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 3i5i_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 AGXXXXXXXX XXXXXXKGTL 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 KMLFTXXXXX 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 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.028 0.000 1.302 2 T N -0.277 114.231 114.554 -0.077 0.000 5.254 2 T HA 0.054 4.405 4.350 0.002 0.000 0.266 2 T C -0.991 173.634 174.700 -0.124 0.000 2.220 2 T CA -0.075 61.966 62.100 -0.097 0.000 3.809 2 T CB -0.687 68.123 68.868 -0.097 0.000 0.126 2 T HN 0.598 nan 8.240 nan 0.000 0.841 3 M N 1.626 121.136 119.600 -0.150 0.000 2.383 3 M HA 0.515 4.997 4.480 0.002 0.000 0.325 3 M C -1.016 175.039 176.300 -0.407 0.000 1.092 3 M CA -0.606 54.577 55.300 -0.195 0.000 0.961 3 M CB 1.830 34.368 32.600 -0.102 0.000 1.672 3 M HN 0.015 nan 8.290 nan 0.000 0.438 4 D N 3.096 123.287 120.400 -0.349 0.000 2.425 4 D HA 0.284 4.925 4.640 0.002 0.000 0.240 4 D C -0.337 175.760 176.300 -0.339 0.000 1.080 4 D CA -0.472 53.258 54.000 -0.449 0.000 0.836 4 D CB 0.811 41.484 40.800 -0.212 0.000 1.125 4 D HN 0.471 nan 8.370 nan 0.000 0.525 5 F N 2.048 122.007 119.950 0.015 0.000 2.699 5 F HA 0.044 4.572 4.527 0.002 0.000 0.299 5 F C 1.713 177.529 175.800 0.027 0.000 1.316 5 F CA -0.138 57.877 58.000 0.025 0.000 1.452 5 F CB -0.186 38.822 39.000 0.014 0.000 1.098 5 F HN 0.140 nan 8.300 nan 0.000 0.543 6 S N -2.067 113.673 115.700 0.068 0.000 2.727 6 S HA -0.053 4.418 4.470 0.002 0.000 0.249 6 S C 0.400 175.026 174.600 0.044 0.000 1.079 6 S CA -0.392 57.845 58.200 0.062 0.000 0.912 6 S CB 0.094 63.315 63.200 0.036 0.000 0.861 6 S HN 0.248 nan 8.310 nan 0.000 0.484 7 D N 3.785 124.198 120.400 0.022 0.000 2.497 7 D HA 0.021 4.662 4.640 0.002 0.000 0.285 7 D C -1.779 174.559 176.300 0.064 0.000 1.452 7 D CA -1.116 52.904 54.000 0.032 0.000 1.132 7 D CB 0.534 41.348 40.800 0.022 0.000 1.132 7 D HN 0.056 nan 8.370 nan 0.000 0.555 8 P HA -0.244 nan 4.420 nan 0.000 0.225 8 P C 0.711 178.074 177.300 0.105 0.000 1.155 8 P CA 1.128 64.271 63.100 0.072 0.000 0.863 8 P CB 0.255 31.992 31.700 0.061 0.000 0.774 9 D N -1.962 118.508 120.400 0.116 0.000 2.144 9 D HA -0.086 4.556 4.640 0.002 0.000 0.200 9 D C 1.657 178.075 176.300 0.196 0.000 0.978 9 D CA 1.027 55.121 54.000 0.156 0.000 0.833 9 D CB -0.509 40.379 40.800 0.146 0.000 0.961 9 D HN 0.183 nan 8.370 nan 0.000 0.470 10 M N 0.673 120.377 119.600 0.173 0.000 2.700 10 M HA -0.059 4.423 4.480 0.002 0.000 0.249 10 M C 1.711 178.117 176.300 0.176 0.000 1.082 10 M CA 0.454 55.877 55.300 0.206 0.000 1.077 10 M CB -0.695 32.015 32.600 0.184 0.000 1.477 10 M HN 0.143 nan 8.290 nan 0.000 0.529 11 E N 0.286 120.544 120.200 0.097 0.000 2.219 11 E HA -0.206 4.145 4.350 0.002 0.000 0.198 11 E C 0.844 177.162 176.600 -0.469 0.000 0.998 11 E CA 1.320 57.641 56.400 -0.131 0.000 0.818 11 E CB 0.107 29.712 29.700 -0.158 0.000 0.741 11 E HN 0.478 nan 8.360 nan 0.000 0.477 12 F N -1.060 118.872 119.950 -0.030 0.000 2.706 12 F HA 0.236 4.764 4.527 0.002 0.000 0.308 12 F C 1.432 177.230 175.800 -0.004 0.000 1.095 12 F CA -0.172 57.678 58.000 -0.250 0.000 1.244 12 F CB 0.569 39.430 39.000 -0.232 0.000 1.063 12 F HN -0.025 nan 8.300 nan 0.000 0.582 13 L N -2.335 119.170 121.223 0.470 0.000 2.433 13 L HA -0.009 4.332 4.340 0.002 0.000 0.200 13 L C 2.065 179.303 176.870 0.613 0.000 1.059 13 L CA 0.322 55.516 54.840 0.589 0.000 0.835 13 L CB -0.446 41.879 42.059 0.442 0.000 1.076 13 L HN 0.163 nan 8.230 nan 0.000 0.481 14 C N -0.218 119.384 119.300 0.503 0.000 4.308 14 C HA 0.099 4.560 4.460 0.002 0.000 0.296 14 C C 0.755 175.786 174.990 0.068 0.000 1.254 14 C CA 0.318 59.504 59.018 0.280 0.000 1.824 14 C CB -0.102 27.814 27.740 0.294 0.000 2.103 14 C HN 0.494 nan 8.230 nan 0.000 0.443 15 L N 0.023 121.388 121.223 0.238 0.000 1.482 15 L HA 0.015 4.357 4.340 0.002 0.000 0.491 15 L C -0.087 176.808 176.870 0.042 0.000 1.001 15 L CA 0.817 55.737 54.840 0.134 0.000 1.133 15 L CB -1.476 40.486 42.059 -0.163 0.000 1.789 15 L HN 0.721 nan 8.230 nan 0.000 0.999 16 T N 2.099 116.686 114.554 0.055 0.000 2.904 16 T HA 0.447 4.798 4.350 0.002 0.000 0.290 16 T C 1.286 175.921 174.700 -0.109 0.000 1.018 16 T CA 0.250 62.382 62.100 0.054 0.000 1.075 16 T CB 1.517 70.442 68.868 0.095 0.000 0.986 16 T HN 0.909 nan 8.240 nan 0.000 0.523 17 R N 1.054 121.453 120.500 -0.167 0.000 2.196 17 R HA -0.292 4.049 4.340 0.002 0.000 0.244 17 R C 2.458 178.673 176.300 -0.142 0.000 1.121 17 R CA 2.687 58.624 56.100 -0.270 0.000 0.930 17 R CB -0.635 29.660 30.300 -0.008 0.000 0.890 17 R HN 0.894 nan 8.270 nan 0.000 0.435 18 Q N -0.151 119.619 119.800 -0.050 0.000 2.045 18 Q HA -0.219 4.123 4.340 0.002 0.000 0.206 18 Q C 2.180 178.150 176.000 -0.050 0.000 0.991 18 Q CA 2.398 58.179 55.803 -0.037 0.000 0.851 18 Q CB -0.024 28.710 28.738 -0.008 0.000 0.911 18 Q HN 0.396 nan 8.270 nan 0.000 0.418 19 K N -0.023 120.351 120.400 -0.043 0.000 2.103 19 K HA -0.188 4.133 4.320 0.002 0.000 0.207 19 K C 2.011 178.571 176.600 -0.066 0.000 1.048 19 K CA 0.990 57.256 56.287 -0.035 0.000 0.930 19 K CB -0.174 32.320 32.500 -0.009 0.000 0.716 19 K HN 0.114 nan 8.250 nan 0.000 0.444 20 L N 0.892 122.040 121.223 -0.125 0.000 2.023 20 L HA -0.054 4.287 4.340 0.002 0.000 0.205 20 L C 2.337 179.130 176.870 -0.129 0.000 1.073 20 L CA 1.478 56.224 54.840 -0.158 0.000 0.745 20 L CB -0.459 41.439 42.059 -0.269 0.000 0.900 20 L HN 0.095 nan 8.230 nan 0.000 0.435 21 M N -0.283 119.239 119.600 -0.131 0.000 2.144 21 M HA -0.253 4.228 4.480 0.002 0.000 0.260 21 M C 2.168 178.427 176.300 -0.069 0.000 1.067 21 M CA 2.017 57.256 55.300 -0.102 0.000 1.095 21 M CB -0.363 32.185 32.600 -0.088 0.000 1.365 21 M HN 0.469 nan 8.290 nan 0.000 0.406 22 E N -0.571 119.596 120.200 -0.054 0.000 2.031 22 E HA -0.204 4.147 4.350 0.002 0.000 0.193 22 E C 1.851 178.440 176.600 -0.018 0.000 0.994 22 E CA 1.451 57.834 56.400 -0.028 0.000 0.800 22 E CB -0.225 29.465 29.700 -0.016 0.000 0.752 22 E HN 0.623 nan 8.360 nan 0.000 0.447 23 A N 0.004 122.810 122.820 -0.023 0.000 1.969 23 A HA -0.098 4.223 4.320 0.002 0.000 0.218 23 A C 2.284 179.857 177.584 -0.018 0.000 1.169 23 A CA 1.704 53.740 52.037 -0.002 0.000 0.635 23 A CB -0.625 18.373 19.000 -0.003 0.000 0.810 23 A HN 0.322 nan 8.150 nan 0.000 0.445 24 T N 0.189 114.708 114.554 -0.058 0.000 3.072 24 T HA -0.025 4.326 4.350 0.002 0.000 0.266 24 T C 1.730 176.384 174.700 -0.077 0.000 1.127 24 T CA 1.468 63.515 62.100 -0.088 0.000 1.107 24 T CB -0.174 68.620 68.868 -0.124 0.000 0.910 24 T HN 0.711 nan 8.240 nan 0.000 0.513 25 S N 0.651 116.323 115.700 -0.046 0.000 2.603 25 S HA 0.249 4.720 4.470 0.002 0.000 0.232 25 S C 0.788 175.390 174.600 0.003 0.000 1.016 25 S CA -0.831 57.350 58.200 -0.031 0.000 0.976 25 S CB -0.709 62.471 63.200 -0.033 0.000 0.921 25 S HN 0.628 nan 8.310 nan 0.000 0.516 26 I N -0.102 120.481 120.570 0.021 0.000 3.366 26 I HA 0.301 4.472 4.170 0.002 0.000 0.283 26 I C -2.560 173.605 176.117 0.079 0.000 1.290 26 I CA -1.492 59.839 61.300 0.052 0.000 1.353 26 I CB -0.830 37.215 38.000 0.075 0.000 1.343 26 I HN -0.084 nan 8.210 nan 0.000 0.607 27 P HA 0.343 nan 4.420 nan 0.000 0.272 27 P C -1.136 176.289 177.300 0.208 0.000 1.230 27 P CA 0.210 63.373 63.100 0.104 0.000 0.788 27 P CB 0.347 32.080 31.700 0.056 0.000 0.949 28 F N 0.490 120.428 119.950 -0.019 0.000 2.746 28 F HA 0.364 4.893 4.527 0.002 0.000 0.311 28 F C -1.948 173.838 175.800 -0.023 0.000 1.135 28 F CA -0.547 57.436 58.000 -0.028 0.000 0.954 28 F CB 1.804 40.788 39.000 -0.026 0.000 1.276 28 F HN 0.212 nan 8.300 nan 0.000 0.440 29 D N 1.730 121.702 120.400 -0.713 0.000 2.990 29 D HA 0.432 5.074 4.640 0.002 0.000 0.227 29 D C 0.276 176.318 176.300 -0.431 0.000 1.249 29 D CA 0.105 53.905 54.000 -0.333 0.000 0.891 29 D CB 2.056 42.709 40.800 -0.246 0.000 1.647 29 D HN 0.702 nan 8.370 nan 0.000 0.530 30 G N 2.272 111.060 108.800 -0.021 0.000 2.623 30 G HA2 -0.086 3.876 3.960 0.002 0.000 0.214 30 G HA3 -0.086 3.876 3.960 0.002 0.000 0.214 30 G C 0.901 175.796 174.900 -0.009 0.000 1.138 30 G CA 0.143 45.297 45.100 0.090 0.000 0.794 30 G HN 0.446 nan 8.290 nan 0.000 0.535 31 K N -0.031 120.338 120.400 -0.051 0.000 2.404 31 K HA 0.186 4.507 4.320 0.002 0.000 0.194 31 K C 1.289 177.836 176.600 -0.089 0.000 1.023 31 K CA 0.316 56.573 56.287 -0.050 0.000 1.094 31 K CB 0.324 32.804 32.500 -0.033 0.000 0.841 31 K HN 0.130 nan 8.250 nan 0.000 0.523 32 K N -0.293 120.016 120.400 -0.152 0.000 2.711 32 K HA 0.103 4.424 4.320 0.002 0.000 0.197 32 K C -0.119 176.340 176.600 -0.235 0.000 1.535 32 K CA -0.074 56.112 56.287 -0.167 0.000 1.170 32 K CB 0.189 32.604 32.500 -0.142 0.000 1.596 32 K HN -0.020 nan 8.250 nan 0.000 0.584 33 N N 2.053 120.512 118.700 -0.402 0.000 2.454 33 N HA 0.093 4.835 4.740 0.002 0.000 0.254 33 N C 0.249 175.540 175.510 -0.364 0.000 1.228 33 N CA 0.146 52.909 53.050 -0.477 0.000 0.900 33 N CB 0.492 38.403 38.487 -0.960 0.000 1.089 33 N HN 0.374 nan 8.380 nan 0.000 0.449 34 C N -1.068 118.046 119.300 -0.310 0.000 3.249 34 C HA 0.548 5.009 4.460 0.002 0.000 0.350 34 C C -1.630 173.255 174.990 -0.176 0.000 1.431 34 C CA -1.566 57.275 59.018 -0.294 0.000 1.209 34 C CB 0.150 27.801 27.740 -0.148 0.000 1.546 34 C HN 0.761 nan 8.230 nan 0.000 0.450 35 W N 0.529 121.819 121.300 -0.016 0.000 2.390 35 W HA 0.675 5.336 4.660 0.002 0.000 0.312 35 W C -0.165 176.376 176.519 0.036 0.000 1.123 35 W CA -0.638 56.713 57.345 0.011 0.000 1.202 35 W CB 1.700 31.130 29.460 -0.049 0.000 1.251 35 W HN 0.655 nan 8.180 nan 0.000 0.511 36 V N 5.833 125.985 119.914 0.397 0.000 2.888 36 V HA 0.432 4.553 4.120 0.002 0.000 0.309 36 V C -2.103 174.141 176.094 0.249 0.000 1.114 36 V CA -2.720 59.730 62.300 0.251 0.000 0.940 36 V CB 2.751 34.656 31.823 0.137 0.000 1.021 36 V HN 0.259 nan 8.190 nan 0.000 0.426 37 P HA 0.144 nan 4.420 nan 0.000 0.267 37 P C -1.330 175.863 177.300 -0.178 0.000 1.205 37 P CA 0.266 63.349 63.100 -0.030 0.000 0.765 37 P CB 0.640 32.343 31.700 0.005 0.000 0.828 38 D N 4.367 124.554 120.400 -0.356 0.000 2.505 38 D HA 0.241 4.882 4.640 0.002 0.000 0.250 38 D C -1.794 174.311 176.300 -0.325 0.000 1.164 38 D CA -2.364 51.406 54.000 -0.382 0.000 0.870 38 D CB 1.705 42.103 40.800 -0.670 0.000 1.160 38 D HN -0.024 nan 8.370 nan 0.000 0.549 39 P HA -0.159 nan 4.420 nan 0.000 0.214 39 P C 0.645 177.910 177.300 -0.059 0.000 1.172 39 P CA 1.210 64.242 63.100 -0.113 0.000 0.925 39 P CB 0.461 32.127 31.700 -0.056 0.000 0.793 40 D N -1.489 118.933 120.400 0.037 0.000 2.117 40 D HA -0.090 4.552 4.640 0.002 0.000 0.197 40 D C 0.713 177.218 176.300 0.342 0.000 0.987 40 D CA 1.117 55.258 54.000 0.235 0.000 0.829 40 D CB -0.365 40.710 40.800 0.459 0.000 0.961 40 D HN 0.371 nan 8.370 nan 0.000 0.460 41 F N -2.406 117.513 119.950 -0.051 0.000 2.646 41 F HA 0.612 5.140 4.527 0.002 0.000 0.336 41 F C 1.118 176.868 175.800 -0.083 0.000 1.437 41 F CA -0.657 57.314 58.000 -0.047 0.000 1.142 41 F CB 0.523 39.519 39.000 -0.006 0.000 1.530 41 F HN 0.068 nan 8.300 nan 0.000 0.591 42 G N 1.941 110.636 108.800 -0.175 0.000 2.620 42 G HA2 -0.321 3.641 3.960 0.002 0.000 0.315 42 G HA3 -0.321 3.641 3.960 0.002 0.000 0.315 42 G C -0.512 173.985 174.900 -0.671 0.000 1.179 42 G CA 0.717 45.598 45.100 -0.365 0.000 0.971 42 G HN 0.477 nan 8.290 nan 0.000 0.544 43 F N -0.262 119.592 119.950 -0.160 0.000 2.532 43 F HA 0.714 5.242 4.527 0.002 0.000 0.321 43 F C 0.414 176.129 175.800 -0.143 0.000 1.089 43 F CA -0.859 57.038 58.000 -0.172 0.000 0.926 43 F CB 2.532 41.386 39.000 -0.243 0.000 1.168 43 F HN 0.339 nan 8.300 nan 0.000 0.459 44 V N 1.265 121.248 119.914 0.116 0.000 2.864 44 V HA 0.725 4.846 4.120 0.002 0.000 0.314 44 V C 0.097 176.443 176.094 0.420 0.000 1.073 44 V CA -0.962 61.443 62.300 0.176 0.000 0.956 44 V CB 2.195 33.979 31.823 -0.065 0.000 1.023 44 V HN 0.879 nan 8.190 nan 0.000 0.435 45 G N 1.240 110.329 108.800 0.482 0.000 2.432 45 G HA2 0.664 4.626 3.960 0.002 0.000 0.257 45 G HA3 0.664 4.626 3.960 0.002 0.000 0.257 45 G C -0.322 174.675 174.900 0.163 0.000 1.238 45 G CA 0.601 45.924 45.100 0.371 0.000 0.838 45 G HN 1.256 nan 8.290 nan 0.000 0.547 46 A N 1.931 124.787 122.820 0.060 0.000 2.529 46 A HA 0.865 5.186 4.320 0.002 0.000 0.296 46 A C -0.897 176.650 177.584 -0.062 0.000 1.205 46 A CA -0.708 51.337 52.037 0.014 0.000 0.671 46 A CB 1.431 20.454 19.000 0.038 0.000 1.301 46 A HN 0.604 nan 8.150 nan 0.000 0.450 47 E N -0.003 120.165 120.200 -0.055 0.000 2.272 47 E HA 0.542 4.894 4.350 0.002 0.000 0.269 47 E C -1.289 175.276 176.600 -0.060 0.000 0.877 47 E CA -0.543 55.806 56.400 -0.085 0.000 0.755 47 E CB 1.917 31.569 29.700 -0.080 0.000 1.192 47 E HN 0.522 nan 8.360 nan 0.000 0.422 48 I N 4.003 124.531 120.570 -0.070 0.000 2.416 48 I HA -0.002 4.169 4.170 0.002 0.000 0.288 48 I C 1.117 177.210 176.117 -0.040 0.000 1.051 48 I CA -0.246 61.024 61.300 -0.049 0.000 1.375 48 I CB 0.944 38.913 38.000 -0.052 0.000 1.407 48 I HN 0.501 nan 8.210 nan 0.000 0.516 49 Q N 3.933 123.717 119.800 -0.027 0.000 2.019 49 Q HA 0.096 4.437 4.340 0.002 0.000 0.195 49 Q C 0.558 176.547 176.000 -0.018 0.000 0.981 49 Q CA 0.925 56.715 55.803 -0.021 0.000 0.832 49 Q CB 0.077 28.807 28.738 -0.014 0.000 0.902 49 Q HN 0.807 nan 8.270 nan 0.000 0.461 50 S N -1.033 114.659 115.700 -0.015 0.000 2.569 50 S HA 0.721 5.192 4.470 0.002 0.000 0.280 50 S C -0.372 174.221 174.600 -0.011 0.000 1.111 50 S CA -0.737 57.456 58.200 -0.012 0.000 0.887 50 S CB 2.434 65.629 63.200 -0.009 0.000 1.095 50 S HN 0.039 nan 8.310 nan 0.000 0.476 51 T N 1.090 115.638 114.554 -0.011 0.000 2.841 51 T HA 0.854 5.205 4.350 0.002 0.000 0.276 51 T C -1.077 173.619 174.700 -0.006 0.000 1.003 51 T CA -0.862 61.232 62.100 -0.009 0.000 0.995 51 T CB 1.189 70.051 68.868 -0.011 0.000 1.260 51 T HN 0.927 nan 8.240 nan 0.000 0.581 52 K N -0.016 120.381 120.400 -0.005 0.000 2.925 52 K HA 0.367 4.688 4.320 0.002 0.000 0.349 52 K C 0.137 176.736 176.600 -0.003 0.000 1.309 52 K CA 0.399 56.684 56.287 -0.004 0.000 1.066 52 K CB -0.503 31.995 32.500 -0.003 0.000 1.327 52 K HN 1.067 nan 8.250 nan 0.000 0.436 53 G N 3.426 112.225 108.800 -0.002 0.000 2.581 53 G HA2 -0.288 3.673 3.960 0.002 0.000 0.291 53 G HA3 -0.288 3.673 3.960 0.002 0.000 0.291 53 G C -0.739 174.160 174.900 -0.002 0.000 1.277 53 G CA 0.542 45.642 45.100 -0.001 0.000 0.959 53 G HN 0.669 nan 8.290 nan 0.000 0.554 54 D N 2.056 122.456 120.400 -0.001 0.000 2.505 54 D HA 0.533 5.175 4.640 0.002 0.000 0.242 54 D C 0.156 176.456 176.300 0.000 0.000 1.136 54 D CA 0.496 54.496 54.000 -0.000 0.000 0.954 54 D CB 0.533 41.334 40.800 0.001 0.000 1.002 54 D HN 0.581 nan 8.370 nan 0.000 0.512 55 E N 1.353 121.553 120.200 -0.001 0.000 2.716 55 E HA 0.100 4.451 4.350 0.002 0.000 0.379 55 E C -1.640 174.959 176.600 -0.002 0.000 0.969 55 E CA -0.248 56.152 56.400 -0.000 0.000 0.735 55 E CB 0.682 30.382 29.700 0.000 0.000 1.498 55 E HN -0.014 nan 8.360 nan 0.000 0.395 56 V N 2.469 122.382 119.914 -0.002 0.000 2.743 56 V HA 0.472 4.593 4.120 0.002 0.000 0.301 56 V C 0.283 176.376 176.094 -0.003 0.000 1.057 56 V CA -0.039 62.258 62.300 -0.005 0.000 1.006 56 V CB 1.967 33.786 31.823 -0.008 0.000 1.024 56 V HN 0.632 nan 8.190 nan 0.000 0.473 57 T N 3.570 118.120 114.554 -0.006 0.000 2.824 57 T HA 0.710 5.062 4.350 0.002 0.000 0.280 57 T C -0.604 174.092 174.700 -0.007 0.000 0.995 57 T CA -0.249 61.848 62.100 -0.005 0.000 1.009 57 T CB 1.508 70.373 68.868 -0.005 0.000 0.955 57 T HN 0.408 nan 8.240 nan 0.000 0.452 58 V N 2.378 122.290 119.914 -0.003 0.000 3.159 58 V HA 0.645 4.766 4.120 0.002 0.000 0.308 58 V C -0.757 175.337 176.094 -0.000 0.000 1.190 58 V CA -1.103 61.194 62.300 -0.005 0.000 1.037 58 V CB 2.617 34.440 31.823 -0.001 0.000 1.060 58 V HN 0.781 nan 8.190 nan 0.000 0.437 59 K N 1.247 121.646 120.400 -0.002 0.000 2.397 59 K HA 0.685 5.007 4.320 0.002 0.000 0.253 59 K C -0.465 176.143 176.600 0.013 0.000 0.932 59 K CA -0.286 56.004 56.287 0.006 0.000 0.795 59 K CB 2.085 34.585 32.500 -0.000 0.000 1.159 59 K HN 0.951 nan 8.250 nan 0.000 0.424 60 T N 0.398 114.970 114.554 0.029 0.000 2.918 60 T HA 0.227 4.578 4.350 0.002 0.000 0.283 60 T C 0.436 175.172 174.700 0.059 0.000 1.001 60 T CA -0.538 61.592 62.100 0.049 0.000 1.041 60 T CB 1.125 70.028 68.868 0.059 0.000 1.028 60 T HN 0.522 nan 8.240 nan 0.000 0.511 61 D N 0.892 121.341 120.400 0.082 0.000 1.913 61 D HA 0.016 4.657 4.640 0.002 0.000 0.280 61 D C 1.537 177.900 176.300 0.105 0.000 1.012 61 D CA 0.517 54.569 54.000 0.088 0.000 0.892 61 D CB -0.373 40.493 40.800 0.110 0.000 1.119 61 D HN 0.649 nan 8.370 nan 0.000 0.434 62 K N -0.152 120.332 120.400 0.141 0.000 2.674 62 K HA -0.126 4.195 4.320 0.002 0.000 0.195 62 K C 0.289 176.969 176.600 0.133 0.000 1.039 62 K CA 0.946 57.319 56.287 0.145 0.000 0.926 62 K CB -0.084 32.533 32.500 0.195 0.000 0.775 62 K HN 0.207 nan 8.250 nan 0.000 0.498 63 T N -1.613 113.012 114.554 0.118 0.000 3.266 63 T HA -0.022 4.329 4.350 0.002 0.000 0.264 63 T C -1.247 173.498 174.700 0.076 0.000 0.839 63 T CA -0.501 61.661 62.100 0.104 0.000 0.828 63 T CB 0.536 69.493 68.868 0.149 0.000 1.255 63 T HN 0.074 nan 8.240 nan 0.000 0.652 64 Q N 0.778 120.620 119.800 0.071 0.000 3.238 64 Q HA -0.083 4.258 4.340 0.002 0.000 0.025 64 Q C -0.569 175.460 176.000 0.049 0.000 1.711 64 Q CA 1.236 57.069 55.803 0.050 0.000 0.239 64 Q CB -0.567 28.194 28.738 0.039 0.000 0.585 64 Q HN 0.669 nan 8.270 nan 0.000 0.322 65 E N 0.026 120.248 120.200 0.037 0.000 4.021 65 E HA 0.130 4.482 4.350 0.002 0.000 0.369 65 E C -1.681 174.933 176.600 0.023 0.000 1.087 65 E CA 0.195 56.614 56.400 0.032 0.000 0.852 65 E CB 0.470 30.195 29.700 0.040 0.000 1.204 65 E HN 0.420 nan 8.360 nan 0.000 0.536 66 T N 5.191 119.755 114.554 0.017 0.000 2.747 66 T HA 0.503 4.854 4.350 0.002 0.000 0.301 66 T C -0.061 174.645 174.700 0.010 0.000 0.952 66 T CA -0.386 61.721 62.100 0.011 0.000 0.983 66 T CB 0.140 69.013 68.868 0.008 0.000 0.930 66 T HN 0.233 nan 8.240 nan 0.000 0.494 67 R N 1.807 122.312 120.500 0.009 0.000 2.758 67 R HA 0.694 5.035 4.340 0.002 0.000 0.265 67 R C -0.794 175.509 176.300 0.005 0.000 1.016 67 R CA -0.962 55.142 56.100 0.006 0.000 1.040 67 R CB 1.381 31.684 30.300 0.004 0.000 1.152 67 R HN 0.269 nan 8.270 nan 0.000 0.503 68 V N 2.773 122.689 119.914 0.004 0.000 2.275 68 V HA 0.197 4.318 4.120 0.002 0.000 0.272 68 V C -0.377 175.719 176.094 0.005 0.000 1.028 68 V CA -0.446 61.856 62.300 0.003 0.000 0.810 68 V CB 1.339 33.163 31.823 0.002 0.000 1.043 68 V HN 0.430 nan 8.190 nan 0.000 0.453 69 V N 5.374 125.293 119.914 0.008 0.000 2.716 69 V HA 0.415 4.536 4.120 0.002 0.000 0.304 69 V C 0.549 176.649 176.094 0.011 0.000 1.053 69 V CA -0.926 61.382 62.300 0.013 0.000 0.984 69 V CB 1.909 33.745 31.823 0.022 0.000 1.021 69 V HN 0.685 nan 8.190 nan 0.000 0.467 70 K N 1.708 122.116 120.400 0.013 0.000 2.138 70 K HA 0.270 4.591 4.320 0.002 0.000 0.251 70 K C 0.955 177.561 176.600 0.009 0.000 1.015 70 K CA -0.487 55.806 56.287 0.010 0.000 0.917 70 K CB 0.802 33.309 32.500 0.011 0.000 1.021 70 K HN 0.464 nan 8.250 nan 0.000 0.485 71 K N 0.774 121.176 120.400 0.004 0.000 2.009 71 K HA -0.174 4.148 4.320 0.002 0.000 0.210 71 K C 0.917 177.517 176.600 -0.001 0.000 1.049 71 K CA 1.559 57.845 56.287 -0.001 0.000 0.929 71 K CB -0.013 32.485 32.500 -0.003 0.000 0.714 71 K HN 0.457 nan 8.250 nan 0.000 0.440 72 D N 0.604 121.006 120.400 0.004 0.000 2.856 72 D HA -0.021 4.620 4.640 0.002 0.000 0.242 72 D C -0.344 175.967 176.300 0.018 0.000 1.226 72 D CA 0.470 54.473 54.000 0.005 0.000 0.855 72 D CB -0.039 40.765 40.800 0.006 0.000 1.065 72 D HN 0.126 nan 8.370 nan 0.000 0.462 73 D N -0.394 120.021 120.400 0.024 0.000 2.460 73 D HA 0.060 4.702 4.640 0.002 0.000 0.263 73 D C 0.787 177.124 176.300 0.061 0.000 1.209 73 D CA -0.140 53.892 54.000 0.053 0.000 0.818 73 D CB 1.110 41.943 40.800 0.055 0.000 1.239 73 D HN 0.417 nan 8.370 nan 0.000 0.530 74 I N 0.060 120.646 120.570 0.028 0.000 2.379 74 I HA 0.538 4.709 4.170 0.002 0.000 0.290 74 I C 0.424 176.544 176.117 0.005 0.000 1.063 74 I CA -0.391 60.922 61.300 0.022 0.000 1.351 74 I CB 1.089 39.081 38.000 -0.012 0.000 1.410 74 I HN -0.266 nan 8.210 nan 0.000 0.505 75 G N 5.787 114.623 108.800 0.060 0.000 2.322 75 G HA2 0.294 4.255 3.960 0.002 0.000 0.309 75 G HA3 0.294 4.255 3.960 0.002 0.000 0.309 75 G C -0.377 174.502 174.900 -0.035 0.000 1.121 75 G CA -0.597 44.536 45.100 0.055 0.000 0.886 75 G HN 0.793 nan 8.290 nan 0.000 0.447 76 Q N 1.305 120.953 119.800 -0.253 0.000 2.255 76 Q HA 0.087 4.428 4.340 0.002 0.000 0.280 76 Q C 0.553 176.311 176.000 -0.403 0.000 1.068 76 Q CA 0.300 55.765 55.803 -0.564 0.000 0.911 76 Q CB 1.321 29.243 28.738 -1.360 0.000 1.157 76 Q HN 0.565 nan 8.270 nan 0.000 0.380 77 R N 2.356 122.636 120.500 -0.366 0.000 2.500 77 R HA 0.195 4.536 4.340 0.002 0.000 0.277 77 R C -0.523 175.894 176.300 0.195 0.000 1.026 77 R CA -0.652 55.105 56.100 -0.572 0.000 1.058 77 R CB 0.766 30.366 30.300 -1.167 0.000 1.078 77 R HN 0.518 nan 8.270 nan 0.000 0.509 78 N N 3.387 122.186 118.700 0.165 0.000 2.530 78 N HA 0.270 5.012 4.740 0.002 0.000 0.277 78 N C -2.345 173.068 175.510 -0.160 0.000 1.168 78 N CA -1.504 51.608 53.050 0.105 0.000 0.979 78 N CB 0.897 39.375 38.487 -0.016 0.000 1.141 78 N HN 0.448 nan 8.380 nan 0.000 0.459 79 P HA 0.191 nan 4.420 nan 0.000 0.274 79 P C -1.963 175.081 177.300 -0.426 0.000 1.246 79 P CA -1.136 61.465 63.100 -0.831 0.000 0.795 79 P CB 0.472 31.905 31.700 -0.443 0.000 1.006 80 P HA -0.211 nan 4.420 nan 0.000 0.217 80 P C 1.599 178.767 177.300 -0.220 0.000 1.151 80 P CA 2.144 65.099 63.100 -0.241 0.000 0.849 80 P CB -0.187 31.407 31.700 -0.178 0.000 0.787 81 K N -0.846 119.332 120.400 -0.371 0.000 2.286 81 K HA -0.161 4.160 4.320 0.002 0.000 0.203 81 K C 1.180 177.474 176.600 -0.510 0.000 1.045 81 K CA 1.329 57.313 56.287 -0.504 0.000 0.935 81 K CB -0.509 31.547 32.500 -0.739 0.000 0.737 81 K HN 0.170 nan 8.250 nan 0.000 0.460 82 F N 1.389 121.283 119.950 -0.093 0.000 2.765 82 F HA 0.147 4.675 4.527 0.002 0.000 0.302 82 F C 0.543 176.351 175.800 0.012 0.000 1.111 82 F CA -0.567 57.410 58.000 -0.039 0.000 1.359 82 F CB 0.272 39.248 39.000 -0.040 0.000 1.097 82 F HN -0.165 nan 8.300 nan 0.000 0.577 83 E N 1.317 121.598 120.200 0.136 0.000 2.392 83 E HA -0.005 4.346 4.350 0.002 0.000 0.264 83 E C 0.983 177.636 176.600 0.087 0.000 1.024 83 E CA 0.279 56.770 56.400 0.153 0.000 0.903 83 E CB 0.434 30.203 29.700 0.115 0.000 0.963 83 E HN 0.163 nan 8.360 nan 0.000 0.432 84 M N -0.186 119.472 119.600 0.097 0.000 2.856 84 M HA -0.285 4.196 4.480 0.002 0.000 0.189 84 M C 0.218 176.509 176.300 -0.015 0.000 0.612 84 M CA 0.651 55.945 55.300 -0.011 0.000 0.673 84 M CB -2.745 29.788 32.600 -0.111 0.000 2.440 84 M HN 0.704 nan 8.290 nan 0.000 0.437 85 N N 0.213 118.960 118.700 0.078 0.000 2.294 85 N HA -0.001 4.740 4.740 0.002 0.000 0.248 85 N C 1.098 176.656 175.510 0.079 0.000 1.242 85 N CA 0.441 53.553 53.050 0.103 0.000 0.848 85 N CB 0.437 39.041 38.487 0.194 0.000 1.084 85 N HN 0.397 nan 8.380 nan 0.000 0.457 86 M N 0.710 120.364 119.600 0.089 0.000 2.394 86 M HA 0.010 4.491 4.480 0.002 0.000 0.266 86 M C -0.017 176.402 176.300 0.198 0.000 1.098 86 M CA 0.698 56.065 55.300 0.112 0.000 1.149 86 M CB 0.141 32.818 32.600 0.128 0.000 1.369 86 M HN 0.460 nan 8.290 nan 0.000 0.450 87 D N -0.201 120.324 120.400 0.208 0.000 2.542 87 D HA 0.260 4.901 4.640 0.002 0.000 0.252 87 D C 0.345 176.746 176.300 0.169 0.000 1.222 87 D CA -0.160 53.982 54.000 0.237 0.000 0.895 87 D CB 1.109 42.041 40.800 0.221 0.000 1.207 87 D HN 0.108 nan 8.370 nan 0.000 0.558 88 M N 2.231 121.927 119.600 0.160 0.000 2.629 88 M HA -0.023 4.458 4.480 0.002 0.000 0.257 88 M C 1.804 178.157 176.300 0.088 0.000 1.071 88 M CA 0.642 56.012 55.300 0.118 0.000 1.077 88 M CB 0.021 32.691 32.600 0.116 0.000 1.423 88 M HN 0.447 nan 8.290 nan 0.000 0.508 89 A N 1.069 123.947 122.820 0.097 0.000 1.930 89 A HA -0.118 4.203 4.320 0.002 0.000 0.217 89 A C 1.878 179.496 177.584 0.057 0.000 1.175 89 A CA 1.424 53.502 52.037 0.070 0.000 0.627 89 A CB -0.499 18.538 19.000 0.061 0.000 0.815 89 A HN 0.453 nan 8.150 nan 0.000 0.443 90 N N 0.084 118.828 118.700 0.074 0.000 2.512 90 N HA 0.038 4.780 4.740 0.002 0.000 0.183 90 N C 0.350 175.878 175.510 0.030 0.000 1.073 90 N CA 0.213 53.318 53.050 0.092 0.000 0.911 90 N CB -0.355 38.220 38.487 0.146 0.000 0.964 90 N HN 0.459 nan 8.380 nan 0.000 0.447 91 L N 0.316 121.502 121.223 -0.062 0.000 2.514 91 L HA -0.051 4.290 4.340 0.002 0.000 0.280 91 L C 1.900 178.510 176.870 -0.433 0.000 1.223 91 L CA 0.272 54.914 54.840 -0.331 0.000 0.864 91 L CB 0.506 42.475 42.059 -0.151 0.000 1.118 91 L HN 0.007 nan 8.230 nan 0.000 0.494 92 T N 2.389 116.411 114.554 -0.887 0.000 3.054 92 T HA 0.154 4.505 4.350 0.002 0.000 0.259 92 T C 0.326 174.723 174.700 -0.505 0.000 1.092 92 T CA 0.469 62.179 62.100 -0.651 0.000 1.121 92 T CB -0.020 68.357 68.868 -0.819 0.000 0.912 92 T HN 0.277 nan 8.240 nan 0.000 0.489 93 F N 1.167 120.998 119.950 -0.198 0.000 2.427 93 F HA 0.481 5.009 4.527 0.002 0.000 0.348 93 F C 0.063 175.837 175.800 -0.044 0.000 1.125 93 F CA -1.082 56.879 58.000 -0.066 0.000 0.989 93 F CB 1.718 40.709 39.000 -0.014 0.000 1.165 93 F HN -0.134 nan 8.300 nan 0.000 0.442 94 L N 4.349 125.669 121.223 0.162 0.000 3.084 94 L HA 0.197 4.538 4.340 0.002 0.000 0.238 94 L C -0.364 176.534 176.870 0.046 0.000 1.327 94 L CA -0.533 54.354 54.840 0.079 0.000 1.094 94 L CB -0.896 41.195 42.059 0.053 0.000 1.477 94 L HN 0.586 nan 8.230 nan 0.000 0.514 95 N N -2.203 116.520 118.700 0.038 0.000 2.458 95 N HA 0.155 4.896 4.740 0.002 0.000 0.271 95 N C 0.664 176.077 175.510 -0.161 0.000 1.210 95 N CA -0.777 52.236 53.050 -0.063 0.000 0.978 95 N CB 0.717 39.150 38.487 -0.089 0.000 1.206 95 N HN 0.001 nan 8.380 nan 0.000 0.536 96 E N -0.118 119.930 120.200 -0.253 0.000 2.035 96 E HA -0.333 4.018 4.350 0.002 0.000 0.204 96 E C 1.863 178.165 176.600 -0.496 0.000 1.025 96 E CA 2.028 58.245 56.400 -0.306 0.000 0.835 96 E CB -0.530 28.993 29.700 -0.296 0.000 0.764 96 E HN 0.692 nan 8.360 nan 0.000 0.457 97 A N 1.199 123.414 122.820 -1.009 0.000 1.882 97 A HA -0.327 3.994 4.320 0.002 0.000 0.220 97 A C 2.406 179.453 177.584 -0.895 0.000 1.253 97 A CA 2.570 53.900 52.037 -1.178 0.000 0.664 97 A CB -1.041 17.235 19.000 -1.206 0.000 0.838 97 A HN 0.218 nan 8.150 nan 0.000 0.460 98 S N -0.454 114.904 115.700 -0.570 0.000 2.383 98 S HA -0.133 4.338 4.470 0.002 0.000 0.229 98 S C 1.744 176.332 174.600 -0.021 0.000 1.030 98 S CA 1.482 59.635 58.200 -0.079 0.000 1.002 98 S CB -0.404 62.941 63.200 0.242 0.000 0.829 98 S HN 0.485 nan 8.310 nan 0.000 0.467 99 I N 0.994 121.520 120.570 -0.073 0.000 2.439 99 I HA -0.034 4.138 4.170 0.002 0.000 0.251 99 I C 2.155 178.263 176.117 -0.016 0.000 1.139 99 I CA 0.676 61.970 61.300 -0.011 0.000 1.438 99 I CB -1.458 36.533 38.000 -0.016 0.000 1.085 99 I HN 0.277 nan 8.210 nan 0.000 0.427 100 L N 0.846 122.022 121.223 -0.079 0.000 1.994 100 L HA -0.237 4.105 4.340 0.002 0.000 0.208 100 L C 2.642 179.494 176.870 -0.030 0.000 1.071 100 L CA 2.046 56.860 54.840 -0.044 0.000 0.745 100 L CB -1.125 40.916 42.059 -0.030 0.000 0.892 100 L HN 0.250 nan 8.230 nan 0.000 0.431 101 H N -0.186 118.779 119.070 -0.174 0.000 2.274 101 H HA -0.232 4.325 4.556 0.002 0.000 0.296 101 H C 2.285 177.666 175.328 0.088 0.000 1.061 101 H CA 2.497 58.518 56.048 -0.044 0.000 1.226 101 H CB -0.434 29.339 29.762 0.017 0.000 1.370 101 H HN 0.528 nan 8.280 nan 0.000 0.507 102 N N -0.714 118.142 118.700 0.260 0.000 2.073 102 N HA -0.245 4.497 4.740 0.002 0.000 0.199 102 N C 2.020 177.582 175.510 0.087 0.000 1.023 102 N CA 1.558 54.726 53.050 0.196 0.000 0.880 102 N CB -0.178 38.421 38.487 0.188 0.000 1.052 102 N HN 0.306 nan 8.380 nan 0.000 0.449 103 L N 0.458 121.720 121.223 0.064 0.000 2.046 103 L HA -0.165 4.176 4.340 0.002 0.000 0.208 103 L C 2.730 179.635 176.870 0.058 0.000 1.077 103 L CA 0.975 55.847 54.840 0.053 0.000 0.747 103 L CB -0.387 41.687 42.059 0.023 0.000 0.896 103 L HN 0.266 nan 8.230 nan 0.000 0.432 104 R N 0.243 120.751 120.500 0.013 0.000 2.082 104 R HA -0.182 4.160 4.340 0.002 0.000 0.228 104 R C 2.477 178.804 176.300 0.044 0.000 1.140 104 R CA 2.052 58.175 56.100 0.038 0.000 0.920 104 R CB -0.424 29.870 30.300 -0.010 0.000 0.828 104 R HN 0.413 nan 8.270 nan 0.000 0.430 105 S N 0.409 116.043 115.700 -0.110 0.000 2.461 105 S HA -0.195 4.277 4.470 0.002 0.000 0.249 105 S C 1.844 176.493 174.600 0.081 0.000 1.012 105 S CA 1.451 59.613 58.200 -0.064 0.000 0.982 105 S CB -0.424 62.654 63.200 -0.202 0.000 0.764 105 S HN 0.431 nan 8.310 nan 0.000 0.506 106 R N -1.271 119.304 120.500 0.126 0.000 2.189 106 R HA 0.183 4.524 4.340 0.002 0.000 0.203 106 R C 2.024 178.526 176.300 0.336 0.000 1.012 106 R CA 0.711 56.950 56.100 0.232 0.000 1.015 106 R CB -0.261 30.140 30.300 0.168 0.000 0.938 106 R HN 0.520 nan 8.270 nan 0.000 0.472 107 Y N 1.818 122.181 120.300 0.105 0.000 2.286 107 Y HA 0.000 4.551 4.550 0.002 0.000 0.293 107 Y C 1.357 177.294 175.900 0.061 0.000 1.124 107 Y CA 1.169 59.308 58.100 0.064 0.000 1.178 107 Y CB 0.237 38.712 38.460 0.025 0.000 1.010 107 Y HN -0.069 nan 8.280 nan 0.000 0.536 108 E N -0.771 119.486 120.200 0.094 0.000 2.512 108 E HA 0.004 4.356 4.350 0.002 0.000 0.195 108 E C 0.567 177.172 176.600 0.009 0.000 1.083 108 E CA 0.472 56.872 56.400 0.000 0.000 0.873 108 E CB 0.025 29.759 29.700 0.056 0.000 0.897 108 E HN 0.172 nan 8.360 nan 0.000 0.514 109 S N -1.032 114.706 115.700 0.063 0.000 2.941 109 S HA 0.259 4.730 4.470 0.002 0.000 0.251 109 S C 0.742 175.259 174.600 -0.137 0.000 1.029 109 S CA 0.184 58.435 58.200 0.085 0.000 1.062 109 S CB 1.401 64.777 63.200 0.292 0.000 0.977 109 S HN 0.423 nan 8.310 nan 0.000 0.552 110 G N 1.390 110.070 108.800 -0.202 0.000 2.179 110 G HA2 -0.267 3.694 3.960 0.002 0.000 0.260 110 G HA3 -0.267 3.694 3.960 0.002 0.000 0.260 110 G C -0.121 174.551 174.900 -0.380 0.000 0.977 110 G CA -0.166 44.759 45.100 -0.291 0.000 0.641 110 G HN 0.484 nan 8.290 nan 0.000 0.533 111 F N 0.862 120.843 119.950 0.051 0.000 2.411 111 F HA 0.556 5.084 4.527 0.002 0.000 0.355 111 F C 1.738 177.572 175.800 0.056 0.000 1.117 111 F CA -0.604 57.431 58.000 0.058 0.000 1.139 111 F CB 0.910 39.944 39.000 0.058 0.000 1.120 111 F HN 0.124 nan 8.300 nan 0.000 0.493 112 I N -0.481 120.104 120.570 0.026 0.000 3.860 112 I HA 0.197 4.368 4.170 0.002 0.000 0.319 112 I C -0.501 175.518 176.117 -0.163 0.000 1.279 112 I CA 0.132 61.371 61.300 -0.101 0.000 1.220 112 I CB -0.282 37.473 38.000 -0.408 0.000 1.027 112 I HN 0.334 nan 8.210 nan 0.000 0.428 113 Y N 1.368 121.690 120.300 0.035 0.000 2.377 113 Y HA 0.624 5.175 4.550 0.002 0.000 0.339 113 Y C -0.242 175.602 175.900 -0.092 0.000 1.011 113 Y CA -1.017 57.034 58.100 -0.083 0.000 1.093 113 Y CB 2.075 40.424 38.460 -0.185 0.000 1.201 113 Y HN -0.096 nan 8.280 nan 0.000 0.455 114 T N 2.622 117.207 114.554 0.052 0.000 3.548 114 T HA 0.222 4.573 4.350 0.002 0.000 0.329 114 T C -1.159 173.579 174.700 0.062 0.000 0.960 114 T CA -0.973 61.139 62.100 0.019 0.000 1.041 114 T CB 0.117 69.036 68.868 0.084 0.000 1.065 114 T HN 0.373 nan 8.240 nan 0.000 0.459 115 Y N 1.305 121.686 120.300 0.135 0.000 2.336 115 Y HA 0.468 5.020 4.550 0.002 0.000 0.331 115 Y C 1.147 177.132 175.900 0.142 0.000 1.211 115 Y CA -0.272 57.911 58.100 0.139 0.000 1.346 115 Y CB 0.923 39.454 38.460 0.119 0.000 1.271 115 Y HN 0.496 nan 8.280 nan 0.000 0.538 116 S N 1.982 117.900 115.700 0.364 0.000 2.721 116 S HA 0.507 4.979 4.470 0.002 0.000 0.264 116 S C 0.158 174.883 174.600 0.209 0.000 1.161 116 S CA 0.005 58.367 58.200 0.269 0.000 1.113 116 S CB 0.013 63.389 63.200 0.293 0.000 1.079 116 S HN 1.199 nan 8.310 nan 0.000 0.479 117 G N 4.064 112.924 108.800 0.100 0.000 2.594 117 G HA2 -0.286 3.675 3.960 0.002 0.000 0.297 117 G HA3 -0.286 3.675 3.960 0.002 0.000 0.297 117 G C 0.820 175.702 174.900 -0.031 0.000 1.273 117 G CA 0.458 45.554 45.100 -0.006 0.000 0.974 117 G HN 0.756 nan 8.290 nan 0.000 0.552 118 L N 0.042 121.195 121.223 -0.116 0.000 2.079 118 L HA 0.048 4.389 4.340 0.002 0.000 0.210 118 L C 1.946 178.875 176.870 0.098 0.000 1.081 118 L CA 0.867 55.693 54.840 -0.024 0.000 0.752 118 L CB -0.559 41.501 42.059 0.002 0.000 0.896 118 L HN 0.339 nan 8.230 nan 0.000 0.433 119 F N -0.882 119.189 119.950 0.202 0.000 2.589 119 F HA -0.037 4.491 4.527 0.002 0.000 0.352 119 F C 0.714 176.685 175.800 0.285 0.000 1.168 119 F CA -0.488 57.627 58.000 0.193 0.000 1.353 119 F CB 0.345 39.377 39.000 0.053 0.000 1.116 119 F HN -0.042 nan 8.300 nan 0.000 0.608 120 C N 6.053 125.657 119.300 0.507 0.000 2.386 120 C HA 0.585 5.046 4.460 0.002 0.000 0.318 120 C C -0.121 175.013 174.990 0.239 0.000 1.128 120 C CA -0.936 58.335 59.018 0.422 0.000 1.438 120 C CB -1.574 26.371 27.740 0.342 0.000 1.987 120 C HN 0.661 nan 8.230 nan 0.000 0.426 121 I N 4.956 125.641 120.570 0.190 0.000 2.519 121 I HA 0.532 4.703 4.170 0.002 0.000 0.287 121 I C 0.650 176.869 176.117 0.169 0.000 1.047 121 I CA 0.274 61.645 61.300 0.118 0.000 1.381 121 I CB 1.213 39.259 38.000 0.078 0.000 1.417 121 I HN 0.795 nan 8.210 nan 0.000 0.540 122 A N 7.473 130.374 122.820 0.135 0.000 2.476 122 A HA 0.649 4.970 4.320 0.002 0.000 0.280 122 A C -0.681 176.874 177.584 -0.048 0.000 1.081 122 A CA -0.464 51.667 52.037 0.157 0.000 0.753 122 A CB 0.633 19.832 19.000 0.333 0.000 1.248 122 A HN 0.591 nan 8.150 nan 0.000 0.424 123 I N 1.548 122.031 120.570 -0.145 0.000 2.577 123 I HA 0.199 4.370 4.170 0.002 0.000 0.300 123 I C 0.295 176.259 176.117 -0.254 0.000 0.990 123 I CA -0.936 60.208 61.300 -0.260 0.000 1.283 123 I CB 1.120 38.828 38.000 -0.487 0.000 1.411 123 I HN 0.600 nan 8.210 nan 0.000 0.515 124 N N 6.489 124.986 118.700 -0.338 0.000 2.452 124 N HA 0.115 4.856 4.740 0.002 0.000 0.266 124 N C -1.681 173.684 175.510 -0.240 0.000 1.175 124 N CA -1.569 51.213 53.050 -0.446 0.000 0.945 124 N CB 1.199 39.152 38.487 -0.890 0.000 1.063 124 N HN 0.350 nan 8.380 nan 0.000 0.472 125 P HA -0.002 nan 4.420 nan 0.000 0.239 125 P C -0.687 176.660 177.300 0.078 0.000 1.188 125 P CA 0.298 63.429 63.100 0.053 0.000 0.794 125 P CB 0.230 31.881 31.700 -0.081 0.000 0.937 126 Y N 1.093 121.407 120.300 0.024 0.000 2.987 126 Y HA -0.284 4.267 4.550 0.002 0.000 0.177 126 Y C 0.739 176.619 175.900 -0.034 0.000 1.560 126 Y CA 0.404 58.504 58.100 -0.000 0.000 0.893 126 Y CB -1.791 36.682 38.460 0.022 0.000 1.372 126 Y HN 0.346 nan 8.280 nan 0.000 0.397 127 R N -0.600 119.935 120.500 0.058 0.000 4.562 127 R HA 0.306 4.647 4.340 0.002 0.000 0.256 127 R C -1.586 174.676 176.300 -0.064 0.000 0.950 127 R CA -1.229 54.865 56.100 -0.010 0.000 1.135 127 R CB 0.678 30.954 30.300 -0.040 0.000 1.264 127 R HN 0.208 nan 8.270 nan 0.000 0.624 128 R N 1.845 122.305 120.500 -0.066 0.000 2.594 128 R HA 0.465 4.806 4.340 0.002 0.000 0.272 128 R C -0.211 175.999 176.300 -0.150 0.000 1.074 128 R CA -0.188 55.866 56.100 -0.075 0.000 1.105 128 R CB 0.456 30.726 30.300 -0.050 0.000 1.008 128 R HN 0.433 nan 8.270 nan 0.000 0.472 129 L N 2.497 123.626 121.223 -0.156 0.000 2.376 129 L HA 0.340 4.681 4.340 0.002 0.000 0.258 129 L C -1.254 175.527 176.870 -0.148 0.000 1.013 129 L CA -1.968 52.674 54.840 -0.329 0.000 0.822 129 L CB 2.419 44.193 42.059 -0.475 0.000 1.388 129 L HN 0.462 nan 8.230 nan 0.000 0.413 130 P HA -0.149 nan 4.420 nan 0.000 0.216 130 P C 1.538 178.878 177.300 0.066 0.000 1.150 130 P CA 1.319 64.421 63.100 0.004 0.000 0.837 130 P CB 0.325 32.053 31.700 0.046 0.000 0.786 131 I N -1.697 118.852 120.570 -0.034 0.000 2.482 131 I HA -0.281 3.890 4.170 0.002 0.000 0.253 131 I C 0.652 176.618 176.117 -0.251 0.000 0.964 131 I CA 1.661 62.848 61.300 -0.189 0.000 1.343 131 I CB -1.256 36.379 38.000 -0.609 0.000 1.017 131 I HN 0.021 nan 8.210 nan 0.000 0.446 132 Y N 0.929 121.319 120.300 0.150 0.000 2.723 132 Y HA 0.339 4.890 4.550 0.002 0.000 0.374 132 Y C 0.584 176.646 175.900 0.271 0.000 1.062 132 Y CA -0.588 57.676 58.100 0.273 0.000 1.321 132 Y CB 0.026 38.610 38.460 0.208 0.000 1.405 132 Y HN -0.117 nan 8.280 nan 0.000 0.583 133 T N -0.265 114.498 114.554 0.348 0.000 2.934 133 T HA 0.142 4.493 4.350 0.002 0.000 0.283 133 T C 1.021 175.838 174.700 0.196 0.000 1.005 133 T CA -0.701 61.538 62.100 0.232 0.000 1.041 133 T CB 1.605 70.579 68.868 0.175 0.000 1.042 133 T HN 0.460 nan 8.240 nan 0.000 0.505 134 Q N 0.516 120.378 119.800 0.105 0.000 2.451 134 Q HA 0.085 4.426 4.340 0.002 0.000 0.206 134 Q C 2.135 178.152 176.000 0.029 0.000 0.947 134 Q CA 0.261 56.080 55.803 0.027 0.000 0.937 134 Q CB 0.051 28.787 28.738 -0.003 0.000 1.025 134 Q HN 0.920 nan 8.270 nan 0.000 0.511 135 G N 0.445 109.286 108.800 0.068 0.000 2.411 135 G HA2 -0.105 3.856 3.960 0.002 0.000 0.213 135 G HA3 -0.105 3.856 3.960 0.002 0.000 0.213 135 G C 1.360 176.314 174.900 0.089 0.000 1.166 135 G CA 0.004 45.141 45.100 0.061 0.000 0.802 135 G HN 0.137 nan 8.290 nan 0.000 0.533 136 L N 0.392 121.707 121.223 0.153 0.000 2.027 136 L HA -0.068 4.274 4.340 0.002 0.000 0.206 136 L C 2.957 179.987 176.870 0.267 0.000 1.074 136 L CA 0.441 55.423 54.840 0.238 0.000 0.745 136 L CB -0.642 41.613 42.059 0.327 0.000 0.898 136 L HN 0.042 nan 8.230 nan 0.000 0.433 137 V N 0.385 120.407 119.914 0.180 0.000 2.311 137 V HA -0.403 3.719 4.120 0.002 0.000 0.256 137 V C 2.047 178.171 176.094 0.049 0.000 1.077 137 V CA 2.268 64.567 62.300 -0.001 0.000 1.067 137 V CB -0.526 31.149 31.823 -0.248 0.000 0.659 137 V HN 0.507 nan 8.190 nan 0.000 0.451 138 D N -0.992 119.426 120.400 0.030 0.000 2.277 138 D HA -0.080 4.562 4.640 0.002 0.000 0.208 138 D C 2.180 178.490 176.300 0.017 0.000 0.962 138 D CA 0.723 54.733 54.000 0.015 0.000 0.865 138 D CB -0.147 40.651 40.800 -0.004 0.000 0.939 138 D HN 0.440 nan 8.370 nan 0.000 0.510 139 K N -0.567 119.847 120.400 0.023 0.000 2.365 139 K HA -0.074 4.247 4.320 0.002 0.000 0.199 139 K C 1.192 177.634 176.600 -0.263 0.000 1.045 139 K CA 0.630 56.858 56.287 -0.099 0.000 0.962 139 K CB 0.182 32.627 32.500 -0.092 0.000 0.759 139 K HN 0.231 nan 8.250 nan 0.000 0.469 140 Y N -0.216 120.113 120.300 0.048 0.000 2.535 140 Y HA 0.109 4.660 4.550 0.002 0.000 0.266 140 Y C 0.572 176.525 175.900 0.088 0.000 1.088 140 Y CA -0.566 57.577 58.100 0.071 0.000 1.285 140 Y CB 0.484 39.002 38.460 0.097 0.000 1.166 140 Y HN -0.196 nan 8.280 nan 0.000 0.525 141 R N 1.196 121.815 120.500 0.197 0.000 2.486 141 R HA 0.138 4.479 4.340 0.002 0.000 0.303 141 R C 1.165 177.528 176.300 0.104 0.000 0.958 141 R CA 0.900 57.093 56.100 0.156 0.000 1.077 141 R CB -0.472 29.867 30.300 0.065 0.000 0.921 141 R HN 0.545 nan 8.270 nan 0.000 0.406 142 G N 3.096 111.969 108.800 0.122 0.000 2.189 142 G HA2 -0.343 3.618 3.960 0.002 0.000 0.267 142 G HA3 -0.343 3.618 3.960 0.002 0.000 0.267 142 G C -0.239 174.679 174.900 0.030 0.000 0.975 142 G CA 0.725 45.862 45.100 0.062 0.000 0.644 142 G HN 0.576 nan 8.290 nan 0.000 0.537 143 K N 0.733 121.163 120.400 0.049 0.000 2.174 143 K HA 0.417 4.738 4.320 0.002 0.000 0.275 143 K C 0.878 177.498 176.600 0.034 0.000 1.015 143 K CA -0.696 55.606 56.287 0.024 0.000 0.933 143 K CB 0.999 33.499 32.500 0.001 0.000 1.025 143 K HN 0.498 nan 8.250 nan 0.000 0.463 144 R N 2.501 123.006 120.500 0.007 0.000 2.357 144 R HA 0.180 4.521 4.340 0.002 0.000 0.296 144 R C 0.682 177.005 176.300 0.038 0.000 1.052 144 R CA -0.322 55.780 56.100 0.003 0.000 0.988 144 R CB 0.776 31.063 30.300 -0.022 0.000 1.025 144 R HN 0.683 nan 8.270 nan 0.000 0.469 145 R N 2.077 122.607 120.500 0.050 0.000 2.246 145 R HA -0.308 4.033 4.340 0.002 0.000 0.266 145 R C 1.799 178.148 176.300 0.082 0.000 1.163 145 R CA 2.753 58.892 56.100 0.067 0.000 0.992 145 R CB -0.507 29.771 30.300 -0.038 0.000 0.895 145 R HN 0.872 nan 8.270 nan 0.000 0.465 146 A N 0.085 122.931 122.820 0.044 0.000 2.014 146 A HA -0.124 4.197 4.320 0.002 0.000 0.218 146 A C 1.752 179.373 177.584 0.062 0.000 1.163 146 A CA 1.150 53.220 52.037 0.055 0.000 0.652 146 A CB -0.235 18.779 19.000 0.023 0.000 0.808 146 A HN 0.437 nan 8.150 nan 0.000 0.449 147 E N -1.022 119.202 120.200 0.040 0.000 2.160 147 E HA -0.117 4.235 4.350 0.002 0.000 0.195 147 E C 0.437 177.039 176.600 0.004 0.000 0.991 147 E CA 0.667 57.074 56.400 0.011 0.000 0.810 147 E CB -0.067 29.623 29.700 -0.015 0.000 0.742 147 E HN 0.517 nan 8.360 nan 0.000 0.466 148 M N -0.780 118.848 119.600 0.047 0.000 2.796 148 M HA 0.417 4.898 4.480 0.002 0.000 0.303 148 M C -2.469 173.965 176.300 0.223 0.000 1.240 148 M CA -2.263 53.062 55.300 0.042 0.000 0.831 148 M CB 1.111 33.603 32.600 -0.179 0.000 1.750 148 M HN -0.329 nan 8.290 nan 0.000 0.484 149 P HA 0.409 nan 4.420 nan 0.000 0.281 149 P C -2.581 174.931 177.300 0.352 0.000 1.281 149 P CA -1.271 62.007 63.100 0.297 0.000 0.811 149 P CB -0.450 31.406 31.700 0.261 0.000 1.154 150 P HA 0.031 nan 4.420 nan 0.000 0.262 150 P C -0.629 176.538 177.300 -0.222 0.000 1.182 150 P CA 1.279 64.162 63.100 -0.362 0.000 0.761 150 P CB 0.067 31.338 31.700 -0.714 0.000 0.795 151 H N 2.298 121.053 119.070 -0.525 0.000 3.140 151 H HA 0.077 4.635 4.556 0.002 0.000 0.336 151 H C 0.180 175.020 175.328 -0.813 0.000 1.142 151 H CA -0.603 54.939 56.048 -0.844 0.000 1.308 151 H CB 1.159 30.478 29.762 -0.738 0.000 1.970 151 H HN 0.180 nan 8.280 nan 0.000 0.521 152 L N 4.144 124.848 121.223 -0.864 0.000 2.129 152 L HA -0.089 4.252 4.340 0.002 0.000 0.212 152 L C 1.733 178.546 176.870 -0.095 0.000 1.087 152 L CA 1.779 56.396 54.840 -0.371 0.000 0.757 152 L CB -0.797 41.108 42.059 -0.255 0.000 0.896 152 L HN 0.656 nan 8.230 nan 0.000 0.434 153 F N -0.724 119.168 119.950 -0.095 0.000 2.216 153 F HA -0.275 4.253 4.527 0.002 0.000 0.300 153 F C 2.683 178.216 175.800 -0.446 0.000 1.085 153 F CA 0.685 58.386 58.000 -0.499 0.000 1.326 153 F CB -0.497 38.099 39.000 -0.673 0.000 1.027 153 F HN 0.345 nan 8.300 nan 0.000 0.497 154 S N 0.897 116.543 115.700 -0.090 0.000 2.370 154 S HA -0.218 4.253 4.470 0.002 0.000 0.226 154 S C 1.684 176.324 174.600 0.067 0.000 1.033 154 S CA 1.200 59.461 58.200 0.102 0.000 1.011 154 S CB -1.036 62.327 63.200 0.272 0.000 0.852 154 S HN 0.440 nan 8.310 nan 0.000 0.457 155 I N 1.644 122.248 120.570 0.056 0.000 3.001 155 I HA -0.009 4.162 4.170 0.002 0.000 0.268 155 I C 2.670 178.764 176.117 -0.039 0.000 1.267 155 I CA 0.853 62.188 61.300 0.058 0.000 1.472 155 I CB -0.467 37.602 38.000 0.116 0.000 1.089 155 I HN 0.457 nan 8.210 nan 0.000 0.468 156 A N -0.019 122.742 122.820 -0.098 0.000 1.956 156 A HA -0.134 4.187 4.320 0.002 0.000 0.212 156 A C 2.144 179.770 177.584 0.069 0.000 1.188 156 A CA 0.739 52.762 52.037 -0.023 0.000 0.675 156 A CB -0.331 18.450 19.000 -0.365 0.000 0.845 156 A HN 0.331 nan 8.150 nan 0.000 0.455 157 D N 0.321 120.658 120.400 -0.104 0.000 2.144 157 D HA -0.170 4.471 4.640 0.002 0.000 0.199 157 D C 1.246 177.610 176.300 0.105 0.000 0.984 157 D CA 1.240 55.315 54.000 0.125 0.000 0.834 157 D CB -0.081 40.813 40.800 0.157 0.000 0.955 157 D HN 0.312 nan 8.370 nan 0.000 0.465 158 N N 0.717 119.432 118.700 0.025 0.000 2.142 158 N HA -0.102 4.639 4.740 0.002 0.000 0.186 158 N C 1.889 177.395 175.510 -0.007 0.000 1.023 158 N CA 1.181 54.213 53.050 -0.030 0.000 0.852 158 N CB -0.511 38.011 38.487 0.059 0.000 0.998 158 N HN 0.193 nan 8.380 nan 0.000 0.424 159 A N 0.325 123.064 122.820 -0.137 0.000 1.978 159 A HA -0.200 4.122 4.320 0.002 0.000 0.220 159 A C 2.124 179.618 177.584 -0.150 0.000 1.170 159 A CA 1.106 52.919 52.037 -0.373 0.000 0.636 159 A CB -0.804 17.865 19.000 -0.553 0.000 0.810 159 A HN 0.383 nan 8.150 nan 0.000 0.448 160 Y N 0.494 120.667 120.300 -0.212 0.000 2.184 160 Y HA -0.152 4.399 4.550 0.002 0.000 0.290 160 Y C 2.516 178.271 175.900 -0.242 0.000 1.129 160 Y CA 1.925 59.848 58.100 -0.296 0.000 1.144 160 Y CB -0.559 37.822 38.460 -0.132 0.000 0.995 160 Y HN 0.464 nan 8.280 nan 0.000 0.513 161 Q N -1.331 118.310 119.800 -0.266 0.000 2.084 161 Q HA -0.247 4.095 4.340 0.002 0.000 0.202 161 Q C 2.127 177.928 176.000 -0.332 0.000 0.978 161 Q CA 2.100 57.686 55.803 -0.362 0.000 0.844 161 Q CB -0.596 27.962 28.738 -0.300 0.000 0.898 161 Q HN 0.600 nan 8.270 nan 0.000 0.426 162 Y N 0.655 120.838 120.300 -0.194 0.000 2.165 162 Y HA -0.287 4.265 4.550 0.002 0.000 0.286 162 Y C 2.544 178.297 175.900 -0.245 0.000 1.155 162 Y CA 1.257 59.269 58.100 -0.146 0.000 1.164 162 Y CB -0.184 38.224 38.460 -0.087 0.000 0.978 162 Y HN 0.174 nan 8.280 nan 0.000 0.513 163 M N -0.352 119.133 119.600 -0.192 0.000 2.195 163 M HA -0.262 4.219 4.480 0.002 0.000 0.260 163 M C 1.512 177.517 176.300 -0.491 0.000 1.066 163 M CA 1.744 56.811 55.300 -0.389 0.000 1.089 163 M CB -0.155 32.167 32.600 -0.464 0.000 1.377 163 M HN 0.341 nan 8.290 nan 0.000 0.411 164 L N -1.128 119.836 121.223 -0.431 0.000 2.221 164 L HA -0.079 4.262 4.340 0.002 0.000 0.202 164 L C 2.401 179.136 176.870 -0.225 0.000 1.074 164 L CA 0.690 55.321 54.840 -0.348 0.000 0.795 164 L CB -0.599 41.233 42.059 -0.378 0.000 0.960 164 L HN 0.332 nan 8.230 nan 0.000 0.458 165 Q N 0.039 119.731 119.800 -0.179 0.000 2.119 165 Q HA -0.164 4.178 4.340 0.002 0.000 0.201 165 Q C 0.630 176.594 176.000 -0.059 0.000 0.972 165 Q CA 1.274 57.018 55.803 -0.098 0.000 0.847 165 Q CB 0.211 28.903 28.738 -0.076 0.000 0.903 165 Q HN 0.494 nan 8.270 nan 0.000 0.433 166 D N -0.701 119.665 120.400 -0.056 0.000 2.469 166 D HA 0.097 4.738 4.640 0.002 0.000 0.215 166 D C -0.401 175.803 176.300 -0.159 0.000 1.154 166 D CA -0.069 53.898 54.000 -0.056 0.000 0.832 166 D CB 0.489 41.304 40.800 0.024 0.000 1.008 166 D HN 0.100 nan 8.370 nan 0.000 0.506 167 R N 1.167 121.479 120.500 -0.312 0.000 3.405 167 R HA -0.190 4.152 4.340 0.002 0.000 0.258 167 R C -0.361 175.587 176.300 -0.587 0.000 1.030 167 R CA 0.769 56.501 56.100 -0.613 0.000 0.691 167 R CB -2.173 27.969 30.300 -0.262 0.000 1.093 167 R HN 0.396 nan 8.270 nan 0.000 0.448 168 E N 0.644 120.568 120.200 -0.459 0.000 2.227 168 E HA 0.279 4.631 4.350 0.002 0.000 0.268 168 E C -0.209 176.203 176.600 -0.313 0.000 0.907 168 E CA -1.054 55.181 56.400 -0.274 0.000 0.786 168 E CB 1.161 30.797 29.700 -0.106 0.000 1.191 168 E HN 0.084 nan 8.360 nan 0.000 0.411 169 N N 2.509 121.032 118.700 -0.295 0.000 2.492 169 N HA 0.034 4.775 4.740 0.002 0.000 0.260 169 N C -0.459 174.871 175.510 -0.300 0.000 1.215 169 N CA 0.307 53.039 53.050 -0.530 0.000 0.923 169 N CB 0.719 38.566 38.487 -1.066 0.000 1.092 169 N HN 0.358 nan 8.380 nan 0.000 0.448 170 Q N 0.164 119.826 119.800 -0.231 0.000 2.399 170 Q HA 0.523 4.864 4.340 0.002 0.000 0.276 170 Q C -0.498 175.585 176.000 0.139 0.000 1.098 170 Q CA -0.745 55.050 55.803 -0.013 0.000 0.827 170 Q CB 2.093 30.801 28.738 -0.051 0.000 1.386 170 Q HN 0.713 nan 8.270 nan 0.000 0.443 171 S N 0.241 116.087 115.700 0.243 0.000 2.549 171 S HA 0.777 5.248 4.470 0.002 0.000 0.280 171 S C -0.483 174.270 174.600 0.255 0.000 1.109 171 S CA -0.842 57.568 58.200 0.350 0.000 0.905 171 S CB 1.482 64.922 63.200 0.399 0.000 1.081 171 S HN 0.525 nan 8.310 nan 0.000 0.477 172 M N 2.897 122.654 119.600 0.263 0.000 2.142 172 M HA 0.388 4.869 4.480 0.002 0.000 0.299 172 M C -1.514 174.864 176.300 0.131 0.000 0.960 172 M CA -0.391 55.008 55.300 0.164 0.000 0.920 172 M CB 1.650 34.369 32.600 0.199 0.000 1.541 172 M HN 0.555 nan 8.290 nan 0.000 0.429 173 L N 5.694 126.910 121.223 -0.012 0.000 2.255 173 L HA 0.591 4.932 4.340 0.002 0.000 0.289 173 L C -0.606 176.322 176.870 0.097 0.000 1.046 173 L CA -0.417 54.437 54.840 0.024 0.000 0.816 173 L CB 0.507 42.552 42.059 -0.023 0.000 1.197 173 L HN 0.651 nan 8.230 nan 0.000 0.427 174 I N 2.443 123.074 120.570 0.102 0.000 2.493 174 I HA 0.526 4.697 4.170 0.002 0.000 0.298 174 I C 0.526 176.685 176.117 0.070 0.000 0.998 174 I CA -0.375 60.984 61.300 0.098 0.000 1.137 174 I CB 2.174 40.228 38.000 0.091 0.000 1.310 174 I HN 0.581 nan 8.210 nan 0.000 0.445 175 T N 0.931 115.517 114.554 0.053 0.000 2.807 175 T HA 0.916 5.267 4.350 0.002 0.000 0.277 175 T C -0.040 174.670 174.700 0.016 0.000 1.006 175 T CA -0.700 61.418 62.100 0.029 0.000 1.006 175 T CB 1.832 70.707 68.868 0.012 0.000 1.274 175 T HN 1.287 nan 8.240 nan 0.000 0.569 176 G N 0.635 109.443 108.800 0.013 0.000 3.226 176 G HA2 0.240 4.201 3.960 0.002 0.000 0.685 176 G HA3 0.240 4.201 3.960 0.002 0.000 0.685 176 G C -0.785 174.129 174.900 0.024 0.000 1.207 176 G CA -0.763 44.343 45.100 0.011 0.000 0.877 176 G HN 0.764 nan 8.290 nan 0.000 0.585 177 E N 1.183 121.405 120.200 0.037 0.000 3.601 177 E HA 0.627 4.978 4.350 0.002 0.000 0.273 177 E C 2.242 178.870 176.600 0.048 0.000 1.368 177 E CA 0.158 56.587 56.400 0.048 0.000 1.286 177 E CB -0.204 29.538 29.700 0.069 0.000 1.383 177 E HN 1.383 nan 8.360 nan 0.000 0.746 178 S N 0.184 115.919 115.700 0.058 0.000 1.931 178 S HA -0.279 4.192 4.470 0.002 0.000 0.521 178 S C 1.218 175.861 174.600 0.072 0.000 0.931 178 S CA 1.620 59.859 58.200 0.065 0.000 3.252 178 S CB -1.591 61.649 63.200 0.067 0.000 2.277 178 S HN 0.669 nan 8.310 nan 0.000 0.559 179 G N 0.149 109.009 108.800 0.101 0.000 2.857 179 G HA2 0.680 4.642 3.960 0.002 0.000 0.326 179 G HA3 0.680 4.642 3.960 0.002 0.000 0.326 179 G C 0.229 175.145 174.900 0.026 0.000 0.950 179 G CA 0.116 45.299 45.100 0.139 0.000 1.400 179 G HN 1.161 nan 8.290 nan 0.000 0.473 180 A N 0.990 123.794 122.820 -0.027 0.000 2.425 180 A HA 0.563 4.884 4.320 0.002 0.000 0.201 180 A C 1.674 179.204 177.584 -0.090 0.000 1.431 180 A CA 0.964 52.952 52.037 -0.082 0.000 1.066 180 A CB 0.018 18.996 19.000 -0.037 0.000 1.318 180 A HN 1.950 nan 8.150 nan 0.000 0.534 181 G N 0.682 109.448 108.800 -0.056 0.000 2.159 181 G HA2 -0.347 3.614 3.960 0.002 0.000 0.256 181 G HA3 -0.347 3.614 3.960 0.002 0.000 0.256 181 G C 0.905 175.796 174.900 -0.015 0.000 0.977 181 G CA 1.234 46.306 45.100 -0.047 0.000 0.652 181 G HN 0.724 nan 8.290 nan 0.000 0.531 182 K N 0.134 120.533 120.400 -0.002 0.000 2.228 182 K HA -0.142 4.179 4.320 0.002 0.000 0.205 182 K C 2.405 179.017 176.600 0.020 0.000 1.045 182 K CA 2.555 58.852 56.287 0.017 0.000 0.931 182 K CB -0.324 32.188 32.500 0.021 0.000 0.727 182 K HN 0.466 nan 8.250 nan 0.000 0.458 183 T N 1.040 115.601 114.554 0.012 0.000 2.612 183 T HA -0.174 4.177 4.350 0.002 0.000 0.251 183 T C 1.503 176.201 174.700 -0.004 0.000 1.090 183 T CA 1.500 63.608 62.100 0.012 0.000 1.198 183 T CB -0.449 68.427 68.868 0.013 0.000 0.878 183 T HN 0.604 nan 8.240 nan 0.000 0.401 184 E N 1.953 122.136 120.200 -0.028 0.000 2.086 184 E HA -0.313 4.038 4.350 0.002 0.000 0.205 184 E C 2.044 178.615 176.600 -0.048 0.000 1.027 184 E CA 1.684 58.043 56.400 -0.067 0.000 0.830 184 E CB -0.561 29.070 29.700 -0.115 0.000 0.751 184 E HN 0.319 nan 8.360 nan 0.000 0.456 185 N N 0.495 119.188 118.700 -0.012 0.000 2.036 185 N HA -0.168 4.573 4.740 0.002 0.000 0.199 185 N C 2.006 177.537 175.510 0.034 0.000 1.036 185 N CA 2.580 55.648 53.050 0.031 0.000 0.870 185 N CB -0.648 37.868 38.487 0.049 0.000 1.055 185 N HN 0.373 nan 8.380 nan 0.000 0.436 186 T N 1.578 116.153 114.554 0.035 0.000 2.720 186 T HA -0.154 4.197 4.350 0.002 0.000 0.268 186 T C 1.919 176.637 174.700 0.029 0.000 1.037 186 T CA 1.212 63.340 62.100 0.046 0.000 1.144 186 T CB -0.069 68.835 68.868 0.059 0.000 0.864 186 T HN 0.350 nan 8.240 nan 0.000 0.444 187 K N 1.216 121.623 120.400 0.013 0.000 1.978 187 K HA -0.174 4.147 4.320 0.002 0.000 0.214 187 K C 2.259 178.863 176.600 0.006 0.000 1.049 187 K CA 1.624 57.911 56.287 0.001 0.000 0.939 187 K CB -0.137 32.348 32.500 -0.024 0.000 0.721 187 K HN 0.126 nan 8.250 nan 0.000 0.441 188 K N 0.081 120.484 120.400 0.005 0.000 2.286 188 K HA -0.130 4.191 4.320 0.002 0.000 0.203 188 K C 1.801 178.491 176.600 0.149 0.000 1.045 188 K CA 1.242 57.585 56.287 0.094 0.000 0.935 188 K CB 0.049 32.607 32.500 0.097 0.000 0.737 188 K HN 0.048 nan 8.250 nan 0.000 0.460 189 V N 0.422 120.343 119.914 0.012 0.000 2.535 189 V HA -0.129 3.993 4.120 0.002 0.000 0.246 189 V C 1.866 177.726 176.094 -0.390 0.000 1.045 189 V CA 1.227 63.396 62.300 -0.218 0.000 1.058 189 V CB -0.209 31.492 31.823 -0.202 0.000 0.689 189 V HN 0.217 nan 8.190 nan 0.000 0.461 190 I N -0.212 120.296 120.570 -0.103 0.000 2.315 190 I HA -0.230 3.941 4.170 0.002 0.000 0.248 190 I C 2.619 178.745 176.117 0.014 0.000 1.117 190 I CA 1.284 62.595 61.300 0.017 0.000 1.404 190 I CB -0.327 37.713 38.000 0.067 0.000 1.071 190 I HN 0.349 nan 8.210 nan 0.000 0.419 191 Q N -0.203 119.600 119.800 0.006 0.000 1.975 191 Q HA -0.291 4.050 4.340 0.002 0.000 0.205 191 Q C 2.302 178.301 176.000 -0.002 0.000 0.990 191 Q CA 2.288 58.103 55.803 0.019 0.000 0.845 191 Q CB -0.671 28.101 28.738 0.055 0.000 0.913 191 Q HN 0.478 nan 8.270 nan 0.000 0.420 192 Y N 0.894 121.099 120.300 -0.159 0.000 2.102 192 Y HA -0.282 4.269 4.550 0.002 0.000 0.280 192 Y C 1.918 177.719 175.900 -0.164 0.000 1.178 192 Y CA 1.480 59.415 58.100 -0.274 0.000 1.146 192 Y CB -0.422 37.796 38.460 -0.403 0.000 0.968 192 Y HN 0.053 nan 8.280 nan 0.000 0.504 193 F N -0.352 119.744 119.950 0.243 0.000 2.307 193 F HA -0.170 4.358 4.527 0.002 0.000 0.301 193 F C 2.487 178.304 175.800 0.028 0.000 1.076 193 F CA 0.721 58.823 58.000 0.171 0.000 1.383 193 F CB -1.530 37.661 39.000 0.318 0.000 1.055 193 F HN 0.185 nan 8.300 nan 0.000 0.526 194 A N 0.304 123.198 122.820 0.123 0.000 1.840 194 A HA -0.061 4.261 4.320 0.002 0.000 0.214 194 A C 2.314 179.857 177.584 -0.067 0.000 1.198 194 A CA 0.982 53.026 52.037 0.012 0.000 0.608 194 A CB -1.029 17.965 19.000 -0.011 0.000 0.839 194 A HN 0.292 nan 8.150 nan 0.000 0.443 195 L N 0.533 121.657 121.223 -0.164 0.000 2.081 195 L HA -0.197 4.144 4.340 0.002 0.000 0.212 195 L C 2.471 179.204 176.870 -0.228 0.000 1.080 195 L CA 1.778 56.480 54.840 -0.229 0.000 0.754 195 L CB -0.834 41.004 42.059 -0.368 0.000 0.893 195 L HN 0.488 nan 8.230 nan 0.000 0.433 196 V N -3.233 116.511 119.914 -0.283 0.000 3.444 196 V HA 0.038 4.159 4.120 0.002 0.000 0.271 196 V C 2.152 178.209 176.094 -0.061 0.000 1.188 196 V CA 1.167 63.341 62.300 -0.209 0.000 1.168 196 V CB -0.862 30.776 31.823 -0.309 0.000 0.810 196 V HN 0.306 nan 8.190 nan 0.000 0.500 197 A N 0.026 122.837 122.820 -0.014 0.000 2.208 197 A HA 0.596 4.918 4.320 0.002 0.000 0.209 197 A C 2.169 179.783 177.584 0.049 0.000 1.161 197 A CA 1.019 53.101 52.037 0.075 0.000 0.782 197 A CB -0.294 18.747 19.000 0.069 0.000 0.816 197 A HN 0.934 nan 8.150 nan 0.000 0.477 198 A N -0.992 121.831 122.820 0.005 0.000 2.267 198 A HA 0.261 4.582 4.320 0.002 0.000 0.213 198 A C 1.824 179.414 177.584 0.010 0.000 1.192 198 A CA 0.822 52.861 52.037 0.002 0.000 0.851 198 A CB -0.373 18.613 19.000 -0.023 0.000 0.881 198 A HN 0.293 nan 8.150 nan 0.000 0.494 199 S N 0.263 115.975 115.700 0.019 0.000 2.559 199 S HA -0.041 4.430 4.470 0.002 0.000 0.250 199 S C 0.563 175.198 174.600 0.059 0.000 0.977 199 S CA 0.650 58.874 58.200 0.040 0.000 0.958 199 S CB -0.500 62.746 63.200 0.076 0.000 0.751 199 S HN 0.518 nan 8.310 nan 0.000 0.534 200 L N 1.505 122.763 121.223 0.058 0.000 2.417 200 L HA 0.401 4.742 4.340 0.002 0.000 0.258 200 L C 0.871 177.761 176.870 0.032 0.000 1.088 200 L CA -0.711 54.160 54.840 0.052 0.000 0.975 200 L CB -0.036 42.061 42.059 0.064 0.000 1.341 200 L HN 0.113 nan 8.230 nan 0.000 0.431 201 A N 2.119 124.953 122.820 0.024 0.000 2.248 201 A HA -0.036 4.285 4.320 0.002 0.000 0.293 201 A C 0.984 178.575 177.584 0.012 0.000 1.356 201 A CA 1.181 53.227 52.037 0.014 0.000 0.918 201 A CB -1.394 17.612 19.000 0.011 0.000 0.994 201 A HN 0.857 nan 8.150 nan 0.000 0.363 218 G N 1.388 110.172 108.800 -0.026 0.000 2.801 218 G HA2 -0.079 3.882 3.960 0.002 0.000 0.648 218 G HA3 -0.079 3.882 3.960 0.002 0.000 0.648 218 G C -0.573 174.312 174.900 -0.024 0.000 1.415 218 G CA -0.618 44.466 45.100 -0.026 0.000 0.887 218 G HN -0.083 nan 8.290 nan 0.000 0.627 219 T N 2.834 117.375 114.554 -0.021 0.000 2.874 219 T HA 0.434 4.785 4.350 0.002 0.000 0.281 219 T C 1.829 176.518 174.700 -0.020 0.000 0.994 219 T CA -0.008 62.080 62.100 -0.020 0.000 1.015 219 T CB 1.671 70.529 68.868 -0.017 0.000 1.028 219 T HN 0.821 nan 8.240 nan 0.000 0.523 220 L N 1.520 122.731 121.223 -0.019 0.000 1.970 220 L HA -0.109 4.232 4.340 0.002 0.000 0.212 220 L C 2.334 179.200 176.870 -0.007 0.000 1.071 220 L CA 1.990 56.821 54.840 -0.016 0.000 0.751 220 L CB -0.970 41.080 42.059 -0.015 0.000 0.889 220 L HN 0.734 nan 8.230 nan 0.000 0.432 221 E N -0.291 119.907 120.200 -0.002 0.000 2.114 221 E HA -0.258 4.093 4.350 0.002 0.000 0.199 221 E C 1.888 178.486 176.600 -0.005 0.000 1.008 221 E CA 1.821 58.221 56.400 0.001 0.000 0.810 221 E CB -0.335 29.364 29.700 -0.002 0.000 0.739 221 E HN 0.577 nan 8.360 nan 0.000 0.456 222 D N 0.147 120.540 120.400 -0.011 0.000 2.162 222 D HA -0.092 4.549 4.640 0.002 0.000 0.203 222 D C 1.869 178.158 176.300 -0.018 0.000 0.967 222 D CA 0.749 54.741 54.000 -0.014 0.000 0.840 222 D CB -0.206 40.584 40.800 -0.016 0.000 0.972 222 D HN 0.262 nan 8.370 nan 0.000 0.482 223 Q N -0.007 119.780 119.800 -0.021 0.000 2.291 223 Q HA -0.044 4.297 4.340 0.002 0.000 0.206 223 Q C 2.059 178.043 176.000 -0.026 0.000 0.976 223 Q CA 0.657 56.444 55.803 -0.028 0.000 0.875 223 Q CB 0.213 28.933 28.738 -0.031 0.000 0.927 223 Q HN 0.348 nan 8.270 nan 0.000 0.450 224 I N -1.111 119.450 120.570 -0.016 0.000 2.731 224 I HA -0.132 4.039 4.170 0.002 0.000 0.260 224 I C 1.766 177.881 176.117 -0.003 0.000 1.138 224 I CA 0.258 61.553 61.300 -0.009 0.000 1.461 224 I CB 0.378 38.379 38.000 0.003 0.000 1.128 224 I HN -0.044 nan 8.210 nan 0.000 0.438 225 V N 0.427 120.340 119.914 -0.002 0.000 2.759 225 V HA -0.242 3.879 4.120 0.002 0.000 0.256 225 V C 2.279 178.369 176.094 -0.006 0.000 1.080 225 V CA 1.462 63.763 62.300 0.002 0.000 1.101 225 V CB -0.606 31.217 31.823 -0.000 0.000 0.698 225 V HN 0.447 nan 8.190 nan 0.000 0.477 226 Q N -0.720 119.071 119.800 -0.016 0.000 2.135 226 Q HA -0.234 4.107 4.340 0.002 0.000 0.204 226 Q C 2.380 178.359 176.000 -0.035 0.000 0.981 226 Q CA 2.263 58.051 55.803 -0.025 0.000 0.856 226 Q CB -0.284 28.434 28.738 -0.034 0.000 0.902 226 Q HN 0.769 nan 8.270 nan 0.000 0.425 227 C N 0.456 119.731 119.300 -0.041 0.000 2.457 227 C HA 0.012 4.474 4.460 0.002 0.000 0.278 227 C C 1.957 176.917 174.990 -0.051 0.000 1.309 227 C CA -0.069 58.909 59.018 -0.067 0.000 1.735 227 C CB -1.177 26.519 27.740 -0.072 0.000 1.992 227 C HN 0.501 nan 8.230 nan 0.000 0.493 228 N N 1.941 120.639 118.700 -0.003 0.000 2.405 228 N HA -0.106 4.635 4.740 0.002 0.000 0.189 228 N C -0.992 174.541 175.510 0.038 0.000 1.021 228 N CA 1.496 54.571 53.050 0.041 0.000 0.891 228 N CB -1.230 37.290 38.487 0.056 0.000 0.955 228 N HN 0.465 nan 8.380 nan 0.000 0.443 229 P HA 0.018 nan 4.420 nan 0.000 0.216 229 P C 1.757 179.040 177.300 -0.028 0.000 1.156 229 P CA 0.395 63.495 63.100 -0.000 0.000 0.855 229 P CB 0.267 31.959 31.700 -0.014 0.000 0.786 230 V N -0.064 119.773 119.914 -0.129 0.000 2.295 230 V HA -0.229 3.892 4.120 0.002 0.000 0.246 230 V C 2.418 178.440 176.094 -0.120 0.000 1.049 230 V CA 1.715 63.871 62.300 -0.240 0.000 1.024 230 V CB -1.239 30.260 31.823 -0.541 0.000 0.648 230 V HN 0.062 nan 8.190 nan 0.000 0.447 231 L N -0.545 120.600 121.223 -0.129 0.000 2.131 231 L HA -0.206 4.135 4.340 0.002 0.000 0.210 231 L C 2.540 179.511 176.870 0.170 0.000 1.092 231 L CA 1.621 56.391 54.840 -0.117 0.000 0.759 231 L CB -0.581 41.446 42.059 -0.055 0.000 0.903 231 L HN 0.425 nan 8.230 nan 0.000 0.435 232 E N -0.035 120.289 120.200 0.206 0.000 2.106 232 E HA -0.183 4.168 4.350 0.002 0.000 0.192 232 E C 2.292 179.086 176.600 0.322 0.000 0.984 232 E CA 0.996 57.582 56.400 0.311 0.000 0.806 232 E CB -0.052 29.791 29.700 0.239 0.000 0.750 232 E HN 0.492 nan 8.360 nan 0.000 0.458 233 A N 0.280 123.220 122.820 0.199 0.000 1.930 233 A HA -0.165 4.157 4.320 0.002 0.000 0.217 233 A C 1.577 179.204 177.584 0.072 0.000 1.175 233 A CA 1.203 53.312 52.037 0.121 0.000 0.627 233 A CB -0.502 18.466 19.000 -0.053 0.000 0.815 233 A HN 0.274 nan 8.150 nan 0.000 0.443 234 Y N -1.104 119.252 120.300 0.094 0.000 2.510 234 Y HA 0.240 4.791 4.550 0.002 0.000 0.273 234 Y C 2.345 178.254 175.900 0.015 0.000 1.119 234 Y CA 0.607 58.760 58.100 0.088 0.000 1.286 234 Y CB 0.195 38.637 38.460 -0.030 0.000 1.061 234 Y HN 0.348 nan 8.280 nan 0.000 0.542 235 G N -1.387 107.678 108.800 0.443 0.000 3.079 235 G HA2 0.080 4.041 3.960 0.002 0.000 0.233 235 G HA3 0.080 4.041 3.960 0.002 0.000 0.233 235 G C 0.012 175.394 174.900 0.802 0.000 1.062 235 G CA -0.118 45.314 45.100 0.553 0.000 0.809 235 G HN 0.078 nan 8.290 nan 0.000 0.535 236 N N 0.100 119.170 118.700 0.617 0.000 2.471 236 N HA 0.844 5.586 4.740 0.002 0.000 0.288 236 N C -0.251 175.264 175.510 0.008 0.000 1.220 236 N CA 0.198 53.466 53.050 0.362 0.000 0.893 236 N CB 2.115 40.819 38.487 0.360 0.000 1.256 236 N HN 0.298 nan 8.380 nan 0.000 0.534 237 A N -0.498 122.152 122.820 -0.283 0.000 2.490 237 A HA 0.396 4.717 4.320 0.002 0.000 0.292 237 A C -1.473 175.957 177.584 -0.255 0.000 1.047 237 A CA -0.811 50.863 52.037 -0.604 0.000 0.632 237 A CB 0.572 19.328 19.000 -0.405 0.000 1.323 237 A HN 0.559 nan 8.150 nan 0.000 0.448 238 K N 0.449 120.746 120.400 -0.172 0.000 2.218 238 K HA 0.589 4.910 4.320 0.002 0.000 0.276 238 K C -0.338 176.212 176.600 -0.083 0.000 1.022 238 K CA 0.704 56.955 56.287 -0.060 0.000 0.946 238 K CB 0.659 33.131 32.500 -0.047 0.000 1.000 238 K HN 1.080 nan 8.250 nan 0.000 0.468 239 T N 0.332 114.853 114.554 -0.055 0.000 2.921 239 T HA 0.156 4.507 4.350 0.002 0.000 0.297 239 T C 0.943 175.575 174.700 -0.114 0.000 1.013 239 T CA -0.590 61.471 62.100 -0.064 0.000 0.990 239 T CB 1.552 70.421 68.868 0.002 0.000 1.023 239 T HN 0.688 nan 8.240 nan 0.000 0.447 240 T N 2.643 117.089 114.554 -0.179 0.000 2.691 240 T HA -0.317 4.034 4.350 0.002 0.000 0.236 240 T C 1.464 176.035 174.700 -0.215 0.000 1.238 240 T CA 2.380 64.333 62.100 -0.245 0.000 1.098 240 T CB -0.469 68.137 68.868 -0.436 0.000 0.808 240 T HN 0.771 nan 8.240 nan 0.000 0.485 241 R N 1.747 122.105 120.500 -0.237 0.000 2.466 241 R HA 0.357 4.698 4.340 0.002 0.000 0.279 241 R C 0.398 176.683 176.300 -0.026 0.000 0.976 241 R CA -0.064 55.963 56.100 -0.121 0.000 1.081 241 R CB 0.095 30.333 30.300 -0.103 0.000 1.215 241 R HN 0.477 nan 8.270 nan 0.000 0.546 242 N N 0.057 118.746 118.700 -0.018 0.000 2.493 242 N HA 0.097 4.838 4.740 0.002 0.000 0.279 242 N C -0.241 175.283 175.510 0.023 0.000 1.082 242 N CA -0.423 52.639 53.050 0.020 0.000 0.963 242 N CB 1.161 39.679 38.487 0.051 0.000 1.627 242 N HN -0.150 nan 8.380 nan 0.000 0.499 243 N N 1.647 120.369 118.700 0.037 0.000 2.381 243 N HA -0.089 4.652 4.740 0.002 0.000 0.182 243 N C -0.410 175.184 175.510 0.140 0.000 1.025 243 N CA 1.029 54.116 53.050 0.062 0.000 0.888 243 N CB -0.172 38.342 38.487 0.045 0.000 0.965 243 N HN 0.617 nan 8.380 nan 0.000 0.438 244 N N 0.034 118.817 118.700 0.138 0.000 2.685 244 N HA 0.057 4.798 4.740 0.002 0.000 0.252 244 N C -1.752 173.843 175.510 0.141 0.000 1.261 244 N CA 0.001 53.188 53.050 0.228 0.000 0.768 244 N CB 0.672 39.292 38.487 0.222 0.000 1.304 244 N HN -0.201 nan 8.380 nan 0.000 0.536 245 S N 1.612 117.368 115.700 0.093 0.000 2.433 245 S HA 0.298 4.769 4.470 0.002 0.000 0.310 245 S C -0.183 174.468 174.600 0.085 0.000 1.097 245 S CA -0.337 57.904 58.200 0.068 0.000 1.103 245 S CB 1.116 64.344 63.200 0.047 0.000 0.992 245 S HN 0.412 nan 8.310 nan 0.000 0.469 246 S N 4.286 120.020 115.700 0.056 0.000 2.481 246 S HA 0.199 4.670 4.470 0.002 0.000 0.282 246 S C 0.682 175.292 174.600 0.017 0.000 1.243 246 S CA -0.444 57.767 58.200 0.019 0.000 1.078 246 S CB 0.056 63.103 63.200 -0.254 0.000 0.916 246 S HN 0.550 nan 8.310 nan 0.000 0.495 247 R N 3.245 123.883 120.500 0.231 0.000 2.721 247 R HA 0.252 4.593 4.340 0.002 0.000 0.296 247 R C -0.455 176.010 176.300 0.274 0.000 1.174 247 R CA -0.073 56.154 56.100 0.212 0.000 1.129 247 R CB -1.150 29.290 30.300 0.232 0.000 1.316 247 R HN 0.624 nan 8.270 nan 0.000 0.571 248 F N -3.855 116.145 119.950 0.082 0.000 2.711 248 F HA 0.769 5.298 4.527 0.002 0.000 0.313 248 F C -0.272 175.582 175.800 0.089 0.000 1.141 248 F CA -1.793 56.227 58.000 0.032 0.000 0.941 248 F CB 0.839 39.805 39.000 -0.057 0.000 1.349 248 F HN -0.108 nan 8.300 nan 0.000 0.464 249 G N 1.378 110.277 108.800 0.165 0.000 2.416 249 G HA2 0.575 4.536 3.960 0.002 0.000 0.324 249 G HA3 0.575 4.536 3.960 0.002 0.000 0.324 249 G C -1.802 173.290 174.900 0.320 0.000 1.194 249 G CA -1.048 44.100 45.100 0.079 0.000 0.922 249 G HN 0.961 nan 8.290 nan 0.000 0.467 250 K N 0.942 121.458 120.400 0.194 0.000 2.259 250 K HA 0.728 5.049 4.320 0.002 0.000 0.252 250 K C -1.886 174.955 176.600 0.402 0.000 0.936 250 K CA -1.001 55.521 56.287 0.392 0.000 0.810 250 K CB 2.398 35.181 32.500 0.472 0.000 1.143 250 K HN 0.197 nan 8.250 nan 0.000 0.427 251 F N 3.948 124.029 119.950 0.218 0.000 2.445 251 F HA 0.451 4.979 4.527 0.002 0.000 0.348 251 F C -1.101 174.762 175.800 0.105 0.000 1.125 251 F CA -1.814 56.290 58.000 0.173 0.000 0.983 251 F CB 0.805 39.971 39.000 0.275 0.000 1.198 251 F HN 0.489 nan 8.300 nan 0.000 0.436 252 I N 6.819 127.408 120.570 0.032 0.000 2.301 252 I HA 0.335 4.506 4.170 0.002 0.000 0.292 252 I C 0.042 176.005 176.117 -0.257 0.000 1.046 252 I CA -0.336 60.926 61.300 -0.064 0.000 1.282 252 I CB 0.539 38.556 38.000 0.027 0.000 1.409 252 I HN 0.353 nan 8.210 nan 0.000 0.484 253 R N 7.333 127.621 120.500 -0.354 0.000 2.198 253 R HA 0.519 4.860 4.340 0.002 0.000 0.339 253 R C -0.693 175.385 176.300 -0.371 0.000 1.020 253 R CA -0.547 55.251 56.100 -0.504 0.000 0.864 253 R CB 1.146 30.975 30.300 -0.785 0.000 1.105 253 R HN 0.567 nan 8.270 nan 0.000 0.463 254 I N 4.623 125.058 120.570 -0.224 0.000 2.297 254 I HA 0.171 4.342 4.170 0.002 0.000 0.291 254 I C 0.749 176.742 176.117 -0.206 0.000 1.033 254 I CA -0.488 60.730 61.300 -0.137 0.000 1.253 254 I CB 0.505 38.540 38.000 0.058 0.000 1.396 254 I HN 0.406 nan 8.210 nan 0.000 0.476 255 H N 5.969 124.996 119.070 -0.073 0.000 2.544 255 H HA 0.507 5.064 4.556 0.002 0.000 0.365 255 H C -0.953 174.230 175.328 -0.242 0.000 1.268 255 H CA 0.126 56.185 56.048 0.019 0.000 1.400 255 H CB 1.468 31.242 29.762 0.020 0.000 1.538 255 H HN 0.314 nan 8.280 nan 0.000 0.597 256 F N -1.557 118.543 119.950 0.251 0.000 2.631 256 F HA 0.389 4.917 4.527 0.002 0.000 0.308 256 F C 0.677 176.545 175.800 0.112 0.000 1.097 256 F CA -0.789 57.328 58.000 0.195 0.000 0.952 256 F CB 1.646 40.804 39.000 0.264 0.000 1.307 256 F HN 0.580 nan 8.300 nan 0.000 0.450 257 G N -0.133 108.835 108.800 0.281 0.000 2.522 257 G HA2 0.401 4.362 3.960 0.002 0.000 0.304 257 G HA3 0.401 4.362 3.960 0.002 0.000 0.304 257 G C 0.521 175.508 174.900 0.145 0.000 1.210 257 G CA -0.445 44.724 45.100 0.115 0.000 0.960 257 G HN 0.634 nan 8.290 nan 0.000 0.497 258 T N 0.162 114.749 114.554 0.055 0.000 2.969 258 T HA -0.096 4.256 4.350 0.002 0.000 0.271 258 T C 1.831 176.619 174.700 0.146 0.000 1.127 258 T CA 1.189 63.363 62.100 0.124 0.000 1.102 258 T CB -0.020 68.887 68.868 0.066 0.000 0.855 258 T HN 0.362 nan 8.240 nan 0.000 0.536 259 Q N -0.444 119.438 119.800 0.138 0.000 2.280 259 Q HA 0.237 4.578 4.340 0.002 0.000 0.201 259 Q C 1.485 177.587 176.000 0.169 0.000 0.890 259 Q CA 0.261 56.138 55.803 0.123 0.000 0.947 259 Q CB 0.666 29.464 28.738 0.100 0.000 1.081 259 Q HN 0.628 nan 8.270 nan 0.000 0.502 260 G N 2.140 111.083 108.800 0.239 0.000 2.141 260 G HA2 -0.268 3.693 3.960 0.002 0.000 0.242 260 G HA3 -0.268 3.693 3.960 0.002 0.000 0.242 260 G C -0.032 175.250 174.900 0.636 0.000 0.982 260 G CA 0.296 45.607 45.100 0.352 0.000 0.662 260 G HN 0.368 nan 8.290 nan 0.000 0.527 261 K N 0.643 121.312 120.400 0.448 0.000 2.339 261 K HA 0.576 4.897 4.320 0.002 0.000 0.286 261 K C 0.456 177.223 176.600 0.278 0.000 1.050 261 K CA -0.809 55.670 56.287 0.320 0.000 0.956 261 K CB 1.592 34.196 32.500 0.174 0.000 0.990 261 K HN 0.228 nan 8.250 nan 0.000 0.475 262 I N 2.711 123.317 120.570 0.060 0.000 2.662 262 I HA -0.105 4.066 4.170 0.002 0.000 0.285 262 I C 0.743 176.753 176.117 -0.178 0.000 1.161 262 I CA 0.373 61.462 61.300 -0.352 0.000 1.415 262 I CB 0.837 38.663 38.000 -0.289 0.000 1.385 262 I HN 0.930 nan 8.210 nan 0.000 0.552 263 A N 5.126 127.833 122.820 -0.188 0.000 2.585 263 A HA 0.660 4.982 4.320 0.002 0.000 0.266 263 A C 0.485 178.035 177.584 -0.057 0.000 1.178 263 A CA 0.336 52.331 52.037 -0.071 0.000 0.966 263 A CB 0.371 19.362 19.000 -0.015 0.000 1.170 263 A HN 0.898 nan 8.150 nan 0.000 0.558 264 G N -1.900 106.865 108.800 -0.058 0.000 2.359 264 G HA2 0.623 4.585 3.960 0.002 0.000 0.293 264 G HA3 0.623 4.585 3.960 0.002 0.000 0.293 264 G C -1.039 173.911 174.900 0.083 0.000 1.300 264 G CA 0.080 45.178 45.100 -0.004 0.000 0.888 264 G HN 1.656 nan 8.290 nan 0.000 0.541 265 A N -0.266 122.622 122.820 0.113 0.000 2.601 265 A HA 0.908 5.229 4.320 0.002 0.000 0.291 265 A C -1.700 175.928 177.584 0.074 0.000 1.075 265 A CA 0.479 52.583 52.037 0.112 0.000 0.671 265 A CB 2.052 21.059 19.000 0.011 0.000 1.277 265 A HN 2.216 nan 8.150 nan 0.000 0.417 266 D N -0.718 119.703 120.400 0.034 0.000 2.710 266 D HA 0.509 5.150 4.640 0.002 0.000 0.276 266 D C -1.401 174.871 176.300 -0.047 0.000 1.267 266 D CA -0.256 53.737 54.000 -0.011 0.000 0.772 266 D CB 0.584 41.384 40.800 -0.001 0.000 1.299 266 D HN 0.559 nan 8.370 nan 0.000 0.421 267 I N 0.055 120.594 120.570 -0.053 0.000 2.466 267 I HA 0.282 4.454 4.170 0.002 0.000 0.289 267 I C -0.404 175.693 176.117 -0.034 0.000 1.026 267 I CA -0.686 60.596 61.300 -0.029 0.000 1.078 267 I CB 2.060 40.054 38.000 -0.011 0.000 1.249 267 I HN 0.195 nan 8.210 nan 0.000 0.429 268 E N 4.201 124.408 120.200 0.011 0.000 2.179 268 E HA 0.463 4.814 4.350 0.002 0.000 0.275 268 E C -0.712 175.843 176.600 -0.074 0.000 0.945 268 E CA -0.652 55.704 56.400 -0.073 0.000 0.792 268 E CB 2.165 31.847 29.700 -0.030 0.000 1.125 268 E HN 0.598 nan 8.360 nan 0.000 0.397 269 T N -0.247 114.188 114.554 -0.198 0.000 2.885 269 T HA 0.603 4.954 4.350 0.002 0.000 0.285 269 T C -0.864 173.683 174.700 -0.255 0.000 1.019 269 T CA -0.700 61.404 62.100 0.007 0.000 1.010 269 T CB 0.660 69.657 68.868 0.216 0.000 1.022 269 T HN 0.311 nan 8.240 nan 0.000 0.466 270 Y N 0.572 120.989 120.300 0.196 0.000 2.553 270 Y HA 0.553 5.105 4.550 0.002 0.000 0.347 270 Y C 0.081 176.012 175.900 0.051 0.000 1.019 270 Y CA -1.920 56.229 58.100 0.081 0.000 1.032 270 Y CB 1.575 40.046 38.460 0.018 0.000 1.284 270 Y HN 0.745 nan 8.280 nan 0.000 0.466 271 L N 1.838 123.143 121.223 0.136 0.000 3.895 271 L HA -0.249 4.092 4.340 0.002 0.000 0.511 271 L C -0.607 176.272 176.870 0.015 0.000 1.222 271 L CA 0.189 55.021 54.840 -0.013 0.000 0.739 271 L CB -1.257 40.724 42.059 -0.130 0.000 1.425 271 L HN 0.445 nan 8.230 nan 0.000 0.817 272 L N 1.318 122.534 121.223 -0.013 0.000 2.416 272 L HA 0.181 4.523 4.340 0.002 0.000 0.272 272 L C 1.144 178.039 176.870 0.042 0.000 1.161 272 L CA 0.430 55.237 54.840 -0.055 0.000 0.845 272 L CB 0.912 42.766 42.059 -0.342 0.000 1.119 272 L HN 0.294 nan 8.230 nan 0.000 0.464 273 E N 4.680 124.970 120.200 0.151 0.000 1.791 273 E HA 0.013 4.365 4.350 0.002 0.000 0.263 273 E C 0.502 177.227 176.600 0.209 0.000 1.213 273 E CA -0.069 56.422 56.400 0.150 0.000 0.991 273 E CB 0.307 30.080 29.700 0.122 0.000 1.068 273 E HN 0.691 nan 8.360 nan 0.000 0.417 274 K N 1.179 121.677 120.400 0.163 0.000 1.972 274 K HA -0.235 4.086 4.320 0.002 0.000 0.227 274 K C 1.843 178.548 176.600 0.175 0.000 1.046 274 K CA 2.001 58.395 56.287 0.179 0.000 1.013 274 K CB -0.389 32.200 32.500 0.148 0.000 0.741 274 K HN 0.432 nan 8.250 nan 0.000 0.446 275 S N 0.822 116.618 115.700 0.160 0.000 2.615 275 S HA -0.371 4.100 4.470 0.002 0.000 0.330 275 S C 1.829 176.537 174.600 0.180 0.000 1.300 275 S CA 2.310 60.611 58.200 0.169 0.000 1.166 275 S CB -0.903 62.400 63.200 0.171 0.000 1.246 275 S HN 0.375 nan 8.310 nan 0.000 0.442 276 R N 0.909 121.484 120.500 0.126 0.000 2.154 276 R HA -0.140 4.201 4.340 0.002 0.000 0.248 276 R C 1.990 178.311 176.300 0.035 0.000 1.155 276 R CA 1.641 57.758 56.100 0.028 0.000 0.979 276 R CB -0.613 29.558 30.300 -0.215 0.000 0.869 276 R HN 0.428 nan 8.270 nan 0.000 0.452 277 V N -0.137 119.832 119.914 0.092 0.000 2.688 277 V HA -0.202 3.919 4.120 0.002 0.000 0.256 277 V C 1.584 177.781 176.094 0.171 0.000 1.084 277 V CA 2.169 64.516 62.300 0.079 0.000 1.103 277 V CB -0.366 31.502 31.823 0.075 0.000 0.688 277 V HN 0.688 nan 8.190 nan 0.000 0.480 278 T N -4.589 110.099 114.554 0.224 0.000 3.332 278 T HA 0.287 4.638 4.350 0.002 0.000 0.304 278 T C -0.535 174.270 174.700 0.176 0.000 0.971 278 T CA -0.297 61.962 62.100 0.264 0.000 0.954 278 T CB -0.007 69.068 68.868 0.344 0.000 1.175 278 T HN 0.282 nan 8.240 nan 0.000 0.519 279 Y N 1.342 121.652 120.300 0.016 0.000 2.390 279 Y HA 0.605 5.156 4.550 0.002 0.000 0.324 279 Y C -1.964 173.938 175.900 0.003 0.000 1.151 279 Y CA -0.881 57.222 58.100 0.006 0.000 1.053 279 Y CB 1.713 40.194 38.460 0.035 0.000 1.277 279 Y HN 0.076 nan 8.280 nan 0.000 0.432 280 Q N 3.839 123.101 119.800 -0.896 0.000 2.365 280 Q HA 0.471 4.812 4.340 0.002 0.000 0.269 280 Q C -1.162 174.335 176.000 -0.839 0.000 1.061 280 Q CA -0.745 54.617 55.803 -0.734 0.000 0.816 280 Q CB 2.291 30.838 28.738 -0.318 0.000 1.325 280 Q HN 0.654 nan 8.270 nan 0.000 0.446 281 Q N 1.288 120.804 119.800 -0.474 0.000 3.008 281 Q HA 0.295 4.637 4.340 0.002 0.000 0.307 281 Q C -0.151 175.766 176.000 -0.139 0.000 1.273 281 Q CA -0.027 55.647 55.803 -0.216 0.000 1.091 281 Q CB 0.336 29.058 28.738 -0.026 0.000 1.393 281 Q HN 0.865 nan 8.270 nan 0.000 0.521 282 S N 0.944 116.560 115.700 -0.141 0.000 4.157 282 S HA -0.349 4.123 4.470 0.002 0.000 0.521 282 S C 0.974 175.508 174.600 -0.109 0.000 1.858 282 S CA 1.747 59.883 58.200 -0.107 0.000 4.242 282 S CB -1.058 62.085 63.200 -0.095 0.000 0.300 282 S HN 0.749 nan 8.310 nan 0.000 0.454 283 A N 2.321 125.074 122.820 -0.111 0.000 2.532 283 A HA 0.494 4.815 4.320 0.002 0.000 0.273 283 A C 0.454 177.964 177.584 -0.122 0.000 1.342 283 A CA 0.076 52.046 52.037 -0.111 0.000 0.929 283 A CB -0.053 18.882 19.000 -0.110 0.000 1.051 283 A HN 0.552 nan 8.150 nan 0.000 0.521 284 E N -0.550 119.570 120.200 -0.133 0.000 2.450 284 E HA 0.708 5.060 4.350 0.002 0.000 0.248 284 E C -0.435 176.074 176.600 -0.151 0.000 0.930 284 E CA -0.963 55.354 56.400 -0.137 0.000 0.854 284 E CB 1.584 31.205 29.700 -0.133 0.000 1.355 284 E HN 0.331 nan 8.360 nan 0.000 0.402 285 R N 0.592 121.004 120.500 -0.147 0.000 2.664 285 R HA 0.168 4.509 4.340 0.002 0.000 0.266 285 R C -1.038 175.237 176.300 -0.041 0.000 1.046 285 R CA -0.604 55.425 56.100 -0.118 0.000 0.885 285 R CB 1.298 31.449 30.300 -0.249 0.000 1.254 285 R HN 0.498 nan 8.270 nan 0.000 0.465 286 N N 0.724 119.529 118.700 0.175 0.000 2.285 286 N HA 0.050 4.791 4.740 0.002 0.000 0.262 286 N C -0.601 175.013 175.510 0.173 0.000 1.299 286 N CA 0.273 53.382 53.050 0.098 0.000 0.930 286 N CB 0.139 38.689 38.487 0.106 0.000 1.157 286 N HN 0.322 nan 8.380 nan 0.000 0.532 287 Y N 0.894 121.336 120.300 0.236 0.000 2.709 287 Y HA -0.092 4.460 4.550 0.002 0.000 0.348 287 Y C 2.138 178.182 175.900 0.239 0.000 1.267 287 Y CA 0.362 58.543 58.100 0.136 0.000 1.486 287 Y CB 0.192 38.716 38.460 0.107 0.000 1.356 287 Y HN 0.524 nan 8.280 nan 0.000 0.639 288 H N 1.342 120.633 119.070 0.369 0.000 2.319 288 H HA -0.222 4.335 4.556 0.002 0.000 0.299 288 H C 2.412 177.835 175.328 0.159 0.000 1.092 288 H CA 2.062 58.279 56.048 0.283 0.000 1.302 288 H CB -0.311 29.552 29.762 0.168 0.000 1.373 288 H HN 0.793 nan 8.280 nan 0.000 0.497 289 I N 0.494 121.087 120.570 0.038 0.000 2.236 289 I HA -0.354 3.817 4.170 0.002 0.000 0.249 289 I C 1.857 177.770 176.117 -0.340 0.000 1.102 289 I CA 1.403 62.519 61.300 -0.306 0.000 1.365 289 I CB -0.264 37.241 38.000 -0.825 0.000 1.051 289 I HN -0.022 nan 8.210 nan 0.000 0.420 290 F N 0.632 120.449 119.950 -0.222 0.000 2.095 290 F HA -0.245 4.283 4.527 0.002 0.000 0.298 290 F C 2.139 177.657 175.800 -0.470 0.000 1.104 290 F CA 1.814 59.554 58.000 -0.433 0.000 1.232 290 F CB -1.145 37.468 39.000 -0.645 0.000 0.987 290 F HN 0.130 nan 8.300 nan 0.000 0.475 291 Y N -0.883 119.515 120.300 0.163 0.000 2.583 291 Y HA -0.049 4.502 4.550 0.002 0.000 0.293 291 Y C 2.246 178.176 175.900 0.049 0.000 1.157 291 Y CA 0.334 58.494 58.100 0.100 0.000 1.315 291 Y CB -0.771 37.756 38.460 0.113 0.000 1.021 291 Y HN 0.175 nan 8.280 nan 0.000 0.536 292 Q N -0.084 119.765 119.800 0.080 0.000 2.036 292 Q HA -0.064 4.277 4.340 0.002 0.000 0.195 292 Q C 2.219 178.186 176.000 -0.054 0.000 0.971 292 Q CA 0.655 56.465 55.803 0.011 0.000 0.826 292 Q CB -0.164 28.537 28.738 -0.060 0.000 0.896 292 Q HN 0.450 nan 8.270 nan 0.000 0.449 293 L N 0.943 122.052 121.223 -0.191 0.000 2.021 293 L HA -0.191 4.150 4.340 0.002 0.000 0.215 293 L C 1.139 177.980 176.870 -0.048 0.000 1.074 293 L CA 1.067 55.766 54.840 -0.236 0.000 0.760 293 L CB -0.426 41.434 42.059 -0.333 0.000 0.889 293 L HN 0.290 nan 8.230 nan 0.000 0.433 294 L N 0.405 121.614 121.223 -0.022 0.000 2.436 294 L HA 0.045 4.387 4.340 0.002 0.000 0.244 294 L C 0.465 177.391 176.870 0.093 0.000 1.396 294 L CA -0.118 54.747 54.840 0.041 0.000 1.217 294 L CB -0.632 41.438 42.059 0.020 0.000 1.420 294 L HN 0.172 nan 8.230 nan 0.000 0.434 295 S N 1.677 117.455 115.700 0.129 0.000 2.776 295 S HA 0.709 5.180 4.470 0.002 0.000 0.292 295 S C -2.896 171.789 174.600 0.142 0.000 1.187 295 S CA -1.019 57.265 58.200 0.140 0.000 0.834 295 S CB 2.407 65.702 63.200 0.158 0.000 1.199 295 S HN 0.158 nan 8.310 nan 0.000 0.514 296 P HA 0.579 nan 4.420 nan 0.000 0.206 296 P C -0.744 176.463 177.300 -0.154 0.000 1.849 296 P CA -0.324 62.774 63.100 -0.003 0.000 1.229 296 P CB 0.694 32.394 31.700 -0.001 0.000 1.673 297 A N 1.653 124.224 122.820 -0.415 0.000 2.709 297 A HA 0.410 4.732 4.320 0.002 0.000 0.212 297 A C -0.109 176.543 177.584 -1.554 0.000 1.280 297 A CA -0.095 51.376 52.037 -0.943 0.000 1.034 297 A CB -0.107 18.219 19.000 -1.123 0.000 1.255 297 A HN 0.263 nan 8.150 nan 0.000 0.547 298 F N -1.406 118.580 119.950 0.060 0.000 2.656 298 F HA 0.295 4.823 4.527 0.002 0.000 0.363 298 F C -2.057 173.784 175.800 0.067 0.000 1.313 298 F CA -1.129 56.915 58.000 0.073 0.000 1.089 298 F CB 0.367 39.431 39.000 0.106 0.000 1.247 298 F HN -0.089 nan 8.300 nan 0.000 0.509 299 P HA -0.253 nan 4.420 nan 0.000 0.218 299 P C 1.517 178.887 177.300 0.116 0.000 1.152 299 P CA 2.337 65.495 63.100 0.098 0.000 0.857 299 P CB 0.103 31.832 31.700 0.048 0.000 0.787 300 E N -0.495 119.774 120.200 0.116 0.000 2.033 300 E HA -0.265 4.087 4.350 0.002 0.000 0.199 300 E C 1.626 178.308 176.600 0.136 0.000 1.011 300 E CA 1.403 57.870 56.400 0.112 0.000 0.815 300 E CB -1.323 28.442 29.700 0.107 0.000 0.755 300 E HN 0.239 nan 8.360 nan 0.000 0.451 301 N N 1.074 119.886 118.700 0.187 0.000 2.272 301 N HA -0.117 4.624 4.740 0.002 0.000 0.185 301 N C 1.944 177.553 175.510 0.165 0.000 1.014 301 N CA 1.150 54.314 53.050 0.190 0.000 0.870 301 N CB -0.255 38.391 38.487 0.264 0.000 0.975 301 N HN 0.359 nan 8.380 nan 0.000 0.433 302 I N 1.097 121.761 120.570 0.157 0.000 2.700 302 I HA -0.157 4.014 4.170 0.002 0.000 0.261 302 I C 1.315 177.512 176.117 0.132 0.000 1.219 302 I CA 1.080 62.460 61.300 0.134 0.000 1.463 302 I CB -0.060 38.015 38.000 0.125 0.000 1.092 302 I HN 0.070 nan 8.210 nan 0.000 0.452 303 E N 0.346 120.621 120.200 0.124 0.000 2.447 303 E HA 0.030 4.381 4.350 0.002 0.000 0.204 303 E C 1.795 178.468 176.600 0.121 0.000 0.977 303 E CA 0.133 56.601 56.400 0.113 0.000 0.950 303 E CB 0.271 30.023 29.700 0.088 0.000 0.975 303 E HN 0.458 nan 8.360 nan 0.000 0.496 304 K N 0.823 121.300 120.400 0.127 0.000 2.031 304 K HA 0.082 4.404 4.320 0.002 0.000 0.205 304 K C 2.248 178.944 176.600 0.160 0.000 1.049 304 K CA 0.671 57.039 56.287 0.135 0.000 0.939 304 K CB 0.072 32.640 32.500 0.113 0.000 0.717 304 K HN 0.028 nan 8.250 nan 0.000 0.438 305 I N 0.656 121.321 120.570 0.158 0.000 2.163 305 I HA -0.236 3.935 4.170 0.002 0.000 0.243 305 I C 0.563 176.839 176.117 0.265 0.000 1.085 305 I CA 1.261 62.671 61.300 0.183 0.000 1.347 305 I CB 0.088 38.178 38.000 0.152 0.000 1.044 305 I HN 0.244 nan 8.210 nan 0.000 0.408 306 L N -0.683 120.682 121.223 0.238 0.000 3.411 306 L HA -0.059 4.282 4.340 0.002 0.000 0.448 306 L C -0.490 176.579 176.870 0.332 0.000 1.219 306 L CA -0.128 54.848 54.840 0.225 0.000 0.878 306 L CB -1.988 40.126 42.059 0.091 0.000 1.939 306 L HN 0.306 nan 8.230 nan 0.000 0.585 307 A N 0.174 123.154 122.820 0.267 0.000 2.564 307 A HA 0.967 5.288 4.320 0.002 0.000 0.288 307 A C -0.511 177.207 177.584 0.223 0.000 1.164 307 A CA -0.073 52.148 52.037 0.308 0.000 0.712 307 A CB 2.253 21.408 19.000 0.259 0.000 1.303 307 A HN 0.746 nan 8.150 nan 0.000 0.418 308 V N -1.100 118.967 119.914 0.254 0.000 2.357 308 V HA 0.615 4.736 4.120 0.002 0.000 0.284 308 V C -2.483 173.723 176.094 0.185 0.000 1.018 308 V CA -2.191 60.213 62.300 0.175 0.000 0.841 308 V CB 1.085 32.985 31.823 0.129 0.000 0.991 308 V HN 0.686 nan 8.190 nan 0.000 0.437 309 P HA 0.007 nan 4.420 nan 0.000 0.197 309 P C -0.512 176.869 177.300 0.134 0.000 1.121 309 P CA 0.957 64.133 63.100 0.126 0.000 1.318 309 P CB -0.048 31.712 31.700 0.099 0.000 1.634 310 D N 3.654 124.165 120.400 0.184 0.000 2.445 310 D HA 0.122 4.763 4.640 0.002 0.000 0.236 310 D C -1.779 174.675 176.300 0.257 0.000 1.315 310 D CA -1.740 52.367 54.000 0.179 0.000 0.924 310 D CB 1.273 42.153 40.800 0.133 0.000 1.447 310 D HN -0.026 nan 8.370 nan 0.000 0.532 311 P HA -0.105 nan 4.420 nan 0.000 0.218 311 P C 1.254 178.717 177.300 0.271 0.000 1.146 311 P CA 0.965 64.212 63.100 0.246 0.000 0.820 311 P CB 0.370 32.268 31.700 0.330 0.000 0.778 312 G N 1.655 110.573 108.800 0.197 0.000 2.866 312 G HA2 -0.224 3.738 3.960 0.002 0.000 0.207 312 G HA3 -0.224 3.738 3.960 0.002 0.000 0.207 312 G C 1.096 176.076 174.900 0.133 0.000 1.402 312 G CA 0.469 45.648 45.100 0.130 0.000 0.830 312 G HN 0.228 nan 8.290 nan 0.000 0.644 313 L N 0.008 121.235 121.223 0.007 0.000 6.316 313 L HA -0.180 4.161 4.340 0.002 0.000 0.368 313 L C -0.577 175.947 176.870 -0.577 0.000 1.541 313 L CA 0.699 55.381 54.840 -0.263 0.000 0.639 313 L CB -1.696 40.120 42.059 -0.405 0.000 1.382 313 L HN 0.315 nan 8.230 nan 0.000 0.426 314 Y N -2.311 117.989 120.300 -0.001 0.000 2.323 314 Y HA 0.316 4.867 4.550 0.002 0.000 0.322 314 Y C 1.166 177.045 175.900 -0.034 0.000 1.133 314 Y CA -0.442 57.655 58.100 -0.005 0.000 1.093 314 Y CB 1.195 39.641 38.460 -0.024 0.000 1.203 314 Y HN -0.123 nan 8.280 nan 0.000 0.427 315 G N 1.548 110.384 108.800 0.059 0.000 2.469 315 G HA2 -0.263 3.698 3.960 0.002 0.000 0.220 315 G HA3 -0.263 3.698 3.960 0.002 0.000 0.220 315 G C 0.840 175.641 174.900 -0.165 0.000 1.136 315 G CA 0.686 45.728 45.100 -0.097 0.000 0.759 315 G HN 0.579 nan 8.290 nan 0.000 0.562 316 F N -0.056 119.877 119.950 -0.027 0.000 2.697 316 F HA 0.460 4.988 4.527 0.002 0.000 0.297 316 F C 1.422 177.047 175.800 -0.292 0.000 1.203 316 F CA 0.215 58.130 58.000 -0.142 0.000 1.421 316 F CB 0.207 39.097 39.000 -0.183 0.000 1.033 316 F HN 0.065 nan 8.300 nan 0.000 0.512 317 I N -1.242 119.297 120.570 -0.053 0.000 5.275 317 I HA -0.125 4.046 4.170 0.002 0.000 0.387 317 I C 1.023 177.187 176.117 0.078 0.000 1.037 317 I CA 0.201 61.438 61.300 -0.105 0.000 1.615 317 I CB 0.131 37.965 38.000 -0.277 0.000 2.342 317 I HN 0.049 nan 8.210 nan 0.000 0.760 318 N N 0.662 119.400 118.700 0.064 0.000 2.325 318 N HA -0.016 4.725 4.740 0.002 0.000 0.182 318 N C 1.277 176.791 175.510 0.006 0.000 1.088 318 N CA 0.261 53.353 53.050 0.070 0.000 0.879 318 N CB -0.220 38.305 38.487 0.064 0.000 0.983 318 N HN 0.305 nan 8.380 nan 0.000 0.471 319 Q N 0.123 119.900 119.800 -0.039 0.000 2.156 319 Q HA -0.108 4.233 4.340 0.002 0.000 0.211 319 Q C 1.322 177.260 176.000 -0.104 0.000 0.995 319 Q CA 1.977 57.729 55.803 -0.085 0.000 0.877 319 Q CB -0.237 28.412 28.738 -0.148 0.000 0.920 319 Q HN 0.587 nan 8.270 nan 0.000 0.416 320 G N -0.372 108.364 108.800 -0.105 0.000 3.223 320 G HA2 0.160 4.121 3.960 0.002 0.000 0.198 320 G HA3 0.160 4.121 3.960 0.002 0.000 0.198 320 G C 0.001 174.851 174.900 -0.085 0.000 1.980 320 G CA -0.080 44.950 45.100 -0.117 0.000 0.828 320 G HN 0.127 nan 8.290 nan 0.000 0.680 321 T N 0.221 114.710 114.554 -0.109 0.000 2.936 321 T HA 0.480 4.831 4.350 0.002 0.000 0.282 321 T C 1.335 175.943 174.700 -0.153 0.000 1.003 321 T CA -0.458 61.571 62.100 -0.119 0.000 1.005 321 T CB 1.767 70.551 68.868 -0.140 0.000 1.097 321 T HN 0.148 nan 8.240 nan 0.000 0.532 322 L N 0.479 121.627 121.223 -0.124 0.000 2.189 322 L HA 0.228 4.569 4.340 0.002 0.000 0.199 322 L C 1.458 178.210 176.870 -0.197 0.000 1.074 322 L CA 0.391 55.173 54.840 -0.098 0.000 0.783 322 L CB -0.204 41.848 42.059 -0.011 0.000 0.955 322 L HN 0.772 nan 8.230 nan 0.000 0.460 323 T N -3.296 111.170 114.554 -0.146 0.000 2.742 323 T HA 0.663 5.014 4.350 0.002 0.000 0.282 323 T C -0.715 173.918 174.700 -0.111 0.000 1.025 323 T CA -0.669 61.355 62.100 -0.126 0.000 1.020 323 T CB 2.203 71.040 68.868 -0.051 0.000 1.317 323 T HN -0.235 nan 8.240 nan 0.000 0.538 324 V N 1.784 121.654 119.914 -0.073 0.000 2.483 324 V HA 0.342 4.463 4.120 0.002 0.000 0.297 324 V C -0.830 175.242 176.094 -0.037 0.000 1.027 324 V CA -1.043 61.227 62.300 -0.052 0.000 0.855 324 V CB 1.530 33.339 31.823 -0.023 0.000 0.995 324 V HN 0.959 nan 8.190 nan 0.000 0.424 325 D N 4.271 124.650 120.400 -0.036 0.000 2.662 325 D HA 0.243 4.884 4.640 0.002 0.000 0.237 325 D C 1.157 177.442 176.300 -0.025 0.000 1.154 325 D CA 1.982 55.965 54.000 -0.030 0.000 0.861 325 D CB 0.704 41.485 40.800 -0.031 0.000 1.146 325 D HN 1.151 nan 8.370 nan 0.000 0.518 326 G N 2.298 111.084 108.800 -0.022 0.000 2.255 326 G HA2 -0.218 3.743 3.960 0.002 0.000 0.239 326 G HA3 -0.218 3.743 3.960 0.002 0.000 0.239 326 G C 0.002 174.889 174.900 -0.022 0.000 1.083 326 G CA -0.332 44.756 45.100 -0.020 0.000 0.826 326 G HN 0.566 nan 8.290 nan 0.000 0.493 327 I N -0.243 120.313 120.570 -0.023 0.000 2.722 327 I HA 0.459 4.630 4.170 0.002 0.000 0.292 327 I C -1.698 174.408 176.117 -0.019 0.000 1.267 327 I CA -0.911 60.371 61.300 -0.031 0.000 1.036 327 I CB 2.164 40.138 38.000 -0.044 0.000 1.281 327 I HN 0.030 nan 8.210 nan 0.000 0.423 328 D N 6.261 126.652 120.400 -0.015 0.000 2.502 328 D HA 0.177 4.818 4.640 0.002 0.000 0.301 328 D C 0.710 177.020 176.300 0.016 0.000 1.202 328 D CA -0.227 53.776 54.000 0.005 0.000 0.878 328 D CB 0.642 41.447 40.800 0.008 0.000 1.062 328 D HN 0.445 nan 8.370 nan 0.000 0.499 329 D N 1.663 122.078 120.400 0.025 0.000 2.472 329 D HA -0.306 4.335 4.640 0.002 0.000 0.194 329 D C 1.428 177.770 176.300 0.069 0.000 1.023 329 D CA 1.615 55.645 54.000 0.050 0.000 0.869 329 D CB 0.165 41.023 40.800 0.096 0.000 0.997 329 D HN 0.603 nan 8.370 nan 0.000 0.463 330 E N 0.401 120.652 120.200 0.085 0.000 2.170 330 E HA -0.313 4.038 4.350 0.002 0.000 0.229 330 E C 2.096 178.769 176.600 0.122 0.000 1.074 330 E CA 1.740 58.207 56.400 0.112 0.000 0.930 330 E CB -0.362 29.382 29.700 0.073 0.000 0.806 330 E HN 0.461 nan 8.360 nan 0.000 0.478 331 E N 0.141 120.386 120.200 0.076 0.000 2.171 331 E HA -0.251 4.100 4.350 0.002 0.000 0.197 331 E C 1.925 178.571 176.600 0.075 0.000 0.997 331 E CA 1.227 57.669 56.400 0.069 0.000 0.810 331 E CB 0.169 29.892 29.700 0.037 0.000 0.738 331 E HN 0.217 nan 8.360 nan 0.000 0.467 332 E N 0.224 120.457 120.200 0.055 0.000 2.076 332 E HA -0.149 4.202 4.350 0.002 0.000 0.190 332 E C 1.951 178.586 176.600 0.059 0.000 0.979 332 E CA 0.784 57.205 56.400 0.035 0.000 0.807 332 E CB -0.393 29.297 29.700 -0.016 0.000 0.761 332 E HN 0.315 nan 8.360 nan 0.000 0.454 333 M N 1.265 120.917 119.600 0.086 0.000 2.446 333 M HA -0.011 4.470 4.480 0.002 0.000 0.263 333 M C 1.582 177.971 176.300 0.147 0.000 1.066 333 M CA 1.341 56.682 55.300 0.070 0.000 1.087 333 M CB -0.681 32.000 32.600 0.135 0.000 1.406 333 M HN 0.021 nan 8.290 nan 0.000 0.459 334 G N 0.335 109.274 108.800 0.231 0.000 2.607 334 G HA2 -0.056 3.905 3.960 0.002 0.000 0.215 334 G HA3 -0.056 3.905 3.960 0.002 0.000 0.215 334 G C 1.394 176.402 174.900 0.180 0.000 1.275 334 G CA 0.621 45.895 45.100 0.290 0.000 0.842 334 G HN 0.480 nan 8.290 nan 0.000 0.555 335 L N 0.597 121.889 121.223 0.115 0.000 2.043 335 L HA -0.162 4.179 4.340 0.002 0.000 0.212 335 L C 3.188 180.103 176.870 0.074 0.000 1.075 335 L CA 1.660 56.548 54.840 0.081 0.000 0.752 335 L CB -1.021 41.068 42.059 0.050 0.000 0.891 335 L HN 0.218 nan 8.230 nan 0.000 0.432 336 T N -0.880 113.712 114.554 0.063 0.000 2.653 336 T HA -0.279 4.072 4.350 0.002 0.000 0.268 336 T C 1.571 176.349 174.700 0.130 0.000 1.035 336 T CA 2.044 64.172 62.100 0.047 0.000 1.154 336 T CB -0.294 68.590 68.868 0.028 0.000 0.862 336 T HN 0.381 nan 8.240 nan 0.000 0.441 337 D N 0.258 120.753 120.400 0.157 0.000 2.097 337 D HA -0.070 4.572 4.640 0.002 0.000 0.197 337 D C 2.308 178.725 176.300 0.195 0.000 0.984 337 D CA 1.317 55.446 54.000 0.214 0.000 0.826 337 D CB -0.559 40.256 40.800 0.026 0.000 0.973 337 D HN 0.266 nan 8.370 nan 0.000 0.460 338 T N 0.047 114.690 114.554 0.149 0.000 2.699 338 T HA -0.183 4.169 4.350 0.002 0.000 0.268 338 T C 1.892 176.649 174.700 0.094 0.000 1.036 338 T CA 1.869 64.037 62.100 0.113 0.000 1.147 338 T CB -0.531 68.392 68.868 0.093 0.000 0.862 338 T HN 0.284 nan 8.240 nan 0.000 0.446 339 A N 0.613 123.483 122.820 0.084 0.000 1.972 339 A HA 0.008 4.329 4.320 0.002 0.000 0.219 339 A C 1.919 179.550 177.584 0.079 0.000 1.169 339 A CA 1.054 53.116 52.037 0.041 0.000 0.635 339 A CB -0.883 18.113 19.000 -0.007 0.000 0.810 339 A HN 0.433 nan 8.150 nan 0.000 0.446 340 F N 1.008 120.964 119.950 0.010 0.000 2.333 340 F HA -0.106 4.423 4.527 0.002 0.000 0.300 340 F C 1.437 177.219 175.800 -0.029 0.000 1.083 340 F CA 1.492 59.499 58.000 0.011 0.000 1.395 340 F CB -0.317 38.702 39.000 0.031 0.000 1.056 340 F HN 0.397 nan 8.300 nan 0.000 0.529 341 D N -1.359 119.134 120.400 0.155 0.000 2.259 341 D HA -0.066 4.575 4.640 0.002 0.000 0.216 341 D C 2.330 178.603 176.300 -0.044 0.000 0.961 341 D CA 0.746 54.762 54.000 0.026 0.000 0.878 341 D CB -0.421 40.391 40.800 0.021 0.000 1.009 341 D HN 0.000 nan 8.370 nan 0.000 0.490 342 V N 1.314 121.215 119.914 -0.022 0.000 2.324 342 V HA -0.220 3.902 4.120 0.002 0.000 0.250 342 V C 2.251 178.274 176.094 -0.119 0.000 1.060 342 V CA 1.315 63.580 62.300 -0.058 0.000 1.042 342 V CB -0.510 31.294 31.823 -0.032 0.000 0.650 342 V HN 0.319 nan 8.190 nan 0.000 0.450 343 L N 0.282 121.439 121.223 -0.110 0.000 2.549 343 L HA 0.060 4.401 4.340 0.002 0.000 0.229 343 L C 1.536 178.094 176.870 -0.520 0.000 1.158 343 L CA 1.066 55.796 54.840 -0.183 0.000 0.842 343 L CB -1.007 41.020 42.059 -0.053 0.000 0.952 343 L HN 0.668 nan 8.230 nan 0.000 0.452 344 G N 0.323 108.826 108.800 -0.495 0.000 2.303 344 G HA2 -0.280 3.681 3.960 0.002 0.000 0.260 344 G HA3 -0.280 3.681 3.960 0.002 0.000 0.260 344 G C -0.329 173.927 174.900 -1.073 0.000 1.106 344 G CA -0.448 44.209 45.100 -0.738 0.000 0.900 344 G HN 0.255 nan 8.290 nan 0.000 0.495 345 F N 0.185 120.141 119.950 0.011 0.000 2.539 345 F HA 0.463 4.991 4.527 0.002 0.000 0.318 345 F C 1.145 176.902 175.800 -0.072 0.000 1.135 345 F CA -0.794 57.200 58.000 -0.011 0.000 0.915 345 F CB 1.874 40.889 39.000 0.026 0.000 1.176 345 F HN 0.104 nan 8.300 nan 0.000 0.440 346 T N 2.469 117.123 114.554 0.166 0.000 2.097 346 T HA -0.202 4.150 4.350 0.002 0.000 0.243 346 T C 0.732 175.386 174.700 -0.077 0.000 1.038 346 T CA 0.438 62.559 62.100 0.034 0.000 1.640 346 T CB -0.154 68.740 68.868 0.044 0.000 1.030 346 T HN 0.549 nan 8.240 nan 0.000 0.404 347 D N 2.112 122.455 120.400 -0.095 0.000 2.354 347 D HA -0.076 4.566 4.640 0.002 0.000 0.216 347 D C 1.756 177.947 176.300 -0.182 0.000 0.970 347 D CA 0.802 54.708 54.000 -0.156 0.000 0.905 347 D CB 0.196 40.938 40.800 -0.096 0.000 0.903 347 D HN 0.659 nan 8.370 nan 0.000 0.508 348 E N 0.968 121.088 120.200 -0.132 0.000 2.045 348 E HA -0.053 4.299 4.350 0.002 0.000 0.190 348 E C 1.750 178.245 176.600 -0.176 0.000 0.968 348 E CA 0.695 57.017 56.400 -0.130 0.000 0.813 348 E CB 0.003 29.653 29.700 -0.084 0.000 0.780 348 E HN 0.181 nan 8.360 nan 0.000 0.455 349 E N 0.937 121.052 120.200 -0.143 0.000 2.068 349 E HA -0.310 4.042 4.350 0.002 0.000 0.207 349 E C 1.959 178.391 176.600 -0.281 0.000 1.032 349 E CA 1.784 58.089 56.400 -0.158 0.000 0.839 349 E CB -0.302 29.398 29.700 0.000 0.000 0.758 349 E HN 0.157 nan 8.360 nan 0.000 0.457 350 K N 0.846 120.991 120.400 -0.426 0.000 2.259 350 K HA -0.261 4.060 4.320 0.002 0.000 0.206 350 K C 2.074 178.179 176.600 -0.826 0.000 1.044 350 K CA 1.332 57.115 56.287 -0.840 0.000 0.931 350 K CB -0.136 31.850 32.500 -0.857 0.000 0.726 350 K HN 0.104 nan 8.250 nan 0.000 0.467 351 L N 0.387 121.330 121.223 -0.466 0.000 2.071 351 L HA -0.044 4.297 4.340 0.002 0.000 0.201 351 L C 2.175 178.949 176.870 -0.160 0.000 1.076 351 L CA 1.473 56.137 54.840 -0.294 0.000 0.755 351 L CB -0.514 41.439 42.059 -0.176 0.000 0.915 351 L HN 0.062 nan 8.230 nan 0.000 0.445 352 S N -0.288 115.304 115.700 -0.181 0.000 2.377 352 S HA -0.322 4.149 4.470 0.002 0.000 0.224 352 S C 1.961 176.503 174.600 -0.097 0.000 1.042 352 S CA 2.188 60.290 58.200 -0.163 0.000 1.086 352 S CB -0.566 62.489 63.200 -0.243 0.000 0.995 352 S HN 0.503 nan 8.310 nan 0.000 0.428 353 M N 0.719 120.260 119.600 -0.099 0.000 2.113 353 M HA -0.200 4.281 4.480 0.002 0.000 0.255 353 M C 1.616 178.062 176.300 0.244 0.000 1.073 353 M CA 1.783 57.119 55.300 0.060 0.000 1.091 353 M CB -0.889 31.814 32.600 0.171 0.000 1.309 353 M HN 0.482 nan 8.290 nan 0.000 0.407 354 Y N -0.421 119.872 120.300 -0.010 0.000 2.070 354 Y HA -0.319 4.232 4.550 0.002 0.000 0.279 354 Y C 2.469 178.363 175.900 -0.010 0.000 1.134 354 Y CA 1.318 59.418 58.100 -0.001 0.000 1.113 354 Y CB -0.462 37.971 38.460 -0.045 0.000 0.981 354 Y HN 0.216 nan 8.280 nan 0.000 0.487 355 K N -0.359 120.131 120.400 0.150 0.000 2.059 355 K HA -0.269 4.052 4.320 0.002 0.000 0.212 355 K C 2.090 178.715 176.600 0.042 0.000 1.050 355 K CA 1.810 58.138 56.287 0.069 0.000 0.927 355 K CB -0.647 31.850 32.500 -0.005 0.000 0.714 355 K HN 0.362 nan 8.250 nan 0.000 0.447 356 C N 0.569 119.876 119.300 0.012 0.000 2.391 356 C HA -0.164 4.298 4.460 0.002 0.000 0.276 356 C C 2.834 177.858 174.990 0.055 0.000 1.217 356 C CA 1.333 60.349 59.018 -0.004 0.000 1.766 356 C CB -1.066 26.646 27.740 -0.047 0.000 2.046 356 C HN 0.566 nan 8.230 nan 0.000 0.475 357 T N 0.446 115.059 114.554 0.097 0.000 2.643 357 T HA -0.060 4.291 4.350 0.002 0.000 0.264 357 T C 2.087 176.855 174.700 0.114 0.000 1.045 357 T CA 1.869 64.047 62.100 0.130 0.000 1.155 357 T CB -0.953 67.929 68.868 0.025 0.000 0.863 357 T HN 0.665 nan 8.240 nan 0.000 0.420 358 G N 0.419 109.245 108.800 0.044 0.000 2.547 358 G HA2 -0.359 3.602 3.960 0.002 0.000 0.221 358 G HA3 -0.359 3.602 3.960 0.002 0.000 0.221 358 G C 1.994 176.834 174.900 -0.100 0.000 1.140 358 G CA 1.313 46.390 45.100 -0.039 0.000 0.760 358 G HN 0.605 nan 8.290 nan 0.000 0.583 359 C N 0.429 119.755 119.300 0.043 0.000 2.391 359 C HA -0.094 4.368 4.460 0.002 0.000 0.276 359 C C 2.895 177.862 174.990 -0.037 0.000 1.217 359 C CA 1.062 60.130 59.018 0.084 0.000 1.766 359 C CB -1.103 26.669 27.740 0.053 0.000 2.046 359 C HN 0.504 nan 8.230 nan 0.000 0.475 360 I N 0.325 120.855 120.570 -0.066 0.000 2.335 360 I HA -0.216 3.955 4.170 0.002 0.000 0.251 360 I C 2.374 178.279 176.117 -0.353 0.000 1.129 360 I CA 1.440 62.611 61.300 -0.214 0.000 1.402 360 I CB -0.386 37.603 38.000 -0.019 0.000 1.069 360 I HN 0.407 nan 8.210 nan 0.000 0.424 361 L N -0.249 120.783 121.223 -0.317 0.000 2.131 361 L HA -0.229 4.112 4.340 0.002 0.000 0.210 361 L C 2.600 179.401 176.870 -0.114 0.000 1.092 361 L CA 1.129 55.734 54.840 -0.392 0.000 0.759 361 L CB -0.745 40.845 42.059 -0.782 0.000 0.903 361 L HN 0.375 nan 8.230 nan 0.000 0.435 362 H N -0.599 118.534 119.070 0.105 0.000 2.399 362 H HA 0.051 4.608 4.556 0.002 0.000 0.300 362 H C 2.254 177.654 175.328 0.121 0.000 1.048 362 H CA 0.659 56.796 56.048 0.148 0.000 1.370 362 H CB -0.267 29.557 29.762 0.103 0.000 1.428 362 H HN 0.244 nan 8.280 nan 0.000 0.534 363 L N 0.809 122.094 121.223 0.104 0.000 2.671 363 L HA -0.122 4.220 4.340 0.002 0.000 0.236 363 L C 2.136 179.203 176.870 0.328 0.000 1.178 363 L CA 0.997 55.870 54.840 0.056 0.000 0.829 363 L CB -0.259 41.686 42.059 -0.189 0.000 0.956 363 L HN 0.301 nan 8.230 nan 0.000 0.455 364 G N -1.968 107.156 108.800 0.540 0.000 2.850 364 G HA2 -0.029 3.932 3.960 0.002 0.000 0.211 364 G HA3 -0.029 3.932 3.960 0.002 0.000 0.211 364 G C 1.431 176.523 174.900 0.319 0.000 1.124 364 G CA -0.197 45.437 45.100 0.890 0.000 0.769 364 G HN 0.141 nan 8.290 nan 0.000 0.535 365 E N 0.904 121.250 120.200 0.244 0.000 2.060 365 E HA 0.069 4.420 4.350 0.002 0.000 0.189 365 E C 1.553 178.146 176.600 -0.013 0.000 0.974 365 E CA -0.007 56.450 56.400 0.095 0.000 0.808 365 E CB -0.420 29.348 29.700 0.112 0.000 0.768 365 E HN 0.347 nan 8.360 nan 0.000 0.453 366 M N 2.670 122.259 119.600 -0.018 0.000 3.276 366 M HA -0.183 4.298 4.480 0.002 0.000 0.397 366 M C 0.051 175.995 176.300 -0.593 0.000 1.763 366 M CA 0.387 55.539 55.300 -0.247 0.000 1.473 366 M CB -0.830 31.732 32.600 -0.064 0.000 1.737 366 M HN -0.260 nan 8.290 nan 0.000 0.488 367 K N 1.165 121.223 120.400 -0.571 0.000 2.188 367 K HA 0.403 4.724 4.320 0.002 0.000 0.246 367 K C -0.930 175.134 176.600 -0.893 0.000 1.026 367 K CA 0.661 56.638 56.287 -0.518 0.000 0.871 367 K CB 0.499 32.848 32.500 -0.251 0.000 1.042 367 K HN 0.460 nan 8.250 nan 0.000 0.509 368 W N -0.916 120.405 121.300 0.036 0.000 3.248 368 W HA 0.376 5.037 4.660 0.002 0.000 0.311 368 W C -0.516 176.019 176.519 0.025 0.000 1.258 368 W CA -0.888 56.477 57.345 0.033 0.000 1.191 368 W CB 1.538 31.021 29.460 0.038 0.000 1.389 368 W HN 0.275 nan 8.180 nan 0.000 0.561 369 K N 1.716 122.309 120.400 0.322 0.000 2.509 369 K HA 0.634 4.955 4.320 0.002 0.000 0.266 369 K C -1.297 175.387 176.600 0.140 0.000 0.987 369 K CA -0.648 55.744 56.287 0.176 0.000 0.868 369 K CB 1.974 34.545 32.500 0.120 0.000 1.421 369 K HN 0.511 nan 8.250 nan 0.000 0.444 370 Q N 1.117 120.970 119.800 0.089 0.000 2.495 370 Q HA 0.627 4.968 4.340 0.002 0.000 0.287 370 Q C -1.083 174.944 176.000 0.045 0.000 1.078 370 Q CA -1.116 54.723 55.803 0.059 0.000 0.793 370 Q CB 2.393 31.156 28.738 0.042 0.000 1.459 370 Q HN 0.480 nan 8.270 nan 0.000 0.422 371 R N 0.564 121.085 120.500 0.035 0.000 2.721 371 R HA 0.492 4.833 4.340 0.002 0.000 0.272 371 R C -0.148 176.165 176.300 0.022 0.000 1.721 371 R CA 0.176 56.293 56.100 0.029 0.000 1.325 371 R CB 1.273 31.591 30.300 0.030 0.000 1.271 371 R HN 1.098 nan 8.270 nan 0.000 0.556 372 G N 2.052 110.865 108.800 0.021 0.000 4.492 372 G HA2 -0.288 3.674 3.960 0.002 0.000 0.265 372 G HA3 -0.288 3.674 3.960 0.002 0.000 0.265 372 G C 0.205 175.114 174.900 0.016 0.000 1.702 372 G CA 0.004 45.114 45.100 0.017 0.000 1.266 372 G HN 0.485 nan 8.290 nan 0.000 0.643 373 E N -0.139 120.069 120.200 0.013 0.000 3.957 373 E HA 0.385 4.736 4.350 0.002 0.000 0.172 373 E C -0.773 175.829 176.600 0.003 0.000 1.032 373 E CA -0.082 56.324 56.400 0.009 0.000 1.491 373 E CB 1.007 30.712 29.700 0.009 0.000 1.151 373 E HN 0.314 nan 8.360 nan 0.000 0.410 374 Q N 1.011 120.813 119.800 0.003 0.000 2.263 374 Q HA 0.616 4.957 4.340 0.002 0.000 0.266 374 Q C -1.575 174.421 176.000 -0.006 0.000 1.002 374 Q CA -0.399 55.400 55.803 -0.007 0.000 0.790 374 Q CB 1.757 30.496 28.738 0.001 0.000 1.272 374 Q HN 0.244 nan 8.270 nan 0.000 0.435 375 A N 3.690 126.487 122.820 -0.038 0.000 2.293 375 A HA 0.786 5.108 4.320 0.002 0.000 0.302 375 A C -0.655 176.927 177.584 -0.003 0.000 1.119 375 A CA -0.248 51.772 52.037 -0.029 0.000 0.823 375 A CB 0.546 19.475 19.000 -0.117 0.000 1.097 375 A HN 0.807 nan 8.150 nan 0.000 0.491 376 E N 0.584 120.862 120.200 0.131 0.000 2.429 376 E HA 0.675 5.026 4.350 0.002 0.000 0.276 376 E C -0.238 176.665 176.600 0.505 0.000 0.953 376 E CA -0.898 55.643 56.400 0.235 0.000 0.787 376 E CB 1.565 31.352 29.700 0.146 0.000 1.307 376 E HN 0.847 nan 8.360 nan 0.000 0.458 377 A N 0.721 123.863 122.820 0.536 0.000 2.455 377 A HA 0.113 4.434 4.320 0.002 0.000 0.244 377 A C 0.193 177.842 177.584 0.108 0.000 1.099 377 A CA 0.655 52.872 52.037 0.299 0.000 0.786 377 A CB 0.066 19.141 19.000 0.124 0.000 1.051 377 A HN 0.753 nan 8.150 nan 0.000 0.508 378 D N -1.368 118.990 120.400 -0.070 0.000 2.914 378 D HA 0.426 5.067 4.640 0.002 0.000 0.349 378 D C 0.062 176.304 176.300 -0.098 0.000 1.540 378 D CA 1.029 55.001 54.000 -0.046 0.000 0.778 378 D CB -0.058 40.723 40.800 -0.032 0.000 1.213 378 D HN 1.067 nan 8.370 nan 0.000 0.451 379 G N -1.215 107.522 108.800 -0.106 0.000 2.404 379 G HA2 0.298 4.259 3.960 0.002 0.000 0.253 379 G HA3 0.298 4.259 3.960 0.002 0.000 0.253 379 G C -0.043 174.798 174.900 -0.097 0.000 1.253 379 G CA 0.326 45.365 45.100 -0.102 0.000 0.917 379 G HN -0.062 nan 8.290 nan 0.000 0.480 380 T N -1.060 113.439 114.554 -0.092 0.000 4.372 380 T HA 0.221 4.572 4.350 0.002 0.000 0.294 380 T C 1.759 176.427 174.700 -0.052 0.000 0.949 380 T CA 1.157 63.219 62.100 -0.064 0.000 0.632 380 T CB -0.861 67.990 68.868 -0.029 0.000 1.049 380 T HN 1.484 nan 8.240 nan 0.000 0.781 381 A N 1.954 124.739 122.820 -0.058 0.000 1.845 381 A HA -0.073 4.248 4.320 0.002 0.000 0.215 381 A C 1.844 179.392 177.584 -0.060 0.000 1.195 381 A CA 2.259 54.263 52.037 -0.054 0.000 0.616 381 A CB -0.623 18.344 19.000 -0.054 0.000 0.832 381 A HN 0.615 nan 8.150 nan 0.000 0.443 382 E N 0.219 120.380 120.200 -0.066 0.000 2.147 382 E HA -0.195 4.156 4.350 0.002 0.000 0.199 382 E C 2.030 178.614 176.600 -0.027 0.000 1.005 382 E CA 1.454 57.825 56.400 -0.050 0.000 0.810 382 E CB -0.379 29.290 29.700 -0.053 0.000 0.736 382 E HN 0.625 nan 8.360 nan 0.000 0.460 383 A N 1.564 124.361 122.820 -0.038 0.000 1.970 383 A HA -0.165 4.156 4.320 0.002 0.000 0.216 383 A C 2.052 179.655 177.584 0.032 0.000 1.170 383 A CA 1.246 53.287 52.037 0.006 0.000 0.645 383 A CB -0.371 18.631 19.000 0.003 0.000 0.816 383 A HN 0.403 nan 8.150 nan 0.000 0.447 384 E N -0.070 120.139 120.200 0.016 0.000 2.371 384 E HA -0.061 4.290 4.350 0.002 0.000 0.194 384 E C 1.584 178.228 176.600 0.073 0.000 1.012 384 E CA 0.661 57.086 56.400 0.042 0.000 0.860 384 E CB -0.153 29.553 29.700 0.010 0.000 0.811 384 E HN 0.500 nan 8.360 nan 0.000 0.502 385 K N 1.127 121.535 120.400 0.012 0.000 2.025 385 K HA -0.095 4.226 4.320 0.002 0.000 0.207 385 K C 2.454 179.086 176.600 0.053 0.000 1.049 385 K CA 1.718 57.991 56.287 -0.023 0.000 0.933 385 K CB -0.140 32.202 32.500 -0.265 0.000 0.714 385 K HN 0.187 nan 8.250 nan 0.000 0.438 386 V N -0.803 119.147 119.914 0.060 0.000 2.307 386 V HA -0.113 4.008 4.120 0.002 0.000 0.245 386 V C 2.386 178.519 176.094 0.064 0.000 1.045 386 V CA 1.665 64.019 62.300 0.089 0.000 1.024 386 V CB -1.256 30.624 31.823 0.095 0.000 0.651 386 V HN 0.195 nan 8.190 nan 0.000 0.449 387 A N 0.333 123.198 122.820 0.075 0.000 1.917 387 A HA -0.203 4.118 4.320 0.002 0.000 0.219 387 A C 2.113 179.752 177.584 0.092 0.000 1.182 387 A CA 2.329 54.408 52.037 0.071 0.000 0.633 387 A CB -0.894 18.154 19.000 0.080 0.000 0.819 387 A HN 0.661 nan 8.150 nan 0.000 0.448 388 F N 0.332 120.275 119.950 -0.012 0.000 2.022 388 F HA -0.087 4.441 4.527 0.002 0.000 0.293 388 F C 1.938 177.731 175.800 -0.010 0.000 1.142 388 F CA 1.608 59.598 58.000 -0.016 0.000 1.177 388 F CB -0.899 38.088 39.000 -0.022 0.000 0.982 388 F HN 0.128 nan 8.300 nan 0.000 0.473 389 L N 0.081 121.123 121.223 -0.302 0.000 2.171 389 L HA -0.322 4.019 4.340 0.002 0.000 0.216 389 L C 2.437 179.113 176.870 -0.323 0.000 1.084 389 L CA 1.442 56.063 54.840 -0.366 0.000 0.771 389 L CB -0.712 41.314 42.059 -0.055 0.000 0.890 389 L HN 0.320 nan 8.230 nan 0.000 0.437 390 L N -1.243 119.858 121.223 -0.203 0.000 2.249 390 L HA 0.126 4.468 4.340 0.002 0.000 0.207 390 L C 1.145 177.903 176.870 -0.187 0.000 1.090 390 L CA 0.614 55.355 54.840 -0.164 0.000 0.802 390 L CB -0.543 41.461 42.059 -0.093 0.000 0.947 390 L HN 0.467 nan 8.230 nan 0.000 0.453 391 G N 1.186 109.875 108.800 -0.184 0.000 2.643 391 G HA2 -0.120 3.842 3.960 0.002 0.000 0.280 391 G HA3 -0.120 3.842 3.960 0.002 0.000 0.280 391 G C -0.622 174.239 174.900 -0.066 0.000 1.120 391 G CA -0.010 45.014 45.100 -0.126 0.000 1.165 391 G HN 0.082 nan 8.290 nan 0.000 0.540 392 V N 0.707 120.608 119.914 -0.021 0.000 3.258 392 V HA 0.508 4.629 4.120 0.002 0.000 0.299 392 V C -0.665 175.440 176.094 0.020 0.000 1.376 392 V CA -1.556 60.734 62.300 -0.017 0.000 1.063 392 V CB 2.184 33.986 31.823 -0.036 0.000 1.103 392 V HN 0.402 nan 8.190 nan 0.000 0.451 393 N N 1.582 120.291 118.700 0.017 0.000 2.558 393 N HA 0.368 5.109 4.740 0.002 0.000 0.233 393 N C 1.100 176.631 175.510 0.035 0.000 1.038 393 N CA 0.526 53.594 53.050 0.030 0.000 0.934 393 N CB 1.618 40.119 38.487 0.022 0.000 1.175 393 N HN 0.910 nan 8.380 nan 0.000 0.512 394 A N 2.921 125.769 122.820 0.047 0.000 1.971 394 A HA -0.315 4.006 4.320 0.002 0.000 0.231 394 A C 2.102 179.719 177.584 0.055 0.000 1.546 394 A CA 2.681 54.751 52.037 0.055 0.000 0.716 394 A CB -1.272 17.759 19.000 0.052 0.000 0.839 394 A HN 0.639 nan 8.150 nan 0.000 0.513 395 G N -0.923 107.902 108.800 0.042 0.000 2.480 395 G HA2 -0.277 3.685 3.960 0.002 0.000 0.216 395 G HA3 -0.277 3.685 3.960 0.002 0.000 0.216 395 G C 1.179 176.103 174.900 0.039 0.000 1.200 395 G CA 1.181 46.305 45.100 0.040 0.000 0.782 395 G HN 0.561 nan 8.290 nan 0.000 0.554 396 D N 0.066 120.483 120.400 0.028 0.000 2.182 396 D HA -0.094 4.547 4.640 0.002 0.000 0.201 396 D C 2.358 178.675 176.300 0.027 0.000 0.986 396 D CA 0.676 54.688 54.000 0.020 0.000 0.847 396 D CB -0.086 40.720 40.800 0.010 0.000 0.942 396 D HN 0.261 nan 8.370 nan 0.000 0.467 397 L N 0.780 122.028 121.223 0.041 0.000 1.950 397 L HA -0.087 4.254 4.340 0.002 0.000 0.210 397 L C 2.404 179.325 176.870 0.085 0.000 1.079 397 L CA 1.238 56.112 54.840 0.056 0.000 0.754 397 L CB -0.826 41.275 42.059 0.071 0.000 0.889 397 L HN -0.045 nan 8.230 nan 0.000 0.433 398 L N -0.233 121.065 121.223 0.126 0.000 2.085 398 L HA -0.345 3.997 4.340 0.002 0.000 0.218 398 L C 2.755 179.686 176.870 0.102 0.000 1.080 398 L CA 1.694 56.645 54.840 0.184 0.000 0.776 398 L CB -0.741 41.428 42.059 0.184 0.000 0.891 398 L HN 0.408 nan 8.230 nan 0.000 0.437 399 K N -0.169 120.268 120.400 0.062 0.000 2.025 399 K HA -0.160 4.161 4.320 0.002 0.000 0.207 399 K C 2.026 178.630 176.600 0.006 0.000 1.049 399 K CA 1.811 58.114 56.287 0.026 0.000 0.933 399 K CB -0.395 32.116 32.500 0.018 0.000 0.714 399 K HN 0.589 nan 8.250 nan 0.000 0.438 400 C N -0.161 119.145 119.300 0.009 0.000 2.576 400 C HA 0.255 4.716 4.460 0.002 0.000 0.267 400 C C 2.278 177.259 174.990 -0.014 0.000 1.364 400 C CA -0.436 58.580 59.018 -0.004 0.000 1.723 400 C CB -1.308 26.430 27.740 -0.003 0.000 1.778 400 C HN 0.199 nan 8.230 nan 0.000 0.572 401 L N -0.129 121.085 121.223 -0.016 0.000 2.262 401 L HA 0.186 4.527 4.340 0.002 0.000 0.197 401 L C 2.704 179.481 176.870 -0.155 0.000 1.073 401 L CA 0.787 55.591 54.840 -0.060 0.000 0.800 401 L CB -0.448 41.606 42.059 -0.008 0.000 0.987 401 L HN 0.225 nan 8.230 nan 0.000 0.470 402 L N -0.028 121.099 121.223 -0.160 0.000 2.217 402 L HA -0.111 4.231 4.340 0.002 0.000 0.211 402 L C 2.154 178.960 176.870 -0.108 0.000 1.107 402 L CA 1.200 55.921 54.840 -0.199 0.000 0.783 402 L CB -0.141 41.851 42.059 -0.111 0.000 0.919 402 L HN 0.343 nan 8.230 nan 0.000 0.442 403 K N -2.241 118.122 120.400 -0.062 0.000 2.567 403 K HA 0.273 4.594 4.320 0.002 0.000 0.199 403 K C -2.183 174.398 176.600 -0.033 0.000 1.412 403 K CA -0.721 55.539 56.287 -0.046 0.000 1.020 403 K CB -0.536 31.939 32.500 -0.041 0.000 1.487 403 K HN -0.088 nan 8.250 nan 0.000 0.531 404 P HA -0.204 nan 4.420 nan 0.000 0.286 404 P C -1.400 175.893 177.300 -0.012 0.000 1.795 404 P CA 1.192 64.289 63.100 -0.005 0.000 1.514 404 P CB 0.034 31.747 31.700 0.020 0.000 0.415 405 K N 2.216 122.614 120.400 -0.003 0.000 2.426 405 K HA 0.647 4.968 4.320 0.002 0.000 0.254 405 K C 0.616 177.236 176.600 0.032 0.000 0.936 405 K CA -0.806 55.477 56.287 -0.006 0.000 0.801 405 K CB 2.043 34.527 32.500 -0.025 0.000 1.139 405 K HN 0.287 nan 8.250 nan 0.000 0.424 406 I N 1.241 121.849 120.570 0.063 0.000 4.239 406 I HA 0.379 4.550 4.170 0.002 0.000 0.214 406 I C -0.212 175.950 176.117 0.074 0.000 0.557 406 I CA -0.635 60.710 61.300 0.074 0.000 2.955 406 I CB 0.764 38.821 38.000 0.096 0.000 1.464 406 I HN 0.611 nan 8.210 nan 0.000 0.527 407 K N -0.510 119.939 120.400 0.081 0.000 2.872 407 K HA 0.409 4.731 4.320 0.002 0.000 0.291 407 K C -0.858 175.774 176.600 0.053 0.000 1.000 407 K CA -0.362 55.965 56.287 0.067 0.000 0.750 407 K CB 2.282 34.812 32.500 0.050 0.000 1.415 407 K HN 0.183 nan 8.250 nan 0.000 0.361 408 V N -2.329 117.609 119.914 0.041 0.000 3.547 408 V HA 0.172 4.293 4.120 0.002 0.000 0.259 408 V C 0.729 176.837 176.094 0.024 0.000 1.814 408 V CA 0.576 62.891 62.300 0.026 0.000 1.077 408 V CB 0.659 32.494 31.823 0.019 0.000 0.964 408 V HN 1.128 nan 8.190 nan 0.000 0.334 409 G N 0.538 109.355 108.800 0.029 0.000 3.724 409 G HA2 0.099 4.060 3.960 0.002 0.000 0.212 409 G HA3 0.099 4.060 3.960 0.002 0.000 0.212 409 G C 0.384 175.301 174.900 0.028 0.000 0.928 409 G CA 0.904 46.019 45.100 0.025 0.000 0.879 409 G HN 0.635 nan 8.290 nan 0.000 0.424 410 T N -0.720 113.856 114.554 0.036 0.000 2.864 410 T HA 0.752 5.104 4.350 0.002 0.000 0.276 410 T C -0.743 173.989 174.700 0.054 0.000 1.006 410 T CA -0.591 61.534 62.100 0.042 0.000 0.970 410 T CB 2.289 71.186 68.868 0.048 0.000 1.420 410 T HN 0.074 nan 8.240 nan 0.000 0.601 411 E N -0.061 120.176 120.200 0.062 0.000 2.409 411 E HA 0.250 4.601 4.350 0.002 0.000 0.259 411 E C -1.771 174.879 176.600 0.084 0.000 0.932 411 E CA -0.495 55.946 56.400 0.068 0.000 0.809 411 E CB 1.448 31.170 29.700 0.037 0.000 1.341 411 E HN 0.598 nan 8.360 nan 0.000 0.405 412 Y N 1.708 122.012 120.300 0.007 0.000 2.298 412 Y HA 0.178 4.729 4.550 0.002 0.000 0.329 412 Y C 0.169 176.073 175.900 0.007 0.000 1.293 412 Y CA -0.313 57.789 58.100 0.005 0.000 1.388 412 Y CB 1.033 39.494 38.460 0.001 0.000 1.309 412 Y HN 0.248 nan 8.280 nan 0.000 0.544 413 V N 5.088 124.503 119.914 -0.831 0.000 2.352 413 V HA -0.018 4.103 4.120 0.002 0.000 0.253 413 V C 0.923 176.960 176.094 -0.095 0.000 1.083 413 V CA 0.821 62.835 62.300 -0.477 0.000 0.993 413 V CB -0.070 31.401 31.823 -0.586 0.000 1.111 413 V HN 1.052 nan 8.190 nan 0.000 0.490 414 T N 1.240 115.842 114.554 0.080 0.000 3.139 414 T HA -0.228 4.124 4.350 0.002 0.000 0.267 414 T C 1.551 176.312 174.700 0.101 0.000 1.164 414 T CA 1.149 63.342 62.100 0.155 0.000 1.075 414 T CB -0.337 68.603 68.868 0.120 0.000 0.904 414 T HN 0.690 nan 8.240 nan 0.000 0.540 415 Q N 1.038 120.861 119.800 0.038 0.000 2.459 415 Q HA -0.299 4.042 4.340 0.002 0.000 0.218 415 Q C 2.276 178.291 176.000 0.026 0.000 1.002 415 Q CA 1.559 57.367 55.803 0.008 0.000 0.956 415 Q CB -1.310 27.412 28.738 -0.027 0.000 0.932 415 Q HN 0.799 nan 8.270 nan 0.000 0.442 416 G N 1.621 110.458 108.800 0.062 0.000 2.942 416 G HA2 -0.392 3.570 3.960 0.002 0.000 0.244 416 G HA3 -0.392 3.570 3.960 0.002 0.000 0.244 416 G C 0.215 175.119 174.900 0.006 0.000 1.096 416 G CA 1.171 46.293 45.100 0.037 0.000 0.731 416 G HN 0.417 nan 8.290 nan 0.000 0.653 417 R N 1.039 121.534 120.500 -0.008 0.000 3.236 417 R HA -0.151 4.190 4.340 0.002 0.000 0.175 417 R C 0.532 176.800 176.300 -0.052 0.000 0.807 417 R CA 1.367 57.441 56.100 -0.043 0.000 0.893 417 R CB -1.070 29.181 30.300 -0.082 0.000 1.031 417 R HN 0.874 nan 8.270 nan 0.000 0.337 418 N N 0.084 118.748 118.700 -0.060 0.000 3.283 418 N HA 0.250 4.992 4.740 0.002 0.000 0.338 418 N C 0.413 175.879 175.510 -0.073 0.000 1.517 418 N CA -0.663 52.359 53.050 -0.047 0.000 0.733 418 N CB 0.642 39.117 38.487 -0.019 0.000 1.797 418 N HN 0.384 nan 8.380 nan 0.000 0.637 419 K N -1.001 119.379 120.400 -0.033 0.000 2.076 419 K HA 0.005 4.326 4.320 0.002 0.000 0.204 419 K C 0.232 176.827 176.600 -0.007 0.000 1.051 419 K CA 1.084 57.360 56.287 -0.018 0.000 0.949 419 K CB -0.266 32.261 32.500 0.045 0.000 0.726 419 K HN 0.457 nan 8.250 nan 0.000 0.443 420 D N 1.063 121.466 120.400 0.006 0.000 2.265 420 D HA -0.161 4.481 4.640 0.002 0.000 0.208 420 D C 1.823 178.127 176.300 0.006 0.000 0.977 420 D CA 1.140 55.149 54.000 0.016 0.000 0.871 420 D CB 0.117 40.927 40.800 0.016 0.000 0.925 420 D HN 0.421 nan 8.370 nan 0.000 0.485 421 Q N -0.003 119.785 119.800 -0.019 0.000 2.123 421 Q HA -0.048 4.293 4.340 0.002 0.000 0.196 421 Q C 2.566 178.537 176.000 -0.048 0.000 0.958 421 Q CA 0.907 56.699 55.803 -0.020 0.000 0.841 421 Q CB 0.146 28.871 28.738 -0.022 0.000 0.915 421 Q HN 0.307 nan 8.270 nan 0.000 0.455 422 V N -1.031 118.796 119.914 -0.147 0.000 2.358 422 V HA -0.202 3.919 4.120 0.002 0.000 0.246 422 V C 2.169 178.212 176.094 -0.085 0.000 1.047 422 V CA 1.973 64.118 62.300 -0.258 0.000 1.035 422 V CB -1.622 29.751 31.823 -0.749 0.000 0.658 422 V HN 0.281 nan 8.190 nan 0.000 0.452 423 T N 0.380 114.942 114.554 0.013 0.000 2.665 423 T HA -0.255 4.096 4.350 0.002 0.000 0.268 423 T C 1.885 176.674 174.700 0.149 0.000 1.035 423 T CA 2.090 64.296 62.100 0.176 0.000 1.151 423 T CB -0.769 68.193 68.868 0.156 0.000 0.862 423 T HN 0.503 nan 8.240 nan 0.000 0.438 424 N N 0.851 119.605 118.700 0.090 0.000 2.013 424 N HA -0.070 4.672 4.740 0.002 0.000 0.195 424 N C 2.272 177.842 175.510 0.101 0.000 1.051 424 N CA 1.458 54.563 53.050 0.091 0.000 0.851 424 N CB -0.957 37.568 38.487 0.064 0.000 1.044 424 N HN 0.296 nan 8.380 nan 0.000 0.422 425 S N 0.616 116.354 115.700 0.064 0.000 2.393 425 S HA -0.168 4.304 4.470 0.002 0.000 0.234 425 S C 2.026 176.678 174.600 0.087 0.000 1.064 425 S CA 1.162 59.389 58.200 0.044 0.000 1.088 425 S CB -0.358 62.842 63.200 -0.001 0.000 0.939 425 S HN 0.269 nan 8.310 nan 0.000 0.448 426 I N 0.939 121.600 120.570 0.152 0.000 2.142 426 I HA -0.223 3.948 4.170 0.002 0.000 0.240 426 I C 2.733 178.991 176.117 0.236 0.000 1.078 426 I CA 1.251 62.686 61.300 0.225 0.000 1.343 426 I CB -0.910 37.314 38.000 0.372 0.000 1.046 426 I HN 0.350 nan 8.210 nan 0.000 0.405 427 A N 0.999 124.003 122.820 0.306 0.000 1.927 427 A HA -0.274 4.047 4.320 0.002 0.000 0.220 427 A C 2.528 180.241 177.584 0.215 0.000 1.185 427 A CA 2.363 54.621 52.037 0.368 0.000 0.639 427 A CB -0.895 18.277 19.000 0.287 0.000 0.820 427 A HN 0.496 nan 8.150 nan 0.000 0.451 428 A N -0.740 122.166 122.820 0.144 0.000 1.933 428 A HA 0.011 4.332 4.320 0.002 0.000 0.218 428 A C 2.122 179.748 177.584 0.070 0.000 1.175 428 A CA 1.708 53.802 52.037 0.095 0.000 0.628 428 A CB -0.623 18.411 19.000 0.057 0.000 0.814 428 A HN 0.782 nan 8.150 nan 0.000 0.444 429 L N 0.075 121.333 121.223 0.058 0.000 1.971 429 L HA -0.151 4.190 4.340 0.002 0.000 0.215 429 L C 2.663 179.549 176.870 0.027 0.000 1.072 429 L CA 2.450 57.308 54.840 0.030 0.000 0.758 429 L CB -1.120 40.957 42.059 0.031 0.000 0.889 429 L HN 0.380 nan 8.230 nan 0.000 0.433 430 A N -0.322 122.498 122.820 0.001 0.000 1.870 430 A HA -0.354 3.968 4.320 0.002 0.000 0.219 430 A C 2.343 179.973 177.584 0.077 0.000 1.224 430 A CA 2.723 54.729 52.037 -0.052 0.000 0.650 430 A CB -0.865 17.978 19.000 -0.261 0.000 0.836 430 A HN 0.573 nan 8.150 nan 0.000 0.454 431 K N -0.805 119.664 120.400 0.115 0.000 2.020 431 K HA -0.172 4.149 4.320 0.002 0.000 0.212 431 K C 2.518 179.215 176.600 0.162 0.000 1.050 431 K CA 1.612 57.998 56.287 0.165 0.000 0.929 431 K CB -0.365 32.224 32.500 0.148 0.000 0.714 431 K HN 0.452 nan 8.250 nan 0.000 0.443 432 S N 0.902 116.664 115.700 0.103 0.000 2.370 432 S HA -0.153 4.319 4.470 0.002 0.000 0.226 432 S C 1.875 176.518 174.600 0.072 0.000 1.033 432 S CA 1.099 59.343 58.200 0.073 0.000 1.011 432 S CB -0.226 62.994 63.200 0.034 0.000 0.852 432 S HN 0.234 nan 8.310 nan 0.000 0.457 433 L N 0.453 121.720 121.223 0.074 0.000 1.994 433 L HA -0.043 4.298 4.340 0.002 0.000 0.208 433 L C 2.018 178.942 176.870 0.090 0.000 1.071 433 L CA 2.110 56.983 54.840 0.055 0.000 0.745 433 L CB -1.133 40.956 42.059 0.050 0.000 0.892 433 L HN 0.447 nan 8.230 nan 0.000 0.431 434 Y N 0.222 120.561 120.300 0.065 0.000 2.193 434 Y HA -0.326 4.225 4.550 0.002 0.000 0.285 434 Y C 2.419 178.365 175.900 0.077 0.000 1.166 434 Y CA 2.218 60.378 58.100 0.100 0.000 1.181 434 Y CB -0.311 38.239 38.460 0.149 0.000 0.976 434 Y HN 0.481 nan 8.280 nan 0.000 0.520 435 D N -0.856 119.651 120.400 0.178 0.000 2.117 435 D HA -0.141 4.501 4.640 0.002 0.000 0.198 435 D C 2.068 178.403 176.300 0.058 0.000 0.982 435 D CA 1.419 55.482 54.000 0.105 0.000 0.828 435 D CB 0.003 40.861 40.800 0.098 0.000 0.967 435 D HN 0.287 nan 8.370 nan 0.000 0.464 436 R N -0.653 119.868 120.500 0.035 0.000 2.115 436 R HA 0.057 4.398 4.340 0.002 0.000 0.226 436 R C 2.456 178.763 176.300 0.011 0.000 1.100 436 R CA 0.715 56.830 56.100 0.024 0.000 0.980 436 R CB -0.203 30.098 30.300 0.002 0.000 0.875 436 R HN 0.286 nan 8.270 nan 0.000 0.445 437 M N -0.186 119.377 119.600 -0.063 0.000 2.086 437 M HA -0.174 4.307 4.480 0.002 0.000 0.261 437 M C 1.926 178.123 176.300 -0.170 0.000 1.067 437 M CA 1.745 56.964 55.300 -0.136 0.000 1.116 437 M CB -0.180 32.256 32.600 -0.274 0.000 1.348 437 M HN 0.107 nan 8.290 nan 0.000 0.407 438 F N 0.960 120.676 119.950 -0.390 0.000 2.186 438 F HA -0.202 4.326 4.527 0.002 0.000 0.299 438 F C 2.092 177.722 175.800 -0.284 0.000 1.090 438 F CA 1.285 59.031 58.000 -0.424 0.000 1.307 438 F CB -0.151 38.605 39.000 -0.407 0.000 1.019 438 F HN 0.187 nan 8.300 nan 0.000 0.489 439 N N -0.146 118.600 118.700 0.076 0.000 2.080 439 N HA -0.244 4.497 4.740 0.002 0.000 0.189 439 N C 1.621 177.064 175.510 -0.112 0.000 1.036 439 N CA 1.572 54.627 53.050 0.009 0.000 0.846 439 N CB -1.194 37.318 38.487 0.042 0.000 1.015 439 N HN 0.445 nan 8.380 nan 0.000 0.423 440 W N 2.339 123.517 121.300 -0.203 0.000 2.298 440 W HA -0.215 4.446 4.660 0.002 0.000 0.328 440 W C 2.319 178.655 176.519 -0.305 0.000 1.259 440 W CA 1.385 58.591 57.345 -0.231 0.000 1.251 440 W CB -0.968 28.360 29.460 -0.221 0.000 1.161 440 W HN 0.073 nan 8.180 nan 0.000 0.466 441 L N 0.355 121.334 121.223 -0.406 0.000 2.085 441 L HA -0.289 4.053 4.340 0.002 0.000 0.218 441 L C 2.231 178.692 176.870 -0.682 0.000 1.080 441 L CA 2.474 56.934 54.840 -0.634 0.000 0.776 441 L CB -1.357 40.260 42.059 -0.737 0.000 0.891 441 L HN 0.026 nan 8.230 nan 0.000 0.437 442 V N -0.778 118.758 119.914 -0.629 0.000 2.323 442 V HA -0.242 3.879 4.120 0.002 0.000 0.244 442 V C 2.684 178.535 176.094 -0.405 0.000 1.041 442 V CA 1.889 63.898 62.300 -0.484 0.000 1.025 442 V CB -0.602 30.989 31.823 -0.386 0.000 0.656 442 V HN 0.448 nan 8.190 nan 0.000 0.451 443 R N -0.482 119.758 120.500 -0.434 0.000 2.154 443 R HA -0.195 4.146 4.340 0.002 0.000 0.248 443 R C 2.582 178.614 176.300 -0.447 0.000 1.155 443 R CA 1.411 57.279 56.100 -0.388 0.000 0.979 443 R CB -0.151 29.913 30.300 -0.394 0.000 0.869 443 R HN 0.342 nan 8.270 nan 0.000 0.452 444 R N -0.131 119.975 120.500 -0.657 0.000 2.061 444 R HA -0.094 4.247 4.340 0.002 0.000 0.230 444 R C 2.351 178.525 176.300 -0.210 0.000 1.140 444 R CA 1.630 57.375 56.100 -0.593 0.000 0.940 444 R CB -1.237 28.524 30.300 -0.898 0.000 0.839 444 R HN 0.292 nan 8.270 nan 0.000 0.429 445 V N 0.253 120.046 119.914 -0.201 0.000 2.568 445 V HA -0.193 3.929 4.120 0.002 0.000 0.253 445 V C 1.798 177.839 176.094 -0.089 0.000 1.072 445 V CA 1.881 64.121 62.300 -0.099 0.000 1.084 445 V CB -0.616 31.122 31.823 -0.141 0.000 0.676 445 V HN 0.104 nan 8.190 nan 0.000 0.469 446 N N 0.598 119.216 118.700 -0.137 0.000 2.188 446 N HA -0.143 4.598 4.740 0.002 0.000 0.184 446 N C 2.025 177.486 175.510 -0.082 0.000 1.018 446 N CA 1.879 54.864 53.050 -0.109 0.000 0.858 446 N CB -0.321 38.087 38.487 -0.132 0.000 0.989 446 N HN 0.686 nan 8.380 nan 0.000 0.426 447 Q N -0.315 119.433 119.800 -0.085 0.000 2.119 447 Q HA -0.024 4.317 4.340 0.002 0.000 0.201 447 Q C 1.738 177.754 176.000 0.027 0.000 0.972 447 Q CA 1.198 56.982 55.803 -0.032 0.000 0.847 447 Q CB -0.091 28.623 28.738 -0.040 0.000 0.903 447 Q HN 0.273 nan 8.270 nan 0.000 0.433 448 T N 1.072 115.658 114.554 0.053 0.000 2.788 448 T HA -0.084 4.267 4.350 0.002 0.000 0.268 448 T C 1.703 176.390 174.700 -0.022 0.000 1.044 448 T CA 0.861 62.971 62.100 0.017 0.000 1.139 448 T CB -0.039 68.825 68.868 -0.007 0.000 0.867 448 T HN 0.179 nan 8.240 nan 0.000 0.454 449 L N 0.514 121.719 121.223 -0.030 0.000 2.162 449 L HA 0.068 4.410 4.340 0.002 0.000 0.205 449 L C 1.801 178.648 176.870 -0.039 0.000 1.086 449 L CA 0.618 55.437 54.840 -0.035 0.000 0.778 449 L CB -0.339 41.699 42.059 -0.036 0.000 0.928 449 L HN 0.089 nan 8.230 nan 0.000 0.446 450 D N 1.212 121.585 120.400 -0.045 0.000 2.629 450 D HA -0.078 4.564 4.640 0.002 0.000 0.259 450 D C 0.040 176.312 176.300 -0.047 0.000 1.305 450 D CA 0.142 54.109 54.000 -0.055 0.000 0.937 450 D CB -0.274 40.488 40.800 -0.063 0.000 1.055 450 D HN 0.144 nan 8.370 nan 0.000 0.471 451 T N -0.074 114.456 114.554 -0.041 0.000 4.104 451 T HA 0.135 4.486 4.350 0.002 0.000 0.285 451 T C 0.584 175.258 174.700 -0.044 0.000 1.346 451 T CA -0.634 61.443 62.100 -0.038 0.000 1.158 451 T CB 0.030 68.878 68.868 -0.034 0.000 1.290 451 T HN 0.293 nan 8.240 nan 0.000 0.975 452 K N 0.455 120.824 120.400 -0.052 0.000 2.267 452 K HA 0.871 5.192 4.320 0.002 0.000 0.236 452 K C 0.315 176.884 176.600 -0.052 0.000 1.030 452 K CA -1.041 55.210 56.287 -0.060 0.000 0.930 452 K CB 1.263 33.711 32.500 -0.088 0.000 1.182 452 K HN 0.152 nan 8.250 nan 0.000 0.474 453 A N 0.439 123.226 122.820 -0.055 0.000 2.385 453 A HA 0.360 4.681 4.320 0.002 0.000 0.209 453 A C -0.708 176.842 177.584 -0.056 0.000 2.123 453 A CA -0.096 51.915 52.037 -0.045 0.000 1.674 453 A CB 0.140 19.119 19.000 -0.034 0.000 1.212 453 A HN 0.636 nan 8.150 nan 0.000 0.422 454 K N 0.664 121.031 120.400 -0.056 0.000 2.507 454 K HA 0.487 4.808 4.320 0.002 0.000 0.251 454 K C -1.257 175.297 176.600 -0.077 0.000 0.943 454 K CA -0.427 55.819 56.287 -0.069 0.000 0.794 454 K CB 1.465 33.932 32.500 -0.055 0.000 1.188 454 K HN 0.531 nan 8.250 nan 0.000 0.428 455 R N 2.413 122.848 120.500 -0.108 0.000 2.457 455 R HA 0.177 4.519 4.340 0.002 0.000 0.284 455 R C 0.264 176.505 176.300 -0.099 0.000 1.024 455 R CA -0.589 55.456 56.100 -0.092 0.000 1.025 455 R CB 1.393 31.545 30.300 -0.246 0.000 1.063 455 R HN 0.568 nan 8.270 nan 0.000 0.493 456 Q N 0.738 120.451 119.800 -0.144 0.000 2.445 456 Q HA 0.271 4.612 4.340 0.002 0.000 0.257 456 Q C -0.896 174.757 176.000 -0.578 0.000 0.806 456 Q CA 0.850 56.351 55.803 -0.505 0.000 0.987 456 Q CB 0.790 28.995 28.738 -0.887 0.000 1.248 456 Q HN 0.487 nan 8.270 nan 0.000 0.542 457 F N -0.792 119.316 119.950 0.263 0.000 2.824 457 F HA 0.681 5.210 4.527 0.002 0.000 0.330 457 F C -0.778 175.260 175.800 0.397 0.000 1.175 457 F CA -1.524 56.605 58.000 0.215 0.000 0.974 457 F CB 1.115 40.161 39.000 0.076 0.000 1.430 457 F HN -0.066 nan 8.300 nan 0.000 0.507 458 F N -0.973 119.177 119.950 0.334 0.000 2.719 458 F HA 0.761 5.290 4.527 0.002 0.000 0.309 458 F C -2.090 173.720 175.800 0.017 0.000 1.138 458 F CA -1.514 56.520 58.000 0.057 0.000 0.943 458 F CB 1.252 40.092 39.000 -0.267 0.000 1.304 458 F HN 0.289 nan 8.300 nan 0.000 0.445 459 I N 2.462 123.177 120.570 0.242 0.000 2.521 459 I HA 0.505 4.676 4.170 0.002 0.000 0.277 459 I C 0.290 176.483 176.117 0.127 0.000 1.054 459 I CA -0.644 60.709 61.300 0.089 0.000 1.117 459 I CB 1.297 39.175 38.000 -0.204 0.000 1.217 459 I HN 1.002 nan 8.210 nan 0.000 0.469 460 G N 4.658 113.541 108.800 0.138 0.000 2.476 460 G HA2 0.593 4.554 3.960 0.002 0.000 0.286 460 G HA3 0.593 4.554 3.960 0.002 0.000 0.286 460 G C -0.645 174.301 174.900 0.076 0.000 1.177 460 G CA -0.266 44.602 45.100 -0.387 0.000 0.870 460 G HN 0.259 nan 8.290 nan 0.000 0.528 461 V N 1.212 121.175 119.914 0.082 0.000 2.588 461 V HA 0.445 4.566 4.120 0.002 0.000 0.304 461 V C -0.604 175.821 176.094 0.553 0.000 1.042 461 V CA -0.724 61.769 62.300 0.321 0.000 0.877 461 V CB 1.478 33.426 31.823 0.210 0.000 0.996 461 V HN 0.667 nan 8.190 nan 0.000 0.425 462 L N 4.123 125.626 121.223 0.468 0.000 2.313 462 L HA 0.700 5.041 4.340 0.002 0.000 0.283 462 L C -0.662 176.292 176.870 0.139 0.000 1.013 462 L CA 0.230 55.252 54.840 0.303 0.000 0.816 462 L CB 1.589 43.617 42.059 -0.050 0.000 1.236 462 L HN 0.734 nan 8.230 nan 0.000 0.419 463 D N 5.252 125.717 120.400 0.109 0.000 2.440 463 D HA 0.307 4.948 4.640 0.002 0.000 0.239 463 D C -0.725 175.561 176.300 -0.024 0.000 1.084 463 D CA -0.173 53.846 54.000 0.032 0.000 0.843 463 D CB 1.410 42.218 40.800 0.012 0.000 1.097 463 D HN 0.509 nan 8.370 nan 0.000 0.531 464 I N 2.614 123.164 120.570 -0.034 0.000 4.030 464 I HA 0.604 4.775 4.170 0.002 0.000 0.248 464 I C 1.263 177.347 176.117 -0.054 0.000 1.284 464 I CA -0.473 60.793 61.300 -0.057 0.000 1.223 464 I CB 1.223 39.184 38.000 -0.065 0.000 1.446 464 I HN 0.438 nan 8.210 nan 0.000 0.519 465 A N -0.219 122.576 122.820 -0.043 0.000 2.478 465 A HA 0.696 5.017 4.320 0.002 0.000 0.210 465 A C 0.847 178.428 177.584 -0.006 0.000 1.728 465 A CA 1.094 53.112 52.037 -0.032 0.000 0.622 465 A CB -1.180 17.796 19.000 -0.040 0.000 1.231 465 A HN 1.079 nan 8.150 nan 0.000 0.497 466 G N -2.543 106.257 108.800 -0.000 0.000 2.566 466 G HA2 0.372 4.334 3.960 0.002 0.000 0.138 466 G HA3 0.372 4.334 3.960 0.002 0.000 0.138 466 G C -1.518 173.422 174.900 0.067 0.000 1.133 466 G CA 0.021 45.151 45.100 0.050 0.000 1.037 466 G HN 1.010 nan 8.290 nan 0.000 0.491 467 F N 2.109 122.026 119.950 -0.055 0.000 2.579 467 F HA 0.652 5.181 4.527 0.002 0.000 0.325 467 F C -0.516 175.177 175.800 -0.177 0.000 1.162 467 F CA -0.618 57.311 58.000 -0.119 0.000 0.946 467 F CB 1.718 40.641 39.000 -0.130 0.000 1.211 467 F HN 0.399 nan 8.300 nan 0.000 0.447 468 E N 6.943 126.795 120.200 -0.581 0.000 2.216 468 E HA 0.573 4.924 4.350 0.002 0.000 0.279 468 E C -0.879 175.372 176.600 -0.582 0.000 0.997 468 E CA -0.696 55.357 56.400 -0.578 0.000 0.817 468 E CB 2.463 31.609 29.700 -0.924 0.000 1.096 468 E HN 0.497 nan 8.360 nan 0.000 0.393 469 I N 3.808 124.172 120.570 -0.343 0.000 2.534 469 I HA 0.343 4.515 4.170 0.002 0.000 0.286 469 I C -0.752 175.356 176.117 -0.014 0.000 1.094 469 I CA -0.416 60.796 61.300 -0.147 0.000 1.055 469 I CB 0.762 38.860 38.000 0.162 0.000 1.225 469 I HN 0.467 nan 8.210 nan 0.000 0.435 470 F N 3.072 123.000 119.950 -0.037 0.000 2.671 470 F HA 0.387 4.915 4.527 0.002 0.000 0.373 470 F C 1.146 176.939 175.800 -0.013 0.000 1.122 470 F CA -0.989 57.003 58.000 -0.013 0.000 1.082 470 F CB 1.452 40.464 39.000 0.020 0.000 1.399 470 F HN 0.370 nan 8.300 nan 0.000 0.509 471 D N 0.053 120.600 120.400 0.246 0.000 2.277 471 D HA -0.049 4.592 4.640 0.002 0.000 0.208 471 D C -0.401 176.033 176.300 0.224 0.000 0.962 471 D CA 1.428 55.521 54.000 0.155 0.000 0.865 471 D CB 0.278 41.145 40.800 0.112 0.000 0.939 471 D HN 0.109 nan 8.370 nan 0.000 0.510 472 F N 2.137 122.166 119.950 0.132 0.000 2.610 472 F HA 0.278 4.806 4.527 0.002 0.000 0.355 472 F C -0.953 174.981 175.800 0.224 0.000 1.140 472 F CA -1.012 57.067 58.000 0.133 0.000 1.037 472 F CB 0.620 39.687 39.000 0.111 0.000 1.287 472 F HN -0.334 nan 8.300 nan 0.000 0.457 473 N N 4.486 123.005 118.700 -0.303 0.000 2.419 473 N HA 0.330 5.072 4.740 0.002 0.000 0.277 473 N C -0.743 174.667 175.510 -0.167 0.000 1.006 473 N CA -0.264 52.679 53.050 -0.179 0.000 0.923 473 N CB 2.085 40.384 38.487 -0.314 0.000 1.140 473 N HN 0.513 nan 8.380 nan 0.000 0.488 474 S N 0.564 116.291 115.700 0.044 0.000 2.874 474 S HA 0.346 4.818 4.470 0.002 0.000 0.318 474 S C 0.788 175.472 174.600 0.139 0.000 1.109 474 S CA -0.590 57.791 58.200 0.302 0.000 0.878 474 S CB 0.352 63.761 63.200 0.349 0.000 1.307 474 S HN 0.423 nan 8.310 nan 0.000 0.592 475 F N 1.995 121.673 119.950 -0.452 0.000 2.204 475 F HA -0.173 4.355 4.527 0.002 0.000 0.301 475 F C 1.669 177.144 175.800 -0.542 0.000 1.058 475 F CA 2.483 59.727 58.000 -1.260 0.000 1.313 475 F CB -0.312 37.744 39.000 -1.573 0.000 1.051 475 F HN 0.625 nan 8.300 nan 0.000 0.505 476 E N -0.447 119.524 120.200 -0.381 0.000 2.051 476 E HA -0.170 4.181 4.350 0.002 0.000 0.189 476 E C 2.106 178.536 176.600 -0.284 0.000 0.979 476 E CA 1.204 57.426 56.400 -0.297 0.000 0.803 476 E CB -0.359 29.326 29.700 -0.025 0.000 0.761 476 E HN 0.354 nan 8.360 nan 0.000 0.451 477 Q N 0.355 120.045 119.800 -0.183 0.000 2.050 477 Q HA -0.112 4.229 4.340 0.002 0.000 0.202 477 Q C 2.140 178.014 176.000 -0.210 0.000 0.980 477 Q CA 0.888 56.563 55.803 -0.213 0.000 0.840 477 Q CB -0.475 28.164 28.738 -0.165 0.000 0.898 477 Q HN 0.210 nan 8.270 nan 0.000 0.424 478 L N -0.128 120.977 121.223 -0.197 0.000 1.990 478 L HA -0.267 4.074 4.340 0.002 0.000 0.213 478 L C 2.129 178.791 176.870 -0.347 0.000 1.072 478 L CA 1.866 56.481 54.840 -0.374 0.000 0.755 478 L CB -0.896 40.778 42.059 -0.643 0.000 0.889 478 L HN 0.346 nan 8.230 nan 0.000 0.432 479 C N -0.471 118.502 119.300 -0.545 0.000 2.376 479 C HA -0.243 4.218 4.460 0.002 0.000 0.275 479 C C 2.730 177.659 174.990 -0.102 0.000 1.200 479 C CA 1.404 60.154 59.018 -0.446 0.000 1.756 479 C CB -0.980 26.507 27.740 -0.422 0.000 2.050 479 C HN 0.622 nan 8.230 nan 0.000 0.460 480 I N 0.953 121.457 120.570 -0.111 0.000 2.226 480 I HA -0.200 3.972 4.170 0.002 0.000 0.245 480 I C 2.116 178.136 176.117 -0.161 0.000 1.100 480 I CA 1.490 62.733 61.300 -0.095 0.000 1.374 480 I CB -0.448 37.441 38.000 -0.186 0.000 1.057 480 I HN 0.421 nan 8.210 nan 0.000 0.413 481 N N -0.026 118.483 118.700 -0.319 0.000 2.223 481 N HA -0.241 4.500 4.740 0.002 0.000 0.185 481 N C 1.733 177.306 175.510 0.105 0.000 1.016 481 N CA 1.086 53.902 53.050 -0.389 0.000 0.863 481 N CB -0.495 37.501 38.487 -0.817 0.000 0.983 481 N HN 0.406 nan 8.380 nan 0.000 0.429 482 Y N 1.905 122.191 120.300 -0.024 0.000 2.224 482 Y HA -0.120 4.432 4.550 0.002 0.000 0.289 482 Y C 2.124 178.075 175.900 0.085 0.000 1.146 482 Y CA 1.303 59.434 58.100 0.052 0.000 1.182 482 Y CB -0.762 37.635 38.460 -0.106 0.000 0.983 482 Y HN -0.053 nan 8.280 nan 0.000 0.524 483 T N 1.048 115.578 114.554 -0.040 0.000 2.701 483 T HA -0.159 4.192 4.350 0.002 0.000 0.263 483 T C 1.805 176.512 174.700 0.012 0.000 1.040 483 T CA 1.541 63.580 62.100 -0.101 0.000 1.147 483 T CB -0.307 68.556 68.868 -0.009 0.000 0.865 483 T HN 0.466 nan 8.240 nan 0.000 0.426 484 N N 0.527 119.295 118.700 0.114 0.000 2.166 484 N HA -0.129 4.612 4.740 0.002 0.000 0.186 484 N C 1.989 177.687 175.510 0.313 0.000 1.019 484 N CA 1.015 54.204 53.050 0.232 0.000 0.856 484 N CB -0.137 38.580 38.487 0.384 0.000 0.993 484 N HN 0.365 nan 8.380 nan 0.000 0.426 485 E N 1.614 122.076 120.200 0.437 0.000 2.049 485 E HA -0.138 4.213 4.350 0.002 0.000 0.198 485 E C 1.754 178.492 176.600 0.229 0.000 1.007 485 E CA 1.388 58.057 56.400 0.449 0.000 0.809 485 E CB 0.004 30.003 29.700 0.498 0.000 0.749 485 E HN 0.227 nan 8.360 nan 0.000 0.450 486 R N -0.404 120.188 120.500 0.152 0.000 2.237 486 R HA -0.034 4.307 4.340 0.002 0.000 0.219 486 R C 2.261 178.628 176.300 0.112 0.000 1.080 486 R CA 0.739 56.904 56.100 0.108 0.000 0.995 486 R CB -0.123 30.170 30.300 -0.013 0.000 0.875 486 R HN 0.289 nan 8.270 nan 0.000 0.462 487 L N -0.287 120.988 121.223 0.087 0.000 2.168 487 L HA -0.089 4.252 4.340 0.002 0.000 0.203 487 L C 2.521 179.512 176.870 0.201 0.000 1.078 487 L CA 0.709 55.612 54.840 0.106 0.000 0.780 487 L CB -0.263 41.834 42.059 0.063 0.000 0.939 487 L HN 0.035 nan 8.230 nan 0.000 0.451 488 Q N 0.499 120.317 119.800 0.030 0.000 2.124 488 Q HA -0.278 4.063 4.340 0.002 0.000 0.202 488 Q C 2.084 178.149 176.000 0.109 0.000 0.977 488 Q CA 1.829 57.564 55.803 -0.114 0.000 0.850 488 Q CB -0.213 28.062 28.738 -0.770 0.000 0.901 488 Q HN 0.413 nan 8.270 nan 0.000 0.429 489 Q N -1.174 118.716 119.800 0.150 0.000 2.061 489 Q HA -0.199 4.143 4.340 0.002 0.000 0.204 489 Q C 1.888 178.094 176.000 0.344 0.000 0.984 489 Q CA 1.683 57.622 55.803 0.227 0.000 0.846 489 Q CB -0.425 28.451 28.738 0.230 0.000 0.902 489 Q HN 0.511 nan 8.270 nan 0.000 0.421 490 F N 0.642 120.711 119.950 0.199 0.000 2.120 490 F HA -0.272 4.256 4.527 0.002 0.000 0.300 490 F C 1.730 177.667 175.800 0.228 0.000 1.095 490 F CA 1.730 59.816 58.000 0.142 0.000 1.249 490 F CB -0.573 38.339 39.000 -0.147 0.000 0.995 490 F HN 0.253 nan 8.300 nan 0.000 0.480 491 F N 1.526 121.539 119.950 0.105 0.000 2.039 491 F HA -0.180 4.348 4.527 0.002 0.000 0.294 491 F C 2.258 177.992 175.800 -0.110 0.000 1.130 491 F CA 2.148 60.032 58.000 -0.193 0.000 1.189 491 F CB -1.171 37.638 39.000 -0.318 0.000 0.983 491 F HN -0.091 nan 8.300 nan 0.000 0.471 492 N N -0.018 118.677 118.700 -0.007 0.000 2.089 492 N HA -0.333 4.409 4.740 0.002 0.000 0.198 492 N C 1.847 177.378 175.510 0.034 0.000 1.017 492 N CA 2.053 55.094 53.050 -0.015 0.000 0.880 492 N CB -1.104 37.491 38.487 0.180 0.000 1.042 492 N HN 0.544 nan 8.380 nan 0.000 0.446 493 H N -0.665 118.418 119.070 0.021 0.000 2.352 493 H HA -0.102 4.455 4.556 0.002 0.000 0.299 493 H C 2.119 177.447 175.328 -0.000 0.000 1.097 493 H CA 2.201 58.296 56.048 0.079 0.000 1.311 493 H CB -0.368 29.494 29.762 0.166 0.000 1.377 493 H HN 0.436 nan 8.280 nan 0.000 0.504 494 H N -0.546 118.313 119.070 -0.351 0.000 2.293 494 H HA -0.129 4.428 4.556 0.002 0.000 0.300 494 H C 2.558 177.596 175.328 -0.483 0.000 1.082 494 H CA 2.039 57.794 56.048 -0.488 0.000 1.308 494 H CB -0.367 29.088 29.762 -0.512 0.000 1.375 494 H HN 0.404 nan 8.280 nan 0.000 0.495 495 M N -0.922 118.324 119.600 -0.590 0.000 2.088 495 M HA -0.228 4.253 4.480 0.002 0.000 0.256 495 M C 1.972 178.145 176.300 -0.211 0.000 1.071 495 M CA 2.156 57.155 55.300 -0.502 0.000 1.097 495 M CB -0.357 31.879 32.600 -0.607 0.000 1.315 495 M HN 0.398 nan 8.290 nan 0.000 0.406 496 F N 0.324 120.232 119.950 -0.070 0.000 2.091 496 F HA -0.248 4.280 4.527 0.002 0.000 0.299 496 F C 1.856 177.399 175.800 -0.428 0.000 1.103 496 F CA 2.109 60.054 58.000 -0.090 0.000 1.228 496 F CB -0.749 38.120 39.000 -0.219 0.000 0.984 496 F HN -0.021 nan 8.300 nan 0.000 0.477 497 V N 0.611 120.165 119.914 -0.601 0.000 2.407 497 V HA -0.288 3.834 4.120 0.002 0.000 0.248 497 V C 2.467 178.142 176.094 -0.699 0.000 1.055 497 V CA 1.857 63.723 62.300 -0.724 0.000 1.049 497 V CB -0.816 30.633 31.823 -0.625 0.000 0.662 497 V HN 0.396 nan 8.190 nan 0.000 0.455 498 L N -0.634 120.191 121.223 -0.663 0.000 2.034 498 L HA -0.051 4.290 4.340 0.002 0.000 0.203 498 L C 2.733 179.329 176.870 -0.458 0.000 1.074 498 L CA 1.255 55.780 54.840 -0.526 0.000 0.748 498 L CB -0.728 41.040 42.059 -0.486 0.000 0.905 498 L HN 0.223 nan 8.230 nan 0.000 0.439 499 E N 0.129 120.063 120.200 -0.442 0.000 2.219 499 E HA -0.310 4.041 4.350 0.002 0.000 0.198 499 E C 2.009 178.129 176.600 -0.800 0.000 0.998 499 E CA 1.245 57.407 56.400 -0.396 0.000 0.818 499 E CB -0.123 29.427 29.700 -0.250 0.000 0.741 499 E HN 0.527 nan 8.360 nan 0.000 0.477 500 Q N 0.360 119.472 119.800 -1.146 0.000 2.083 500 Q HA -0.140 4.201 4.340 0.002 0.000 0.198 500 Q C 1.879 177.477 176.000 -0.668 0.000 0.969 500 Q CA 1.053 56.043 55.803 -1.356 0.000 0.838 500 Q CB 0.184 28.059 28.738 -1.437 0.000 0.900 500 Q HN 0.311 nan 8.270 nan 0.000 0.436 501 E N 0.111 120.021 120.200 -0.482 0.000 2.047 501 E HA -0.224 4.127 4.350 0.002 0.000 0.191 501 E C 1.874 178.376 176.600 -0.163 0.000 0.987 501 E CA 1.059 57.291 56.400 -0.280 0.000 0.799 501 E CB 0.001 29.552 29.700 -0.247 0.000 0.752 501 E HN 0.241 nan 8.360 nan 0.000 0.449 502 E N 0.450 120.573 120.200 -0.128 0.000 2.086 502 E HA -0.246 4.105 4.350 0.002 0.000 0.200 502 E C 1.731 178.399 176.600 0.113 0.000 1.012 502 E CA 1.533 57.949 56.400 0.026 0.000 0.812 502 E CB -0.315 29.446 29.700 0.102 0.000 0.743 502 E HN 0.290 nan 8.360 nan 0.000 0.453 503 Y N 0.569 120.779 120.300 -0.149 0.000 2.145 503 Y HA -0.131 4.421 4.550 0.002 0.000 0.286 503 Y C 2.376 178.187 175.900 -0.148 0.000 1.145 503 Y CA 1.773 59.777 58.100 -0.160 0.000 1.148 503 Y CB -0.491 37.920 38.460 -0.082 0.000 0.981 503 Y HN 0.082 nan 8.280 nan 0.000 0.507 504 K N 0.840 121.248 120.400 0.013 0.000 2.097 504 K HA -0.216 4.105 4.320 0.002 0.000 0.206 504 K C 2.221 178.799 176.600 -0.038 0.000 1.049 504 K CA 1.457 57.726 56.287 -0.029 0.000 0.933 504 K CB -0.160 32.298 32.500 -0.070 0.000 0.717 504 K HN 0.159 nan 8.250 nan 0.000 0.442 505 K N 0.409 120.787 120.400 -0.037 0.000 2.209 505 K HA -0.141 4.180 4.320 0.002 0.000 0.204 505 K C 0.883 177.471 176.600 -0.021 0.000 1.048 505 K CA 1.352 57.621 56.287 -0.029 0.000 0.940 505 K CB 0.209 32.696 32.500 -0.023 0.000 0.729 505 K HN 0.193 nan 8.250 nan 0.000 0.451 506 E N -0.883 119.300 120.200 -0.028 0.000 2.476 506 E HA 0.053 4.405 4.350 0.002 0.000 0.199 506 E C 0.720 177.275 176.600 -0.076 0.000 1.021 506 E CA 0.659 57.036 56.400 -0.038 0.000 0.907 506 E CB 0.910 30.601 29.700 -0.015 0.000 0.974 506 E HN 0.515 nan 8.360 nan 0.000 0.489 507 G N 2.199 110.956 108.800 -0.072 0.000 2.182 507 G HA2 -0.250 3.711 3.960 0.002 0.000 0.248 507 G HA3 -0.250 3.711 3.960 0.002 0.000 0.248 507 G C 0.273 175.114 174.900 -0.098 0.000 1.042 507 G CA 0.134 45.197 45.100 -0.061 0.000 0.775 507 G HN 0.205 nan 8.290 nan 0.000 0.501 508 I N 0.207 120.683 120.570 -0.156 0.000 2.488 508 I HA 0.302 4.473 4.170 0.002 0.000 0.299 508 I C 1.058 177.197 176.117 0.035 0.000 0.984 508 I CA -0.901 60.273 61.300 -0.210 0.000 1.250 508 I CB 1.666 39.278 38.000 -0.647 0.000 1.389 508 I HN -0.153 nan 8.210 nan 0.000 0.488 509 V N 5.562 125.508 119.914 0.053 0.000 2.479 509 V HA -0.033 4.088 4.120 0.002 0.000 0.281 509 V C -0.116 176.144 176.094 0.277 0.000 1.031 509 V CA -0.085 62.291 62.300 0.127 0.000 1.038 509 V CB 0.641 32.487 31.823 0.039 0.000 0.981 509 V HN 0.637 nan 8.190 nan 0.000 0.478 510 W N 6.856 128.178 121.300 0.037 0.000 2.311 510 W HA 0.350 5.011 4.660 0.002 0.000 0.317 510 W C 0.187 176.671 176.519 -0.059 0.000 1.065 510 W CA -0.771 56.562 57.345 -0.021 0.000 1.364 510 W CB 0.975 30.376 29.460 -0.097 0.000 1.233 510 W HN 0.744 nan 8.180 nan 0.000 0.409 511 E N 6.179 125.990 120.200 -0.649 0.000 2.674 511 E HA 0.253 4.604 4.350 0.002 0.000 0.240 511 E C -1.202 174.651 176.600 -1.246 0.000 1.213 511 E CA -0.306 55.653 56.400 -0.734 0.000 1.357 511 E CB -0.005 29.330 29.700 -0.608 0.000 1.467 511 E HN 0.218 nan 8.360 nan 0.000 0.448 512 F N 0.800 120.158 119.950 -0.987 0.000 2.608 512 F HA 0.420 4.948 4.527 0.002 0.000 0.309 512 F C -0.454 175.243 175.800 -0.172 0.000 1.103 512 F CA -1.294 56.274 58.000 -0.721 0.000 0.954 512 F CB 2.132 40.395 39.000 -1.229 0.000 1.267 512 F HN 0.143 nan 8.300 nan 0.000 0.444 513 I N 2.810 123.432 120.570 0.086 0.000 2.385 513 I HA 0.194 4.365 4.170 0.002 0.000 0.294 513 I C 0.022 175.825 176.117 -0.524 0.000 0.988 513 I CA -0.426 60.818 61.300 -0.093 0.000 1.265 513 I CB 0.768 38.724 38.000 -0.074 0.000 1.388 513 I HN 0.544 nan 8.210 nan 0.000 0.480 514 D N 5.349 125.087 120.400 -1.104 0.000 2.973 514 D HA -0.230 4.411 4.640 0.002 0.000 0.214 514 D C 0.646 176.393 176.300 -0.921 0.000 1.079 514 D CA 0.913 53.775 54.000 -1.897 0.000 0.797 514 D CB 0.440 40.678 40.800 -0.936 0.000 1.168 514 D HN 0.369 nan 8.370 nan 0.000 0.515 515 F N 2.198 121.874 119.950 -0.456 0.000 2.325 515 F HA 0.075 4.603 4.527 0.002 0.000 0.299 515 F C 2.532 178.293 175.800 -0.064 0.000 1.090 515 F CA 0.741 58.664 58.000 -0.127 0.000 1.392 515 F CB -0.712 38.273 39.000 -0.026 0.000 1.053 515 F HN 0.534 nan 8.300 nan 0.000 0.521 516 G N 0.712 109.566 108.800 0.090 0.000 2.469 516 G HA2 -0.242 3.719 3.960 0.002 0.000 0.220 516 G HA3 -0.242 3.719 3.960 0.002 0.000 0.220 516 G C 1.759 176.699 174.900 0.066 0.000 1.136 516 G CA 0.854 46.023 45.100 0.115 0.000 0.759 516 G HN 0.364 nan 8.290 nan 0.000 0.562 517 L N 0.648 121.866 121.223 -0.010 0.000 2.261 517 L HA -0.080 4.261 4.340 0.002 0.000 0.216 517 L C 1.923 178.826 176.870 0.055 0.000 1.114 517 L CA 0.857 55.698 54.840 0.003 0.000 0.777 517 L CB -0.354 41.676 42.059 -0.049 0.000 0.910 517 L HN 0.103 nan 8.230 nan 0.000 0.440 518 D N 0.014 120.468 120.400 0.089 0.000 2.378 518 D HA -0.055 4.586 4.640 0.002 0.000 0.222 518 D C 1.970 178.354 176.300 0.139 0.000 0.980 518 D CA 0.932 55.005 54.000 0.121 0.000 0.907 518 D CB 0.239 41.127 40.800 0.146 0.000 0.899 518 D HN 0.389 nan 8.370 nan 0.000 0.527 519 L N -0.270 121.031 121.223 0.130 0.000 2.664 519 L HA 0.104 4.445 4.340 0.002 0.000 0.233 519 L C 2.016 178.964 176.870 0.130 0.000 1.113 519 L CA 0.029 54.955 54.840 0.143 0.000 0.896 519 L CB 0.143 42.300 42.059 0.163 0.000 1.163 519 L HN -0.124 nan 8.230 nan 0.000 0.497 520 Q N 1.486 121.349 119.800 0.105 0.000 2.170 520 Q HA -0.141 4.200 4.340 0.002 0.000 0.203 520 Q C 2.206 178.257 176.000 0.086 0.000 0.976 520 Q CA 1.982 57.839 55.803 0.091 0.000 0.858 520 Q CB -0.011 28.763 28.738 0.059 0.000 0.907 520 Q HN 0.434 nan 8.270 nan 0.000 0.433 521 A N 0.029 122.901 122.820 0.086 0.000 1.842 521 A HA -0.287 4.034 4.320 0.002 0.000 0.217 521 A C 2.503 180.131 177.584 0.073 0.000 1.206 521 A CA 1.679 53.764 52.037 0.080 0.000 0.630 521 A CB -1.675 17.383 19.000 0.097 0.000 0.839 521 A HN 0.654 nan 8.150 nan 0.000 0.447 522 C N -0.368 118.976 119.300 0.073 0.000 2.367 522 C HA -0.184 4.278 4.460 0.002 0.000 0.276 522 C C 2.612 177.638 174.990 0.061 0.000 1.195 522 C CA 1.337 60.372 59.018 0.029 0.000 1.756 522 C CB -1.613 26.098 27.740 -0.049 0.000 2.046 522 C HN 0.593 nan 8.230 nan 0.000 0.453 523 I N 0.432 121.076 120.570 0.125 0.000 2.143 523 I HA -0.306 3.866 4.170 0.002 0.000 0.245 523 I C 2.613 178.794 176.117 0.108 0.000 1.068 523 I CA 2.330 63.741 61.300 0.186 0.000 1.326 523 I CB -0.805 37.323 38.000 0.215 0.000 1.028 523 I HN 0.545 nan 8.210 nan 0.000 0.412 524 E N 0.347 120.594 120.200 0.078 0.000 2.077 524 E HA -0.253 4.098 4.350 0.002 0.000 0.193 524 E C 2.062 178.665 176.600 0.005 0.000 0.989 524 E CA 1.068 57.496 56.400 0.048 0.000 0.800 524 E CB -0.174 29.555 29.700 0.050 0.000 0.746 524 E HN 0.291 nan 8.360 nan 0.000 0.452 525 L N 0.715 121.931 121.223 -0.012 0.000 2.549 525 L HA -0.110 4.231 4.340 0.002 0.000 0.230 525 L C 1.521 178.326 176.870 -0.109 0.000 1.162 525 L CA 1.239 56.027 54.840 -0.086 0.000 0.834 525 L CB 0.044 42.069 42.059 -0.057 0.000 0.947 525 L HN 0.114 nan 8.230 nan 0.000 0.452 526 I N -1.979 118.530 120.570 -0.102 0.000 3.136 526 I HA -0.046 4.126 4.170 0.002 0.000 0.262 526 I C 2.059 178.030 176.117 -0.243 0.000 1.132 526 I CA 0.322 61.495 61.300 -0.211 0.000 1.450 526 I CB -0.012 37.749 38.000 -0.399 0.000 1.315 526 I HN 0.110 nan 8.210 nan 0.000 0.460 527 E N 0.817 120.897 120.200 -0.200 0.000 2.016 527 E HA -0.075 4.276 4.350 0.002 0.000 0.190 527 E C 0.332 176.926 176.600 -0.009 0.000 0.985 527 E CA 0.451 56.799 56.400 -0.087 0.000 0.802 527 E CB -0.071 29.663 29.700 0.056 0.000 0.762 527 E HN 0.085 nan 8.360 nan 0.000 0.448 528 K N 2.158 122.565 120.400 0.013 0.000 2.513 528 K HA -0.045 4.277 4.320 0.002 0.000 0.275 528 K C -2.397 174.227 176.600 0.040 0.000 1.025 528 K CA -0.542 55.765 56.287 0.033 0.000 1.125 528 K CB -0.574 31.950 32.500 0.039 0.000 0.843 528 K HN -0.034 nan 8.250 nan 0.000 0.486 529 P HA -0.095 nan 4.420 nan 0.000 0.253 529 P C -0.151 177.176 177.300 0.045 0.000 1.159 529 P CA 0.845 63.971 63.100 0.042 0.000 0.779 529 P CB 0.107 31.829 31.700 0.036 0.000 0.745 530 M N 0.747 120.379 119.600 0.054 0.000 2.758 530 M HA -0.108 4.374 4.480 0.002 0.000 0.223 530 M C 0.324 176.702 176.300 0.131 0.000 0.490 530 M CA 0.539 55.872 55.300 0.056 0.000 0.713 530 M CB -2.222 30.384 32.600 0.011 0.000 2.624 530 M HN 0.509 nan 8.290 nan 0.000 0.718 531 G N -0.225 108.644 108.800 0.115 0.000 3.105 531 G HA2 0.791 4.752 3.960 0.002 0.000 0.277 531 G HA3 0.791 4.752 3.960 0.002 0.000 0.277 531 G C 0.717 175.637 174.900 0.033 0.000 1.375 531 G CA -0.603 44.548 45.100 0.084 0.000 0.962 531 G HN 0.209 nan 8.290 nan 0.000 0.541 532 I N 0.015 120.549 120.570 -0.060 0.000 2.064 532 I HA -0.289 3.883 4.170 0.002 0.000 0.234 532 I C 2.808 179.029 176.117 0.173 0.000 1.019 532 I CA 1.607 62.924 61.300 0.028 0.000 1.301 532 I CB -0.946 37.083 38.000 0.048 0.000 1.017 532 I HN 0.350 nan 8.210 nan 0.000 0.392 533 L N 0.466 121.757 121.223 0.114 0.000 1.997 533 L HA -0.255 4.086 4.340 0.002 0.000 0.216 533 L C 2.753 179.700 176.870 0.128 0.000 1.074 533 L CA 1.848 56.767 54.840 0.132 0.000 0.763 533 L CB -0.809 41.264 42.059 0.024 0.000 0.890 533 L HN 0.285 nan 8.230 nan 0.000 0.434 534 S N -0.426 115.329 115.700 0.093 0.000 2.442 534 S HA -0.058 4.413 4.470 0.002 0.000 0.236 534 S C 1.919 176.593 174.600 0.124 0.000 1.007 534 S CA 0.894 59.150 58.200 0.093 0.000 0.965 534 S CB -0.149 63.093 63.200 0.070 0.000 0.773 534 S HN 0.285 nan 8.310 nan 0.000 0.504 535 I N 0.543 121.210 120.570 0.162 0.000 2.353 535 I HA -0.114 4.058 4.170 0.002 0.000 0.248 535 I C 2.209 178.527 176.117 0.336 0.000 1.119 535 I CA 0.763 62.185 61.300 0.204 0.000 1.417 535 I CB -0.284 37.807 38.000 0.151 0.000 1.078 535 I HN 0.288 nan 8.210 nan 0.000 0.421 536 L N 1.290 122.750 121.223 0.394 0.000 1.994 536 L HA -0.213 4.128 4.340 0.002 0.000 0.208 536 L C 2.403 179.281 176.870 0.014 0.000 1.071 536 L CA 1.912 56.836 54.840 0.139 0.000 0.745 536 L CB -0.638 41.438 42.059 0.029 0.000 0.892 536 L HN 0.189 nan 8.230 nan 0.000 0.431 537 E N -0.480 119.749 120.200 0.048 0.000 2.048 537 E HA -0.312 4.039 4.350 0.002 0.000 0.202 537 E C 2.075 178.706 176.600 0.052 0.000 1.021 537 E CA 1.904 58.322 56.400 0.030 0.000 0.825 537 E CB -0.409 29.321 29.700 0.051 0.000 0.756 537 E HN 0.615 nan 8.360 nan 0.000 0.454 538 E N 0.424 120.682 120.200 0.097 0.000 2.085 538 E HA -0.231 4.120 4.350 0.002 0.000 0.194 538 E C 1.998 178.735 176.600 0.229 0.000 0.994 538 E CA 1.058 57.542 56.400 0.140 0.000 0.801 538 E CB -0.035 29.764 29.700 0.164 0.000 0.743 538 E HN 0.096 nan 8.360 nan 0.000 0.453 539 E N -0.171 120.158 120.200 0.215 0.000 2.472 539 E HA -0.098 4.253 4.350 0.002 0.000 0.200 539 E C 1.270 177.959 176.600 0.150 0.000 1.046 539 E CA 0.366 56.912 56.400 0.244 0.000 0.871 539 E CB -0.138 29.706 29.700 0.241 0.000 0.806 539 E HN 0.174 nan 8.360 nan 0.000 0.533 540 C N -0.269 119.067 119.300 0.060 0.000 2.514 540 C HA 0.160 4.621 4.460 0.002 0.000 0.271 540 C C 1.747 176.730 174.990 -0.012 0.000 1.399 540 C CA 0.164 59.178 59.018 -0.007 0.000 1.765 540 C CB -0.627 27.084 27.740 -0.048 0.000 1.893 540 C HN 0.480 nan 8.230 nan 0.000 0.531 541 M N -1.050 118.527 119.600 -0.038 0.000 2.505 541 M HA 0.216 4.697 4.480 0.002 0.000 0.230 541 M C -0.620 175.431 176.300 -0.415 0.000 1.153 541 M CA 0.567 55.731 55.300 -0.226 0.000 0.997 541 M CB -0.008 32.402 32.600 -0.316 0.000 1.606 541 M HN 0.172 nan 8.290 nan 0.000 0.481 542 F N 0.243 120.183 119.950 -0.016 0.000 2.307 542 F HA 0.330 4.858 4.527 0.002 0.000 0.369 542 F C -1.670 174.123 175.800 -0.012 0.000 1.076 542 F CA -2.036 55.956 58.000 -0.012 0.000 1.149 542 F CB 0.589 39.587 39.000 -0.004 0.000 1.410 542 F HN -0.107 nan 8.300 nan 0.000 0.481 543 P HA -0.322 nan 4.420 nan 0.000 0.224 543 P C 1.161 178.508 177.300 0.078 0.000 1.130 543 P CA 1.910 65.047 63.100 0.061 0.000 0.976 543 P CB 0.222 31.948 31.700 0.043 0.000 0.781 544 K N -1.184 119.274 120.400 0.096 0.000 2.522 544 K HA 0.253 4.574 4.320 0.002 0.000 0.194 544 K C 0.820 177.460 176.600 0.066 0.000 1.026 544 K CA 0.033 56.360 56.287 0.066 0.000 1.119 544 K CB -0.477 32.053 32.500 0.049 0.000 0.856 544 K HN 0.161 nan 8.250 nan 0.000 0.513 545 A N 1.717 124.599 122.820 0.103 0.000 2.521 545 A HA 0.176 4.497 4.320 0.002 0.000 0.237 545 A C 0.586 178.203 177.584 0.055 0.000 1.087 545 A CA 0.363 52.453 52.037 0.088 0.000 0.777 545 A CB 0.221 19.301 19.000 0.134 0.000 1.035 545 A HN 0.305 nan 8.150 nan 0.000 0.510 546 S N -0.882 114.849 115.700 0.052 0.000 2.588 546 S HA 0.418 4.890 4.470 0.002 0.000 0.269 546 S C -0.029 174.607 174.600 0.060 0.000 1.157 546 S CA -0.190 58.035 58.200 0.042 0.000 0.824 546 S CB 1.106 64.323 63.200 0.028 0.000 1.126 546 S HN 0.525 nan 8.310 nan 0.000 0.464 547 D N 1.609 122.037 120.400 0.046 0.000 2.280 547 D HA -0.042 4.599 4.640 0.002 0.000 0.206 547 D C 1.570 177.887 176.300 0.029 0.000 0.988 547 D CA 2.171 56.202 54.000 0.052 0.000 0.886 547 D CB -0.218 40.603 40.800 0.036 0.000 0.914 547 D HN 0.678 nan 8.370 nan 0.000 0.473 548 T N -1.206 113.354 114.554 0.010 0.000 2.983 548 T HA -0.008 4.344 4.350 0.002 0.000 0.250 548 T C 2.112 176.808 174.700 -0.008 0.000 1.037 548 T CA 0.701 62.783 62.100 -0.029 0.000 1.142 548 T CB -0.121 68.728 68.868 -0.032 0.000 0.876 548 T HN 0.032 nan 8.240 nan 0.000 0.455 549 S N 2.096 117.810 115.700 0.023 0.000 2.383 549 S HA -0.106 4.365 4.470 0.002 0.000 0.229 549 S C 1.662 176.300 174.600 0.063 0.000 1.030 549 S CA 1.028 59.238 58.200 0.017 0.000 1.002 549 S CB -0.612 62.600 63.200 0.019 0.000 0.829 549 S HN 0.485 nan 8.310 nan 0.000 0.467 550 F N 2.744 122.659 119.950 -0.060 0.000 2.163 550 F HA 0.056 4.584 4.527 0.002 0.000 0.297 550 F C 2.203 177.968 175.800 -0.057 0.000 1.094 550 F CA 1.302 59.267 58.000 -0.058 0.000 1.290 550 F CB -0.419 38.544 39.000 -0.062 0.000 1.017 550 F HN 0.023 nan 8.300 nan 0.000 0.483 551 K N 0.431 120.727 120.400 -0.172 0.000 1.991 551 K HA -0.236 4.085 4.320 0.002 0.000 0.212 551 K C 1.942 178.560 176.600 0.030 0.000 1.049 551 K CA 1.934 58.117 56.287 -0.174 0.000 0.932 551 K CB -0.376 32.074 32.500 -0.085 0.000 0.717 551 K HN 0.268 nan 8.250 nan 0.000 0.441 552 N N 1.185 119.875 118.700 -0.016 0.000 2.069 552 N HA -0.194 4.547 4.740 0.002 0.000 0.191 552 N C 1.676 177.169 175.510 -0.029 0.000 1.031 552 N CA 1.163 54.206 53.050 -0.011 0.000 0.852 552 N CB -0.231 38.209 38.487 -0.079 0.000 1.018 552 N HN 0.272 nan 8.380 nan 0.000 0.423 553 K N 0.865 121.205 120.400 -0.099 0.000 2.280 553 K HA -0.014 4.308 4.320 0.002 0.000 0.202 553 K C 1.991 178.471 176.600 -0.200 0.000 1.047 553 K CA 0.458 56.669 56.287 -0.127 0.000 0.942 553 K CB 0.037 32.486 32.500 -0.085 0.000 0.739 553 K HN 0.156 nan 8.250 nan 0.000 0.457 554 L N -0.626 120.419 121.223 -0.297 0.000 2.049 554 L HA -0.161 4.180 4.340 0.002 0.000 0.203 554 L C 2.114 178.745 176.870 -0.399 0.000 1.074 554 L CA 1.125 55.710 54.840 -0.425 0.000 0.749 554 L CB -0.568 41.108 42.059 -0.638 0.000 0.907 554 L HN 0.147 nan 8.230 nan 0.000 0.439 555 Y N 0.501 120.641 120.300 -0.267 0.000 2.097 555 Y HA -0.324 4.227 4.550 0.002 0.000 0.282 555 Y C 2.354 178.118 175.900 -0.226 0.000 1.152 555 Y CA 1.622 59.609 58.100 -0.188 0.000 1.136 555 Y CB -0.666 37.755 38.460 -0.066 0.000 0.975 555 Y HN 0.207 nan 8.280 nan 0.000 0.498 556 D N -0.113 120.273 120.400 -0.022 0.000 2.380 556 D HA -0.260 4.381 4.640 0.002 0.000 0.198 556 D C 1.986 178.166 176.300 -0.199 0.000 1.027 556 D CA 1.810 55.752 54.000 -0.098 0.000 0.880 556 D CB -0.591 40.143 40.800 -0.111 0.000 1.064 556 D HN 0.211 nan 8.370 nan 0.000 0.465 557 N N -0.674 117.843 118.700 -0.306 0.000 2.060 557 N HA -0.162 4.579 4.740 0.002 0.000 0.195 557 N C 0.869 175.915 175.510 -0.773 0.000 1.028 557 N CA 1.161 53.883 53.050 -0.546 0.000 0.861 557 N CB -0.094 37.994 38.487 -0.666 0.000 1.029 557 N HN 0.498 nan 8.380 nan 0.000 0.428 558 H N -0.668 118.101 119.070 -0.501 0.000 2.662 558 H HA 0.197 4.755 4.556 0.002 0.000 0.268 558 H C 1.673 176.678 175.328 -0.538 0.000 1.152 558 H CA -0.298 55.395 56.048 -0.593 0.000 1.072 558 H CB 0.633 29.839 29.762 -0.926 0.000 1.660 558 H HN 0.132 nan 8.280 nan 0.000 0.584 559 L N 0.077 121.162 121.223 -0.230 0.000 1.948 559 L HA -0.066 4.275 4.340 0.002 0.000 0.212 559 L C 2.401 179.327 176.870 0.093 0.000 1.074 559 L CA 2.140 56.985 54.840 0.009 0.000 0.753 559 L CB -0.434 41.695 42.059 0.116 0.000 0.888 559 L HN 0.352 nan 8.230 nan 0.000 0.432 560 G N -1.056 107.773 108.800 0.049 0.000 2.744 560 G HA2 -0.077 3.884 3.960 0.002 0.000 0.211 560 G HA3 -0.077 3.884 3.960 0.002 0.000 0.211 560 G C 1.401 176.326 174.900 0.042 0.000 1.146 560 G CA -0.168 44.967 45.100 0.057 0.000 0.787 560 G HN 0.323 nan 8.290 nan 0.000 0.534 561 K N 0.096 120.504 120.400 0.013 0.000 2.504 561 K HA 0.043 4.364 4.320 0.002 0.000 0.195 561 K C 0.227 176.853 176.600 0.043 0.000 1.036 561 K CA 0.216 56.507 56.287 0.007 0.000 0.984 561 K CB 0.137 32.611 32.500 -0.044 0.000 0.788 561 K HN 0.154 nan 8.250 nan 0.000 0.488 562 N N 0.240 118.991 118.700 0.084 0.000 2.454 562 N HA 0.106 4.847 4.740 0.002 0.000 0.291 562 N C -2.235 173.355 175.510 0.134 0.000 1.079 562 N CA -1.837 51.280 53.050 0.112 0.000 0.893 562 N CB 1.856 40.430 38.487 0.145 0.000 1.512 562 N HN -0.253 nan 8.380 nan 0.000 0.497 563 P HA -0.205 nan 4.420 nan 0.000 0.215 563 P C 1.525 178.886 177.300 0.101 0.000 1.163 563 P CA 1.220 64.366 63.100 0.076 0.000 0.894 563 P CB 0.347 32.072 31.700 0.041 0.000 0.791 564 M N -0.872 118.802 119.600 0.124 0.000 2.073 564 M HA -0.077 4.404 4.480 0.002 0.000 0.258 564 M C 1.316 177.718 176.300 0.170 0.000 1.070 564 M CA 0.791 56.183 55.300 0.154 0.000 1.103 564 M CB -2.029 30.655 32.600 0.139 0.000 1.321 564 M HN -0.101 nan 8.290 nan 0.000 0.405 565 F N 0.521 120.500 119.950 0.048 0.000 2.506 565 F HA 0.438 4.966 4.527 0.002 0.000 0.371 565 F C 0.897 176.741 175.800 0.074 0.000 1.078 565 F CA -0.085 57.953 58.000 0.063 0.000 1.195 565 F CB 0.313 39.301 39.000 -0.019 0.000 1.099 565 F HN 0.070 nan 8.300 nan 0.000 0.548 566 G N 4.549 113.218 108.800 -0.219 0.000 3.262 566 G HA2 0.526 4.488 3.960 0.002 0.000 0.229 566 G HA3 0.526 4.488 3.960 0.002 0.000 0.229 566 G C -1.679 173.122 174.900 -0.165 0.000 1.280 566 G CA -0.855 44.208 45.100 -0.061 0.000 0.951 566 G HN 0.613 nan 8.290 nan 0.000 0.589 567 K N 0.575 120.955 120.400 -0.033 0.000 2.582 567 K HA 0.277 4.598 4.320 0.002 0.000 0.259 567 K C -2.605 174.023 176.600 0.046 0.000 0.973 567 K CA -1.015 55.293 56.287 0.034 0.000 0.880 567 K CB 2.457 35.081 32.500 0.205 0.000 1.310 567 K HN 0.441 nan 8.250 nan 0.000 0.443 568 P HA 0.210 nan 4.420 nan 0.000 0.323 568 P C -1.362 175.964 177.300 0.044 0.000 1.319 568 P CA -0.182 62.922 63.100 0.007 0.000 0.741 568 P CB 0.271 31.949 31.700 -0.037 0.000 1.545 569 K N -1.784 118.633 120.400 0.028 0.000 2.690 569 K HA 0.450 4.771 4.320 0.002 0.000 0.264 569 K C -2.849 173.767 176.600 0.027 0.000 1.040 569 K CA -1.570 54.740 56.287 0.038 0.000 0.946 569 K CB -0.417 32.105 32.500 0.035 0.000 1.268 569 K HN 0.118 nan 8.250 nan 0.000 0.473 570 P HA -0.201 nan 4.420 nan 0.000 0.261 570 P C -2.265 175.047 177.300 0.021 0.000 1.101 570 P CA -0.074 63.043 63.100 0.028 0.000 0.751 570 P CB -0.027 31.693 31.700 0.033 0.000 0.683 571 P HA 0.176 nan 4.420 nan 0.000 0.186 571 P C 0.020 177.330 177.300 0.016 0.000 1.117 571 P CA 0.440 63.551 63.100 0.017 0.000 0.832 571 P CB 0.383 32.094 31.700 0.018 0.000 0.713 572 K N -0.839 119.571 120.400 0.017 0.000 3.167 572 K HA 0.644 4.965 4.320 0.002 0.000 0.208 572 K C 0.370 176.977 176.600 0.012 0.000 1.159 572 K CA 0.199 56.493 56.287 0.013 0.000 1.018 572 K CB -0.849 31.657 32.500 0.009 0.000 0.927 572 K HN 0.291 nan 8.250 nan 0.000 0.476 573 A N -0.905 121.924 122.820 0.015 0.000 2.617 573 A HA -0.279 4.042 4.320 0.002 0.000 0.236 573 A C 1.574 179.165 177.584 0.012 0.000 0.514 573 A CA 1.959 54.004 52.037 0.014 0.000 1.126 573 A CB -2.051 16.954 19.000 0.008 0.000 1.393 573 A HN 0.675 nan 8.150 nan 0.000 0.693 574 G N -2.726 106.079 108.800 0.008 0.000 2.759 574 G HA2 0.301 4.262 3.960 0.002 0.000 0.208 574 G HA3 0.301 4.262 3.960 0.002 0.000 0.208 574 G C 0.665 175.570 174.900 0.009 0.000 1.076 574 G CA 1.009 46.109 45.100 -0.000 0.000 0.789 574 G HN 1.313 nan 8.290 nan 0.000 0.546 575 C N 3.579 122.890 119.300 0.019 0.000 2.894 575 C HA 0.606 5.067 4.460 0.002 0.000 0.430 575 C C 1.775 176.796 174.990 0.051 0.000 1.048 575 C CA -0.751 58.287 59.018 0.034 0.000 1.158 575 C CB -2.673 25.082 27.740 0.025 0.000 1.634 575 C HN 0.706 nan 8.230 nan 0.000 0.565 576 A N 3.859 126.722 122.820 0.073 0.000 2.832 576 A HA -0.145 4.176 4.320 0.002 0.000 0.679 576 A C 0.419 178.053 177.584 0.084 0.000 1.900 576 A CA 0.868 52.972 52.037 0.111 0.000 2.247 576 A CB 0.033 19.187 19.000 0.257 0.000 1.364 576 A HN 0.875 nan 8.150 nan 0.000 0.649 577 E N -0.526 119.718 120.200 0.074 0.000 2.156 577 E HA 0.536 4.887 4.350 0.002 0.000 0.279 577 E C -0.280 176.186 176.600 -0.223 0.000 0.965 577 E CA -0.138 56.241 56.400 -0.036 0.000 0.789 577 E CB 1.126 30.835 29.700 0.015 0.000 1.098 577 E HN 0.915 nan 8.360 nan 0.000 0.397 578 A N 3.869 126.551 122.820 -0.230 0.000 2.312 578 A HA 0.373 4.695 4.320 0.002 0.000 0.326 578 A C -0.606 176.787 177.584 -0.320 0.000 1.172 578 A CA -0.442 51.416 52.037 -0.298 0.000 0.821 578 A CB 0.484 19.384 19.000 -0.166 0.000 1.166 578 A HN 0.920 nan 8.150 nan 0.000 0.493 579 H N 0.370 119.490 119.070 0.084 0.000 2.705 579 H HA 0.400 4.957 4.556 0.002 0.000 0.269 579 H C -0.711 174.762 175.328 0.242 0.000 0.998 579 H CA 0.853 57.031 56.048 0.216 0.000 1.193 579 H CB 0.475 30.386 29.762 0.248 0.000 1.485 579 H HN 0.698 nan 8.280 nan 0.000 0.521 580 F N -0.586 119.325 119.950 -0.065 0.000 2.822 580 F HA 0.370 4.898 4.527 0.002 0.000 0.323 580 F C -1.968 173.692 175.800 -0.234 0.000 1.133 580 F CA -2.224 55.572 58.000 -0.340 0.000 0.941 580 F CB 0.396 38.997 39.000 -0.665 0.000 1.263 580 F HN 0.004 nan 8.300 nan 0.000 0.451 581 C N 2.584 121.634 119.300 -0.417 0.000 2.712 581 C HA 0.934 5.395 4.460 0.002 0.000 0.308 581 C C -0.928 173.980 174.990 -0.136 0.000 1.201 581 C CA -0.968 57.862 59.018 -0.314 0.000 1.554 581 C CB 1.018 28.635 27.740 -0.205 0.000 2.117 581 C HN 1.079 nan 8.230 nan 0.000 0.480 582 L N 2.702 123.952 121.223 0.045 0.000 2.322 582 L HA 0.521 4.863 4.340 0.002 0.000 0.269 582 L C 0.215 177.128 176.870 0.072 0.000 1.012 582 L CA -0.486 54.403 54.840 0.081 0.000 0.815 582 L CB 1.298 43.411 42.059 0.091 0.000 1.295 582 L HN 0.873 nan 8.230 nan 0.000 0.438 583 H N 2.382 121.417 119.070 -0.058 0.000 2.685 583 H HA 0.283 4.840 4.556 0.002 0.000 0.286 583 H C -1.110 174.165 175.328 -0.088 0.000 1.102 583 H CA -0.543 55.485 56.048 -0.033 0.000 1.254 583 H CB 0.350 30.105 29.762 -0.012 0.000 1.397 583 H HN 0.515 nan 8.280 nan 0.000 0.473 584 H N 4.756 123.610 119.070 -0.360 0.000 2.482 584 H HA -0.075 4.482 4.556 0.002 0.000 0.344 584 H C 0.818 175.785 175.328 -0.601 0.000 1.151 584 H CA -0.026 55.811 56.048 -0.351 0.000 1.300 584 H CB 1.287 30.968 29.762 -0.134 0.000 1.494 584 H HN 0.770 nan 8.280 nan 0.000 0.542 585 Y N 0.705 120.870 120.300 -0.226 0.000 2.181 585 Y HA -0.205 4.346 4.550 0.002 0.000 0.284 585 Y C 1.962 177.697 175.900 -0.274 0.000 1.179 585 Y CA 1.251 59.225 58.100 -0.210 0.000 1.179 585 Y CB -0.672 37.734 38.460 -0.089 0.000 0.973 585 Y HN 0.507 nan 8.280 nan 0.000 0.519 586 A N 0.715 122.576 122.820 -1.598 0.000 2.239 586 A HA 0.474 4.795 4.320 0.002 0.000 0.209 586 A C 1.423 178.574 177.584 -0.721 0.000 1.171 586 A CA 0.909 52.141 52.037 -1.342 0.000 0.768 586 A CB -1.275 16.330 19.000 -2.324 0.000 0.790 586 A HN 1.150 nan 8.150 nan 0.000 0.478 587 G N -1.672 106.849 108.800 -0.465 0.000 2.316 587 G HA2 0.211 4.172 3.960 0.002 0.000 0.349 587 G HA3 0.211 4.172 3.960 0.002 0.000 0.349 587 G C -0.309 174.539 174.900 -0.087 0.000 1.274 587 G CA -0.108 44.871 45.100 -0.201 0.000 1.018 587 G HN 0.909 nan 8.290 nan 0.000 0.486 588 S N -0.930 114.761 115.700 -0.016 0.000 2.457 588 S HA 0.643 5.114 4.470 0.002 0.000 0.289 588 S C -0.060 174.520 174.600 -0.034 0.000 1.163 588 S CA -0.363 57.850 58.200 0.022 0.000 1.078 588 S CB 0.934 64.150 63.200 0.026 0.000 0.987 588 S HN 1.302 nan 8.310 nan 0.000 0.482 589 V N 5.012 124.910 119.914 -0.027 0.000 2.459 589 V HA 0.478 4.600 4.120 0.002 0.000 0.295 589 V C -0.183 175.617 176.094 -0.490 0.000 1.029 589 V CA -0.722 61.411 62.300 -0.278 0.000 0.874 589 V CB 1.938 33.523 31.823 -0.395 0.000 0.985 589 V HN 0.924 nan 8.190 nan 0.000 0.438 590 S N 4.549 119.929 115.700 -0.534 0.000 2.442 590 S HA 0.716 5.187 4.470 0.002 0.000 0.297 590 S C -1.008 173.214 174.600 -0.630 0.000 1.131 590 S CA -0.420 57.489 58.200 -0.484 0.000 1.092 590 S CB 0.554 63.591 63.200 -0.272 0.000 0.998 590 S HN 0.546 nan 8.310 nan 0.000 0.478 591 Y N 0.800 120.785 120.300 -0.525 0.000 2.468 591 Y HA 0.565 5.116 4.550 0.002 0.000 0.342 591 Y C 0.659 176.372 175.900 -0.311 0.000 1.021 591 Y CA -0.745 57.104 58.100 -0.418 0.000 1.079 591 Y CB 1.611 39.793 38.460 -0.464 0.000 1.226 591 Y HN 0.572 nan 8.280 nan 0.000 0.460 592 S N 2.034 117.718 115.700 -0.028 0.000 2.541 592 S HA 0.399 4.870 4.470 0.002 0.000 0.283 592 S C 0.387 175.108 174.600 0.201 0.000 1.196 592 S CA -0.554 57.642 58.200 -0.008 0.000 1.062 592 S CB 0.477 63.641 63.200 -0.060 0.000 1.009 592 S HN 0.649 nan 8.310 nan 0.000 0.502 593 I N 2.927 123.733 120.570 0.394 0.000 3.645 593 I HA 0.239 4.410 4.170 0.002 0.000 0.300 593 I C 1.485 177.545 176.117 -0.095 0.000 1.260 593 I CA 0.142 61.284 61.300 -0.263 0.000 1.365 593 I CB -1.087 36.835 38.000 -0.129 0.000 1.077 593 I HN 0.779 nan 8.210 nan 0.000 0.439 594 A N 0.956 123.940 122.820 0.274 0.000 2.583 594 A HA 0.271 4.592 4.320 0.002 0.000 0.249 594 A C 1.643 179.416 177.584 0.315 0.000 1.035 594 A CA 1.100 53.304 52.037 0.279 0.000 0.777 594 A CB -0.690 18.522 19.000 0.354 0.000 0.942 594 A HN 0.816 nan 8.150 nan 0.000 0.516 595 G N 1.696 110.622 108.800 0.209 0.000 2.212 595 G HA2 -0.317 3.644 3.960 0.002 0.000 0.266 595 G HA3 -0.317 3.644 3.960 0.002 0.000 0.266 595 G C 0.727 175.752 174.900 0.209 0.000 0.978 595 G CA 0.890 46.101 45.100 0.184 0.000 0.632 595 G HN 0.829 nan 8.290 nan 0.000 0.537 596 W N 0.677 121.905 121.300 -0.120 0.000 2.321 596 W HA 0.054 4.715 4.660 0.002 0.000 0.306 596 W C 2.688 178.937 176.519 -0.449 0.000 1.217 596 W CA 1.438 58.573 57.345 -0.349 0.000 1.257 596 W CB -1.222 27.997 29.460 -0.401 0.000 1.145 596 W HN 0.363 nan 8.180 nan 0.000 0.509 597 L N -0.213 120.914 121.223 -0.159 0.000 2.043 597 L HA -0.263 4.078 4.340 0.002 0.000 0.212 597 L C 2.134 178.931 176.870 -0.122 0.000 1.075 597 L CA 1.627 56.354 54.840 -0.188 0.000 0.752 597 L CB -0.826 41.153 42.059 -0.134 0.000 0.891 597 L HN -0.034 nan 8.230 nan 0.000 0.432 598 D N -0.056 120.300 120.400 -0.074 0.000 2.123 598 D HA -0.128 4.513 4.640 0.002 0.000 0.200 598 D C 2.149 178.395 176.300 -0.090 0.000 0.976 598 D CA 1.061 55.027 54.000 -0.057 0.000 0.831 598 D CB -0.046 40.738 40.800 -0.028 0.000 0.974 598 D HN 0.320 nan 8.370 nan 0.000 0.469 599 K N 0.669 120.987 120.400 -0.136 0.000 2.211 599 K HA -0.047 4.274 4.320 0.002 0.000 0.203 599 K C 1.837 178.325 176.600 -0.187 0.000 1.050 599 K CA 0.386 56.575 56.287 -0.163 0.000 0.945 599 K CB 0.040 32.430 32.500 -0.182 0.000 0.732 599 K HN 0.115 nan 8.250 nan 0.000 0.451 600 N N 1.219 119.738 118.700 -0.300 0.000 2.376 600 N HA -0.061 4.680 4.740 0.002 0.000 0.177 600 N C -0.268 175.184 175.510 -0.096 0.000 1.024 600 N CA 0.276 53.159 53.050 -0.278 0.000 0.893 600 N CB 0.368 38.600 38.487 -0.425 0.000 0.980 600 N HN 0.086 nan 8.380 nan 0.000 0.439 601 K N 1.538 121.898 120.400 -0.066 0.000 2.416 601 K HA -0.037 4.285 4.320 0.002 0.000 0.283 601 K C -0.701 175.918 176.600 0.031 0.000 1.037 601 K CA 0.325 56.609 56.287 -0.005 0.000 0.995 601 K CB 0.655 33.157 32.500 0.003 0.000 0.938 601 K HN 0.071 nan 8.250 nan 0.000 0.475 602 D N 4.571 125.002 120.400 0.052 0.000 2.968 602 D HA 0.119 4.760 4.640 0.002 0.000 0.301 602 D C -2.570 173.766 176.300 0.060 0.000 1.226 602 D CA -1.639 52.399 54.000 0.063 0.000 0.746 602 D CB 0.734 41.578 40.800 0.073 0.000 1.278 602 D HN 0.225 nan 8.370 nan 0.000 0.544 603 P HA 0.250 nan 4.420 nan 0.000 0.275 603 P C 0.399 177.633 177.300 -0.110 0.000 1.227 603 P CA -0.300 62.843 63.100 0.071 0.000 0.781 603 P CB 1.495 33.320 31.700 0.207 0.000 0.906 604 I N 3.230 123.643 120.570 -0.261 0.000 2.472 604 I HA 0.165 4.337 4.170 0.002 0.000 0.290 604 I C 0.913 176.586 176.117 -0.739 0.000 1.016 604 I CA -0.188 60.899 61.300 -0.355 0.000 1.348 604 I CB 0.452 38.305 38.000 -0.244 0.000 1.417 604 I HN 0.231 nan 8.210 nan 0.000 0.521 605 N N 5.934 124.363 118.700 -0.451 0.000 2.851 605 N HA 0.139 4.880 4.740 0.002 0.000 0.248 605 N C 0.479 175.845 175.510 -0.240 0.000 1.221 605 N CA -0.210 52.575 53.050 -0.441 0.000 0.847 605 N CB 1.287 39.619 38.487 -0.258 0.000 1.150 605 N HN 0.609 nan 8.380 nan 0.000 0.507 606 E N 1.055 121.112 120.200 -0.238 0.000 2.240 606 E HA -0.332 4.019 4.350 0.002 0.000 0.236 606 E C 1.013 177.576 176.600 -0.061 0.000 1.085 606 E CA 1.841 58.179 56.400 -0.103 0.000 0.979 606 E CB 0.066 29.743 29.700 -0.038 0.000 0.845 606 E HN 0.450 nan 8.360 nan 0.000 0.483 607 N N 0.132 118.807 118.700 -0.042 0.000 2.137 607 N HA -0.154 4.588 4.740 0.002 0.000 0.190 607 N C 1.889 177.375 175.510 -0.040 0.000 1.017 607 N CA 1.397 54.431 53.050 -0.026 0.000 0.859 607 N CB -0.407 38.074 38.487 -0.011 0.000 1.002 607 N HN 0.083 nan 8.380 nan 0.000 0.428 608 V N 0.744 120.625 119.914 -0.055 0.000 2.759 608 V HA -0.118 4.003 4.120 0.002 0.000 0.256 608 V C 2.351 178.406 176.094 -0.065 0.000 1.080 608 V CA 0.917 63.185 62.300 -0.052 0.000 1.101 608 V CB -0.434 31.358 31.823 -0.052 0.000 0.698 608 V HN 0.065 nan 8.190 nan 0.000 0.477 609 V N -0.450 119.422 119.914 -0.070 0.000 2.273 609 V HA -0.097 4.024 4.120 0.002 0.000 0.242 609 V C 2.536 178.577 176.094 -0.089 0.000 1.035 609 V CA 1.407 63.662 62.300 -0.076 0.000 1.013 609 V CB -0.620 31.169 31.823 -0.056 0.000 0.652 609 V HN 0.457 nan 8.190 nan 0.000 0.452 610 E N 0.297 120.462 120.200 -0.058 0.000 2.130 610 E HA -0.264 4.087 4.350 0.002 0.000 0.196 610 E C 2.097 178.645 176.600 -0.087 0.000 0.998 610 E CA 1.446 57.815 56.400 -0.052 0.000 0.806 610 E CB -0.393 29.298 29.700 -0.015 0.000 0.738 610 E HN 0.484 nan 8.360 nan 0.000 0.459 611 L N 0.531 121.708 121.223 -0.077 0.000 2.044 611 L HA -0.051 4.290 4.340 0.002 0.000 0.205 611 L C 2.178 178.975 176.870 -0.122 0.000 1.075 611 L CA 1.175 55.968 54.840 -0.078 0.000 0.747 611 L CB -0.291 41.739 42.059 -0.049 0.000 0.903 611 L HN 0.024 nan 8.230 nan 0.000 0.435 612 L N -0.265 120.880 121.223 -0.130 0.000 2.642 612 L HA -0.116 4.226 4.340 0.002 0.000 0.236 612 L C 1.109 177.808 176.870 -0.286 0.000 1.169 612 L CA 0.462 55.203 54.840 -0.165 0.000 0.851 612 L CB -0.527 41.454 42.059 -0.130 0.000 0.968 612 L HN 0.451 nan 8.230 nan 0.000 0.453 613 Q N 0.488 120.086 119.800 -0.337 0.000 2.399 613 Q HA 0.176 4.517 4.340 0.002 0.000 0.307 613 Q C -0.695 175.003 176.000 -0.504 0.000 0.933 613 Q CA -0.122 55.291 55.803 -0.651 0.000 0.995 613 Q CB 0.245 28.687 28.738 -0.492 0.000 1.191 613 Q HN 0.347 nan 8.270 nan 0.000 0.426 614 N N -0.499 117.999 118.700 -0.338 0.000 2.331 614 N HA 0.262 5.003 4.740 0.002 0.000 0.280 614 N C -0.685 174.731 175.510 -0.157 0.000 1.155 614 N CA -0.143 52.788 53.050 -0.198 0.000 0.822 614 N CB 2.008 40.425 38.487 -0.116 0.000 1.619 614 N HN 0.098 nan 8.380 nan 0.000 0.476 615 S N 0.519 116.157 115.700 -0.104 0.000 3.387 615 S HA -0.209 4.262 4.470 0.002 0.000 0.633 615 S C -1.101 173.436 174.600 -0.105 0.000 2.641 615 S CA 0.382 58.532 58.200 -0.084 0.000 2.931 615 S CB -0.499 62.654 63.200 -0.078 0.000 0.327 615 S HN 0.665 nan 8.310 nan 0.000 1.716 616 K N 1.748 122.081 120.400 -0.112 0.000 2.371 616 K HA -0.188 4.133 4.320 0.002 0.000 0.242 616 K C 1.361 177.877 176.600 -0.140 0.000 1.060 616 K CA 1.476 57.682 56.287 -0.135 0.000 1.136 616 K CB -0.712 31.679 32.500 -0.180 0.000 0.721 616 K HN 0.685 nan 8.250 nan 0.000 0.481 617 E N 3.750 123.876 120.200 -0.123 0.000 2.113 617 E HA -0.253 4.098 4.350 0.002 0.000 0.210 617 E C -0.748 175.742 176.600 -0.183 0.000 1.040 617 E CA 1.958 58.284 56.400 -0.123 0.000 0.847 617 E CB -0.524 29.108 29.700 -0.114 0.000 0.755 617 E HN 0.567 nan 8.360 nan 0.000 0.459 618 P HA -0.150 nan 4.420 nan 0.000 0.215 618 P C 1.381 178.505 177.300 -0.294 0.000 1.157 618 P CA 1.349 64.215 63.100 -0.390 0.000 0.863 618 P CB -0.233 31.162 31.700 -0.508 0.000 0.787 619 I N -0.416 120.008 120.570 -0.243 0.000 3.294 619 I HA -0.116 4.055 4.170 0.002 0.000 0.287 619 I C 1.707 177.687 176.117 -0.229 0.000 1.328 619 I CA 0.599 61.769 61.300 -0.218 0.000 1.375 619 I CB -0.381 37.499 38.000 -0.201 0.000 1.045 619 I HN -0.135 nan 8.210 nan 0.000 0.522 620 V N -0.339 119.482 119.914 -0.156 0.000 3.048 620 V HA -0.052 4.069 4.120 0.002 0.000 0.241 620 V C 2.295 178.519 176.094 0.217 0.000 1.129 620 V CA 0.634 62.917 62.300 -0.029 0.000 1.128 620 V CB -0.385 31.502 31.823 0.106 0.000 0.849 620 V HN 0.349 nan 8.190 nan 0.000 0.475 621 K N 0.114 120.531 120.400 0.029 0.000 2.186 621 K HA 0.010 4.331 4.320 0.002 0.000 0.202 621 K C 2.029 178.636 176.600 0.011 0.000 1.052 621 K CA 1.084 57.392 56.287 0.035 0.000 0.965 621 K CB 0.008 32.459 32.500 -0.082 0.000 0.746 621 K HN 0.322 nan 8.250 nan 0.000 0.457 622 M N 0.746 120.288 119.600 -0.096 0.000 2.074 622 M HA -0.100 4.381 4.480 0.002 0.000 0.259 622 M C 1.513 177.797 176.300 -0.026 0.000 1.079 622 M CA 1.550 56.798 55.300 -0.086 0.000 1.119 622 M CB -0.088 32.417 32.600 -0.158 0.000 1.297 622 M HN 0.001 nan 8.290 nan 0.000 0.416 623 L N -0.930 120.251 121.223 -0.070 0.000 2.672 623 L HA 0.091 4.432 4.340 0.002 0.000 0.236 623 L C 1.130 177.999 176.870 -0.001 0.000 1.186 623 L CA 0.398 55.202 54.840 -0.060 0.000 0.977 623 L CB -0.510 41.476 42.059 -0.122 0.000 1.203 623 L HN 0.265 nan 8.230 nan 0.000 0.448 624 F N -1.167 118.755 119.950 -0.045 0.000 2.602 624 F HA 0.065 4.593 4.527 0.002 0.000 0.284 624 F C 1.725 177.511 175.800 -0.023 0.000 1.111 624 F CA -0.375 57.603 58.000 -0.036 0.000 1.405 624 F CB 0.500 39.474 39.000 -0.044 0.000 1.121 624 F HN -0.036 nan 8.300 nan 0.000 0.603 644 F N 0.667 120.621 119.950 0.006 0.000 2.086 644 F HA -0.070 4.458 4.527 0.002 0.000 0.338 644 F C 0.598 176.403 175.800 0.008 0.000 1.105 644 F CA 0.373 58.377 58.000 0.007 0.000 1.151 644 F CB -1.468 37.530 39.000 -0.004 0.000 1.729 644 F HN 0.536 nan 8.300 nan 0.000 0.750 645 Q N 1.077 120.975 119.800 0.163 0.000 2.514 645 Q HA 0.807 5.148 4.340 0.002 0.000 0.169 645 Q C 0.631 176.683 176.000 0.086 0.000 1.027 645 Q CA 0.016 55.886 55.803 0.111 0.000 0.988 645 Q CB 0.690 29.484 28.738 0.094 0.000 2.123 645 Q HN 0.664 nan 8.270 nan 0.000 0.480 646 T N -3.075 111.526 114.554 0.079 0.000 2.896 646 T HA 0.544 4.895 4.350 0.002 0.000 0.297 646 T C 1.279 176.040 174.700 0.102 0.000 1.108 646 T CA -0.712 61.429 62.100 0.069 0.000 1.004 646 T CB 0.689 69.582 68.868 0.042 0.000 1.159 646 T HN 0.355 nan 8.240 nan 0.000 0.499 647 I N 1.394 122.031 120.570 0.111 0.000 2.091 647 I HA -0.282 3.890 4.170 0.002 0.000 0.239 647 I C 3.026 179.296 176.117 0.255 0.000 1.061 647 I CA 2.306 63.718 61.300 0.188 0.000 1.317 647 I CB -0.458 37.690 38.000 0.247 0.000 1.031 647 I HN 0.934 nan 8.210 nan 0.000 0.401 648 S N 0.626 116.497 115.700 0.284 0.000 2.368 648 S HA -0.300 4.171 4.470 0.002 0.000 0.226 648 S C 2.172 176.912 174.600 0.232 0.000 1.044 648 S CA 1.908 60.288 58.200 0.299 0.000 1.062 648 S CB -1.263 62.086 63.200 0.247 0.000 0.931 648 S HN 0.606 nan 8.310 nan 0.000 0.440 649 S N 1.542 117.344 115.700 0.170 0.000 2.400 649 S HA -0.080 4.391 4.470 0.002 0.000 0.232 649 S C 1.827 176.527 174.600 0.166 0.000 1.025 649 S CA 1.196 59.486 58.200 0.150 0.000 0.993 649 S CB -1.037 62.230 63.200 0.113 0.000 0.808 649 S HN 0.449 nan 8.310 nan 0.000 0.478 650 V N 1.887 121.905 119.914 0.173 0.000 2.283 650 V HA -0.123 3.998 4.120 0.002 0.000 0.243 650 V C 2.740 178.951 176.094 0.195 0.000 1.039 650 V CA 1.859 64.253 62.300 0.156 0.000 1.016 650 V CB -1.147 30.754 31.823 0.130 0.000 0.650 650 V HN 0.604 nan 8.190 nan 0.000 0.449 651 H N 1.356 120.503 119.070 0.127 0.000 2.265 651 H HA -0.222 4.336 4.556 0.002 0.000 0.293 651 H C 2.383 177.793 175.328 0.137 0.000 1.089 651 H CA 2.492 58.613 56.048 0.122 0.000 1.244 651 H CB -0.173 29.672 29.762 0.138 0.000 1.355 651 H HN 0.361 nan 8.280 nan 0.000 0.485 652 K N 0.153 120.791 120.400 0.397 0.000 2.015 652 K HA -0.233 4.089 4.320 0.002 0.000 0.216 652 K C 2.364 179.092 176.600 0.213 0.000 1.052 652 K CA 1.949 58.430 56.287 0.323 0.000 0.937 652 K CB -0.244 32.411 32.500 0.260 0.000 0.719 652 K HN 0.425 nan 8.250 nan 0.000 0.446 653 E N 0.242 120.547 120.200 0.174 0.000 2.085 653 E HA -0.202 4.149 4.350 0.002 0.000 0.194 653 E C 2.109 178.783 176.600 0.123 0.000 0.994 653 E CA 1.383 57.862 56.400 0.132 0.000 0.801 653 E CB -0.000 29.770 29.700 0.116 0.000 0.743 653 E HN 0.142 nan 8.360 nan 0.000 0.453 654 S N -0.255 115.518 115.700 0.123 0.000 2.345 654 S HA -0.140 4.332 4.470 0.002 0.000 0.220 654 S C 1.841 176.492 174.600 0.084 0.000 1.031 654 S CA 0.960 59.231 58.200 0.118 0.000 0.996 654 S CB -0.344 62.902 63.200 0.077 0.000 0.882 654 S HN 0.291 nan 8.310 nan 0.000 0.445 655 L N 3.217 124.475 121.223 0.057 0.000 1.971 655 L HA -0.110 4.231 4.340 0.002 0.000 0.215 655 L C 1.833 178.686 176.870 -0.029 0.000 1.072 655 L CA 1.978 56.800 54.840 -0.030 0.000 0.758 655 L CB -1.563 40.461 42.059 -0.058 0.000 0.889 655 L HN 0.272 nan 8.230 nan 0.000 0.433 656 N N -0.116 118.608 118.700 0.039 0.000 2.242 656 N HA -0.261 4.481 4.740 0.002 0.000 0.191 656 N C 1.846 177.386 175.510 0.049 0.000 1.005 656 N CA 1.477 54.559 53.050 0.053 0.000 0.877 656 N CB -0.249 38.289 38.487 0.086 0.000 0.983 656 N HN 0.501 nan 8.380 nan 0.000 0.439 657 K N 0.161 120.597 120.400 0.060 0.000 2.067 657 K HA 0.004 4.325 4.320 0.002 0.000 0.203 657 K C 1.918 178.517 176.600 -0.002 0.000 1.048 657 K CA 0.166 56.508 56.287 0.093 0.000 0.954 657 K CB -0.173 32.441 32.500 0.190 0.000 0.737 657 K HN -0.021 nan 8.250 nan 0.000 0.444 658 L N 1.633 122.732 121.223 -0.207 0.000 2.051 658 L HA -0.250 4.091 4.340 0.002 0.000 0.214 658 L C 2.074 178.700 176.870 -0.407 0.000 1.076 658 L CA 1.855 56.310 54.840 -0.641 0.000 0.758 658 L CB -0.410 41.159 42.059 -0.817 0.000 0.890 658 L HN 0.262 nan 8.230 nan 0.000 0.433 659 M N -0.707 118.753 119.600 -0.234 0.000 2.132 659 M HA -0.148 4.333 4.480 0.002 0.000 0.263 659 M C 2.262 178.620 176.300 0.096 0.000 1.065 659 M CA 1.655 56.888 55.300 -0.113 0.000 1.122 659 M CB -1.279 31.361 32.600 0.067 0.000 1.365 659 M HN 0.264 nan 8.290 nan 0.000 0.411 660 K N 1.505 121.964 120.400 0.097 0.000 2.113 660 K HA -0.159 4.163 4.320 0.002 0.000 0.208 660 K C 1.463 178.155 176.600 0.154 0.000 1.047 660 K CA 1.728 58.101 56.287 0.143 0.000 0.928 660 K CB -0.468 32.100 32.500 0.113 0.000 0.716 660 K HN 0.318 nan 8.250 nan 0.000 0.446 661 N N 0.293 119.045 118.700 0.087 0.000 2.207 661 N HA -0.052 4.689 4.740 0.002 0.000 0.182 661 N C 1.826 177.371 175.510 0.059 0.000 1.020 661 N CA 1.273 54.399 53.050 0.128 0.000 0.858 661 N CB -0.192 38.384 38.487 0.149 0.000 0.991 661 N HN 0.195 nan 8.380 nan 0.000 0.427 662 L N -0.228 120.870 121.223 -0.208 0.000 2.093 662 L HA -0.123 4.219 4.340 0.002 0.000 0.208 662 L C 1.721 178.523 176.870 -0.114 0.000 1.085 662 L CA 1.075 55.656 54.840 -0.432 0.000 0.755 662 L CB -0.461 40.882 42.059 -1.193 0.000 0.904 662 L HN 0.154 nan 8.230 nan 0.000 0.435 663 Y N -1.272 119.081 120.300 0.089 0.000 2.616 663 Y HA -0.102 4.449 4.550 0.002 0.000 0.296 663 Y C 2.410 178.454 175.900 0.240 0.000 1.154 663 Y CA 0.442 58.743 58.100 0.336 0.000 1.325 663 Y CB 0.085 38.682 38.460 0.228 0.000 1.007 663 Y HN 0.051 nan 8.280 nan 0.000 0.542 664 S N -0.810 115.075 115.700 0.308 0.000 2.577 664 S HA 0.032 4.504 4.470 0.002 0.000 0.219 664 S C 0.659 175.368 174.600 0.182 0.000 0.962 664 S CA 0.281 58.620 58.200 0.232 0.000 0.921 664 S CB -0.225 63.107 63.200 0.219 0.000 0.789 664 S HN 0.432 nan 8.310 nan 0.000 0.497 665 T N -1.295 113.389 114.554 0.216 0.000 2.908 665 T HA 0.421 4.772 4.350 0.002 0.000 0.290 665 T C -0.753 174.052 174.700 0.174 0.000 1.034 665 T CA -0.758 61.440 62.100 0.164 0.000 1.010 665 T CB 1.322 70.326 68.868 0.228 0.000 1.068 665 T HN 0.286 nan 8.240 nan 0.000 0.481 666 H N 3.904 122.954 119.070 -0.034 0.000 2.846 666 H HA 0.382 4.939 4.556 0.002 0.000 0.278 666 H C -2.303 172.889 175.328 -0.226 0.000 1.117 666 H CA -2.311 53.638 56.048 -0.166 0.000 1.406 666 H CB 0.915 30.559 29.762 -0.197 0.000 1.445 666 H HN 0.430 nan 8.280 nan 0.000 0.469 667 P HA 0.164 nan 4.420 nan 0.000 0.278 667 P C -0.964 175.862 177.300 -0.791 0.000 1.266 667 P CA -0.179 62.715 63.100 -0.343 0.000 0.807 667 P CB 1.935 33.417 31.700 -0.363 0.000 1.094 668 H N -0.297 118.459 119.070 -0.524 0.000 3.046 668 H HA 0.378 4.935 4.556 0.002 0.000 0.363 668 H C -1.054 174.004 175.328 -0.451 0.000 1.203 668 H CA -0.190 55.718 56.048 -0.233 0.000 1.169 668 H CB 1.178 30.898 29.762 -0.071 0.000 1.851 668 H HN 0.286 nan 8.280 nan 0.000 0.546 669 F N 1.175 121.308 119.950 0.304 0.000 2.460 669 F HA 0.352 4.880 4.527 0.002 0.000 0.341 669 F C 0.112 176.089 175.800 0.295 0.000 1.130 669 F CA -0.774 57.422 58.000 0.325 0.000 0.962 669 F CB 1.586 40.861 39.000 0.458 0.000 1.171 669 F HN 0.071 nan 8.300 nan 0.000 0.436 670 V N 4.518 124.619 119.914 0.311 0.000 2.435 670 V HA 0.569 4.690 4.120 0.002 0.000 0.290 670 V C -0.214 175.968 176.094 0.147 0.000 1.030 670 V CA -0.892 61.541 62.300 0.222 0.000 0.881 670 V CB 1.753 33.668 31.823 0.152 0.000 0.983 670 V HN 0.534 nan 8.190 nan 0.000 0.445 671 R N 2.972 123.528 120.500 0.092 0.000 2.312 671 R HA 0.420 4.761 4.340 0.002 0.000 0.310 671 R C -0.878 175.422 176.300 -0.000 0.000 1.064 671 R CA -0.329 55.764 56.100 -0.012 0.000 0.983 671 R CB 1.016 31.227 30.300 -0.149 0.000 1.139 671 R HN 0.627 nan 8.270 nan 0.000 0.536 672 C N 3.184 122.485 119.300 0.002 0.000 2.534 672 C HA 0.590 5.052 4.460 0.002 0.000 0.385 672 C C 0.806 175.768 174.990 -0.047 0.000 1.264 672 C CA -0.192 58.817 59.018 -0.014 0.000 2.342 672 C CB 0.069 27.805 27.740 -0.006 0.000 2.564 672 C HN 0.670 nan 8.230 nan 0.000 0.603 673 I N 2.403 122.925 120.570 -0.081 0.000 2.610 673 I HA 0.298 4.469 4.170 0.002 0.000 0.289 673 I C -0.660 175.383 176.117 -0.122 0.000 1.163 673 I CA -0.322 60.922 61.300 -0.094 0.000 1.044 673 I CB 1.316 39.249 38.000 -0.111 0.000 1.251 673 I HN 0.482 nan 8.210 nan 0.000 0.424 674 I N 8.181 128.715 120.570 -0.060 0.000 2.494 674 I HA 0.097 4.268 4.170 0.002 0.000 0.289 674 I C -1.284 174.812 176.117 -0.035 0.000 1.106 674 I CA -1.116 60.174 61.300 -0.017 0.000 1.369 674 I CB 0.677 38.704 38.000 0.045 0.000 1.410 674 I HN 0.409 nan 8.210 nan 0.000 0.523 675 P HA -0.026 nan 4.420 nan 0.000 0.221 675 P C -0.713 176.611 177.300 0.040 0.000 1.155 675 P CA 0.954 63.998 63.100 -0.093 0.000 0.812 675 P CB 0.087 31.635 31.700 -0.254 0.000 0.801 676 N N -2.654 116.119 118.700 0.122 0.000 2.710 676 N HA 0.141 4.882 4.740 0.002 0.000 0.257 676 N C 0.320 175.867 175.510 0.061 0.000 1.327 676 N CA -0.736 52.364 53.050 0.083 0.000 0.861 676 N CB 0.331 38.869 38.487 0.084 0.000 1.532 676 N HN -0.384 nan 8.380 nan 0.000 0.499 677 E N 0.058 120.271 120.200 0.021 0.000 2.204 677 E HA 0.032 4.383 4.350 0.002 0.000 0.194 677 E C -0.048 176.530 176.600 -0.036 0.000 0.989 677 E CA 0.973 57.373 56.400 -0.001 0.000 0.824 677 E CB -0.093 29.601 29.700 -0.010 0.000 0.756 677 E HN 0.527 nan 8.360 nan 0.000 0.477 678 L N 1.544 122.734 121.223 -0.055 0.000 2.294 678 L HA 0.305 4.646 4.340 0.002 0.000 0.283 678 L C -0.069 176.683 176.870 -0.197 0.000 1.015 678 L CA -0.721 54.056 54.840 -0.105 0.000 0.831 678 L CB 1.171 43.186 42.059 -0.073 0.000 1.217 678 L HN -0.344 nan 8.230 nan 0.000 0.420 679 K N 2.540 122.719 120.400 -0.369 0.000 2.196 679 K HA -0.008 4.313 4.320 0.002 0.000 0.254 679 K C -0.205 176.187 176.600 -0.347 0.000 1.303 679 K CA 0.529 56.398 56.287 -0.696 0.000 1.306 679 K CB -0.497 31.614 32.500 -0.648 0.000 0.803 679 K HN 0.521 nan 8.250 nan 0.000 0.469 680 T N 4.817 119.255 114.554 -0.194 0.000 3.296 680 T HA 0.152 4.504 4.350 0.002 0.000 0.333 680 T C -2.488 172.252 174.700 0.066 0.000 1.280 680 T CA -1.369 60.702 62.100 -0.048 0.000 1.558 680 T CB 0.703 69.553 68.868 -0.030 0.000 0.929 680 T HN 0.339 nan 8.240 nan 0.000 0.596 681 P HA -0.082 nan 4.420 nan 0.000 0.267 681 P C 1.067 178.382 177.300 0.026 0.000 1.158 681 P CA 1.223 64.409 63.100 0.143 0.000 0.756 681 P CB 0.312 32.051 31.700 0.064 0.000 0.766 682 G N 0.268 108.973 108.800 -0.158 0.000 2.166 682 G HA2 -0.257 3.704 3.960 0.002 0.000 0.260 682 G HA3 -0.257 3.704 3.960 0.002 0.000 0.260 682 G C -0.265 174.664 174.900 0.049 0.000 0.986 682 G CA 0.335 45.242 45.100 -0.321 0.000 0.683 682 G HN 0.659 nan 8.290 nan 0.000 0.527 683 L N 0.671 122.063 121.223 0.282 0.000 2.334 683 L HA 0.837 5.179 4.340 0.002 0.000 0.276 683 L C -0.358 176.681 176.870 0.282 0.000 1.014 683 L CA -1.292 53.682 54.840 0.224 0.000 0.815 683 L CB 1.269 43.402 42.059 0.122 0.000 1.268 683 L HN 0.039 nan 8.230 nan 0.000 0.428 684 I N 3.495 124.172 120.570 0.179 0.000 2.465 684 I HA 0.348 4.520 4.170 0.002 0.000 0.291 684 I C -0.865 175.298 176.117 0.077 0.000 1.014 684 I CA -0.504 60.862 61.300 0.111 0.000 1.093 684 I CB 1.742 39.810 38.000 0.114 0.000 1.267 684 I HN 0.548 nan 8.210 nan 0.000 0.431 685 D N 4.769 125.200 120.400 0.051 0.000 2.414 685 D HA 0.461 5.102 4.640 0.002 0.000 0.232 685 D C 0.789 177.114 176.300 0.041 0.000 1.070 685 D CA -0.270 53.758 54.000 0.047 0.000 0.839 685 D CB 2.140 42.960 40.800 0.033 0.000 1.079 685 D HN 0.644 nan 8.370 nan 0.000 0.521 686 A N 4.120 126.972 122.820 0.054 0.000 1.873 686 A HA -0.154 4.167 4.320 0.002 0.000 0.218 686 A C 2.097 179.695 177.584 0.023 0.000 1.193 686 A CA 2.203 54.263 52.037 0.037 0.000 0.629 686 A CB -0.686 18.325 19.000 0.018 0.000 0.826 686 A HN 0.645 nan 8.150 nan 0.000 0.447 687 A N -0.618 122.208 122.820 0.009 0.000 1.859 687 A HA -0.119 4.202 4.320 0.002 0.000 0.217 687 A C 2.183 179.795 177.584 0.047 0.000 1.198 687 A CA 1.959 54.004 52.037 0.013 0.000 0.629 687 A CB -0.845 18.151 19.000 -0.007 0.000 0.830 687 A HN 0.777 nan 8.150 nan 0.000 0.446 688 L N -0.163 121.079 121.223 0.033 0.000 2.042 688 L HA -0.147 4.195 4.340 0.002 0.000 0.210 688 L C 2.455 179.367 176.870 0.069 0.000 1.076 688 L CA 2.027 56.894 54.840 0.045 0.000 0.749 688 L CB -0.520 41.553 42.059 0.024 0.000 0.893 688 L HN 0.181 nan 8.230 nan 0.000 0.432 689 V N -0.513 119.421 119.914 0.034 0.000 2.261 689 V HA -0.315 3.806 4.120 0.002 0.000 0.246 689 V C 2.531 178.637 176.094 0.021 0.000 1.047 689 V CA 2.041 64.347 62.300 0.010 0.000 1.015 689 V CB -0.525 31.289 31.823 -0.015 0.000 0.642 689 V HN 0.422 nan 8.190 nan 0.000 0.446 690 L N -0.575 120.672 121.223 0.041 0.000 1.971 690 L HA -0.282 4.059 4.340 0.002 0.000 0.215 690 L C 2.642 179.528 176.870 0.027 0.000 1.072 690 L CA 2.375 57.239 54.840 0.040 0.000 0.758 690 L CB -1.182 40.922 42.059 0.075 0.000 0.889 690 L HN 0.500 nan 8.230 nan 0.000 0.433 691 H N 0.726 119.785 119.070 -0.019 0.000 2.292 691 H HA -0.264 4.293 4.556 0.002 0.000 0.292 691 H C 2.235 177.541 175.328 -0.038 0.000 1.100 691 H CA 2.515 58.547 56.048 -0.027 0.000 1.238 691 H CB 0.012 29.769 29.762 -0.009 0.000 1.355 691 H HN 0.480 nan 8.280 nan 0.000 0.484 692 Q N 0.039 119.852 119.800 0.023 0.000 2.170 692 Q HA -0.112 4.229 4.340 0.002 0.000 0.203 692 Q C 2.872 178.800 176.000 -0.119 0.000 0.976 692 Q CA 1.241 57.020 55.803 -0.040 0.000 0.858 692 Q CB 0.062 28.803 28.738 0.005 0.000 0.907 692 Q HN 0.502 nan 8.270 nan 0.000 0.433 693 L N 0.222 121.382 121.223 -0.106 0.000 2.017 693 L HA -0.183 4.158 4.340 0.002 0.000 0.208 693 L C 2.486 179.269 176.870 -0.144 0.000 1.073 693 L CA 1.272 56.038 54.840 -0.124 0.000 0.745 693 L CB -0.461 41.552 42.059 -0.077 0.000 0.894 693 L HN 0.203 nan 8.230 nan 0.000 0.432 694 R N -0.697 119.701 120.500 -0.170 0.000 2.096 694 R HA -0.121 4.220 4.340 0.002 0.000 0.235 694 R C 2.330 178.476 176.300 -0.258 0.000 1.127 694 R CA 1.545 57.525 56.100 -0.200 0.000 0.968 694 R CB -0.631 29.519 30.300 -0.250 0.000 0.861 694 R HN 0.447 nan 8.270 nan 0.000 0.440 695 C N 0.664 119.769 119.300 -0.324 0.000 2.543 695 C HA 0.030 4.491 4.460 0.002 0.000 0.281 695 C C 2.279 177.280 174.990 0.019 0.000 1.276 695 C CA -0.005 58.854 59.018 -0.265 0.000 1.700 695 C CB -1.058 26.557 27.740 -0.207 0.000 2.093 695 C HN 0.504 nan 8.230 nan 0.000 0.488 696 N N 0.584 119.229 118.700 -0.092 0.000 2.171 696 N HA -0.205 4.537 4.740 0.002 0.000 0.200 696 N C 1.563 176.915 175.510 -0.264 0.000 0.991 696 N CA 2.784 55.724 53.050 -0.182 0.000 0.906 696 N CB -0.524 37.776 38.487 -0.310 0.000 1.060 696 N HN 0.775 nan 8.380 nan 0.000 0.510 697 G N -2.127 106.546 108.800 -0.212 0.000 2.211 697 G HA2 -0.239 3.723 3.960 0.002 0.000 0.201 697 G HA3 -0.239 3.723 3.960 0.002 0.000 0.201 697 G C 0.962 175.690 174.900 -0.286 0.000 0.997 697 G CA 0.380 45.329 45.100 -0.251 0.000 0.652 697 G HN 0.259 nan 8.290 nan 0.000 0.500 698 V N 1.131 120.738 119.914 -0.511 0.000 2.261 698 V HA -0.109 4.012 4.120 0.002 0.000 0.246 698 V C 2.868 178.974 176.094 0.020 0.000 1.047 698 V CA 2.551 64.632 62.300 -0.364 0.000 1.015 698 V CB -0.434 31.171 31.823 -0.364 0.000 0.642 698 V HN 0.465 nan 8.190 nan 0.000 0.446 699 L N -0.364 120.839 121.223 -0.034 0.000 2.201 699 L HA -0.159 4.182 4.340 0.002 0.000 0.212 699 L C 2.511 179.408 176.870 0.045 0.000 1.105 699 L CA 1.379 56.226 54.840 0.010 0.000 0.775 699 L CB -0.477 41.571 42.059 -0.018 0.000 0.913 699 L HN 0.379 nan 8.230 nan 0.000 0.440 700 E N 0.621 120.860 120.200 0.065 0.000 2.106 700 E HA -0.144 4.207 4.350 0.002 0.000 0.192 700 E C 2.146 178.791 176.600 0.076 0.000 0.984 700 E CA 1.339 57.789 56.400 0.084 0.000 0.806 700 E CB -0.281 29.477 29.700 0.097 0.000 0.750 700 E HN 0.324 nan 8.360 nan 0.000 0.458 701 G N 0.576 109.459 108.800 0.139 0.000 2.418 701 G HA2 -0.236 3.726 3.960 0.002 0.000 0.217 701 G HA3 -0.236 3.726 3.960 0.002 0.000 0.217 701 G C 1.696 176.615 174.900 0.032 0.000 1.158 701 G CA 0.835 46.014 45.100 0.132 0.000 0.771 701 G HN 0.329 nan 8.290 nan 0.000 0.545 702 I N 0.026 120.633 120.570 0.061 0.000 2.361 702 I HA -0.141 4.030 4.170 0.002 0.000 0.251 702 I C 2.859 178.976 176.117 -0.000 0.000 1.133 702 I CA 0.870 62.189 61.300 0.032 0.000 1.413 702 I CB -0.110 37.916 38.000 0.042 0.000 1.073 702 I HN 0.124 nan 8.210 nan 0.000 0.424 703 R N 1.104 121.604 120.500 -0.001 0.000 2.081 703 R HA -0.169 4.172 4.340 0.002 0.000 0.235 703 R C 2.275 178.537 176.300 -0.063 0.000 1.131 703 R CA 1.625 57.718 56.100 -0.011 0.000 0.960 703 R CB -0.203 30.105 30.300 0.015 0.000 0.856 703 R HN 0.312 nan 8.270 nan 0.000 0.436 704 I N -0.161 120.324 120.570 -0.142 0.000 2.202 704 I HA -0.310 3.862 4.170 0.002 0.000 0.242 704 I C 2.578 178.510 176.117 -0.309 0.000 1.091 704 I CA 0.810 61.903 61.300 -0.345 0.000 1.368 704 I CB -0.319 37.298 38.000 -0.638 0.000 1.058 704 I HN 0.265 nan 8.210 nan 0.000 0.410 705 C N 0.620 119.807 119.300 -0.188 0.000 2.413 705 C HA -0.173 4.288 4.460 0.002 0.000 0.277 705 C C 2.970 177.949 174.990 -0.018 0.000 1.265 705 C CA 0.993 59.967 59.018 -0.073 0.000 1.752 705 C CB -1.192 26.541 27.740 -0.012 0.000 1.998 705 C HN 0.392 nan 8.230 nan 0.000 0.489 706 R N 0.714 121.198 120.500 -0.026 0.000 2.097 706 R HA -0.169 4.173 4.340 0.002 0.000 0.236 706 R C 2.278 178.580 176.300 0.002 0.000 1.135 706 R CA 1.730 57.833 56.100 0.004 0.000 0.934 706 R CB -0.238 30.066 30.300 0.007 0.000 0.846 706 R HN 0.543 nan 8.270 nan 0.000 0.431 707 K N -0.523 119.872 120.400 -0.007 0.000 2.281 707 K HA -0.070 4.251 4.320 0.002 0.000 0.203 707 K C 1.291 177.932 176.600 0.067 0.000 1.046 707 K CA 0.991 57.308 56.287 0.050 0.000 0.938 707 K CB -0.037 32.532 32.500 0.115 0.000 0.737 707 K HN 0.266 nan 8.250 nan 0.000 0.458 708 G N 0.155 108.980 108.800 0.043 0.000 2.695 708 G HA2 0.364 4.325 3.960 0.002 0.000 0.213 708 G HA3 0.364 4.325 3.960 0.002 0.000 0.213 708 G C -0.790 174.089 174.900 -0.035 0.000 1.406 708 G CA -0.699 44.473 45.100 0.121 0.000 1.049 708 G HN 0.034 nan 8.290 nan 0.000 0.573 709 F N 1.061 121.314 119.950 0.506 0.000 2.291 709 F HA 0.339 4.868 4.527 0.002 0.000 0.368 709 F C -1.398 174.625 175.800 0.370 0.000 1.085 709 F CA -1.841 56.420 58.000 0.435 0.000 1.165 709 F CB 2.346 41.647 39.000 0.502 0.000 1.429 709 F HN 0.183 nan 8.300 nan 0.000 0.503 710 P HA -0.044 nan 4.420 nan 0.000 0.224 710 P C -0.254 177.127 177.300 0.135 0.000 1.157 710 P CA 0.835 64.060 63.100 0.209 0.000 0.799 710 P CB 0.339 32.119 31.700 0.133 0.000 0.809 711 N N 1.328 120.130 118.700 0.170 0.000 2.438 711 N HA 0.276 5.017 4.740 0.002 0.000 0.282 711 N C -0.152 175.296 175.510 -0.103 0.000 1.037 711 N CA -0.141 52.970 53.050 0.102 0.000 0.942 711 N CB 0.957 39.597 38.487 0.256 0.000 1.136 711 N HN 0.071 nan 8.380 nan 0.000 0.481 712 R N 1.794 122.131 120.500 -0.272 0.000 2.515 712 R HA 0.531 4.872 4.340 0.002 0.000 0.291 712 R C -0.801 175.244 176.300 -0.425 0.000 1.046 712 R CA -0.512 55.214 56.100 -0.624 0.000 0.914 712 R CB 1.429 31.136 30.300 -0.988 0.000 1.191 712 R HN 0.444 nan 8.270 nan 0.000 0.435 713 I N 3.788 124.080 120.570 -0.464 0.000 2.530 713 I HA 0.427 4.599 4.170 0.002 0.000 0.297 713 I C 0.279 176.188 176.117 -0.346 0.000 1.011 713 I CA -0.912 60.230 61.300 -0.263 0.000 1.107 713 I CB 1.888 39.864 38.000 -0.040 0.000 1.285 713 I HN 0.417 nan 8.210 nan 0.000 0.436 714 I N 3.834 124.269 120.570 -0.224 0.000 2.634 714 I HA 0.061 4.232 4.170 0.002 0.000 0.284 714 I C 0.668 176.707 176.117 -0.129 0.000 1.124 714 I CA -0.128 61.021 61.300 -0.252 0.000 1.417 714 I CB 0.168 38.093 38.000 -0.125 0.000 1.396 714 I HN 0.641 nan 8.210 nan 0.000 0.571 715 Y N 2.718 123.012 120.300 -0.011 0.000 2.193 715 Y HA -0.295 4.256 4.550 0.002 0.000 0.285 715 Y C 2.826 178.789 175.900 0.105 0.000 1.166 715 Y CA 1.372 59.498 58.100 0.043 0.000 1.181 715 Y CB -0.154 38.314 38.460 0.014 0.000 0.976 715 Y HN 0.804 nan 8.280 nan 0.000 0.520 716 S N -0.125 115.687 115.700 0.187 0.000 2.345 716 S HA -0.224 4.247 4.470 0.002 0.000 0.220 716 S C 1.666 176.319 174.600 0.089 0.000 1.031 716 S CA 1.273 59.543 58.200 0.117 0.000 0.996 716 S CB -0.600 62.635 63.200 0.058 0.000 0.882 716 S HN 0.480 nan 8.310 nan 0.000 0.445 717 E N 0.105 120.345 120.200 0.066 0.000 2.171 717 E HA -0.132 4.220 4.350 0.002 0.000 0.197 717 E C 1.652 178.287 176.600 0.059 0.000 0.997 717 E CA 1.240 57.657 56.400 0.029 0.000 0.810 717 E CB -0.230 29.481 29.700 0.017 0.000 0.738 717 E HN 0.629 nan 8.360 nan 0.000 0.467 718 F N 1.293 121.260 119.950 0.028 0.000 2.187 718 F HA -0.056 4.473 4.527 0.002 0.000 0.295 718 F C 2.281 178.114 175.800 0.055 0.000 1.091 718 F CA 1.225 59.288 58.000 0.106 0.000 1.308 718 F CB 0.039 39.186 39.000 0.246 0.000 1.030 718 F HN -0.231 nan 8.300 nan 0.000 0.487 719 K N 0.234 120.766 120.400 0.220 0.000 2.020 719 K HA -0.313 4.008 4.320 0.002 0.000 0.212 719 K C 2.228 178.790 176.600 -0.063 0.000 1.050 719 K CA 2.089 58.432 56.287 0.094 0.000 0.929 719 K CB -0.475 32.086 32.500 0.101 0.000 0.714 719 K HN 0.397 nan 8.250 nan 0.000 0.443 720 Q N -0.092 119.657 119.800 -0.085 0.000 2.291 720 Q HA -0.183 4.158 4.340 0.002 0.000 0.205 720 Q C 1.910 177.749 176.000 -0.268 0.000 0.970 720 Q CA 1.294 57.009 55.803 -0.147 0.000 0.876 720 Q CB 0.133 28.800 28.738 -0.118 0.000 0.935 720 Q HN 0.142 nan 8.270 nan 0.000 0.455 721 R N -1.311 118.921 120.500 -0.446 0.000 2.175 721 R HA 0.025 4.367 4.340 0.002 0.000 0.202 721 R C 0.594 176.310 176.300 -0.974 0.000 1.018 721 R CA 1.123 56.758 56.100 -0.775 0.000 1.029 721 R CB 0.229 29.868 30.300 -1.102 0.000 0.959 721 R HN 0.327 nan 8.270 nan 0.000 0.480 722 Y N -1.108 118.930 120.300 -0.438 0.000 2.453 722 Y HA 0.329 4.880 4.550 0.002 0.000 0.247 722 Y C 1.820 177.571 175.900 -0.249 0.000 1.124 722 Y CA -0.188 57.662 58.100 -0.415 0.000 1.243 722 Y CB 0.716 38.740 38.460 -0.726 0.000 1.213 722 Y HN -0.045 nan 8.280 nan 0.000 0.523 723 S N 1.175 116.815 115.700 -0.100 0.000 2.389 723 S HA -0.278 4.194 4.470 0.002 0.000 0.231 723 S C 1.964 176.548 174.600 -0.028 0.000 1.052 723 S CA 1.698 59.877 58.200 -0.035 0.000 1.053 723 S CB -0.445 62.728 63.200 -0.044 0.000 0.886 723 S HN 0.541 nan 8.310 nan 0.000 0.456 724 I N 1.101 121.640 120.570 -0.052 0.000 2.502 724 I HA -0.193 3.978 4.170 0.002 0.000 0.258 724 I C 1.549 177.658 176.117 -0.012 0.000 1.172 724 I CA 1.117 62.393 61.300 -0.040 0.000 1.430 724 I CB -0.045 37.922 38.000 -0.056 0.000 1.086 724 I HN 0.305 nan 8.210 nan 0.000 0.440 725 L N 0.432 121.659 121.223 0.008 0.000 2.395 725 L HA 0.032 4.373 4.340 0.002 0.000 0.218 725 L C 1.027 177.906 176.870 0.015 0.000 1.130 725 L CA 0.766 55.615 54.840 0.014 0.000 0.826 725 L CB -0.217 41.852 42.059 0.017 0.000 0.941 725 L HN 0.332 nan 8.230 nan 0.000 0.451 726 A N 0.064 122.895 122.820 0.019 0.000 3.455 726 A HA 0.361 4.682 4.320 0.002 0.000 0.225 726 A C -2.422 175.173 177.584 0.019 0.000 1.052 726 A CA -0.742 51.309 52.037 0.024 0.000 1.005 726 A CB -0.281 18.742 19.000 0.038 0.000 1.318 726 A HN -0.080 nan 8.150 nan 0.000 0.639 727 P HA 0.337 nan 4.420 nan 0.000 0.271 727 P C -0.666 176.638 177.300 0.007 0.000 1.233 727 P CA 0.239 63.339 63.100 -0.000 0.000 0.789 727 P CB 0.886 32.578 31.700 -0.013 0.000 0.951 728 N N -1.948 116.756 118.700 0.006 0.000 2.859 728 N HA 0.332 5.073 4.740 0.002 0.000 0.250 728 N C 0.047 175.565 175.510 0.013 0.000 1.341 728 N CA -0.563 52.495 53.050 0.013 0.000 0.881 728 N CB 0.191 38.690 38.487 0.021 0.000 1.516 728 N HN 0.202 nan 8.380 nan 0.000 0.503 729 A N -0.013 122.819 122.820 0.019 0.000 2.225 729 A HA 0.125 4.446 4.320 0.002 0.000 0.215 729 A C 0.287 177.893 177.584 0.038 0.000 1.164 729 A CA 0.528 52.579 52.037 0.024 0.000 0.710 729 A CB -0.652 18.365 19.000 0.028 0.000 0.780 729 A HN 0.476 nan 8.150 nan 0.000 0.473 730 V N 2.973 122.914 119.914 0.045 0.000 2.446 730 V HA 0.116 4.237 4.120 0.002 0.000 0.276 730 V C -2.005 174.124 176.094 0.058 0.000 1.030 730 V CA -1.382 60.964 62.300 0.078 0.000 1.033 730 V CB 0.336 32.207 31.823 0.079 0.000 0.993 730 V HN 0.322 nan 8.190 nan 0.000 0.477 731 P HA -0.053 nan 4.420 nan 0.000 0.255 731 P C 1.142 178.357 177.300 -0.141 0.000 1.161 731 P CA 0.591 63.645 63.100 -0.077 0.000 0.768 731 P CB 0.499 32.089 31.700 -0.184 0.000 0.746 732 S N 3.646 119.273 115.700 -0.122 0.000 2.414 732 S HA -0.248 4.224 4.470 0.002 0.000 0.241 732 S C 2.097 176.618 174.600 -0.132 0.000 1.079 732 S CA 2.212 60.349 58.200 -0.105 0.000 1.087 732 S CB -0.753 62.386 63.200 -0.103 0.000 0.927 732 S HN 0.725 nan 8.310 nan 0.000 0.456 733 G N -0.841 107.802 108.800 -0.261 0.000 2.403 733 G HA2 -0.044 3.917 3.960 0.002 0.000 0.216 733 G HA3 -0.044 3.917 3.960 0.002 0.000 0.216 733 G C 1.047 175.863 174.900 -0.139 0.000 1.154 733 G CA 0.379 45.328 45.100 -0.251 0.000 0.784 733 G HN 0.622 nan 8.290 nan 0.000 0.538 734 F N 1.703 121.652 119.950 -0.002 0.000 2.748 734 F HA 0.410 4.939 4.527 0.002 0.000 0.299 734 F C 1.882 177.682 175.800 0.001 0.000 1.154 734 F CA -0.392 57.607 58.000 -0.001 0.000 1.446 734 F CB 0.109 39.108 39.000 -0.001 0.000 1.112 734 F HN 0.100 nan 8.300 nan 0.000 0.584 735 A N 0.718 123.618 122.820 0.133 0.000 2.371 735 A HA 0.095 4.416 4.320 0.002 0.000 0.257 735 A C -0.164 177.456 177.584 0.060 0.000 1.089 735 A CA -0.482 51.606 52.037 0.085 0.000 0.794 735 A CB 0.139 19.169 19.000 0.050 0.000 1.029 735 A HN 0.176 nan 8.150 nan 0.000 0.488 736 D N 1.859 122.286 120.400 0.044 0.000 2.225 736 D HA 0.319 4.960 4.640 0.002 0.000 0.248 736 D C 1.358 177.667 176.300 0.014 0.000 1.096 736 D CA 0.459 54.476 54.000 0.027 0.000 0.863 736 D CB 1.582 42.386 40.800 0.006 0.000 1.156 736 D HN 0.455 nan 8.370 nan 0.000 0.450 737 G N 4.321 113.145 108.800 0.040 0.000 2.514 737 G HA2 -0.325 3.636 3.960 0.002 0.000 0.217 737 G HA3 -0.325 3.636 3.960 0.002 0.000 0.217 737 G C 1.395 176.242 174.900 -0.090 0.000 1.198 737 G CA 1.023 46.167 45.100 0.074 0.000 0.780 737 G HN 0.620 nan 8.290 nan 0.000 0.565 738 K N -0.163 120.025 120.400 -0.352 0.000 2.044 738 K HA -0.103 4.218 4.320 0.002 0.000 0.210 738 K C 2.651 178.990 176.600 -0.434 0.000 1.049 738 K CA 1.569 57.285 56.287 -0.952 0.000 0.927 738 K CB -0.393 31.596 32.500 -0.851 0.000 0.713 738 K HN 0.183 nan 8.250 nan 0.000 0.443 739 V N 0.677 120.468 119.914 -0.205 0.000 2.252 739 V HA -0.281 3.840 4.120 0.002 0.000 0.249 739 V C 2.341 178.409 176.094 -0.044 0.000 1.056 739 V CA 1.873 64.115 62.300 -0.098 0.000 1.022 739 V CB -0.301 31.497 31.823 -0.042 0.000 0.641 739 V HN 0.206 nan 8.190 nan 0.000 0.445 740 V N -0.481 119.430 119.914 -0.005 0.000 2.343 740 V HA -0.282 3.839 4.120 0.002 0.000 0.247 740 V C 2.554 178.735 176.094 0.144 0.000 1.051 740 V CA 2.635 64.976 62.300 0.070 0.000 1.036 740 V CB -0.898 30.982 31.823 0.095 0.000 0.654 740 V HN 0.634 nan 8.190 nan 0.000 0.451 741 T N -0.583 114.054 114.554 0.138 0.000 2.684 741 T HA -0.236 4.115 4.350 0.002 0.000 0.267 741 T C 1.785 176.506 174.700 0.035 0.000 1.036 741 T CA 1.834 64.048 62.100 0.189 0.000 1.148 741 T CB -0.397 68.406 68.868 -0.108 0.000 0.863 741 T HN 0.543 nan 8.240 nan 0.000 0.436 742 D N 1.077 121.439 120.400 -0.062 0.000 2.088 742 D HA -0.099 4.543 4.640 0.002 0.000 0.191 742 D C 2.128 178.450 176.300 0.037 0.000 0.992 742 D CA 1.321 55.309 54.000 -0.021 0.000 0.831 742 D CB -0.140 40.632 40.800 -0.047 0.000 0.973 742 D HN 0.302 nan 8.370 nan 0.000 0.447 743 K N 0.123 120.547 120.400 0.039 0.000 2.211 743 K HA -0.107 4.215 4.320 0.002 0.000 0.204 743 K C 2.089 178.734 176.600 0.075 0.000 1.047 743 K CA 1.087 57.406 56.287 0.053 0.000 0.935 743 K CB -0.100 32.425 32.500 0.042 0.000 0.728 743 K HN 0.135 nan 8.250 nan 0.000 0.452 744 A N 1.252 124.145 122.820 0.122 0.000 1.897 744 A HA -0.054 4.268 4.320 0.002 0.000 0.215 744 A C 2.072 179.712 177.584 0.094 0.000 1.181 744 A CA 0.903 53.022 52.037 0.136 0.000 0.620 744 A CB -0.411 18.739 19.000 0.250 0.000 0.821 744 A HN 0.134 nan 8.150 nan 0.000 0.443 745 L N -0.266 121.000 121.223 0.072 0.000 2.141 745 L HA -0.132 4.209 4.340 0.002 0.000 0.209 745 L C 2.765 179.655 176.870 0.033 0.000 1.094 745 L CA 1.180 55.995 54.840 -0.040 0.000 0.763 745 L CB -0.382 41.498 42.059 -0.297 0.000 0.908 745 L HN 0.323 nan 8.230 nan 0.000 0.437 746 S N 0.297 116.041 115.700 0.074 0.000 2.335 746 S HA -0.153 4.318 4.470 0.002 0.000 0.216 746 S C 2.283 176.919 174.600 0.060 0.000 1.032 746 S CA 1.110 59.363 58.200 0.088 0.000 1.000 746 S CB -0.471 62.775 63.200 0.076 0.000 0.928 746 S HN 0.468 nan 8.310 nan 0.000 0.434 747 A N 1.280 124.128 122.820 0.048 0.000 2.009 747 A HA -0.143 4.178 4.320 0.002 0.000 0.222 747 A C 1.895 179.496 177.584 0.029 0.000 1.175 747 A CA 1.448 53.506 52.037 0.036 0.000 0.651 747 A CB -0.860 18.160 19.000 0.034 0.000 0.815 747 A HN 0.497 nan 8.150 nan 0.000 0.459 748 L N -1.274 119.963 121.223 0.023 0.000 2.591 748 L HA 0.019 4.360 4.340 0.002 0.000 0.228 748 L C 0.273 177.157 176.870 0.025 0.000 1.133 748 L CA 0.091 54.937 54.840 0.010 0.000 0.880 748 L CB -0.363 41.683 42.059 -0.021 0.000 1.033 748 L HN 0.494 nan 8.230 nan 0.000 0.450 749 Q N 0.716 120.544 119.800 0.046 0.000 2.439 749 Q HA -0.219 4.122 4.340 0.002 0.000 0.325 749 Q C -0.329 175.717 176.000 0.075 0.000 1.372 749 Q CA 0.294 56.134 55.803 0.062 0.000 0.909 749 Q CB -1.322 27.443 28.738 0.044 0.000 1.167 749 Q HN 0.260 nan 8.270 nan 0.000 0.418 750 L N 0.945 122.232 121.223 0.107 0.000 2.326 750 L HA 0.278 4.619 4.340 0.002 0.000 0.278 750 L C 0.247 177.251 176.870 0.223 0.000 1.092 750 L CA -0.125 54.794 54.840 0.133 0.000 0.810 750 L CB 1.109 43.221 42.059 0.088 0.000 1.153 750 L HN 0.097 nan 8.230 nan 0.000 0.439 751 D N 6.151 126.650 120.400 0.166 0.000 2.581 751 D HA -0.023 4.618 4.640 0.002 0.000 0.238 751 D C -1.757 174.622 176.300 0.131 0.000 1.145 751 D CA -1.141 52.938 54.000 0.132 0.000 0.866 751 D CB 1.257 42.117 40.800 0.100 0.000 1.151 751 D HN 0.383 nan 8.370 nan 0.000 0.500 752 P HA -0.129 nan 4.420 nan 0.000 0.220 752 P C 0.961 178.116 177.300 -0.241 0.000 1.144 752 P CA 0.718 63.648 63.100 -0.283 0.000 0.800 752 P CB 0.246 31.845 31.700 -0.168 0.000 0.772 753 N N -0.682 118.000 118.700 -0.029 0.000 2.270 753 N HA -0.094 4.647 4.740 0.002 0.000 0.181 753 N C 1.276 176.907 175.510 0.202 0.000 1.016 753 N CA 0.862 53.953 53.050 0.068 0.000 0.870 753 N CB -0.266 38.260 38.487 0.066 0.000 0.979 753 N HN 0.123 nan 8.380 nan 0.000 0.431 754 E N 0.345 120.679 120.200 0.223 0.000 2.515 754 E HA -0.077 4.274 4.350 0.002 0.000 0.201 754 E C -0.239 176.739 176.600 0.630 0.000 1.071 754 E CA 0.411 57.031 56.400 0.367 0.000 0.880 754 E CB -0.279 29.597 29.700 0.292 0.000 0.828 754 E HN 0.533 nan 8.360 nan 0.000 0.540 755 Y N -2.912 117.612 120.300 0.373 0.000 2.732 755 Y HA 0.565 5.117 4.550 0.002 0.000 0.342 755 Y C -1.015 174.895 175.900 0.017 0.000 1.203 755 Y CA -1.438 56.856 58.100 0.324 0.000 1.092 755 Y CB 0.848 39.582 38.460 0.456 0.000 1.345 755 Y HN -0.333 nan 8.280 nan 0.000 0.458 756 R N 1.751 122.224 120.500 -0.046 0.000 2.698 756 R HA 0.627 4.968 4.340 0.002 0.000 0.275 756 R C -1.855 174.415 176.300 -0.050 0.000 1.001 756 R CA -1.109 54.846 56.100 -0.242 0.000 0.896 756 R CB 2.861 32.791 30.300 -0.616 0.000 1.218 756 R HN 0.779 nan 8.270 nan 0.000 0.462 757 L N 1.642 122.857 121.223 -0.014 0.000 2.265 757 L HA 0.475 4.816 4.340 0.002 0.000 0.289 757 L C 0.806 177.703 176.870 0.046 0.000 1.033 757 L CA -0.561 54.336 54.840 0.095 0.000 0.814 757 L CB 1.597 43.741 42.059 0.142 0.000 1.203 757 L HN 0.717 nan 8.230 nan 0.000 0.423 758 G N 1.184 110.033 108.800 0.081 0.000 2.488 758 G HA2 0.165 4.126 3.960 0.002 0.000 0.318 758 G HA3 0.165 4.126 3.960 0.002 0.000 0.318 758 G C 0.597 175.549 174.900 0.087 0.000 1.188 758 G CA -0.592 44.527 45.100 0.033 0.000 0.944 758 G HN 0.617 nan 8.290 nan 0.000 0.495 759 N N -0.455 118.275 118.700 0.050 0.000 2.334 759 N HA -0.145 4.597 4.740 0.002 0.000 0.187 759 N C 1.882 177.437 175.510 0.075 0.000 1.016 759 N CA 1.930 55.024 53.050 0.074 0.000 0.879 759 N CB 0.030 38.535 38.487 0.029 0.000 0.965 759 N HN 0.667 nan 8.380 nan 0.000 0.438 760 T N -4.395 110.122 114.554 -0.061 0.000 3.046 760 T HA 0.265 4.616 4.350 0.002 0.000 0.270 760 T C 0.205 174.561 174.700 -0.573 0.000 0.920 760 T CA -0.368 61.621 62.100 -0.183 0.000 0.874 760 T CB 0.842 69.645 68.868 -0.108 0.000 1.214 760 T HN 0.000 nan 8.240 nan 0.000 0.536 761 K N 0.544 120.572 120.400 -0.620 0.000 2.512 761 K HA 0.730 5.051 4.320 0.002 0.000 0.263 761 K C -1.860 174.347 176.600 -0.655 0.000 0.966 761 K CA -1.049 54.760 56.287 -0.795 0.000 0.851 761 K CB 3.153 35.313 32.500 -0.565 0.000 1.395 761 K HN -0.014 nan 8.250 nan 0.000 0.440 762 V N 2.777 122.287 119.914 -0.673 0.000 2.370 762 V HA 0.454 4.575 4.120 0.002 0.000 0.283 762 V C -1.378 174.316 176.094 -0.666 0.000 1.023 762 V CA -0.537 61.500 62.300 -0.437 0.000 0.857 762 V CB 0.125 31.636 31.823 -0.520 0.000 0.985 762 V HN 0.544 nan 8.190 nan 0.000 0.443 763 F N 7.410 127.026 119.950 -0.556 0.000 2.410 763 F HA 0.565 5.093 4.527 0.002 0.000 0.348 763 F C 0.240 175.932 175.800 -0.181 0.000 1.106 763 F CA -0.198 57.551 58.000 -0.419 0.000 1.163 763 F CB 0.704 39.425 39.000 -0.464 0.000 1.129 763 F HN 0.388 nan 8.300 nan 0.000 0.516 764 F N 2.311 122.451 119.950 0.318 0.000 2.594 764 F HA 0.507 5.035 4.527 0.002 0.000 0.335 764 F C 0.691 176.779 175.800 0.480 0.000 1.058 764 F CA -1.142 57.076 58.000 0.364 0.000 0.981 764 F CB 1.707 40.821 39.000 0.190 0.000 1.289 764 F HN 0.287 nan 8.300 nan 0.000 0.490 765 K N 0.407 121.164 120.400 0.596 0.000 2.220 765 K HA 0.679 5.000 4.320 0.002 0.000 0.265 765 K C -0.719 176.009 176.600 0.213 0.000 0.988 765 K CA -0.780 55.704 56.287 0.329 0.000 1.369 765 K CB 0.485 33.110 32.500 0.207 0.000 2.234 765 K HN 0.581 nan 8.250 nan 0.000 0.900 766 A N -0.142 122.764 122.820 0.143 0.000 2.331 766 A HA 0.484 4.805 4.320 0.002 0.000 0.283 766 A C 0.808 178.468 177.584 0.126 0.000 1.142 766 A CA 0.522 52.635 52.037 0.127 0.000 0.812 766 A CB 0.016 19.108 19.000 0.153 0.000 1.074 766 A HN 0.772 nan 8.150 nan 0.000 0.497 767 G N 1.045 109.855 108.800 0.018 0.000 2.257 767 G HA2 -0.307 3.654 3.960 0.002 0.000 0.267 767 G HA3 -0.307 3.654 3.960 0.002 0.000 0.267 767 G C 1.089 175.941 174.900 -0.080 0.000 0.984 767 G CA 0.948 46.038 45.100 -0.016 0.000 0.626 767 G HN 1.197 nan 8.290 nan 0.000 0.540 768 V N 1.442 121.307 119.914 -0.081 0.000 2.219 768 V HA -0.249 3.872 4.120 0.002 0.000 0.248 768 V C 2.919 178.830 176.094 -0.305 0.000 1.053 768 V CA 2.535 64.694 62.300 -0.235 0.000 1.009 768 V CB -0.790 30.781 31.823 -0.420 0.000 0.636 768 V HN 0.477 nan 8.190 nan 0.000 0.445 769 L N 0.489 121.577 121.223 -0.225 0.000 2.189 769 L HA -0.144 4.197 4.340 0.002 0.000 0.214 769 L C 2.591 179.426 176.870 -0.059 0.000 1.097 769 L CA 1.534 56.334 54.840 -0.068 0.000 0.764 769 L CB -1.208 40.994 42.059 0.238 0.000 0.900 769 L HN 0.539 nan 8.230 nan 0.000 0.436 770 G N -0.370 108.324 108.800 -0.178 0.000 2.418 770 G HA2 -0.296 3.665 3.960 0.002 0.000 0.217 770 G HA3 -0.296 3.665 3.960 0.002 0.000 0.217 770 G C 1.619 176.504 174.900 -0.024 0.000 1.158 770 G CA 0.781 45.760 45.100 -0.202 0.000 0.771 770 G HN 0.241 nan 8.290 nan 0.000 0.545 771 M N -0.003 119.570 119.600 -0.044 0.000 2.081 771 M HA 0.095 4.577 4.480 0.002 0.000 0.261 771 M C 2.580 178.827 176.300 -0.089 0.000 1.075 771 M CA 1.157 56.440 55.300 -0.028 0.000 1.133 771 M CB -0.271 32.301 32.600 -0.046 0.000 1.330 771 M HN 0.178 nan 8.290 nan 0.000 0.414 772 L N 0.135 121.228 121.223 -0.217 0.000 2.051 772 L HA -0.275 4.066 4.340 0.002 0.000 0.214 772 L C 2.392 179.166 176.870 -0.160 0.000 1.076 772 L CA 1.604 56.223 54.840 -0.370 0.000 0.758 772 L CB -1.020 40.518 42.059 -0.868 0.000 0.890 772 L HN 0.381 nan 8.230 nan 0.000 0.433 773 E N 0.426 120.610 120.200 -0.025 0.000 2.077 773 E HA -0.260 4.091 4.350 0.002 0.000 0.193 773 E C 1.707 178.338 176.600 0.052 0.000 0.989 773 E CA 1.638 58.085 56.400 0.079 0.000 0.800 773 E CB -0.136 29.588 29.700 0.040 0.000 0.746 773 E HN 0.467 nan 8.360 nan 0.000 0.452 774 D N -1.349 119.081 120.400 0.049 0.000 2.219 774 D HA -0.099 4.542 4.640 0.002 0.000 0.205 774 D C 1.748 178.074 176.300 0.042 0.000 0.970 774 D CA 0.942 54.986 54.000 0.073 0.000 0.851 774 D CB 0.088 40.951 40.800 0.105 0.000 0.943 774 D HN 0.200 nan 8.370 nan 0.000 0.488 775 M N -0.547 119.060 119.600 0.011 0.000 2.288 775 M HA 0.004 4.485 4.480 0.002 0.000 0.266 775 M C 2.343 178.651 176.300 0.013 0.000 1.072 775 M CA 0.608 55.909 55.300 0.001 0.000 1.132 775 M CB -0.076 32.505 32.600 -0.032 0.000 1.386 775 M HN 0.031 nan 8.290 nan 0.000 0.432 776 R N 0.687 121.206 120.500 0.032 0.000 2.062 776 R HA -0.174 4.167 4.340 0.002 0.000 0.229 776 R C 1.846 178.157 176.300 0.019 0.000 1.128 776 R CA 1.865 57.989 56.100 0.041 0.000 0.960 776 R CB -0.264 30.092 30.300 0.094 0.000 0.855 776 R HN 0.172 nan 8.270 nan 0.000 0.432 777 D N 0.458 120.873 120.400 0.025 0.000 2.123 777 D HA -0.213 4.428 4.640 0.002 0.000 0.196 777 D C 1.662 177.974 176.300 0.019 0.000 0.992 777 D CA 1.503 55.515 54.000 0.021 0.000 0.833 777 D CB -0.035 40.791 40.800 0.044 0.000 0.954 777 D HN 0.283 nan 8.370 nan 0.000 0.455 778 E N 0.172 120.386 120.200 0.024 0.000 2.012 778 E HA -0.201 4.150 4.350 0.002 0.000 0.197 778 E C 2.120 178.728 176.600 0.013 0.000 1.007 778 E CA 1.406 57.817 56.400 0.019 0.000 0.816 778 E CB -0.263 29.448 29.700 0.019 0.000 0.762 778 E HN -0.037 nan 8.360 nan 0.000 0.451 779 R N 0.115 120.622 120.500 0.010 0.000 2.103 779 R HA -0.139 4.202 4.340 0.002 0.000 0.242 779 R C 2.407 178.708 176.300 0.001 0.000 1.142 779 R CA 1.579 57.683 56.100 0.006 0.000 0.960 779 R CB -1.153 29.150 30.300 0.005 0.000 0.858 779 R HN 0.389 nan 8.270 nan 0.000 0.439 780 L N -0.138 121.082 121.223 -0.005 0.000 2.046 780 L HA -0.113 4.228 4.340 0.002 0.000 0.208 780 L C 2.256 179.122 176.870 -0.006 0.000 1.077 780 L CA 2.230 57.060 54.840 -0.016 0.000 0.747 780 L CB -0.944 41.099 42.059 -0.026 0.000 0.896 780 L HN 0.230 nan 8.230 nan 0.000 0.432 781 S N -0.813 114.889 115.700 0.004 0.000 2.368 781 S HA -0.264 4.207 4.470 0.002 0.000 0.225 781 S C 2.121 176.733 174.600 0.020 0.000 1.030 781 S CA 1.711 59.918 58.200 0.012 0.000 0.999 781 S CB -0.270 62.939 63.200 0.014 0.000 0.844 781 S HN 0.522 nan 8.310 nan 0.000 0.459 782 K N 0.681 121.093 120.400 0.019 0.000 2.032 782 K HA -0.027 4.294 4.320 0.002 0.000 0.209 782 K C 1.923 178.545 176.600 0.036 0.000 1.048 782 K CA 1.771 58.074 56.287 0.027 0.000 0.927 782 K CB -0.355 32.160 32.500 0.024 0.000 0.712 782 K HN 0.400 nan 8.250 nan 0.000 0.441 783 I N 0.819 121.404 120.570 0.024 0.000 2.530 783 I HA -0.260 3.912 4.170 0.002 0.000 0.257 783 I C 2.023 178.169 176.117 0.048 0.000 1.179 783 I CA 0.981 62.295 61.300 0.024 0.000 1.440 783 I CB -0.116 37.877 38.000 -0.012 0.000 1.087 783 I HN 0.243 nan 8.210 nan 0.000 0.440 784 I N -0.403 120.193 120.570 0.044 0.000 2.406 784 I HA -0.198 3.973 4.170 0.002 0.000 0.249 784 I C 2.540 178.727 176.117 0.116 0.000 1.122 784 I CA 0.878 62.224 61.300 0.076 0.000 1.431 784 I CB -0.114 37.911 38.000 0.042 0.000 1.087 784 I HN 0.066 nan 8.210 nan 0.000 0.424 785 S N 0.717 116.466 115.700 0.082 0.000 2.370 785 S HA -0.207 4.264 4.470 0.002 0.000 0.226 785 S C 2.033 176.696 174.600 0.106 0.000 1.033 785 S CA 1.506 59.752 58.200 0.077 0.000 1.011 785 S CB -0.273 62.959 63.200 0.054 0.000 0.852 785 S HN 0.343 nan 8.310 nan 0.000 0.457 786 M N -0.071 119.604 119.600 0.125 0.000 2.080 786 M HA -0.133 4.348 4.480 0.002 0.000 0.260 786 M C 2.056 178.513 176.300 0.262 0.000 1.068 786 M CA 1.643 57.050 55.300 0.179 0.000 1.109 786 M CB -0.693 31.998 32.600 0.150 0.000 1.342 786 M HN 0.275 nan 8.290 nan 0.000 0.405 787 F N 1.654 121.624 119.950 0.033 0.000 2.095 787 F HA -0.241 4.288 4.527 0.002 0.000 0.298 787 F C 2.486 178.331 175.800 0.075 0.000 1.104 787 F CA 1.822 59.825 58.000 0.004 0.000 1.232 787 F CB -0.601 38.373 39.000 -0.043 0.000 0.987 787 F HN 0.182 nan 8.300 nan 0.000 0.475 788 Q N -0.064 119.810 119.800 0.124 0.000 2.112 788 Q HA -0.246 4.095 4.340 0.002 0.000 0.206 788 Q C 2.438 178.432 176.000 -0.010 0.000 0.987 788 Q CA 1.785 57.597 55.803 0.015 0.000 0.858 788 Q CB -0.667 28.104 28.738 0.055 0.000 0.905 788 Q HN 0.519 nan 8.270 nan 0.000 0.420 789 A N 0.762 123.616 122.820 0.056 0.000 1.917 789 A HA -0.249 4.073 4.320 0.002 0.000 0.219 789 A C 1.528 179.099 177.584 -0.022 0.000 1.182 789 A CA 1.937 53.994 52.037 0.033 0.000 0.633 789 A CB -0.748 18.297 19.000 0.075 0.000 0.819 789 A HN 0.389 nan 8.150 nan 0.000 0.448 790 H N -0.738 118.256 119.070 -0.127 0.000 2.495 790 H HA 0.119 4.676 4.556 0.002 0.000 0.287 790 H C 1.781 176.996 175.328 -0.189 0.000 1.033 790 H CA 1.282 57.237 56.048 -0.154 0.000 1.307 790 H CB -0.127 29.512 29.762 -0.205 0.000 1.401 790 H HN 0.518 nan 8.280 nan 0.000 0.555 791 I N -0.353 120.123 120.570 -0.157 0.000 2.296 791 I HA -0.153 4.018 4.170 0.002 0.000 0.242 791 I C 2.275 178.374 176.117 -0.029 0.000 1.087 791 I CA 0.742 61.947 61.300 -0.159 0.000 1.393 791 I CB -0.168 37.695 38.000 -0.228 0.000 1.093 791 I HN 0.051 nan 8.210 nan 0.000 0.421 792 R N 0.880 121.357 120.500 -0.038 0.000 2.117 792 R HA -0.163 4.178 4.340 0.002 0.000 0.243 792 R C 2.317 178.610 176.300 -0.012 0.000 1.143 792 R CA 1.629 57.719 56.100 -0.017 0.000 0.968 792 R CB -0.640 29.645 30.300 -0.025 0.000 0.863 792 R HN 0.489 nan 8.270 nan 0.000 0.444 793 G N -0.880 107.899 108.800 -0.034 0.000 2.422 793 G HA2 -0.297 3.664 3.960 0.002 0.000 0.218 793 G HA3 -0.297 3.664 3.960 0.002 0.000 0.218 793 G C 1.183 176.088 174.900 0.009 0.000 1.140 793 G CA 0.442 45.510 45.100 -0.053 0.000 0.775 793 G HN 0.370 nan 8.290 nan 0.000 0.545 794 Y N 0.896 121.146 120.300 -0.084 0.000 2.153 794 Y HA 0.066 4.617 4.550 0.002 0.000 0.289 794 Y C 2.665 178.542 175.900 -0.039 0.000 1.127 794 Y CA 1.108 59.175 58.100 -0.056 0.000 1.131 794 Y CB -0.137 38.288 38.460 -0.059 0.000 0.995 794 Y HN 0.060 nan 8.280 nan 0.000 0.505 795 L N -0.542 120.838 121.223 0.262 0.000 2.043 795 L HA -0.288 4.054 4.340 0.002 0.000 0.212 795 L C 2.478 179.379 176.870 0.051 0.000 1.075 795 L CA 1.780 56.717 54.840 0.161 0.000 0.752 795 L CB -0.582 41.535 42.059 0.097 0.000 0.891 795 L HN 0.398 nan 8.230 nan 0.000 0.432 796 M N -0.106 119.503 119.600 0.015 0.000 2.123 796 M HA -0.133 4.348 4.480 0.002 0.000 0.263 796 M C 2.255 178.540 176.300 -0.026 0.000 1.069 796 M CA 1.676 56.968 55.300 -0.012 0.000 1.133 796 M CB -0.469 32.107 32.600 -0.040 0.000 1.356 796 M HN -0.080 nan 8.290 nan 0.000 0.415 797 R N -0.364 120.093 120.500 -0.071 0.000 2.249 797 R HA -0.166 4.175 4.340 0.002 0.000 0.230 797 R C 2.142 178.409 176.300 -0.055 0.000 1.121 797 R CA 1.345 57.398 56.100 -0.078 0.000 0.997 797 R CB -0.168 30.052 30.300 -0.134 0.000 0.867 797 R HN 0.456 nan 8.270 nan 0.000 0.465 798 K N -0.379 119.962 120.400 -0.098 0.000 2.128 798 K HA 0.029 4.350 4.320 0.002 0.000 0.202 798 K C 1.855 178.453 176.600 -0.003 0.000 1.050 798 K CA 0.925 57.156 56.287 -0.094 0.000 0.966 798 K CB 0.041 32.477 32.500 -0.107 0.000 0.759 798 K HN 0.102 nan 8.250 nan 0.000 0.454 799 A N 0.381 123.216 122.820 0.025 0.000 2.019 799 A HA -0.181 4.140 4.320 0.002 0.000 0.219 799 A C 1.929 179.571 177.584 0.096 0.000 1.164 799 A CA 1.109 53.173 52.037 0.046 0.000 0.644 799 A CB -0.789 18.237 19.000 0.043 0.000 0.805 799 A HN 0.542 nan 8.150 nan 0.000 0.449 800 Y N 0.730 121.000 120.300 -0.049 0.000 2.114 800 Y HA -0.239 4.312 4.550 0.002 0.000 0.282 800 Y C 2.311 178.186 175.900 -0.041 0.000 1.165 800 Y CA 2.172 60.245 58.100 -0.045 0.000 1.148 800 Y CB -0.356 38.073 38.460 -0.053 0.000 0.972 800 Y HN 0.290 nan 8.280 nan 0.000 0.504 801 K N 0.433 120.813 120.400 -0.033 0.000 2.063 801 K HA -0.257 4.065 4.320 0.002 0.000 0.208 801 K C 2.335 178.865 176.600 -0.117 0.000 1.048 801 K CA 1.754 57.956 56.287 -0.142 0.000 0.928 801 K CB -0.212 32.241 32.500 -0.079 0.000 0.713 801 K HN 0.316 nan 8.250 nan 0.000 0.442 802 K N 0.911 121.277 120.400 -0.056 0.000 1.973 802 K HA -0.145 4.177 4.320 0.002 0.000 0.212 802 K C 2.242 178.809 176.600 -0.055 0.000 1.047 802 K CA 1.370 57.631 56.287 -0.043 0.000 0.937 802 K CB -0.231 32.260 32.500 -0.015 0.000 0.721 802 K HN 0.100 nan 8.250 nan 0.000 0.440 803 L N 1.055 122.257 121.223 -0.035 0.000 2.064 803 L HA -0.315 4.027 4.340 0.002 0.000 0.216 803 L C 2.755 179.574 176.870 -0.085 0.000 1.077 803 L CA 1.662 56.484 54.840 -0.030 0.000 0.766 803 L CB -0.583 41.494 42.059 0.031 0.000 0.890 803 L HN 0.428 nan 8.230 nan 0.000 0.435 804 Q N -0.341 119.350 119.800 -0.182 0.000 2.030 804 Q HA -0.228 4.114 4.340 0.002 0.000 0.204 804 Q C 1.918 177.838 176.000 -0.132 0.000 0.986 804 Q CA 1.779 57.445 55.803 -0.228 0.000 0.843 804 Q CB -0.211 28.298 28.738 -0.381 0.000 0.904 804 Q HN 0.533 nan 8.270 nan 0.000 0.420 805 D N 0.883 121.217 120.400 -0.110 0.000 2.087 805 D HA -0.178 4.463 4.640 0.002 0.000 0.192 805 D C 1.860 178.127 176.300 -0.055 0.000 0.993 805 D CA 1.276 55.232 54.000 -0.073 0.000 0.828 805 D CB -0.310 40.455 40.800 -0.059 0.000 0.968 805 D HN 0.315 nan 8.370 nan 0.000 0.448 806 Q N -0.007 119.765 119.800 -0.047 0.000 2.443 806 Q HA -0.130 4.211 4.340 0.002 0.000 0.213 806 Q C 2.086 178.067 176.000 -0.032 0.000 0.982 806 Q CA 0.555 56.338 55.803 -0.033 0.000 0.894 806 Q CB 0.018 28.741 28.738 -0.025 0.000 0.947 806 Q HN 0.241 nan 8.270 nan 0.000 0.480 807 R N 0.467 120.942 120.500 -0.040 0.000 2.100 807 R HA -0.065 4.276 4.340 0.002 0.000 0.220 807 R C 1.924 178.205 176.300 -0.032 0.000 1.091 807 R CA 0.444 56.524 56.100 -0.033 0.000 0.986 807 R CB 0.172 30.449 30.300 -0.039 0.000 0.888 807 R HN 0.128 nan 8.270 nan 0.000 0.444 808 I N 1.085 121.631 120.570 -0.040 0.000 2.163 808 I HA -0.169 4.002 4.170 0.002 0.000 0.243 808 I C 2.369 178.470 176.117 -0.027 0.000 1.085 808 I CA 1.747 63.026 61.300 -0.035 0.000 1.347 808 I CB -1.727 36.250 38.000 -0.039 0.000 1.044 808 I HN 0.358 nan 8.210 nan 0.000 0.408 809 G N 0.994 109.778 108.800 -0.027 0.000 2.575 809 G HA2 -0.244 3.717 3.960 0.002 0.000 0.215 809 G HA3 -0.244 3.717 3.960 0.002 0.000 0.215 809 G C 1.712 176.600 174.900 -0.021 0.000 1.262 809 G CA 0.720 45.806 45.100 -0.023 0.000 0.807 809 G HN 0.293 nan 8.290 nan 0.000 0.567 810 L N 0.945 122.156 121.223 -0.020 0.000 2.064 810 L HA -0.178 4.163 4.340 0.002 0.000 0.216 810 L C 3.084 179.944 176.870 -0.016 0.000 1.077 810 L CA 2.746 57.576 54.840 -0.018 0.000 0.766 810 L CB -0.966 41.084 42.059 -0.015 0.000 0.890 810 L HN 0.297 nan 8.230 nan 0.000 0.435 811 T N -0.553 113.991 114.554 -0.016 0.000 2.720 811 T HA -0.220 4.131 4.350 0.002 0.000 0.268 811 T C 1.942 176.635 174.700 -0.013 0.000 1.037 811 T CA 1.738 63.830 62.100 -0.014 0.000 1.144 811 T CB -0.325 68.534 68.868 -0.016 0.000 0.864 811 T HN 0.308 nan 8.240 nan 0.000 0.444 812 L N 0.106 121.320 121.223 -0.014 0.000 2.017 812 L HA -0.034 4.308 4.340 0.002 0.000 0.208 812 L C 2.474 179.336 176.870 -0.013 0.000 1.073 812 L CA 1.294 56.127 54.840 -0.012 0.000 0.745 812 L CB -0.524 41.528 42.059 -0.013 0.000 0.894 812 L HN 0.267 nan 8.230 nan 0.000 0.432 813 I N -0.639 119.920 120.570 -0.018 0.000 2.394 813 I HA -0.286 3.886 4.170 0.002 0.000 0.251 813 I C 2.459 178.565 176.117 -0.017 0.000 1.136 813 I CA 1.275 62.561 61.300 -0.024 0.000 1.425 813 I CB -0.128 37.854 38.000 -0.030 0.000 1.079 813 I HN 0.385 nan 8.210 nan 0.000 0.425 814 Q N 0.013 119.806 119.800 -0.010 0.000 2.250 814 Q HA -0.096 4.246 4.340 0.002 0.000 0.200 814 Q C 2.111 178.112 176.000 0.002 0.000 0.941 814 Q CA 0.507 56.308 55.803 -0.002 0.000 0.872 814 Q CB -0.123 28.613 28.738 -0.003 0.000 0.965 814 Q HN 0.393 nan 8.270 nan 0.000 0.480 815 R N 0.479 120.977 120.500 -0.003 0.000 2.323 815 R HA 0.017 4.359 4.340 0.002 0.000 0.198 815 R C 0.854 177.155 176.300 0.002 0.000 0.988 815 R CA 0.617 56.714 56.100 -0.005 0.000 1.041 815 R CB 0.257 30.552 30.300 -0.009 0.000 0.926 815 R HN 0.160 nan 8.270 nan 0.000 0.476 816 N N -0.793 117.911 118.700 0.007 0.000 2.445 816 N HA 0.003 4.744 4.740 0.002 0.000 0.204 816 N C 1.413 176.950 175.510 0.045 0.000 1.098 816 N CA 0.483 53.544 53.050 0.019 0.000 0.859 816 N CB 0.500 38.990 38.487 0.006 0.000 1.249 816 N HN -0.033 nan 8.380 nan 0.000 0.462 817 V N 2.189 122.122 119.914 0.031 0.000 2.255 817 V HA -0.101 4.020 4.120 0.002 0.000 0.243 817 V C 2.289 178.484 176.094 0.168 0.000 1.038 817 V CA 1.378 63.722 62.300 0.073 0.000 1.008 817 V CB -0.352 31.481 31.823 0.016 0.000 0.645 817 V HN 0.182 nan 8.190 nan 0.000 0.449 818 R N 0.036 120.590 120.500 0.089 0.000 2.140 818 R HA -0.284 4.057 4.340 0.002 0.000 0.250 818 R C 2.376 178.698 176.300 0.037 0.000 1.150 818 R CA 1.932 58.070 56.100 0.064 0.000 0.966 818 R CB -0.401 29.910 30.300 0.020 0.000 0.869 818 R HN 0.273 nan 8.270 nan 0.000 0.445 819 K N -0.119 120.292 120.400 0.018 0.000 2.057 819 K HA -0.171 4.151 4.320 0.002 0.000 0.206 819 K C 1.508 178.069 176.600 -0.066 0.000 1.050 819 K CA 1.250 57.499 56.287 -0.063 0.000 0.935 819 K CB -0.437 32.014 32.500 -0.082 0.000 0.715 819 K HN 0.280 nan 8.250 nan 0.000 0.439 820 W N 0.807 122.020 121.300 -0.145 0.000 2.338 820 W HA -0.165 4.496 4.660 0.001 0.000 0.304 820 W C 1.246 177.713 176.519 -0.086 0.000 1.212 820 W CA 1.515 58.790 57.345 -0.118 0.000 1.264 820 W CB -0.186 29.263 29.460 -0.017 0.000 1.142 820 W HN 0.006 nan 8.180 nan 0.000 0.512 821 L N -0.331 120.985 121.223 0.155 0.000 2.191 821 L HA -0.229 4.113 4.340 0.002 0.000 0.212 821 L C 2.125 178.878 176.870 -0.196 0.000 1.103 821 L CA 1.022 55.823 54.840 -0.066 0.000 0.769 821 L CB -1.108 41.010 42.059 0.098 0.000 0.908 821 L HN -0.033 nan 8.230 nan 0.000 0.438 822 V N -0.072 119.740 119.914 -0.171 0.000 2.251 822 V HA -0.216 3.905 4.120 0.002 0.000 0.237 822 V C 2.315 178.243 176.094 -0.276 0.000 1.040 822 V CA 1.126 63.310 62.300 -0.194 0.000 1.005 822 V CB -0.249 31.459 31.823 -0.192 0.000 0.645 822 V HN 0.257 nan 8.190 nan 0.000 0.458 823 L N 0.837 121.809 121.223 -0.418 0.000 2.230 823 L HA -0.288 4.053 4.340 0.002 0.000 0.217 823 L C 2.528 179.075 176.870 -0.539 0.000 1.090 823 L CA 2.109 56.543 54.840 -0.677 0.000 0.771 823 L CB -0.825 40.454 42.059 -1.300 0.000 0.892 823 L HN 0.534 nan 8.230 nan 0.000 0.438 824 R N -0.221 120.022 120.500 -0.429 0.000 2.377 824 R HA -0.073 4.268 4.340 0.002 0.000 0.207 824 R C 0.589 176.883 176.300 -0.011 0.000 1.075 824 R CA 0.954 56.932 56.100 -0.204 0.000 1.035 824 R CB -0.456 29.465 30.300 -0.632 0.000 0.857 824 R HN 0.416 nan 8.270 nan 0.000 0.475 825 N N -0.483 118.239 118.700 0.036 0.000 2.240 825 N HA -0.018 4.723 4.740 0.002 0.000 0.240 825 N C -1.314 174.360 175.510 0.274 0.000 1.277 825 N CA -0.170 52.945 53.050 0.109 0.000 0.873 825 N CB 0.391 38.903 38.487 0.040 0.000 1.222 825 N HN 0.347 nan 8.380 nan 0.000 0.507 826 W N 2.684 124.049 121.300 0.107 0.000 2.120 826 W HA 0.128 4.790 4.660 0.002 0.000 0.371 826 W C 0.430 177.091 176.519 0.238 0.000 0.865 826 W CA -0.413 57.044 57.345 0.186 0.000 1.529 826 W CB 0.544 30.141 29.460 0.229 0.000 1.623 826 W HN 0.003 nan 8.180 nan 0.000 0.325 827 E N 2.494 122.683 120.200 -0.020 0.000 2.332 827 E HA -0.330 4.022 4.350 0.002 0.000 0.243 827 E C 1.372 177.851 176.600 -0.202 0.000 1.088 827 E CA 3.338 59.602 56.400 -0.226 0.000 1.048 827 E CB -0.863 28.534 29.700 -0.505 0.000 0.911 827 E HN 0.715 nan 8.360 nan 0.000 0.487 828 W N -0.006 121.115 121.300 -0.298 0.000 2.305 828 W HA -0.224 4.437 4.660 0.002 0.000 0.308 828 W C 2.469 179.127 176.519 0.231 0.000 1.226 828 W CA 1.231 58.511 57.345 -0.108 0.000 1.253 828 W CB -0.816 28.489 29.460 -0.258 0.000 1.146 828 W HN 0.324 nan 8.180 nan 0.000 0.507 829 W N 1.842 123.398 121.300 0.427 0.000 2.338 829 W HA -0.272 4.389 4.660 0.002 0.000 0.304 829 W C 1.936 178.489 176.519 0.057 0.000 1.212 829 W CA 1.879 59.446 57.345 0.370 0.000 1.264 829 W CB -0.385 29.301 29.460 0.376 0.000 1.142 829 W HN -0.050 nan 8.180 nan 0.000 0.512 830 R N 0.172 120.678 120.500 0.010 0.000 2.091 830 R HA -0.196 4.146 4.340 0.002 0.000 0.238 830 R C 2.371 178.531 176.300 -0.234 0.000 1.136 830 R CA 1.813 57.793 56.100 -0.201 0.000 0.959 830 R CB -1.048 29.198 30.300 -0.089 0.000 0.856 830 R HN 0.308 nan 8.270 nan 0.000 0.437 831 L N 0.442 121.609 121.223 -0.092 0.000 1.955 831 L HA -0.193 4.148 4.340 0.002 0.000 0.213 831 L C 2.447 179.318 176.870 0.002 0.000 1.072 831 L CA 1.560 56.384 54.840 -0.028 0.000 0.755 831 L CB -0.709 41.388 42.059 0.063 0.000 0.888 831 L HN 0.207 nan 8.230 nan 0.000 0.432 832 F N -0.105 119.835 119.950 -0.017 0.000 2.664 832 F HA -0.072 4.456 4.527 0.002 0.000 0.297 832 F C 1.491 177.202 175.800 -0.148 0.000 1.164 832 F CA 0.893 58.869 58.000 -0.039 0.000 1.472 832 F CB -1.129 37.889 39.000 0.031 0.000 1.108 832 F HN 0.103 nan 8.300 nan 0.000 0.596 833 N N -0.126 118.206 118.700 -0.613 0.000 2.325 833 N HA 0.040 4.781 4.740 0.002 0.000 0.182 833 N C 1.191 176.520 175.510 -0.302 0.000 1.088 833 N CA 0.229 52.888 53.050 -0.650 0.000 0.879 833 N CB 0.206 38.178 38.487 -0.858 0.000 0.983 833 N HN 0.398 nan 8.380 nan 0.000 0.471 834 K N -0.396 119.889 120.400 -0.192 0.000 2.354 834 K HA 0.191 4.513 4.320 0.002 0.000 0.210 834 K C 1.575 178.148 176.600 -0.046 0.000 1.184 834 K CA 0.110 56.334 56.287 -0.105 0.000 0.880 834 K CB -0.176 32.269 32.500 -0.091 0.000 1.328 834 K HN -0.180 nan 8.250 nan 0.000 0.466 835 V N 2.814 122.722 119.914 -0.010 0.000 2.495 835 V HA -0.309 3.812 4.120 0.002 0.000 0.260 835 V C 2.003 178.126 176.094 0.048 0.000 1.097 835 V CA 1.953 64.276 62.300 0.039 0.000 1.105 835 V CB -0.506 31.377 31.823 0.099 0.000 0.678 835 V HN 0.316 nan 8.190 nan 0.000 0.469 836 K N -1.153 119.276 120.400 0.048 0.000 2.262 836 K HA 0.071 4.392 4.320 0.002 0.000 0.200 836 K C -0.484 176.130 176.600 0.023 0.000 1.058 836 K CA 0.363 56.683 56.287 0.055 0.000 0.974 836 K CB -0.576 31.989 32.500 0.109 0.000 0.910 836 K HN 0.397 nan 8.250 nan 0.000 0.484 837 P HA -0.156 nan 4.420 nan 0.000 0.220 837 P C 0.523 177.823 177.300 -0.001 0.000 1.144 837 P CA 1.211 64.306 63.100 -0.008 0.000 0.800 837 P CB -0.017 31.667 31.700 -0.027 0.000 0.772 838 L N -1.375 119.848 121.223 0.000 0.000 2.737 838 L HA 0.140 4.481 4.340 0.002 0.000 0.236 838 L C 1.167 178.043 176.870 0.011 0.000 1.219 838 L CA -0.399 54.443 54.840 0.003 0.000 1.021 838 L CB -0.548 41.510 42.059 -0.002 0.000 1.291 838 L HN -0.041 nan 8.230 nan 0.000 0.470 839 L N 0.000 121.233 121.223 0.016 0.000 2.949 839 L HA 0.000 4.341 4.340 0.002 0.000 0.249 839 L CA 0.000 54.852 54.840 0.020 0.000 0.813 839 L CB 0.000 42.075 42.059 0.026 0.000 0.961 839 L HN 0.000 nan 8.230 nan 0.000 0.502