738 -0.113 0.000 0.904 692 Q HN 0.451 nan 8.270 nan 0.000 0.420 693 L N 0.456 121.587 121.223 -0.153 0.000 2.151 693 L HA -0.235 4.104 4.340 -0.002 0.000 0.215 693 L C 1.991 178.753 176.870 -0.180 0.000 1.084 693 L CA 1.357 56.102 54.840 -0.160 0.000 0.764 693 L CB -0.531 41.453 42.059 -0.125 0.000 0.891 693 L HN 0.236 nan 8.230 nan 0.000 0.435 694 R N -1.112 119.267 120.500 -0.202 0.000 2.356 694 R HA 0.107 4.446 4.340 -0.002 0.000 0.234 694 R C 0.582 176.721 176.300 -0.268 0.000 0.929 694 R CA -0.004 55.974 56.100 -0.204 0.000 1.084 694 R CB 0.068 30.276 30.300 -0.154 0.000 1.105 694 R HN 0.355 nan 8.270 nan 0.000 0.515 695 C N -0.409 118.708 119.300 -0.305 0.000 3.613 695 C HA 0.298 4.757 4.460 -0.002 0.000 0.277 695 C C 1.005 175.869 174.990 -0.211 0.000 2.235 695 C CA -0.813 58.010 59.018 -0.325 0.000 1.657 695 C CB -0.400 27.071 27.740 -0.447 0.000 3.412 695 C HN 0.415 nan 8.230 nan 0.000 0.432 696 N N 1.185 119.796 118.700 -0.148 0.000 2.508 696 N HA 0.219 4.958 4.740 -0.002 0.000 0.186 696 N C 1.722 177.212 175.510 -0.033 0.000 1.034 696 N CA 1.683 54.681 53.050 -0.088 0.000 0.885 696 N CB 0.355 38.754 38.487 -0.147 0.000 1.135 696 N HN 0.596 nan 8.380 nan 0.000 0.435 697 G N -0.263 108.497 108.800 -0.067 0.000 2.318 697 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.172 697 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.172 697 G C 0.933 175.730 174.900 -0.172 0.000 1.002 697 G CA 0.248 45.353 45.100 0.008 0.000 0.697 697 G HN 0.118 nan 8.290 nan 0.000 0.483 698 V N 1.591 121.275 119.914 -0.384 0.000 2.343 698 V HA -0.082 4.037 4.120 -0.002 0.000 0.247 698 V C 2.727 178.666 176.094 -0.259 0.000 1.051 698 V CA 2.260 64.240 62.300 -0.533 0.000 1.036 698 V CB -0.400 31.151 31.823 -0.453 0.000 0.654 698 V HN 0.472 nan 8.190 nan 0.000 0.451 699 L N -0.083 121.039 121.223 -0.168 0.000 2.552 699 L HA -0.047 4.292 4.340 -0.002 0.000 0.227 699 L C 2.352 179.188 176.870 -0.056 0.000 1.146 699 L CA 1.074 55.851 54.840 -0.105 0.000 0.858 699 L CB -0.471 41.529 42.059 -0.099 0.000 0.969 699 L HN 0.457 nan 8.230 nan 0.000 0.451 700 E N 0.971 121.153 120.200 -0.030 0.000 2.060 700 E HA -0.089 4.260 4.350 -0.002 0.000 0.189 700 E C 2.230 178.868 176.600 0.064 0.000 0.974 700 E CA 1.082 57.495 56.400 0.020 0.000 0.808 700 E CB -0.144 29.607 29.700 0.084 0.000 0.768 700 E HN 0.241 nan 8.360 nan 0.000 0.453 701 G N 1.893 110.785 108.800 0.153 0.000 2.514 701 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.217 701 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.217 701 G C 1.646 176.620 174.900 0.125 0.000 1.198 701 G CA 1.434 46.671 45.100 0.229 0.000 0.780 701 G HN 0.334 nan 8.290 nan 0.000 0.565 702 I N 0.168 120.782 120.570 0.073 0.000 2.236 702 I HA -0.249 3.920 4.170 -0.002 0.000 0.249 702 I C 2.888 179.033 176.117 0.046 0.000 1.102 702 I CA 1.449 62.778 61.300 0.049 0.000 1.365 702 I CB -0.334 37.669 38.000 0.006 0.000 1.051 702 I HN 0.143 nan 8.210 nan 0.000 0.420 703 R N 0.931 121.449 120.500 0.031 0.000 2.090 703 R HA -0.083 4.256 4.340 -0.002 0.000 0.228 703 R C 2.316 178.647 176.300 0.051 0.000 1.110 703 R CA 1.284 57.402 56.100 0.030 0.000 0.973 703 R CB -0.013 30.293 30.300 0.009 0.000 0.869 703 R HN 0.353 nan 8.270 nan 0.000 0.440 704 I N -0.604 119.990 120.570 0.041 0.000 2.277 704 I HA -0.290 3.879 4.170 -0.002 0.000 0.243 704 I C 2.533 178.732 176.117 0.137 0.000 1.094 704 I CA 0.549 61.886 61.300 0.060 0.000 1.393 704 I CB -0.284 37.694 38.000 -0.038 0.000 1.078 704 I HN 0.280 nan 8.210 nan 0.000 0.417 705 C N 1.128 120.508 119.300 0.132 0.000 2.398 705 C HA -0.204 4.255 4.460 -0.002 0.000 0.276 705 C C 2.990 178.055 174.990 0.125 0.000 1.222 705 C CA 1.141 60.250 59.018 0.152 0.000 1.746 705 C CB -1.129 26.690 27.740 0.132 0.000 2.039 705 C HN 0.381 nan 8.230 nan 0.000 0.470 706 R N 0.706 121.262 120.500 0.093 0.000 2.153 706 R HA -0.167 4.172 4.340 -0.002 0.000 0.252 706 R C 1.416 177.752 176.300 0.059 0.000 1.158 706 R CA 1.685 57.825 56.100 0.067 0.000 0.975 706 R CB -0.403 29.935 30.300 0.064 0.000 0.871 706 R HN 0.719 nan 8.270 nan 0.000 0.450 707 K N 0.006 120.475 120.400 0.114 0.000 3.041 707 K HA 0.242 4.561 4.320 -0.002 0.000 0.243 707 K C 0.397 177.137 176.600 0.235 0.000 1.167 707 K CA 0.005 56.381 56.287 0.148 0.000 1.235 707 K CB 0.839 33.446 32.500 0.178 0.000 1.205 707 K HN 0.084 nan 8.250 nan 0.000 0.448 708 G N 0.468 109.310 108.800 0.069 0.000 3.003 708 G HA2 0.485 4.444 3.960 -0.002 0.000 0.243 708 G HA3 0.485 4.444 3.960 -0.002 0.000 0.243 708 G C -1.556 173.074 174.900 -0.449 0.000 1.176 708 G CA -0.859 44.231 45.100 -0.017 0.000 0.812 708 G HN 0.164 nan 8.290 nan 0.000 0.584 709 F N 1.755 121.720 119.950 0.024 0.000 2.451 709 F HA 0.383 4.909 4.527 -0.001 0.000 0.367 709 F C -1.486 174.283 175.800 -0.052 0.000 1.100 709 F CA -1.903 56.090 58.000 -0.011 0.000 1.171 709 F CB 2.437 41.425 39.000 -0.021 0.000 1.405 709 F HN 0.164 nan 8.300 nan 0.000 0.482 710 P HA -0.099 nan 4.420 nan 0.000 0.223 710 P C -0.147 177.154 177.300 0.001 0.000 1.151 710 P CA 0.904 64.034 63.100 0.050 0.000 0.787 710 P CB 0.373 32.113 31.700 0.066 0.000 0.788 711 N N 1.488 120.212 118.700 0.039 0.000 2.437 711 N HA 0.175 4.915 4.740 -0.002 0.000 0.243 711 N C -0.287 175.198 175.510 -0.043 0.000 1.041 711 N CA -0.076 53.004 53.050 0.050 0.000 0.940 711 N CB 0.480 39.056 38.487 0.149 0.000 1.133 711 N HN 0.081 nan 8.380 nan 0.000 0.506 712 R N 2.397 122.782 120.500 -0.192 0.000 2.310 712 R HA 0.444 4.783 4.340 -0.002 0.000 0.316 712 R C -0.315 175.899 176.300 -0.145 0.000 1.004 712 R CA -0.510 55.352 56.100 -0.396 0.000 0.900 712 R CB 1.294 31.129 30.300 -0.775 0.000 1.152 712 R HN 0.364 nan 8.270 nan 0.000 0.513 713 I N 4.352 124.906 120.570 -0.026 0.000 2.331 713 I HA 0.248 4.417 4.170 -0.002 0.000 0.292 713 I C 0.670 176.738 176.117 -0.083 0.000 0.998 713 I CA -0.806 60.519 61.300 0.040 0.000 1.267 713 I CB 1.232 39.396 38.000 0.274 0.000 1.386 713 I HN 0.582 nan 8.210 nan 0.000 0.476 714 I N 6.958 127.513 120.570 -0.024 0.000 2.505 714 I HA -0.063 4.106 4.170 -0.002 0.000 0.287 714 I C 1.118 177.259 176.117 0.040 0.000 1.104 714 I CA 0.103 61.388 61.300 -0.025 0.000 1.387 714 I CB 0.248 38.270 38.000 0.037 0.000 1.404 714 I HN 0.548 nan 8.210 nan 0.000 0.528 715 Y N 4.015 124.374 120.300 0.098 0.000 2.100 715 Y HA -0.439 4.110 4.550 -0.002 0.000 0.267 715 Y C 2.603 178.601 175.900 0.162 0.000 1.250 715 Y CA 2.120 60.283 58.100 0.105 0.000 1.105 715 Y CB -0.426 38.055 38.460 0.036 0.000 0.924 715 Y HN 0.665 nan 8.280 nan 0.000 0.508 716 S N -0.249 115.608 115.700 0.261 0.000 2.378 716 S HA -0.297 4.172 4.470 -0.002 0.000 0.221 716 S C 1.740 176.446 174.600 0.177 0.000 1.037 716 S CA 1.550 59.859 58.200 0.181 0.000 1.069 716 S CB -0.730 62.539 63.200 0.115 0.000 1.006 716 S HN 0.465 nan 8.310 nan 0.000 0.423 717 E N 0.356 120.642 120.200 0.142 0.000 2.095 717 E HA -0.246 4.103 4.350 -0.002 0.000 0.212 717 E C 1.782 178.481 176.600 0.165 0.000 1.044 717 E CA 1.726 58.192 56.400 0.109 0.000 0.857 717 E CB -0.338 29.417 29.700 0.092 0.000 0.764 717 E HN 0.498 nan 8.360 nan 0.000 0.462 718 F N 1.068 121.091 119.950 0.122 0.000 2.202 718 F HA -0.234 4.293 4.527 -0.001 0.000 0.301 718 F C 2.216 178.152 175.800 0.227 0.000 1.082 718 F CA 1.554 59.678 58.000 0.206 0.000 1.313 718 F CB 0.102 39.198 39.000 0.160 0.000 1.024 718 F HN -0.125 nan 8.300 nan 0.000 0.495 719 K N 0.063 120.690 120.400 0.378 0.000 2.007 719 K HA -0.228 4.091 4.320 -0.002 0.000 0.206 719 K C 2.110 178.755 176.600 0.075 0.000 1.047 719 K CA 1.334 57.776 56.287 0.259 0.000 0.937 719 K CB -0.422 32.200 32.500 0.203 0.000 0.718 719 K HN 0.280 nan 8.250 nan 0.000 0.438 720 Q N 0.387 120.208 119.800 0.036 0.000 2.576 720 Q HA -0.198 4.141 4.340 -0.002 0.000 0.218 720 Q C 1.410 177.321 176.000 -0.149 0.000 0.983 720 Q CA 1.191 56.967 55.803 -0.046 0.000 0.920 720 Q CB 0.156 28.870 28.738 -0.039 0.000 0.973 720 Q HN 0.189 nan 8.270 nan 0.000 0.528 721 R N -1.793 118.568 120.500 -0.232 0.000 2.561 721 R HA 0.054 4.393 4.340 -0.002 0.000 0.213 721 R C 0.298 176.139 176.300 -0.764 0.000 0.885 721 R CA 0.161 55.946 56.100 -0.525 0.000 1.002 721 R CB 0.536 30.421 30.300 -0.692 0.000 1.432 721 R HN 0.178 nan 8.270 nan 0.000 0.651 722 Y N 0.569 120.642 120.300 -0.378 0.000 2.584 722 Y HA 0.397 4.946 4.550 -0.002 0.000 0.254 722 Y C 1.528 177.355 175.900 -0.122 0.000 1.177 722 Y CA -0.217 57.700 58.100 -0.304 0.000 1.216 722 Y CB 0.949 39.112 38.460 -0.495 0.000 1.172 722 Y HN -0.001 nan 8.280 nan 0.000 0.529 723 S N 0.645 116.350 115.700 0.008 0.000 2.368 723 S HA -0.235 4.234 4.470 -0.002 0.000 0.225 723 S C 2.043 176.658 174.600 0.025 0.000 1.030 723 S CA 1.369 59.603 58.200 0.057 0.000 0.999 723 S CB -0.460 62.761 63.200 0.035 0.000 0.844 723 S HN 0.594 nan 8.310 nan 0.000 0.459 724 I N 1.835 122.387 120.570 -0.029 0.000 2.290 724 I HA -0.278 3.891 4.170 -0.002 0.000 0.253 724 I C 1.833 177.949 176.117 -0.002 0.000 1.112 724 I CA 1.251 62.530 61.300 -0.034 0.000 1.377 724 I CB -0.143 37.808 38.000 -0.081 0.000 1.060 724 I HN 0.271 nan 8.210 nan 0.000 0.428 725 L N 0.533 121.769 121.223 0.022 0.000 2.042 725 L HA -0.100 4.239 4.340 -0.002 0.000 0.210 725 L C 1.126 178.028 176.870 0.053 0.000 1.076 725 L CA 1.075 55.944 54.840 0.048 0.000 0.749 725 L CB -0.600 41.514 42.059 0.092 0.000 0.893 725 L HN 0.363 nan 8.230 nan 0.000 0.432 726 A N -0.186 122.671 122.820 0.063 0.000 2.605 726 A HA 0.657 4.976 4.320 -0.002 0.000 0.293 726 A C -2.510 175.106 177.584 0.053 0.000 1.216 726 A CA -0.805 51.268 52.037 0.060 0.000 0.742 726 A CB 0.581 19.626 19.000 0.075 0.000 1.170 726 A HN -0.036 nan 8.150 nan 0.000 0.443 727 P HA 0.776 nan 4.420 nan 0.000 0.331 727 P C -1.163 176.154 177.300 0.030 0.000 1.205 727 P CA -0.637 62.483 63.100 0.033 0.000 0.856 727 P CB 1.470 33.179 31.700 0.016 0.000 1.360 728 N N -3.336 115.378 118.700 0.023 0.000 3.277 728 N HA 0.489 5.228 4.740 -0.002 0.000 0.278 728 N C 0.153 175.671 175.510 0.013 0.000 1.544 728 N CA -0.573 52.490 53.050 0.022 0.000 0.869 728 N CB -0.499 38.006 38.487 0.030 0.000 1.584 728 N HN 0.224 nan 8.380 nan 0.000 0.564 729 A N -0.613 122.217 122.820 0.018 0.000 2.067 729 A HA 0.167 4.486 4.320 -0.002 0.000 0.219 729 A C 0.256 177.854 177.584 0.022 0.000 1.158 729 A CA 0.644 52.691 52.037 0.017 0.000 0.661 729 A CB -0.666 18.348 19.000 0.023 0.000 0.801 729 A HN 0.432 nan 8.150 nan 0.000 0.452 730 V N 2.824 122.758 119.914 0.034 0.000 2.390 730 V HA 0.130 4.249 4.120 -0.002 0.000 0.260 730 V C -2.028 174.068 176.094 0.003 0.000 1.043 730 V CA -1.493 60.840 62.300 0.056 0.000 1.047 730 V CB -0.519 31.352 31.823 0.079 0.000 1.066 730 V HN 0.299 nan 8.190 nan 0.000 0.481 731 P HA -0.138 nan 4.420 nan 0.000 0.271 731 P C 1.159 178.309 177.300 -0.249 0.000 1.179 731 P CA 0.770 63.725 63.100 -0.242 0.000 0.766 731 P CB 0.471 31.840 31.700 -0.551 0.000 0.789 732 S N 1.721 117.283 115.700 -0.230 0.000 2.357 732 S HA -0.083 4.386 4.470 -0.002 0.000 0.221 732 S C 2.128 176.638 174.600 -0.150 0.000 1.031 732 S CA 1.409 59.524 58.200 -0.143 0.000 0.982 732 S CB -1.368 61.772 63.200 -0.100 0.000 0.853 732 S HN 0.594 nan 8.310 nan 0.000 0.458 733 G N -0.116 108.521 108.800 -0.271 0.000 2.501 733 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.220 733 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.220 733 G C 1.015 175.957 174.900 0.070 0.000 1.114 733 G CA 0.631 45.639 45.100 -0.154 0.000 0.757 733 G HN 0.668 nan 8.290 nan 0.000 0.559 734 F N 0.501 120.452 119.950 0.002 0.000 2.721 734 F HA 0.491 5.017 4.527 -0.001 0.000 0.301 734 F C 1.675 177.475 175.800 0.000 0.000 1.096 734 F CA -0.559 57.441 58.000 -0.001 0.000 1.308 734 F CB 0.473 39.472 39.000 -0.001 0.000 1.086 734 F HN 0.131 nan 8.300 nan 0.000 0.587 735 A N 0.795 123.701 122.820 0.143 0.000 2.302 735 A HA 0.284 4.603 4.320 -0.002 0.000 0.285 735 A C -0.991 176.632 177.584 0.066 0.000 1.105 735 A CA -0.294 51.798 52.037 0.091 0.000 0.816 735 A CB 0.384 19.419 19.000 0.059 0.000 1.067 735 A HN 0.180 nan 8.150 nan 0.000 0.489 736 D N 1.089 121.512 120.400 0.038 0.000 2.280 736 D HA 0.471 5.110 4.640 -0.002 0.000 0.236 736 D C 1.380 177.673 176.300 -0.013 0.000 1.082 736 D CA 0.474 54.476 54.000 0.003 0.000 0.834 736 D CB 1.254 42.036 40.800 -0.030 0.000 1.100 736 D HN 0.473 nan 8.370 nan 0.000 0.486 737 G N 4.239 113.041 108.800 0.004 0.000 2.764 737 G HA2 -0.424 3.535 3.960 -0.002 0.000 0.219 737 G HA3 -0.424 3.535 3.960 -0.002 0.000 0.219 737 G C 1.339 176.198 174.900 -0.068 0.000 1.259 737 G CA 1.289 46.420 45.100 0.051 0.000 0.793 737 G HN 0.633 nan 8.290 nan 0.000 0.633 738 K N -0.057 120.049 120.400 -0.491 0.000 2.228 738 K HA -0.124 4.195 4.320 -0.002 0.000 0.205 738 K C 2.501 178.930 176.600 -0.285 0.000 1.045 738 K CA 1.634 57.404 56.287 -0.861 0.000 0.931 738 K CB -0.180 31.655 32.500 -1.109 0.000 0.727 738 K HN 0.297 nan 8.250 nan 0.000 0.458 739 V N 0.004 119.826 119.914 -0.152 0.000 2.379 739 V HA -0.187 3.932 4.120 -0.002 0.000 0.245 739 V C 2.287 178.389 176.094 0.013 0.000 1.044 739 V CA 1.378 63.643 62.300 -0.057 0.000 1.036 739 V CB -0.358 31.448 31.823 -0.029 0.000 0.664 739 V HN 0.115 nan 8.190 nan 0.000 0.453 740 V N 0.481 120.427 119.914 0.053 0.000 2.216 740 V HA -0.297 3.822 4.120 -0.002 0.000 0.243 740 V C 2.609 178.803 176.094 0.166 0.000 1.044 740 V CA 2.773 65.147 62.300 0.124 0.000 0.995 740 V CB -1.612 30.314 31.823 0.171 0.000 0.633 740 V HN 0.563 nan 8.190 nan 0.000 0.446 741 T N -0.010 114.662 114.554 0.196 0.000 2.602 741 T HA -0.368 3.981 4.350 -0.002 0.000 0.264 741 T C 1.797 176.514 174.700 0.029 0.000 1.085 741 T CA 2.289 64.414 62.100 0.041 0.000 1.164 741 T CB -0.643 68.093 68.868 -0.219 0.000 0.860 741 T HN 0.583 nan 8.240 nan 0.000 0.442 742 D N 0.588 121.010 120.400 0.038 0.000 2.149 742 D HA -0.108 4.531 4.640 -0.002 0.000 0.198 742 D C 2.187 178.537 176.300 0.084 0.000 0.990 742 D CA 1.069 55.109 54.000 0.067 0.000 0.839 742 D CB -0.077 40.746 40.800 0.038 0.000 0.948 742 D HN 0.166 nan 8.370 nan 0.000 0.460 743 K N 0.424 120.873 120.400 0.082 0.000 2.025 743 K HA 0.028 4.347 4.320 -0.002 0.000 0.207 743 K C 2.128 178.790 176.600 0.103 0.000 1.049 743 K CA 1.000 57.337 56.287 0.083 0.000 0.933 743 K CB -0.824 31.722 32.500 0.078 0.000 0.714 743 K HN 0.140 nan 8.250 nan 0.000 0.438 744 A N 1.199 124.105 122.820 0.142 0.000 1.978 744 A HA -0.141 4.178 4.320 -0.002 0.000 0.220 744 A C 2.294 179.965 177.584 0.144 0.000 1.170 744 A CA 1.383 53.527 52.037 0.178 0.000 0.636 744 A CB -0.505 18.681 19.000 0.311 0.000 0.810 744 A HN 0.183 nan 8.150 nan 0.000 0.448 745 L N -1.376 119.908 121.223 0.101 0.000 2.121 745 L HA -0.054 4.285 4.340 -0.002 0.000 0.200 745 L C 2.837 179.743 176.870 0.060 0.000 1.077 745 L CA 1.056 55.907 54.840 0.018 0.000 0.766 745 L CB -0.648 41.300 42.059 -0.186 0.000 0.931 745 L HN 0.275 nan 8.230 nan 0.000 0.452 746 S N 0.626 116.388 115.700 0.103 0.000 2.381 746 S HA -0.340 4.129 4.470 -0.002 0.000 0.230 746 S C 2.166 176.818 174.600 0.086 0.000 1.052 746 S CA 1.668 59.935 58.200 0.112 0.000 1.068 746 S CB -0.626 62.634 63.200 0.100 0.000 0.918 746 S HN 0.508 nan 8.310 nan 0.000 0.448 747 A N 1.515 124.381 122.820 0.077 0.000 1.865 747 A HA -0.066 4.253 4.320 -0.002 0.000 0.217 747 A C 2.098 179.721 177.584 0.064 0.000 1.191 747 A CA 1.505 53.583 52.037 0.067 0.000 0.623 747 A CB -0.903 18.138 19.000 0.068 0.000 0.826 747 A HN 0.480 nan 8.150 nan 0.000 0.444 748 L N -1.526 119.737 121.223 0.066 0.000 2.447 748 L HA -0.212 4.127 4.340 -0.002 0.000 0.225 748 L C 1.029 177.935 176.870 0.060 0.000 1.148 748 L CA 1.188 56.063 54.840 0.059 0.000 0.808 748 L CB -0.368 41.723 42.059 0.054 0.000 0.928 748 L HN 0.552 nan 8.230 nan 0.000 0.448 749 Q N -2.313 117.529 119.800 0.070 0.000 2.340 749 Q HA -0.221 4.118 4.340 -0.002 0.000 0.174 749 Q C 0.397 176.457 176.000 0.101 0.000 0.585 749 Q CA 0.569 56.420 55.803 0.080 0.000 1.358 749 Q CB -1.811 26.968 28.738 0.068 0.000 1.286 749 Q HN 0.354 nan 8.270 nan 0.000 0.940 750 L N 3.578 124.857 121.223 0.093 0.000 2.667 750 L HA -0.046 4.294 4.340 -0.002 0.000 0.296 750 L C 0.502 177.513 176.870 0.236 0.000 1.252 750 L CA 1.271 56.183 54.840 0.121 0.000 0.891 750 L CB 0.329 42.392 42.059 0.007 0.000 1.141 750 L HN 0.056 nan 8.230 nan 0.000 0.501 751 D N 7.095 127.636 120.400 0.236 0.000 2.425 751 D HA 0.063 4.702 4.640 -0.002 0.000 0.247 751 D C -1.659 174.867 176.300 0.378 0.000 1.147 751 D CA -1.343 52.803 54.000 0.244 0.000 0.879 751 D CB 1.409 42.322 40.800 0.188 0.000 1.179 751 D HN 0.434 nan 8.370 nan 0.000 0.456 752 P HA -0.117 nan 4.420 nan 0.000 0.225 752 P C 0.806 178.105 177.300 -0.001 0.000 1.148 752 P CA 0.529 63.602 63.100 -0.044 0.000 0.779 752 P CB 0.514 32.159 31.700 -0.092 0.000 0.780 753 N N 0.648 119.439 118.700 0.152 0.000 2.104 753 N HA -0.134 4.605 4.740 -0.002 0.000 0.190 753 N C 1.591 177.295 175.510 0.323 0.000 1.024 753 N CA 1.163 54.337 53.050 0.208 0.000 0.853 753 N CB -0.513 38.084 38.487 0.183 0.000 1.008 753 N HN 0.263 nan 8.380 nan 0.000 0.424 754 E N -0.084 120.339 120.200 0.373 0.000 2.338 754 E HA -0.099 4.250 4.350 -0.002 0.000 0.197 754 E C 0.352 177.330 176.600 0.631 0.000 1.007 754 E CA 0.560 57.231 56.400 0.452 0.000 0.849 754 E CB -0.074 29.862 29.700 0.393 0.000 0.774 754 E HN 0.633 nan 8.360 nan 0.000 0.506 755 Y N -2.091 118.333 120.300 0.206 0.000 2.638 755 Y HA 0.784 5.334 4.550 -0.001 0.000 0.339 755 Y C -0.251 175.511 175.900 -0.230 0.000 1.084 755 Y CA -1.742 56.326 58.100 -0.053 0.000 1.068 755 Y CB 1.303 39.532 38.460 -0.386 0.000 1.294 755 Y HN -0.408 nan 8.280 nan 0.000 0.480 756 R N 2.107 122.354 120.500 -0.422 0.000 2.502 756 R HA 0.432 4.771 4.340 -0.002 0.000 0.298 756 R C -1.909 174.107 176.300 -0.474 0.000 1.018 756 R CA -1.057 54.672 56.100 -0.618 0.000 0.899 756 R CB 1.739 31.430 30.300 -1.016 0.000 1.181 756 R HN 0.842 nan 8.270 nan 0.000 0.444 757 L N 2.525 123.543 121.223 -0.341 0.000 2.260 757 L HA 0.511 4.850 4.340 -0.002 0.000 0.289 757 L C 1.348 178.110 176.870 -0.179 0.000 1.057 757 L CA -0.215 54.527 54.840 -0.164 0.000 0.811 757 L CB 1.514 43.563 42.059 -0.016 0.000 1.184 757 L HN 0.654 nan 8.230 nan 0.000 0.429 758 G N 1.598 110.288 108.800 -0.184 0.000 2.574 758 G HA2 0.123 4.083 3.960 -0.002 0.000 0.248 758 G HA3 0.123 4.083 3.960 -0.002 0.000 0.248 758 G C 0.595 175.522 174.900 0.045 0.000 1.422 758 G CA -0.420 44.562 45.100 -0.198 0.000 1.051 758 G HN 0.598 nan 8.290 nan 0.000 0.560 759 N N -1.046 117.660 118.700 0.011 0.000 2.424 759 N HA 0.029 4.768 4.740 -0.002 0.000 0.178 759 N C 1.283 176.893 175.510 0.167 0.000 1.060 759 N CA 0.876 53.957 53.050 0.052 0.000 0.901 759 N CB 0.808 39.295 38.487 -0.000 0.000 0.979 759 N HN 0.356 nan 8.380 nan 0.000 0.451 760 T N -0.476 114.195 114.554 0.194 0.000 2.992 760 T HA 0.229 4.578 4.350 -0.002 0.000 0.255 760 T C 0.229 174.982 174.700 0.089 0.000 0.938 760 T CA 0.163 62.400 62.100 0.229 0.000 0.895 760 T CB 1.375 70.313 68.868 0.118 0.000 1.221 760 T HN 0.007 nan 8.240 nan 0.000 0.512 761 K N 0.662 121.015 120.400 -0.078 0.000 2.433 761 K HA 0.751 5.070 4.320 -0.002 0.000 0.252 761 K C -1.574 174.752 176.600 -0.457 0.000 1.015 761 K CA -0.850 55.264 56.287 -0.287 0.000 0.860 761 K CB 3.043 35.591 32.500 0.079 0.000 1.359 761 K HN -0.036 nan 8.250 nan 0.000 0.452 762 V N 1.876 121.491 119.914 -0.498 0.000 2.495 762 V HA 0.545 4.664 4.120 -0.002 0.000 0.298 762 V C -1.614 174.358 176.094 -0.202 0.000 1.031 762 V CA -0.555 61.470 62.300 -0.458 0.000 0.871 762 V CB 0.647 32.026 31.823 -0.741 0.000 0.988 762 V HN 0.507 nan 8.190 nan 0.000 0.432 763 F N 7.060 126.665 119.950 -0.574 0.000 2.405 763 F HA 0.633 5.159 4.527 -0.001 0.000 0.355 763 F C -0.064 175.572 175.800 -0.273 0.000 1.121 763 F CA -1.052 56.706 58.000 -0.404 0.000 1.112 763 F CB 1.027 39.651 39.000 -0.626 0.000 1.126 763 F HN 0.396 nan 8.300 nan 0.000 0.481 764 F N 3.219 123.310 119.950 0.235 0.000 2.508 764 F HA 0.421 4.947 4.527 -0.001 0.000 0.325 764 F C 0.819 176.765 175.800 0.242 0.000 1.090 764 F CA -1.052 57.102 58.000 0.258 0.000 0.945 764 F CB 1.386 40.441 39.000 0.092 0.000 1.156 764 F HN 0.270 nan 8.300 nan 0.000 0.463 765 K N 1.003 121.663 120.400 0.432 0.000 2.706 765 K HA 0.308 4.628 4.320 -0.002 0.000 0.290 765 K C 1.064 177.744 176.600 0.133 0.000 1.063 765 K CA 0.514 56.885 56.287 0.140 0.000 0.967 765 K CB -0.081 32.480 32.500 0.103 0.000 1.157 765 K HN 0.722 nan 8.250 nan 0.000 0.476 766 A N 0.209 123.084 122.820 0.092 0.000 1.823 766 A HA -0.007 4.312 4.320 -0.002 0.000 0.214 766 A C 2.108 179.727 177.584 0.060 0.000 1.225 766 A CA 1.925 54.017 52.037 0.092 0.000 0.604 766 A CB -1.455 17.623 19.000 0.129 0.000 0.878 766 A HN 0.684 nan 8.150 nan 0.000 0.450 767 G N -0.119 108.759 108.800 0.130 0.000 2.537 767 G HA2 -0.086 3.873 3.960 -0.002 0.000 0.220 767 G HA3 -0.086 3.873 3.960 -0.002 0.000 0.220 767 G C 1.431 176.298 174.900 -0.055 0.000 1.111 767 G CA 1.813 46.985 45.100 0.119 0.000 0.748 767 G HN 0.943 nan 8.290 nan 0.000 0.564 768 V N -0.081 119.781 119.914 -0.086 0.000 2.215 768 V HA -0.225 3.894 4.120 -0.002 0.000 0.246 768 V C 2.633 178.474 176.094 -0.421 0.000 1.047 768 V CA 1.855 63.998 62.300 -0.263 0.000 0.999 768 V CB -1.048 30.574 31.823 -0.335 0.000 0.635 768 V HN 0.274 nan 8.190 nan 0.000 0.450 769 L N 1.228 122.161 121.223 -0.484 0.000 2.351 769 L HA -0.084 4.256 4.340 -0.002 0.000 0.220 769 L C 2.709 179.467 176.870 -0.187 0.000 1.127 769 L CA 1.425 56.059 54.840 -0.343 0.000 0.786 769 L CB -1.367 40.610 42.059 -0.136 0.000 0.914 769 L HN 0.637 nan 8.230 nan 0.000 0.443 770 G N -0.103 108.505 108.800 -0.321 0.000 2.454 770 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.214 770 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.214 770 G C 1.582 176.406 174.900 -0.127 0.000 1.217 770 G CA 0.705 45.561 45.100 -0.408 0.000 0.799 770 G HN 0.253 nan 8.290 nan 0.000 0.538 771 M N 0.160 119.716 119.600 -0.073 0.000 2.080 771 M HA -0.021 4.458 4.480 -0.002 0.000 0.260 771 M C 2.545 178.837 176.300 -0.012 0.000 1.068 771 M CA 1.382 56.679 55.300 -0.004 0.000 1.109 771 M CB -0.315 32.286 32.600 0.002 0.000 1.342 771 M HN 0.199 nan 8.290 nan 0.000 0.405 772 L N 0.121 121.299 121.223 -0.076 0.000 1.990 772 L HA -0.266 4.073 4.340 -0.002 0.000 0.213 772 L C 2.625 179.591 176.870 0.161 0.000 1.072 772 L CA 1.549 56.389 54.840 0.001 0.000 0.755 772 L CB -1.289 40.573 42.059 -0.329 0.000 0.889 772 L HN 0.359 nan 8.230 nan 0.000 0.432 773 E N 0.065 120.349 120.200 0.141 0.000 2.070 773 E HA -0.271 4.078 4.350 -0.002 0.000 0.197 773 E C 1.712 178.324 176.600 0.019 0.000 1.004 773 E CA 1.509 57.944 56.400 0.057 0.000 0.805 773 E CB -0.483 29.233 29.700 0.026 0.000 0.744 773 E HN 0.488 nan 8.360 nan 0.000 0.451 774 D N 0.617 121.037 120.400 0.032 0.000 2.106 774 D HA -0.157 4.483 4.640 -0.002 0.000 0.194 774 D C 2.055 178.377 176.300 0.036 0.000 0.988 774 D CA 1.232 55.258 54.000 0.045 0.000 0.845 774 D CB -0.291 40.550 40.800 0.069 0.000 0.990 774 D HN 0.091 nan 8.370 nan 0.000 0.448 775 M N 0.178 119.803 119.600 0.042 0.000 2.252 775 M HA -0.237 4.242 4.480 -0.002 0.000 0.257 775 M C 2.380 178.696 176.300 0.027 0.000 1.077 775 M CA 1.341 56.664 55.300 0.039 0.000 1.066 775 M CB -0.235 32.392 32.600 0.046 0.000 1.380 775 M HN 0.139 nan 8.290 nan 0.000 0.412 776 R N 0.783 121.293 120.500 0.017 0.000 2.052 776 R HA -0.129 4.210 4.340 -0.002 0.000 0.224 776 R C 1.501 177.776 176.300 -0.041 0.000 1.165 776 R CA 1.868 57.950 56.100 -0.030 0.000 0.939 776 R CB -0.365 29.872 30.300 -0.105 0.000 0.834 776 R HN 0.312 nan 8.270 nan 0.000 0.435 777 D N 0.730 121.105 120.400 -0.042 0.000 2.190 777 D HA -0.218 4.421 4.640 -0.002 0.000 0.200 777 D C 1.454 177.748 176.300 -0.010 0.000 0.992 777 D CA 1.216 55.196 54.000 -0.033 0.000 0.854 777 D CB -0.224 40.563 40.800 -0.021 0.000 0.936 777 D HN 0.529 nan 8.370 nan 0.000 0.462 778 E N 0.129 120.331 120.200 0.004 0.000 2.516 778 E HA -0.125 4.224 4.350 -0.002 0.000 0.199 778 E C 1.756 178.361 176.600 0.009 0.000 1.069 778 E CA 0.179 56.586 56.400 0.013 0.000 0.876 778 E CB 0.310 30.024 29.700 0.023 0.000 0.843 778 E HN -0.050 nan 8.360 nan 0.000 0.530 779 R N -0.126 120.373 120.500 -0.001 0.000 2.040 779 R HA 0.060 4.399 4.340 -0.002 0.000 0.209 779 R C 2.026 178.322 176.300 -0.007 0.000 1.281 779 R CA 0.373 56.473 56.100 -0.000 0.000 1.064 779 R CB -1.085 29.213 30.300 -0.005 0.000 0.950 779 R HN 0.190 nan 8.270 nan 0.000 0.462 780 L N 1.065 122.272 121.223 -0.026 0.000 2.123 780 L HA -0.219 4.120 4.340 -0.002 0.000 0.217 780 L C 2.008 178.869 176.870 -0.015 0.000 1.081 780 L CA 2.228 57.048 54.840 -0.033 0.000 0.772 780 L CB -1.262 40.764 42.059 -0.055 0.000 0.890 780 L HN 0.346 nan 8.230 nan 0.000 0.437 781 S N -0.732 114.964 115.700 -0.008 0.000 2.349 781 S HA -0.287 4.182 4.470 -0.002 0.000 0.216 781 S C 2.110 176.718 174.600 0.012 0.000 1.033 781 S CA 1.766 59.968 58.200 0.003 0.000 1.021 781 S CB -0.352 62.851 63.200 0.005 0.000 0.968 781 S HN 0.565 nan 8.310 nan 0.000 0.426 782 K N 0.213 120.621 120.400 0.014 0.000 2.160 782 K HA -0.116 4.203 4.320 -0.002 0.000 0.206 782 K C 1.996 178.616 176.600 0.032 0.000 1.047 782 K CA 1.547 57.846 56.287 0.020 0.000 0.930 782 K CB -0.320 32.191 32.500 0.019 0.000 0.720 782 K HN 0.433 nan 8.250 nan 0.000 0.450 783 I N 0.885 121.473 120.570 0.029 0.000 2.113 783 I HA -0.292 3.877 4.170 -0.002 0.000 0.238 783 I C 2.057 178.219 176.117 0.076 0.000 1.070 783 I CA 1.321 62.649 61.300 0.046 0.000 1.332 783 I CB -0.125 37.886 38.000 0.018 0.000 1.044 783 I HN 0.177 nan 8.210 nan 0.000 0.402 784 I N -0.099 120.503 120.570 0.053 0.000 2.335 784 I HA -0.301 3.868 4.170 -0.002 0.000 0.251 784 I C 2.455 178.639 176.117 0.112 0.000 1.129 784 I CA 1.111 62.464 61.300 0.088 0.000 1.402 784 I CB -0.556 37.470 38.000 0.044 0.000 1.069 784 I HN 0.200 nan 8.210 nan 0.000 0.424 785 S N 0.858 116.596 115.700 0.063 0.000 2.368 785 S HA -0.141 4.328 4.470 -0.002 0.000 0.225 785 S C 2.032 176.651 174.600 0.032 0.000 1.030 785 S CA 1.400 59.622 58.200 0.037 0.000 0.999 785 S CB -0.245 62.963 63.200 0.014 0.000 0.844 785 S HN 0.385 nan 8.310 nan 0.000 0.459 786 M N -0.014 119.618 119.600 0.053 0.000 2.117 786 M HA -0.096 4.383 4.480 -0.002 0.000 0.262 786 M C 1.999 178.358 176.300 0.099 0.000 1.065 786 M CA 1.478 56.794 55.300 0.026 0.000 1.114 786 M CB -0.489 32.172 32.600 0.101 0.000 1.361 786 M HN 0.272 nan 8.290 nan 0.000 0.408 787 F N 1.647 121.639 119.950 0.069 0.000 2.046 787 F HA -0.246 4.280 4.527 -0.001 0.000 0.297 787 F C 2.349 178.179 175.800 0.049 0.000 1.123 787 F CA 1.856 59.929 58.000 0.121 0.000 1.199 787 F CB -0.632 38.407 39.000 0.066 0.000 0.972 787 F HN 0.126 nan 8.300 nan 0.000 0.474 788 Q N -0.447 119.393 119.800 0.066 0.000 2.515 788 Q HA -0.141 4.198 4.340 -0.002 0.000 0.215 788 Q C 1.955 177.887 176.000 -0.113 0.000 0.983 788 Q CA 0.918 56.691 55.803 -0.050 0.000 0.905 788 Q CB -0.352 28.398 28.738 0.020 0.000 0.961 788 Q HN 0.528 nan 8.270 nan 0.000 0.503 789 A N -0.611 122.114 122.820 -0.158 0.000 2.115 789 A HA -0.037 4.282 4.320 -0.002 0.000 0.211 789 A C 1.348 178.738 177.584 -0.325 0.000 1.169 789 A CA 0.256 52.157 52.037 -0.227 0.000 0.787 789 A CB -0.010 18.838 19.000 -0.253 0.000 0.858 789 A HN 0.305 nan 8.150 nan 0.000 0.474 790 H N -0.295 118.695 119.070 -0.133 0.000 2.535 790 H HA 0.171 4.726 4.556 -0.002 0.000 0.273 790 H C 1.742 176.954 175.328 -0.193 0.000 0.983 790 H CA 0.892 56.853 56.048 -0.145 0.000 1.238 790 H CB 0.164 29.832 29.762 -0.157 0.000 1.412 790 H HN 0.453 nan 8.280 nan 0.000 0.562 791 I N 0.195 120.633 120.570 -0.221 0.000 2.480 791 I HA -0.104 4.065 4.170 -0.002 0.000 0.251 791 I C 1.915 177.996 176.117 -0.060 0.000 1.124 791 I CA 0.546 61.726 61.300 -0.200 0.000 1.444 791 I CB -0.126 37.708 38.000 -0.278 0.000 1.098 791 I HN 0.014 nan 8.210 nan 0.000 0.428 792 R N 0.914 121.370 120.500 -0.072 0.000 2.346 792 R HA 0.010 4.349 4.340 -0.002 0.000 0.199 792 R C 1.787 178.076 176.300 -0.019 0.000 1.015 792 R CA 0.638 56.716 56.100 -0.037 0.000 1.058 792 R CB -0.061 30.207 30.300 -0.053 0.000 0.921 792 R HN 0.393 nan 8.270 nan 0.000 0.475 793 G N -1.015 107.785 108.800 0.000 0.000 2.748 793 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.204 793 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.204 793 G C 0.887 175.821 174.900 0.056 0.000 1.095 793 G CA -0.258 44.849 45.100 0.011 0.000 0.775 793 G HN 0.232 nan 8.290 nan 0.000 0.531 794 Y N 1.604 121.879 120.300 -0.041 0.000 2.084 794 Y HA -0.034 4.516 4.550 -0.002 0.000 0.279 794 Y C 2.622 178.511 175.900 -0.018 0.000 1.119 794 Y CA 1.589 59.672 58.100 -0.029 0.000 1.101 794 Y CB -0.342 38.090 38.460 -0.048 0.000 0.989 794 Y HN 0.044 nan 8.280 nan 0.000 0.484 795 L N -0.379 121.038 121.223 0.323 0.000 1.997 795 L HA -0.321 4.018 4.340 -0.002 0.000 0.216 795 L C 2.584 179.494 176.870 0.066 0.000 1.074 795 L CA 2.037 56.995 54.840 0.196 0.000 0.763 795 L CB -0.816 41.325 42.059 0.136 0.000 0.890 795 L HN 0.422 nan 8.230 nan 0.000 0.434 796 M N -0.018 119.606 119.600 0.040 0.000 2.159 796 M HA -0.179 4.300 4.480 -0.002 0.000 0.263 796 M C 2.277 178.587 176.300 0.016 0.000 1.063 796 M CA 1.728 57.040 55.300 0.020 0.000 1.110 796 M CB -0.477 32.120 32.600 -0.005 0.000 1.374 796 M HN -0.037 nan 8.290 nan 0.000 0.411 797 R N -0.330 120.156 120.500 -0.023 0.000 2.120 797 R HA -0.155 4.184 4.340 -0.002 0.000 0.234 797 R C 2.330 178.630 176.300 0.001 0.000 1.123 797 R CA 1.652 57.734 56.100 -0.029 0.000 0.975 797 R CB -0.324 29.922 30.300 -0.090 0.000 0.866 797 R HN 0.478 nan 8.270 nan 0.000 0.446 798 K N 0.067 120.425 120.400 -0.069 0.000 2.057 798 K HA -0.102 4.217 4.320 -0.002 0.000 0.207 798 K C 1.741 178.342 176.600 0.003 0.000 1.049 798 K CA 1.529 57.776 56.287 -0.066 0.000 0.931 798 K CB -0.040 32.412 32.500 -0.080 0.000 0.714 798 K HN 0.169 nan 8.250 nan 0.000 0.440 799 A N -0.147 122.694 122.820 0.035 0.000 2.123 799 A HA -0.088 4.231 4.320 -0.002 0.000 0.214 799 A C 1.768 179.388 177.584 0.060 0.000 1.152 799 A CA 0.424 52.483 52.037 0.036 0.000 0.728 799 A CB -0.574 18.450 19.000 0.039 0.000 0.814 799 A HN 0.540 nan 8.150 nan 0.000 0.464 800 Y N 0.861 121.140 120.300 -0.037 0.000 2.274 800 Y HA -0.182 4.368 4.550 -0.002 0.000 0.290 800 Y C 2.222 178.102 175.900 -0.033 0.000 1.145 800 Y CA 1.873 59.953 58.100 -0.033 0.000 1.203 800 Y CB -0.073 38.365 38.460 -0.037 0.000 0.984 800 Y HN 0.170 nan 8.280 nan 0.000 0.533 801 K N 1.321 121.694 120.400 -0.045 0.000 1.965 801 K HA -0.276 4.043 4.320 -0.002 0.000 0.218 801 K C 2.224 178.736 176.600 -0.146 0.000 1.048 801 K CA 2.192 58.412 56.287 -0.111 0.000 0.960 801 K CB -0.864 31.605 32.500 -0.052 0.000 0.732 801 K HN 0.374 nan 8.250 nan 0.000 0.444 802 K N 0.605 120.956 120.400 -0.082 0.000 2.107 802 K HA -0.158 4.162 4.320 -0.002 0.000 0.211 802 K C 2.042 178.587 176.600 -0.092 0.000 1.049 802 K CA 1.924 58.169 56.287 -0.070 0.000 0.927 802 K CB -0.280 32.199 32.500 -0.036 0.000 0.714 802 K HN 0.224 nan 8.250 nan 0.000 0.452 803 L N 0.330 121.487 121.223 -0.109 0.000 2.610 803 L HA -0.058 4.281 4.340 -0.002 0.000 0.232 803 L C 2.271 179.034 176.870 -0.179 0.000 1.149 803 L CA 0.461 55.235 54.840 -0.109 0.000 0.872 803 L CB -0.204 41.819 42.059 -0.060 0.000 0.992 803 L HN 0.327 nan 8.230 nan 0.000 0.447 804 Q N -0.422 119.220 119.800 -0.263 0.000 2.259 804 Q HA -0.098 4.241 4.340 -0.002 0.000 0.201 804 Q C 1.370 177.273 176.000 -0.162 0.000 0.938 804 Q CA 0.706 56.337 55.803 -0.286 0.000 0.872 804 Q CB 0.378 28.873 28.738 -0.405 0.000 0.971 804 Q HN 0.408 nan 8.270 nan 0.000 0.494 805 D N 0.803 121.124 120.400 -0.131 0.000 2.085 805 D HA -0.129 4.511 4.640 -0.002 0.000 0.199 805 D C 1.372 177.630 176.300 -0.070 0.000 0.981 805 D CA 1.038 54.986 54.000 -0.086 0.000 0.834 805 D CB -0.111 40.646 40.800 -0.071 0.000 0.992 805 D HN 0.116 nan 8.370 nan 0.000 0.457 806 Q N 0.083 119.843 119.800 -0.066 0.000 2.585 806 Q HA -0.142 4.197 4.340 -0.002 0.000 0.219 806 Q C 1.796 177.768 176.000 -0.047 0.000 0.984 806 Q CA 0.619 56.392 55.803 -0.050 0.000 0.915 806 Q CB 0.099 28.811 28.738 -0.043 0.000 0.967 806 Q HN 0.141 nan 8.270 nan 0.000 0.530 807 R N -0.275 120.190 120.500 -0.058 0.000 2.254 807 R HA 0.071 4.410 4.340 -0.002 0.000 0.193 807 R C 1.571 177.846 176.300 -0.043 0.000 0.929 807 R CA 0.196 56.267 56.100 -0.048 0.000 1.038 807 R CB 0.303 30.569 30.300 -0.057 0.000 1.009 807 R HN 0.229 nan 8.270 nan 0.000 0.512 808 I N 0.421 120.962 120.570 -0.048 0.000 2.235 808 I HA -0.044 4.125 4.170 -0.002 0.000 0.241 808 I C 2.396 178.492 176.117 -0.035 0.000 1.085 808 I CA 1.184 62.460 61.300 -0.040 0.000 1.378 808 I CB -0.711 37.264 38.000 -0.043 0.000 1.076 808 I HN 0.327 nan 8.210 nan 0.000 0.415 809 G N 1.700 110.478 108.800 -0.036 0.000 2.631 809 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.219 809 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.219 809 G C 1.652 176.534 174.900 -0.030 0.000 1.214 809 G CA 1.279 46.360 45.100 -0.032 0.000 0.785 809 G HN 0.264 nan 8.290 nan 0.000 0.596 810 L N 0.887 122.093 121.223 -0.029 0.000 2.013 810 L HA -0.096 4.243 4.340 -0.002 0.000 0.212 810 L C 3.026 179.882 176.870 -0.024 0.000 1.073 810 L CA 2.866 57.690 54.840 -0.026 0.000 0.753 810 L CB -0.935 41.109 42.059 -0.024 0.000 0.890 810 L HN 0.289 nan 8.230 nan 0.000 0.432 811 T N -0.286 114.253 114.554 -0.025 0.000 2.977 811 T HA -0.128 4.221 4.350 -0.002 0.000 0.271 811 T C 1.885 176.571 174.700 -0.023 0.000 1.105 811 T CA 1.213 63.300 62.100 -0.022 0.000 1.116 811 T CB -0.273 68.582 68.868 -0.022 0.000 0.878 811 T HN 0.263 nan 8.240 nan 0.000 0.509 812 L N 0.157 121.365 121.223 -0.025 0.000 1.971 812 L HA 0.025 4.364 4.340 -0.002 0.000 0.208 812 L C 2.454 179.308 176.870 -0.027 0.000 1.083 812 L CA 1.193 56.018 54.840 -0.025 0.000 0.753 812 L CB -0.595 41.448 42.059 -0.026 0.000 0.893 812 L HN 0.190 nan 8.230 nan 0.000 0.436 813 I N -0.065 120.487 120.570 -0.031 0.000 2.148 813 I HA -0.475 3.694 4.170 -0.002 0.000 0.229 813 I C 2.413 178.514 176.117 -0.027 0.000 0.993 813 I CA 1.680 62.958 61.300 -0.036 0.000 1.295 813 I CB -0.454 37.524 38.000 -0.036 0.000 1.004 813 I HN 0.454 nan 8.210 nan 0.000 0.386 814 Q N -0.006 119.782 119.800 -0.020 0.000 2.595 814 Q HA -0.246 4.093 4.340 -0.002 0.000 0.219 814 Q C 1.707 177.701 176.000 -0.010 0.000 0.984 814 Q CA 1.306 57.102 55.803 -0.012 0.000 0.910 814 Q CB -0.124 28.607 28.738 -0.012 0.000 0.956 814 Q HN 0.511 nan 8.270 nan 0.000 0.533 815 R N -2.663 117.829 120.500 -0.014 0.000 2.513 815 R HA 0.122 4.461 4.340 -0.002 0.000 0.245 815 R C 0.963 177.256 176.300 -0.012 0.000 0.908 815 R CA 0.130 56.221 56.100 -0.015 0.000 1.023 815 R CB 0.245 30.532 30.300 -0.021 0.000 1.338 815 R HN 0.038 nan 8.270 nan 0.000 0.575 816 N N 0.887 119.581 118.700 -0.010 0.000 2.333 816 N HA -0.004 4.735 4.740 -0.002 0.000 0.183 816 N C 1.688 177.219 175.510 0.034 0.000 1.030 816 N CA 1.087 54.135 53.050 -0.003 0.000 0.867 816 N CB -0.125 38.348 38.487 -0.022 0.000 1.027 816 N HN -0.061 nan 8.380 nan 0.000 0.435 817 V N 1.974 121.896 119.914 0.012 0.000 2.688 817 V HA -0.166 3.953 4.120 -0.002 0.000 0.256 817 V C 2.214 178.412 176.094 0.174 0.000 1.084 817 V CA 1.460 63.793 62.300 0.056 0.000 1.103 817 V CB -0.334 31.484 31.823 -0.008 0.000 0.688 817 V HN 0.272 nan 8.190 nan 0.000 0.480 818 R N -0.535 120.018 120.500 0.087 0.000 2.112 818 R HA -0.034 4.305 4.340 -0.002 0.000 0.216 818 R C 2.332 178.651 176.300 0.031 0.000 1.080 818 R CA 0.689 56.824 56.100 0.059 0.000 0.996 818 R CB -0.212 30.095 30.300 0.011 0.000 0.902 818 R HN 0.234 nan 8.270 nan 0.000 0.449 819 K N 0.455 120.865 120.400 0.017 0.000 2.147 819 K HA -0.184 4.135 4.320 -0.002 0.000 0.205 819 K C 1.542 178.101 176.600 -0.068 0.000 1.049 819 K CA 1.201 57.457 56.287 -0.051 0.000 0.936 819 K CB -0.343 32.122 32.500 -0.059 0.000 0.722 819 K HN 0.204 nan 8.250 nan 0.000 0.446 820 W N 0.583 121.764 121.300 -0.197 0.000 2.407 820 W HA -0.046 4.613 4.660 -0.002 0.000 0.305 820 W C 1.295 177.696 176.519 -0.196 0.000 1.196 820 W CA 1.218 58.420 57.345 -0.238 0.000 1.311 820 W CB -0.230 29.150 29.460 -0.133 0.000 1.135 820 W HN -0.004 nan 8.180 nan 0.000 0.514 821 L N 0.374 121.562 121.223 -0.057 0.000 2.081 821 L HA -0.247 4.092 4.340 -0.002 0.000 0.212 821 L C 1.769 178.420 176.870 -0.365 0.000 1.080 821 L CA 1.215 55.871 54.840 -0.307 0.000 0.754 821 L CB -1.155 40.877 42.059 -0.046 0.000 0.893 821 L HN -0.154 nan 8.230 nan 0.000 0.433 822 V N -0.142 119.601 119.914 -0.284 0.000 3.602 822 V HA -0.037 4.082 4.120 -0.002 0.000 0.289 822 V C 1.584 177.445 176.094 -0.388 0.000 1.265 822 V CA 0.672 62.798 62.300 -0.290 0.000 1.202 822 V CB 0.012 31.689 31.823 -0.244 0.000 1.012 822 V HN 0.381 nan 8.190 nan 0.000 0.431 823 L N -0.485 120.426 121.223 -0.521 0.000 3.017 823 L HA 0.167 4.506 4.340 -0.002 0.000 0.265 823 L C 2.420 179.094 176.870 -0.326 0.000 1.128 823 L CA 0.139 54.633 54.840 -0.576 0.000 0.984 823 L CB -0.028 41.319 42.059 -1.185 0.000 1.464 823 L HN 0.298 nan 8.230 nan 0.000 0.556 824 R N -0.024 120.149 120.500 -0.545 0.000 2.303 824 R HA -0.074 4.265 4.340 -0.002 0.000 0.225 824 R C 0.305 176.630 176.300 0.042 0.000 1.114 824 R CA 1.248 57.218 56.100 -0.217 0.000 1.007 824 R CB -0.373 29.465 30.300 -0.769 0.000 0.861 824 R HN 0.266 nan 8.270 nan 0.000 0.471 825 N N -0.460 118.253 118.700 0.022 0.000 2.416 825 N HA 0.027 4.766 4.740 -0.002 0.000 0.267 825 N C -1.700 173.956 175.510 0.244 0.000 1.294 825 N CA -0.190 52.919 53.050 0.098 0.000 0.891 825 N CB 0.410 38.908 38.487 0.018 0.000 1.238 825 N HN 0.206 nan 8.380 nan 0.000 0.508 826 W N 2.077 123.452 121.300 0.124 0.000 2.278 826 W HA 0.280 4.940 4.660 -0.002 0.000 0.317 826 W C 1.472 178.118 176.519 0.212 0.000 1.030 826 W CA -0.900 56.551 57.345 0.177 0.000 1.334 826 W CB 0.922 30.511 29.460 0.215 0.000 1.215 826 W HN 0.029 nan 8.180 nan 0.000 0.405 827 E N 3.541 123.710 120.200 -0.053 0.000 2.108 827 E HA -0.284 4.065 4.350 -0.002 0.000 0.203 827 E C 1.527 177.922 176.600 -0.342 0.000 1.022 827 E CA 2.529 58.778 56.400 -0.251 0.000 0.823 827 E CB -0.482 28.960 29.700 -0.429 0.000 0.744 827 E HN 0.643 nan 8.360 nan 0.000 0.456 828 W N -0.733 120.275 121.300 -0.486 0.000 2.335 828 W HA -0.134 4.525 4.660 -0.002 0.000 0.311 828 W C 2.204 178.667 176.519 -0.092 0.000 1.213 828 W CA 0.945 58.028 57.345 -0.436 0.000 1.274 828 W CB -1.032 27.852 29.460 -0.960 0.000 1.148 828 W HN 0.226 nan 8.180 nan 0.000 0.498 829 W N 1.073 122.484 121.300 0.186 0.000 2.311 829 W HA -0.231 4.428 4.660 -0.002 0.000 0.326 829 W C 2.703 179.377 176.519 0.258 0.000 1.239 829 W CA 2.097 59.661 57.345 0.366 0.000 1.258 829 W CB -1.006 28.761 29.460 0.512 0.000 1.165 829 W HN -0.243 nan 8.180 nan 0.000 0.466 830 R N -0.071 120.446 120.500 0.028 0.000 2.139 830 R HA -0.230 4.109 4.340 -0.002 0.000 0.243 830 R C 2.166 178.369 176.300 -0.162 0.000 1.145 830 R CA 1.733 57.730 56.100 -0.171 0.000 0.976 830 R CB -0.833 29.461 30.300 -0.011 0.000 0.866 830 R HN 0.325 nan 8.270 nan 0.000 0.449 831 L N -0.083 121.093 121.223 -0.079 0.000 1.950 831 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 831 L C 1.894 178.747 176.870 -0.029 0.000 1.079 831 L CA 1.858 56.662 54.840 -0.060 0.000 0.754 831 L CB -1.251 40.782 42.059 -0.044 0.000 0.889 831 L HN 0.097 nan 8.230 nan 0.000 0.433 832 F N 1.290 121.183 119.950 -0.095 0.000 2.079 832 F HA -0.444 4.082 4.527 -0.002 0.000 0.296 832 F C 2.321 178.025 175.800 -0.160 0.000 1.084 832 F CA 2.469 60.422 58.000 -0.078 0.000 1.236 832 F CB -0.665 38.327 39.000 -0.014 0.000 0.984 832 F HN 0.404 nan 8.300 nan 0.000 0.488 833 N N 0.473 119.094 118.700 -0.133 0.000 2.037 833 N HA -0.264 4.475 4.740 -0.002 0.000 0.196 833 N C 1.827 177.226 175.510 -0.186 0.000 1.034 833 N CA 2.060 54.972 53.050 -0.230 0.000 0.861 833 N CB -0.668 37.570 38.487 -0.414 0.000 1.039 833 N HN 0.264 nan 8.380 nan 0.000 0.427 834 K N 0.972 121.275 120.400 -0.160 0.000 2.365 834 K HA 0.131 4.450 4.320 -0.002 0.000 0.197 834 K C 1.093 177.611 176.600 -0.137 0.000 1.042 834 K CA 0.241 56.454 56.287 -0.124 0.000 0.987 834 K CB 0.172 32.616 32.500 -0.094 0.000 0.779 834 K HN -0.022 nan 8.250 nan 0.000 0.484 835 V N 0.725 120.534 119.914 -0.176 0.000 3.623 835 V HA 0.051 4.170 4.120 -0.002 0.000 0.271 835 V C 1.924 177.858 176.094 -0.267 0.000 1.248 835 V CA 0.679 62.867 62.300 -0.186 0.000 1.156 835 V CB -0.303 31.422 31.823 -0.164 0.000 0.870 835 V HN 0.238 nan 8.190 nan 0.000 0.453 836 K N 1.311 121.524 120.400 -0.311 0.000 1.995 836 K HA -0.015 4.305 4.320 -0.002 0.000 0.207 836 K C -0.184 176.310 176.600 -0.176 0.000 1.041 836 K CA 1.311 57.402 56.287 -0.327 0.000 0.942 836 K CB -1.017 31.315 32.500 -0.280 0.000 0.731 836 K HN 0.385 nan 8.250 nan 0.000 0.439 837 P HA -0.175 nan 4.420 nan 0.000 0.225 837 P C 0.445 177.699 177.300 -0.076 0.000 1.141 837 P CA 0.743 63.796 63.100 -0.078 0.000 0.774 837 P CB -0.007 31.656 31.700 -0.062 0.000 0.760 838 L N -0.029 121.134 121.223 -0.099 0.000 2.650 838 L HA 0.221 4.560 4.340 -0.002 0.000 0.239 838 L C 0.083 176.908 176.870 -0.074 0.000 1.412 838 L CA 0.279 55.069 54.840 -0.084 0.000 1.219 838 L CB -1.751 40.249 42.059 -0.098 0.000 1.534 838 L HN -0.127 nan 8.230 nan 0.000 0.430 839 L N 0.000 121.188 121.223 -0.058 0.000 2.949 839 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 839 L CA 0.000 54.814 54.840 -0.043 0.000 0.813 839 L CB 0.000 42.032 42.059 -0.045 0.000 0.961 839 L HN 0.000 nan 8.230 nan 0.000 0.502