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 2tmd_1_A DATA FIRST_RESID 1 DATA SEQUENCE ARDPKHDILF EPIQIGPKTL RNRFYQVPHC IGAGSDKPGF QSAHRSVKAE DATA SEQUENCE GGWAALNTEY CSINPESDDT HRLSARIWDE GDVRNLKAMT DEVHKYGALA DATA SEQUENCE GVELWYGGAH APNMESRATP RGPSQYASEF ETLSYCKEMD LSDIAQVQQF DATA SEQUENCE YVDAAKRSRD AGFDIVYVYG AHSYLPLQFL NPYYNKRTDK YGGSLENRAR DATA SEQUENCE FWLETLEKVK HAVGSDCAIA TRFGVDTVYG PGQIEAEVDG QKFVEMADSL DATA SEQUENCE VDMWDITIGD IAEWGEDAGP SRFYQQGHTI PWVKLVKQVS KKPVLGVGRY DATA SEQUENCE TDPEKMIEIV TKGYADIIGC ARPSIADPFL PQKVEQGRYD DIRVCIGCNV DATA SEQUENCE CISRWEIGGP PMICTQNATA GEEYRRGWHP EKFRQTKNKD SVLIVGAGPS DATA SEQUENCE GSEAARVLME SGYTVHLTDT AEKIGGHLNQ VAALPGLGEW SYHRDYRETQ DATA SEQUENCE ITKLLKKNKE SQLALGQKPM TADDVLQYGA DKVIIATGAR WNTDGTNCLT DATA SEQUENCE HDPIPGADAS LPDQLTPEQV MDGKKKIGKR VVILNADTYF MAPSLAEKLA DATA SEQUENCE TAGHEVTIVS GVHLANYMHF TLEYPNMMRR LHELHVEELG DHFCSRIEPG DATA SEQUENCE RMEIYNIWGD GSKRTYRGPG VSPRDANTSH RWIEFDSLVL VTGRHSECTL DATA SEQUENCE WNELKARESE WAENDIKGIY LIGDAEAPRL IADATFTGHR VAREIEEANP DATA SEQUENCE QIAIPYKRET IAWGTPHMPG GNFKIEYKV 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.610 177.584 0.043 0.000 1.274 1 A CA 0.000 52.040 52.037 0.004 0.000 0.836 1 A CB 0.000 18.978 19.000 -0.036 0.000 0.831 2 R N 2.035 122.543 120.500 0.012 0.000 2.458 2 R HA 0.079 4.423 4.340 0.007 0.000 0.303 2 R C -0.987 175.392 176.300 0.131 0.000 1.013 2 R CA 0.048 56.214 56.100 0.109 0.000 1.026 2 R CB 0.049 30.380 30.300 0.051 0.000 0.948 2 R HN 0.392 nan 8.270 nan 0.000 0.417 3 D N 6.736 127.242 120.400 0.178 0.000 2.520 3 D HA -0.042 4.603 4.640 0.007 0.000 0.243 3 D C -1.398 174.841 176.300 -0.102 0.000 1.160 3 D CA -1.475 52.484 54.000 -0.068 0.000 0.877 3 D CB 1.251 41.839 40.800 -0.354 0.000 1.150 3 D HN 0.394 nan 8.370 nan 0.000 0.494 4 P HA -0.129 nan 4.420 nan 0.000 0.228 4 P C 1.057 178.358 177.300 0.001 0.000 1.151 4 P CA 0.682 63.784 63.100 0.004 0.000 0.770 4 P CB 0.295 31.997 31.700 0.003 0.000 0.786 5 K N -0.495 119.853 120.400 -0.087 0.000 2.280 5 K HA -0.140 4.185 4.320 0.007 0.000 0.202 5 K C 1.466 178.120 176.600 0.090 0.000 1.047 5 K CA 1.017 57.274 56.287 -0.051 0.000 0.942 5 K CB -0.391 32.033 32.500 -0.126 0.000 0.739 5 K HN 0.397 nan 8.250 nan 0.000 0.457 6 H N -1.130 118.028 119.070 0.147 0.000 2.529 6 H HA 0.048 4.608 4.556 0.007 0.000 0.277 6 H C 0.597 176.095 175.328 0.283 0.000 1.004 6 H CA -0.386 55.788 56.048 0.210 0.000 1.167 6 H CB 0.555 30.518 29.762 0.335 0.000 1.445 6 H HN 0.174 nan 8.280 nan 0.000 0.554 7 D N 1.049 121.638 120.400 0.316 0.000 2.178 7 D HA -0.127 4.517 4.640 0.007 0.000 0.202 7 D C 2.161 178.614 176.300 0.254 0.000 0.974 7 D CA 0.793 54.983 54.000 0.317 0.000 0.841 7 D CB -0.069 40.834 40.800 0.173 0.000 0.953 7 D HN 0.579 nan 8.370 nan 0.000 0.478 8 I N -1.484 119.167 120.570 0.136 0.000 2.335 8 I HA -0.211 3.963 4.170 0.007 0.000 0.251 8 I C 1.575 177.660 176.117 -0.053 0.000 1.129 8 I CA 0.812 62.136 61.300 0.040 0.000 1.402 8 I CB -0.443 37.556 38.000 -0.002 0.000 1.069 8 I HN -0.099 nan 8.210 nan 0.000 0.424 9 L N 0.495 121.633 121.223 -0.142 0.000 2.450 9 L HA -0.059 4.285 4.340 0.007 0.000 0.224 9 L C 1.414 177.868 176.870 -0.693 0.000 1.149 9 L CA 1.644 56.190 54.840 -0.490 0.000 0.816 9 L CB -1.244 40.474 42.059 -0.570 0.000 0.932 9 L HN 0.309 nan 8.230 nan 0.000 0.449 10 F N -1.459 118.555 119.950 0.106 0.000 2.683 10 F HA 0.258 4.789 4.527 0.008 0.000 0.306 10 F C 1.003 176.844 175.800 0.068 0.000 1.102 10 F CA -0.863 57.201 58.000 0.107 0.000 1.244 10 F CB -0.099 38.962 39.000 0.102 0.000 1.029 10 F HN -0.048 nan 8.300 nan 0.000 0.545 11 E N 3.583 123.848 120.200 0.109 0.000 2.338 11 E HA 0.135 4.489 4.350 0.007 0.000 0.272 11 E C -2.158 174.478 176.600 0.059 0.000 1.029 11 E CA -1.921 54.526 56.400 0.079 0.000 0.872 11 E CB 0.608 30.332 29.700 0.041 0.000 1.015 11 E HN -0.064 nan 8.360 nan 0.000 0.417 12 P HA 0.166 nan 4.420 nan 0.000 0.277 12 P C -0.854 176.472 177.300 0.043 0.000 1.240 12 P CA -0.090 63.049 63.100 0.064 0.000 0.798 12 P CB 0.950 32.690 31.700 0.068 0.000 0.979 13 I N 0.658 121.255 120.570 0.045 0.000 2.534 13 I HA 0.244 4.418 4.170 0.007 0.000 0.288 13 I C -0.549 175.591 176.117 0.038 0.000 1.077 13 I CA -0.969 60.349 61.300 0.031 0.000 1.051 13 I CB 2.222 40.230 38.000 0.015 0.000 1.234 13 I HN 0.178 nan 8.210 nan 0.000 0.425 14 Q N 7.594 127.411 119.800 0.028 0.000 2.293 14 Q HA 0.427 4.772 4.340 0.007 0.000 0.263 14 Q C -0.954 175.058 176.000 0.019 0.000 1.002 14 Q CA -0.001 55.818 55.803 0.027 0.000 0.910 14 Q CB 0.689 29.438 28.738 0.019 0.000 1.185 14 Q HN 0.584 nan 8.270 nan 0.000 0.401 15 I N 2.857 123.441 120.570 0.023 0.000 2.388 15 I HA 0.738 4.913 4.170 0.007 0.000 0.281 15 I C 0.770 176.887 176.117 -0.001 0.000 1.046 15 I CA -0.386 60.916 61.300 0.005 0.000 1.187 15 I CB 0.556 38.561 38.000 0.009 0.000 1.351 15 I HN 0.805 nan 8.210 nan 0.000 0.472 16 G N 7.430 116.222 108.800 -0.012 0.000 2.596 16 G HA2 -0.288 3.676 3.960 0.007 0.000 0.304 16 G HA3 -0.288 3.676 3.960 0.007 0.000 0.304 16 G C -1.466 173.434 174.900 -0.001 0.000 1.189 16 G CA 0.340 45.431 45.100 -0.015 0.000 0.986 16 G HN 0.574 nan 8.290 nan 0.000 0.548 17 P HA 0.225 nan 4.420 nan 0.000 0.245 17 P C 0.268 177.579 177.300 0.019 0.000 1.212 17 P CA 0.958 64.062 63.100 0.008 0.000 0.774 17 P CB 0.264 31.968 31.700 0.006 0.000 0.999 18 K N -0.431 119.986 120.400 0.027 0.000 2.350 18 K HA 0.565 4.889 4.320 0.007 0.000 0.241 18 K C -0.283 176.346 176.600 0.049 0.000 0.994 18 K CA -0.395 55.919 56.287 0.044 0.000 0.839 18 K CB 1.503 34.042 32.500 0.065 0.000 1.244 18 K HN -0.281 nan 8.250 nan 0.000 0.443 19 T N 1.430 116.021 114.554 0.061 0.000 2.840 19 T HA 0.437 4.792 4.350 0.007 0.000 0.287 19 T C -0.023 174.733 174.700 0.093 0.000 0.991 19 T CA -0.652 61.488 62.100 0.066 0.000 0.964 19 T CB 0.811 69.711 68.868 0.053 0.000 0.954 19 T HN 0.227 nan 8.240 nan 0.000 0.438 20 L N 4.037 125.324 121.223 0.107 0.000 2.349 20 L HA 0.402 4.746 4.340 0.007 0.000 0.275 20 L C 2.256 179.200 176.870 0.123 0.000 1.115 20 L CA -0.667 54.259 54.840 0.142 0.000 0.820 20 L CB 0.871 43.031 42.059 0.168 0.000 1.135 20 L HN 0.684 nan 8.230 nan 0.000 0.445 21 R N 2.045 122.629 120.500 0.139 0.000 2.115 21 R HA -0.045 4.299 4.340 0.007 0.000 0.226 21 R C -0.052 176.336 176.300 0.147 0.000 1.100 21 R CA 1.192 57.370 56.100 0.130 0.000 0.980 21 R CB -0.159 30.220 30.300 0.132 0.000 0.875 21 R HN 0.861 nan 8.270 nan 0.000 0.445 22 N N -1.123 117.671 118.700 0.156 0.000 3.439 22 N HA 0.162 4.906 4.740 0.007 0.000 0.313 22 N C -0.615 174.932 175.510 0.061 0.000 1.598 22 N CA -1.046 52.078 53.050 0.123 0.000 0.830 22 N CB 0.512 39.125 38.487 0.209 0.000 1.849 22 N HN -0.103 nan 8.380 nan 0.000 0.598 23 R N -1.170 119.266 120.500 -0.106 0.000 2.480 23 R HA 0.349 4.694 4.340 0.007 0.000 0.277 23 R C -0.680 175.414 176.300 -0.343 0.000 1.008 23 R CA -0.151 55.818 56.100 -0.218 0.000 1.090 23 R CB -0.404 29.690 30.300 -0.344 0.000 1.234 23 R HN 0.313 nan 8.270 nan 0.000 0.549 24 F N 0.403 120.351 119.950 -0.002 0.000 2.385 24 F HA 0.261 4.793 4.527 0.007 0.000 0.360 24 F C -0.323 175.756 175.800 0.464 0.000 1.122 24 F CA -0.893 57.146 58.000 0.065 0.000 1.090 24 F CB 0.891 39.637 39.000 -0.424 0.000 1.150 24 F HN -0.051 nan 8.300 nan 0.000 0.472 25 Y N 3.842 124.510 120.300 0.612 0.000 2.346 25 Y HA 0.260 4.814 4.550 0.007 0.000 0.332 25 Y C -0.536 175.599 175.900 0.392 0.000 0.985 25 Y CA -0.830 57.547 58.100 0.461 0.000 1.112 25 Y CB 1.195 39.815 38.460 0.267 0.000 1.170 25 Y HN 0.487 nan 8.280 nan 0.000 0.447 26 Q N 7.195 126.941 119.800 -0.091 0.000 2.389 26 Q HA 0.342 4.686 4.340 0.007 0.000 0.244 26 Q C -0.472 175.405 176.000 -0.204 0.000 1.056 26 Q CA -0.523 55.126 55.803 -0.256 0.000 0.908 26 Q CB 0.559 29.029 28.738 -0.446 0.000 1.273 26 Q HN 0.745 nan 8.270 nan 0.000 0.471 27 V N 2.737 122.713 119.914 0.103 0.000 3.139 27 V HA 0.289 4.413 4.120 0.007 0.000 0.307 27 V C -2.350 173.744 176.094 -0.001 0.000 1.095 27 V CA -1.515 60.898 62.300 0.187 0.000 1.160 27 V CB -0.249 31.725 31.823 0.253 0.000 1.003 27 V HN 0.649 nan 8.190 nan 0.000 0.489 28 P HA 0.289 nan 4.420 nan 0.000 0.264 28 P C -0.987 176.197 177.300 -0.193 0.000 1.193 28 P CA 0.770 63.700 63.100 -0.282 0.000 0.763 28 P CB -0.075 31.324 31.700 -0.502 0.000 0.810 29 H N 0.135 119.031 119.070 -0.290 0.000 3.085 29 H HA 0.439 4.999 4.556 0.007 0.000 0.356 29 H C -0.607 174.512 175.328 -0.348 0.000 1.178 29 H CA -1.227 54.625 56.048 -0.327 0.000 1.214 29 H CB -0.210 29.419 29.762 -0.222 0.000 1.881 29 H HN 0.544 nan 8.280 nan 0.000 0.538 30 C N 2.718 121.796 119.300 -0.370 0.000 2.679 30 C HA 0.440 4.904 4.460 0.007 0.000 0.417 30 C C 1.476 176.351 174.990 -0.191 0.000 1.302 30 C CA 0.198 58.965 59.018 -0.418 0.000 1.973 30 C CB -1.294 25.870 27.740 -0.961 0.000 2.715 30 C HN 0.994 nan 8.230 nan 0.000 0.628 31 I N -0.959 119.470 120.570 -0.235 0.000 4.670 31 I HA 0.471 4.645 4.170 0.007 0.000 0.339 31 I C 1.126 177.156 176.117 -0.145 0.000 1.310 31 I CA 0.334 61.502 61.300 -0.221 0.000 1.288 31 I CB -0.340 37.349 38.000 -0.519 0.000 1.427 31 I HN 1.172 nan 8.210 nan 0.000 0.494 32 G N 2.130 110.878 108.800 -0.087 0.000 2.171 32 G HA2 -0.138 3.826 3.960 0.007 0.000 0.238 32 G HA3 -0.138 3.826 3.960 0.007 0.000 0.238 32 G C 0.484 175.316 174.900 -0.113 0.000 1.039 32 G CA 0.423 45.536 45.100 0.022 0.000 0.759 32 G HN 0.816 nan 8.290 nan 0.000 0.501 33 A N -1.296 121.313 122.820 -0.351 0.000 1.971 33 A HA 0.760 5.085 4.320 0.007 0.000 0.200 33 A C 2.528 179.967 177.584 -0.241 0.000 1.658 33 A CA 1.866 53.676 52.037 -0.378 0.000 0.962 33 A CB -0.366 18.148 19.000 -0.809 0.000 1.053 33 A HN 2.498 nan 8.150 nan 0.000 0.533 34 G N -0.256 108.392 108.800 -0.254 0.000 2.574 34 G HA2 -0.277 3.687 3.960 0.007 0.000 0.286 34 G HA3 -0.277 3.687 3.960 0.007 0.000 0.286 34 G C 0.715 175.495 174.900 -0.200 0.000 1.212 34 G CA 0.605 45.573 45.100 -0.220 0.000 0.979 34 G HN 1.015 nan 8.290 nan 0.000 0.557 35 S N 0.850 116.430 115.700 -0.199 0.000 2.572 35 S HA 0.278 4.752 4.470 0.007 0.000 0.228 35 S C 0.965 175.486 174.600 -0.133 0.000 0.963 35 S CA 0.939 59.048 58.200 -0.151 0.000 0.939 35 S CB 0.320 63.422 63.200 -0.163 0.000 0.804 35 S HN 0.512 nan 8.310 nan 0.000 0.480 36 D N 1.627 121.938 120.400 -0.149 0.000 2.324 36 D HA 0.131 4.776 4.640 0.007 0.000 0.212 36 D C 0.342 176.599 176.300 -0.072 0.000 0.984 36 D CA 0.759 54.686 54.000 -0.122 0.000 0.885 36 D CB 0.246 40.969 40.800 -0.129 0.000 0.996 36 D HN 0.096 nan 8.370 nan 0.000 0.505 37 K N 1.046 121.400 120.400 -0.078 0.000 2.499 37 K HA 0.220 4.544 4.320 0.007 0.000 0.215 37 K C -1.932 174.607 176.600 -0.102 0.000 1.041 37 K CA -1.357 54.906 56.287 -0.041 0.000 1.031 37 K CB 2.315 34.856 32.500 0.068 0.000 1.479 37 K HN -0.093 nan 8.250 nan 0.000 0.518 38 P HA -0.090 nan 4.420 nan 0.000 0.220 38 P C 1.210 178.361 177.300 -0.249 0.000 1.152 38 P CA 0.844 63.852 63.100 -0.154 0.000 0.812 38 P CB 0.431 32.067 31.700 -0.106 0.000 0.792 39 G N 0.076 108.572 108.800 -0.507 0.000 2.421 39 G HA2 -0.290 3.675 3.960 0.007 0.000 0.216 39 G HA3 -0.290 3.675 3.960 0.007 0.000 0.216 39 G C 1.400 175.991 174.900 -0.515 0.000 1.171 39 G CA 0.344 44.800 45.100 -1.073 0.000 0.775 39 G HN 0.097 nan 8.290 nan 0.000 0.543 40 F N 1.871 121.552 119.950 -0.449 0.000 2.043 40 F HA -0.170 4.361 4.527 0.008 0.000 0.297 40 F C 2.692 178.447 175.800 -0.076 0.000 1.121 40 F CA 2.052 59.974 58.000 -0.130 0.000 1.199 40 F CB -1.052 37.888 39.000 -0.101 0.000 0.968 40 F HN 0.302 nan 8.300 nan 0.000 0.478 41 Q N 0.108 119.854 119.800 -0.090 0.000 2.112 41 Q HA -0.191 4.153 4.340 0.007 0.000 0.206 41 Q C 2.537 178.511 176.000 -0.044 0.000 0.987 41 Q CA 2.538 58.236 55.803 -0.175 0.000 0.858 41 Q CB -0.748 27.873 28.738 -0.196 0.000 0.905 41 Q HN 0.393 nan 8.270 nan 0.000 0.420 42 S N -1.112 114.565 115.700 -0.038 0.000 2.348 42 S HA -0.115 4.359 4.470 0.007 0.000 0.221 42 S C 1.825 176.464 174.600 0.065 0.000 1.033 42 S CA 1.253 59.448 58.200 -0.009 0.000 1.010 42 S CB -0.576 62.605 63.200 -0.032 0.000 0.891 42 S HN 0.593 nan 8.310 nan 0.000 0.442 43 A N 0.196 123.095 122.820 0.131 0.000 1.873 43 A HA -0.091 4.233 4.320 0.007 0.000 0.215 43 A C 1.926 179.601 177.584 0.152 0.000 1.186 43 A CA 2.058 54.203 52.037 0.181 0.000 0.616 43 A CB -1.240 17.922 19.000 0.271 0.000 0.823 43 A HN 0.753 nan 8.150 nan 0.000 0.442 44 H N -0.070 119.090 119.070 0.151 0.000 2.387 44 H HA -0.008 4.552 4.556 0.007 0.000 0.299 44 H C 2.113 177.459 175.328 0.030 0.000 1.090 44 H CA 1.936 58.063 56.048 0.131 0.000 1.332 44 H CB 0.052 29.956 29.762 0.238 0.000 1.386 44 H HN 0.402 nan 8.280 nan 0.000 0.516 45 R N -0.491 119.966 120.500 -0.071 0.000 2.173 45 R HA 0.028 4.372 4.340 0.007 0.000 0.208 45 R C 2.416 178.659 176.300 -0.096 0.000 1.035 45 R CA 0.954 56.969 56.100 -0.142 0.000 1.004 45 R CB -0.011 30.235 30.300 -0.090 0.000 0.917 45 R HN 0.441 nan 8.270 nan 0.000 0.462 46 S N 1.382 117.062 115.700 -0.033 0.000 2.414 46 S HA -0.089 4.385 4.470 0.007 0.000 0.227 46 S C 2.295 176.827 174.600 -0.112 0.000 1.022 46 S CA 0.899 59.104 58.200 0.009 0.000 0.958 46 S CB -0.628 62.645 63.200 0.123 0.000 0.797 46 S HN 0.188 nan 8.310 nan 0.000 0.493 47 V N 0.362 120.215 119.914 -0.102 0.000 2.594 47 V HA -0.064 4.060 4.120 0.007 0.000 0.253 47 V C 2.212 178.254 176.094 -0.087 0.000 1.069 47 V CA 1.790 64.035 62.300 -0.091 0.000 1.082 47 V CB -1.062 30.695 31.823 -0.109 0.000 0.680 47 V HN 0.409 nan 8.190 nan 0.000 0.469 48 K N 1.098 121.436 120.400 -0.104 0.000 2.155 48 K HA 0.169 4.493 4.320 0.007 0.000 0.203 48 K C 2.462 179.101 176.600 0.065 0.000 1.052 48 K CA 1.254 57.546 56.287 0.008 0.000 0.948 48 K CB -0.435 31.969 32.500 -0.161 0.000 0.728 48 K HN 0.565 nan 8.250 nan 0.000 0.448 49 A N 2.352 125.164 122.820 -0.014 0.000 1.877 49 A HA -0.237 4.087 4.320 0.007 0.000 0.216 49 A C 2.084 179.629 177.584 -0.065 0.000 1.186 49 A CA 1.898 53.961 52.037 0.044 0.000 0.620 49 A CB -0.528 18.551 19.000 0.131 0.000 0.822 49 A HN 0.523 nan 8.150 nan 0.000 0.443 50 E N -0.492 119.512 120.200 -0.326 0.000 2.268 50 E HA 0.019 4.374 4.350 0.007 0.000 0.195 50 E C 1.601 177.833 176.600 -0.614 0.000 0.995 50 E CA 0.922 57.063 56.400 -0.430 0.000 0.836 50 E CB -0.546 28.691 29.700 -0.772 0.000 0.763 50 E HN 0.393 nan 8.360 nan 0.000 0.491 51 G N -0.020 108.215 108.800 -0.942 0.000 2.848 51 G HA2 0.186 4.151 3.960 0.007 0.000 0.208 51 G HA3 0.186 4.151 3.960 0.007 0.000 0.208 51 G C 1.103 175.614 174.900 -0.648 0.000 1.152 51 G CA 0.135 44.370 45.100 -1.442 0.000 0.789 51 G HN 0.603 nan 8.290 nan 0.000 0.531 52 G N -1.715 106.873 108.800 -0.353 0.000 2.184 52 G HA2 -0.222 3.742 3.960 0.007 0.000 0.206 52 G HA3 -0.222 3.742 3.960 0.007 0.000 0.206 52 G C 0.184 174.981 174.900 -0.171 0.000 0.995 52 G CA -0.371 44.586 45.100 -0.239 0.000 0.651 52 G HN 0.273 nan 8.290 nan 0.000 0.511 53 W N 0.859 122.117 121.300 -0.071 0.000 2.264 53 W HA 0.497 5.161 4.660 0.008 0.000 0.331 53 W C 1.504 178.068 176.519 0.075 0.000 1.364 53 W CA 0.356 57.725 57.345 0.040 0.000 1.253 53 W CB 0.726 30.188 29.460 0.003 0.000 1.215 53 W HN 0.337 nan 8.180 nan 0.000 0.561 54 A N 3.415 126.436 122.820 0.335 0.000 1.972 54 A HA 0.297 4.622 4.320 0.007 0.000 0.219 54 A C 0.948 178.664 177.584 0.219 0.000 1.169 54 A CA 1.545 53.737 52.037 0.258 0.000 0.635 54 A CB -0.341 18.823 19.000 0.273 0.000 0.810 54 A HN 0.688 nan 8.150 nan 0.000 0.446 55 A N -0.859 122.068 122.820 0.179 0.000 2.520 55 A HA 0.613 4.938 4.320 0.007 0.000 0.298 55 A C -1.328 176.186 177.584 -0.115 0.000 1.051 55 A CA -0.475 51.572 52.037 0.017 0.000 0.690 55 A CB 1.028 19.995 19.000 -0.056 0.000 1.281 55 A HN 0.150 nan 8.150 nan 0.000 0.402 56 L N 2.486 123.659 121.223 -0.083 0.000 2.362 56 L HA 0.544 4.889 4.340 0.007 0.000 0.275 56 L C -0.545 176.269 176.870 -0.093 0.000 0.998 56 L CA -0.499 54.263 54.840 -0.129 0.000 0.820 56 L CB 1.609 43.613 42.059 -0.091 0.000 1.270 56 L HN 0.733 nan 8.230 nan 0.000 0.415 57 N N 0.818 119.427 118.700 -0.151 0.000 2.314 57 N HA 0.391 5.136 4.740 0.007 0.000 0.304 57 N C 0.089 175.491 175.510 -0.180 0.000 1.073 57 N CA -0.242 52.743 53.050 -0.108 0.000 0.822 57 N CB 2.765 41.175 38.487 -0.129 0.000 1.280 57 N HN 0.689 nan 8.380 nan 0.000 0.489 58 T N -1.256 113.215 114.554 -0.139 0.000 2.640 58 T HA 0.052 4.406 4.350 0.007 0.000 0.316 58 T C 0.691 175.215 174.700 -0.293 0.000 1.036 58 T CA -0.339 61.639 62.100 -0.203 0.000 1.009 58 T CB 0.515 69.289 68.868 -0.158 0.000 1.017 58 T HN 0.498 nan 8.240 nan 0.000 0.530 59 E N 0.432 120.458 120.200 -0.291 0.000 2.385 59 E HA 0.116 4.470 4.350 0.007 0.000 0.254 59 E C -0.217 176.277 176.600 -0.176 0.000 1.228 59 E CA -0.906 55.334 56.400 -0.266 0.000 0.956 59 E CB -0.034 29.545 29.700 -0.201 0.000 1.116 59 E HN 0.780 nan 8.360 nan 0.000 0.507 60 Y N -0.885 119.112 120.300 -0.506 0.000 2.881 60 Y HA 0.125 4.679 4.550 0.007 0.000 0.335 60 Y C -0.257 175.489 175.900 -0.256 0.000 1.263 60 Y CA -1.821 56.003 58.100 -0.459 0.000 1.572 60 Y CB -0.359 37.668 38.460 -0.722 0.000 1.237 60 Y HN 0.413 nan 8.280 nan 0.000 0.568 61 C N 6.190 125.464 119.300 -0.044 0.000 2.294 61 C HA 0.509 4.973 4.460 0.007 0.000 0.319 61 C C 0.424 175.501 174.990 0.145 0.000 1.164 61 C CA -0.613 58.370 59.018 -0.057 0.000 1.497 61 C CB -0.937 26.743 27.740 -0.100 0.000 2.061 61 C HN 1.056 nan 8.230 nan 0.000 0.438 62 S N 4.203 120.025 115.700 0.204 0.000 2.575 62 S HA 0.067 4.541 4.470 0.007 0.000 0.295 62 S C 1.327 176.065 174.600 0.230 0.000 1.267 62 S CA -0.024 58.364 58.200 0.314 0.000 1.074 62 S CB 0.127 63.577 63.200 0.416 0.000 0.829 62 S HN 0.794 nan 8.310 nan 0.000 0.497 63 I N 2.109 122.722 120.570 0.071 0.000 3.059 63 I HA 0.331 4.505 4.170 0.007 0.000 0.270 63 I C 0.532 176.598 176.117 -0.085 0.000 1.238 63 I CA 0.110 61.415 61.300 0.008 0.000 1.478 63 I CB -0.225 37.678 38.000 -0.162 0.000 1.097 63 I HN 0.567 nan 8.210 nan 0.000 0.455 64 N N -0.040 118.536 118.700 -0.206 0.000 2.636 64 N HA 0.303 5.047 4.740 0.007 0.000 0.261 64 N C -2.528 172.472 175.510 -0.850 0.000 1.195 64 N CA -1.169 51.447 53.050 -0.722 0.000 0.902 64 N CB 1.778 39.687 38.487 -0.964 0.000 1.627 64 N HN -0.357 nan 8.380 nan 0.000 0.491 65 P HA -0.080 nan 4.420 nan 0.000 0.234 65 P C -0.013 176.978 177.300 -0.516 0.000 1.167 65 P CA 1.048 63.419 63.100 -1.215 0.000 0.763 65 P CB -0.076 30.773 31.700 -1.419 0.000 0.835 66 E N -0.990 118.957 120.200 -0.422 0.000 2.476 66 E HA 0.072 4.426 4.350 0.007 0.000 0.191 66 E C 0.427 176.779 176.600 -0.413 0.000 1.064 66 E CA -0.103 56.134 56.400 -0.271 0.000 0.866 66 E CB -0.089 29.546 29.700 -0.110 0.000 0.952 66 E HN -0.095 nan 8.360 nan 0.000 0.492 67 S N 1.174 116.569 115.700 -0.509 0.000 2.062 67 S HA 0.127 4.601 4.470 0.007 0.000 0.163 67 S C -1.343 173.074 174.600 -0.306 0.000 1.612 67 S CA -0.809 56.952 58.200 -0.732 0.000 1.251 67 S CB 0.238 62.678 63.200 -1.267 0.000 1.174 67 S HN 0.327 nan 8.310 nan 0.000 0.428 68 D N 1.196 121.566 120.400 -0.049 0.000 2.303 68 D HA 0.348 4.992 4.640 0.007 0.000 0.236 68 D C 0.405 176.846 176.300 0.234 0.000 1.068 68 D CA -0.430 53.691 54.000 0.201 0.000 0.830 68 D CB 1.523 42.444 40.800 0.202 0.000 1.109 68 D HN 0.161 nan 8.370 nan 0.000 0.496 69 D N 1.985 122.578 120.400 0.322 0.000 2.340 69 D HA 0.037 4.681 4.640 0.007 0.000 0.220 69 D C -0.138 176.247 176.300 0.141 0.000 1.039 69 D CA 0.208 54.394 54.000 0.309 0.000 0.866 69 D CB 0.113 41.104 40.800 0.320 0.000 0.913 69 D HN 0.399 nan 8.370 nan 0.000 0.523 70 T N -0.121 114.492 114.554 0.099 0.000 2.819 70 T HA -0.138 4.216 4.350 0.007 0.000 0.282 70 T C 1.230 176.010 174.700 0.133 0.000 1.013 70 T CA 0.549 62.692 62.100 0.070 0.000 1.159 70 T CB 0.170 69.079 68.868 0.070 0.000 1.007 70 T HN 0.448 nan 8.240 nan 0.000 0.514 71 H N 1.420 120.462 119.070 -0.046 0.000 2.551 71 H HA 0.251 4.811 4.556 0.007 0.000 0.266 71 H C 0.924 176.179 175.328 -0.121 0.000 0.977 71 H CA -0.327 55.675 56.048 -0.078 0.000 1.163 71 H CB 0.305 30.009 29.762 -0.096 0.000 1.381 71 H HN 0.353 nan 8.280 nan 0.000 0.581 72 R N 0.569 120.789 120.500 -0.466 0.000 2.577 72 R HA 0.322 4.667 4.340 0.007 0.000 0.269 72 R C -1.058 175.141 176.300 -0.169 0.000 1.084 72 R CA -1.051 54.741 56.100 -0.513 0.000 1.163 72 R CB 1.041 30.929 30.300 -0.687 0.000 1.100 72 R HN 0.144 nan 8.270 nan 0.000 0.547 73 L N 1.550 122.735 121.223 -0.064 0.000 2.276 73 L HA 0.267 4.612 4.340 0.007 0.000 0.286 73 L C -0.409 176.536 176.870 0.125 0.000 1.024 73 L CA 0.229 55.082 54.840 0.022 0.000 0.826 73 L CB 1.129 43.193 42.059 0.007 0.000 1.211 73 L HN 0.754 nan 8.230 nan 0.000 0.422 74 S N 3.781 119.368 115.700 -0.189 0.000 2.745 74 S HA 0.928 5.402 4.470 0.007 0.000 0.292 74 S C 0.177 174.544 174.600 -0.389 0.000 1.133 74 S CA -0.431 57.404 58.200 -0.609 0.000 0.998 74 S CB 1.375 63.736 63.200 -1.397 0.000 1.087 74 S HN 0.879 nan 8.310 nan 0.000 0.551 75 A N 1.012 123.600 122.820 -0.387 0.000 2.346 75 A HA 0.658 4.983 4.320 0.007 0.000 0.252 75 A C 0.198 177.589 177.584 -0.322 0.000 1.089 75 A CA -0.721 51.137 52.037 -0.298 0.000 0.797 75 A CB 0.164 19.027 19.000 -0.228 0.000 1.047 75 A HN 0.824 nan 8.150 nan 0.000 0.494 76 R N 0.331 120.614 120.500 -0.362 0.000 2.564 76 R HA 0.485 4.830 4.340 0.007 0.000 0.284 76 R C -1.473 174.641 176.300 -0.310 0.000 1.031 76 R CA -0.444 55.349 56.100 -0.512 0.000 0.904 76 R CB 1.591 31.124 30.300 -1.278 0.000 1.199 76 R HN 0.625 nan 8.270 nan 0.000 0.443 77 I N 2.682 123.200 120.570 -0.087 0.000 3.010 77 I HA 0.187 4.361 4.170 0.007 0.000 0.330 77 I C -0.095 176.152 176.117 0.218 0.000 1.334 77 I CA -0.478 60.849 61.300 0.045 0.000 0.945 77 I CB 0.203 38.233 38.000 0.050 0.000 2.027 77 I HN 0.656 nan 8.210 nan 0.000 0.564 78 W N 1.790 123.071 121.300 -0.032 0.000 2.453 78 W HA 0.053 4.718 4.660 0.008 0.000 0.289 78 W C 0.816 177.317 176.519 -0.031 0.000 1.215 78 W CA 0.251 57.562 57.345 -0.057 0.000 1.297 78 W CB -0.698 28.727 29.460 -0.058 0.000 1.113 78 W HN 0.460 nan 8.180 nan 0.000 0.551 79 D N -3.259 117.278 120.400 0.229 0.000 2.921 79 D HA 0.107 4.751 4.640 0.007 0.000 0.329 79 D C 0.449 176.794 176.300 0.074 0.000 1.293 79 D CA -0.461 53.620 54.000 0.136 0.000 0.964 79 D CB 0.630 41.521 40.800 0.151 0.000 1.435 79 D HN -0.293 nan 8.370 nan 0.000 0.548 80 E N -0.404 119.814 120.200 0.031 0.000 2.152 80 E HA 0.147 4.502 4.350 0.007 0.000 0.192 80 E C 2.063 178.621 176.600 -0.069 0.000 0.983 80 E CA 1.407 57.802 56.400 -0.008 0.000 0.818 80 E CB -0.580 29.110 29.700 -0.016 0.000 0.758 80 E HN 0.565 nan 8.360 nan 0.000 0.467 81 G N 1.138 109.849 108.800 -0.148 0.000 2.450 81 G HA2 -0.271 3.694 3.960 0.007 0.000 0.220 81 G HA3 -0.271 3.694 3.960 0.007 0.000 0.220 81 G C 1.105 175.874 174.900 -0.218 0.000 1.130 81 G CA 1.067 45.911 45.100 -0.428 0.000 0.760 81 G HN 0.155 nan 8.290 nan 0.000 0.557 82 D N 0.068 120.468 120.400 -0.000 0.000 2.162 82 D HA -0.036 4.608 4.640 0.007 0.000 0.203 82 D C 2.765 179.079 176.300 0.023 0.000 0.967 82 D CA 0.376 54.401 54.000 0.042 0.000 0.840 82 D CB -0.314 40.502 40.800 0.026 0.000 0.972 82 D HN 0.168 nan 8.370 nan 0.000 0.482 83 V N 1.982 121.911 119.914 0.025 0.000 2.332 83 V HA -0.292 3.833 4.120 0.007 0.000 0.248 83 V C 2.592 178.688 176.094 0.003 0.000 1.055 83 V CA 2.254 64.577 62.300 0.037 0.000 1.038 83 V CB -0.444 31.400 31.823 0.036 0.000 0.651 83 V HN 0.239 nan 8.190 nan 0.000 0.450 84 R N 0.529 121.012 120.500 -0.029 0.000 2.073 84 R HA -0.084 4.261 4.340 0.007 0.000 0.229 84 R C 1.925 178.201 176.300 -0.040 0.000 1.120 84 R CA 2.004 58.079 56.100 -0.042 0.000 0.967 84 R CB -0.689 29.573 30.300 -0.063 0.000 0.862 84 R HN 0.414 nan 8.270 nan 0.000 0.436 85 N N 0.473 119.155 118.700 -0.031 0.000 2.142 85 N HA -0.086 4.658 4.740 0.007 0.000 0.186 85 N C 1.345 176.836 175.510 -0.033 0.000 1.023 85 N CA 0.997 54.032 53.050 -0.024 0.000 0.852 85 N CB -0.211 38.281 38.487 0.008 0.000 0.998 85 N HN 0.126 nan 8.380 nan 0.000 0.424 86 L N 1.256 122.475 121.223 -0.007 0.000 2.156 86 L HA -0.005 4.340 4.340 0.007 0.000 0.208 86 L C 2.064 178.883 176.870 -0.086 0.000 1.095 86 L CA 1.341 56.191 54.840 0.017 0.000 0.770 86 L CB -0.720 41.437 42.059 0.163 0.000 0.914 86 L HN 0.148 nan 8.230 nan 0.000 0.439 87 K N -0.507 119.836 120.400 -0.095 0.000 2.147 87 K HA -0.154 4.171 4.320 0.007 0.000 0.205 87 K C 2.074 178.594 176.600 -0.133 0.000 1.049 87 K CA 1.099 57.297 56.287 -0.149 0.000 0.936 87 K CB -0.023 32.425 32.500 -0.087 0.000 0.722 87 K HN 0.269 nan 8.250 nan 0.000 0.446 88 A N 1.562 124.328 122.820 -0.089 0.000 1.927 88 A HA -0.249 4.076 4.320 0.007 0.000 0.220 88 A C 2.144 179.676 177.584 -0.086 0.000 1.185 88 A CA 1.895 53.890 52.037 -0.070 0.000 0.639 88 A CB -0.603 18.361 19.000 -0.060 0.000 0.820 88 A HN 0.491 nan 8.150 nan 0.000 0.451 89 M N 0.318 119.848 119.600 -0.117 0.000 2.123 89 M HA -0.122 4.363 4.480 0.007 0.000 0.263 89 M C 2.341 178.512 176.300 -0.215 0.000 1.069 89 M CA 2.572 57.797 55.300 -0.126 0.000 1.133 89 M CB -1.041 31.498 32.600 -0.101 0.000 1.356 89 M HN 0.627 nan 8.290 nan 0.000 0.415 90 T N -1.678 112.656 114.554 -0.366 0.000 2.867 90 T HA -0.131 4.223 4.350 0.007 0.000 0.268 90 T C 1.392 175.788 174.700 -0.508 0.000 1.057 90 T CA 1.590 63.335 62.100 -0.592 0.000 1.136 90 T CB -0.603 67.802 68.868 -0.772 0.000 0.874 90 T HN 0.292 nan 8.240 nan 0.000 0.466 91 D N 1.220 121.490 120.400 -0.217 0.000 2.117 91 D HA -0.049 4.595 4.640 0.007 0.000 0.197 91 D C 2.192 178.471 176.300 -0.035 0.000 0.987 91 D CA 1.257 55.223 54.000 -0.056 0.000 0.829 91 D CB -0.351 40.432 40.800 -0.029 0.000 0.961 91 D HN 0.464 nan 8.370 nan 0.000 0.460 92 E N 0.180 120.356 120.200 -0.039 0.000 2.208 92 E HA -0.094 4.260 4.350 0.007 0.000 0.193 92 E C 2.031 178.698 176.600 0.113 0.000 0.988 92 E CA 0.322 56.752 56.400 0.050 0.000 0.828 92 E CB 0.094 29.843 29.700 0.082 0.000 0.763 92 E HN 0.217 nan 8.360 nan 0.000 0.478 93 V N -1.973 117.942 119.914 0.002 0.000 2.951 93 V HA -0.097 4.027 4.120 0.007 0.000 0.255 93 V C 1.627 177.773 176.094 0.087 0.000 1.088 93 V CA 1.561 63.894 62.300 0.054 0.000 1.109 93 V CB -0.622 31.175 31.823 -0.042 0.000 0.724 93 V HN 0.286 nan 8.190 nan 0.000 0.471 94 H N 0.595 119.675 119.070 0.016 0.000 2.389 94 H HA -0.071 4.489 4.556 0.007 0.000 0.299 94 H C 2.282 177.579 175.328 -0.051 0.000 1.081 94 H CA 1.568 57.609 56.048 -0.012 0.000 1.345 94 H CB 0.104 29.843 29.762 -0.039 0.000 1.393 94 H HN 0.423 nan 8.280 nan 0.000 0.520 95 K N 0.849 121.258 120.400 0.015 0.000 2.089 95 K HA -0.226 4.099 4.320 0.007 0.000 0.210 95 K C 0.476 176.836 176.600 -0.400 0.000 1.048 95 K CA 1.679 57.827 56.287 -0.231 0.000 0.926 95 K CB -0.062 32.215 32.500 -0.371 0.000 0.714 95 K HN 0.360 nan 8.250 nan 0.000 0.448 96 Y N -0.318 120.019 120.300 0.062 0.000 2.583 96 Y HA 0.256 4.811 4.550 0.007 0.000 0.294 96 Y C 1.064 176.996 175.900 0.054 0.000 1.170 96 Y CA 0.173 58.303 58.100 0.049 0.000 1.265 96 Y CB 0.755 39.238 38.460 0.038 0.000 1.119 96 Y HN 0.327 nan 8.280 nan 0.000 0.522 97 G N 0.093 108.963 108.800 0.118 0.000 2.160 97 G HA2 -0.162 3.803 3.960 0.007 0.000 0.251 97 G HA3 -0.162 3.803 3.960 0.007 0.000 0.251 97 G C 0.232 175.220 174.900 0.146 0.000 1.008 97 G CA 0.113 45.280 45.100 0.111 0.000 0.724 97 G HN 0.660 nan 8.290 nan 0.000 0.514 98 A N -0.656 122.273 122.820 0.182 0.000 2.299 98 A HA 0.891 5.216 4.320 0.007 0.000 0.332 98 A C 0.512 178.225 177.584 0.215 0.000 1.131 98 A CA -0.702 51.441 52.037 0.177 0.000 0.844 98 A CB 0.945 20.039 19.000 0.157 0.000 1.251 98 A HN 0.727 nan 8.150 nan 0.000 0.486 99 L N 0.421 121.756 121.223 0.186 0.000 2.439 99 L HA 0.584 4.928 4.340 0.007 0.000 0.261 99 L C 0.574 177.521 176.870 0.128 0.000 1.153 99 L CA -0.378 54.584 54.840 0.203 0.000 0.808 99 L CB 1.185 43.358 42.059 0.190 0.000 1.126 99 L HN 0.770 nan 8.230 nan 0.000 0.460 100 A N 0.760 123.663 122.820 0.137 0.000 2.355 100 A HA 0.816 5.141 4.320 0.007 0.000 0.317 100 A C -0.243 177.569 177.584 0.380 0.000 1.094 100 A CA -0.292 51.821 52.037 0.127 0.000 0.764 100 A CB 1.605 20.513 19.000 -0.154 0.000 1.230 100 A HN 0.764 nan 8.150 nan 0.000 0.448 101 G N -0.418 108.607 108.800 0.374 0.000 2.519 101 G HA2 0.616 4.581 3.960 0.007 0.000 0.307 101 G HA3 0.616 4.581 3.960 0.007 0.000 0.307 101 G C -1.539 173.348 174.900 -0.023 0.000 1.266 101 G CA -0.534 44.739 45.100 0.288 0.000 0.970 101 G HN 1.404 nan 8.290 nan 0.000 0.481 102 V N 0.341 120.052 119.914 -0.339 0.000 2.656 102 V HA 0.668 4.793 4.120 0.007 0.000 0.307 102 V C -0.727 175.275 176.094 -0.153 0.000 1.051 102 V CA -0.886 61.063 62.300 -0.586 0.000 0.893 102 V CB 1.840 32.928 31.823 -1.225 0.000 0.999 102 V HN 0.811 nan 8.190 nan 0.000 0.426 103 E N 6.268 126.365 120.200 -0.171 0.000 2.063 103 E HA 0.382 4.736 4.350 0.007 0.000 0.265 103 E C -1.014 175.620 176.600 0.057 0.000 0.919 103 E CA -0.556 55.780 56.400 -0.107 0.000 0.756 103 E CB 0.890 30.331 29.700 -0.430 0.000 1.120 103 E HN 0.710 nan 8.360 nan 0.000 0.414 104 L N 5.004 126.356 121.223 0.214 0.000 2.410 104 L HA 0.220 4.564 4.340 0.007 0.000 0.273 104 L C -0.377 176.777 176.870 0.473 0.000 1.144 104 L CA -0.164 54.846 54.840 0.284 0.000 0.863 104 L CB 0.136 42.391 42.059 0.327 0.000 1.140 104 L HN 0.572 nan 8.230 nan 0.000 0.463 105 W N 5.902 127.287 121.300 0.140 0.000 2.785 105 W HA 0.454 5.118 4.660 0.008 0.000 0.333 105 W C -1.716 174.827 176.519 0.041 0.000 1.062 105 W CA -1.035 56.416 57.345 0.176 0.000 1.233 105 W CB 1.077 30.627 29.460 0.151 0.000 1.413 105 W HN 0.268 nan 8.180 nan 0.000 0.489 106 Y N 4.822 124.709 120.300 -0.689 0.000 2.386 106 Y HA 0.510 5.064 4.550 0.006 0.000 0.334 106 Y C 0.689 176.014 175.900 -0.958 0.000 1.002 106 Y CA -0.202 57.354 58.100 -0.907 0.000 1.068 106 Y CB 2.342 40.558 38.460 -0.406 0.000 1.203 106 Y HN 0.625 nan 8.280 nan 0.000 0.443 107 G N 2.683 110.644 108.800 -1.399 0.000 2.838 107 G HA2 0.376 4.341 3.960 0.007 0.000 0.210 107 G HA3 0.376 4.341 3.960 0.007 0.000 0.210 107 G C 0.820 175.690 174.900 -0.050 0.000 1.153 107 G CA 0.426 45.210 45.100 -0.526 0.000 0.778 107 G HN 1.411 nan 8.290 nan 0.000 0.539 108 G N 0.150 108.832 108.800 -0.198 0.000 2.566 108 G HA2 0.036 4.001 3.960 0.007 0.000 0.280 108 G HA3 0.036 4.001 3.960 0.007 0.000 0.280 108 G C 1.302 176.108 174.900 -0.156 0.000 1.225 108 G CA 0.820 45.887 45.100 -0.055 0.000 0.966 108 G HN 1.210 nan 8.290 nan 0.000 0.560 109 A N -1.316 121.367 122.820 -0.230 0.000 2.235 109 A HA 0.251 4.575 4.320 0.007 0.000 0.208 109 A C 1.767 179.382 177.584 0.051 0.000 1.172 109 A CA 1.797 53.700 52.037 -0.223 0.000 0.786 109 A CB -0.484 18.174 19.000 -0.570 0.000 0.804 109 A HN 0.716 nan 8.150 nan 0.000 0.479 110 H N 0.205 119.438 119.070 0.271 0.000 2.495 110 H HA 0.176 4.736 4.556 0.008 0.000 0.287 110 H C 1.173 176.775 175.328 0.456 0.000 1.033 110 H CA 0.402 56.721 56.048 0.452 0.000 1.307 110 H CB -0.314 29.803 29.762 0.593 0.000 1.401 110 H HN 0.450 nan 8.280 nan 0.000 0.555 111 A N 3.012 126.068 122.820 0.394 0.000 2.302 111 A HA 0.237 4.562 4.320 0.007 0.000 0.295 111 A C -1.298 176.377 177.584 0.151 0.000 1.235 111 A CA -1.223 50.995 52.037 0.302 0.000 0.876 111 A CB 0.661 19.698 19.000 0.062 0.000 1.133 111 A HN 0.070 nan 8.150 nan 0.000 0.533 112 P HA -0.100 nan 4.420 nan 0.000 0.233 112 P C -0.026 177.305 177.300 0.051 0.000 1.167 112 P CA 0.325 63.477 63.100 0.088 0.000 0.770 112 P CB -0.335 31.416 31.700 0.084 0.000 0.837 113 N N -0.818 117.917 118.700 0.059 0.000 2.740 113 N HA -0.159 4.585 4.740 0.007 0.000 0.248 113 N C 0.704 176.233 175.510 0.031 0.000 1.062 113 N CA -0.007 53.060 53.050 0.028 0.000 0.704 113 N CB -1.111 37.361 38.487 -0.025 0.000 0.968 113 N HN 0.244 nan 8.380 nan 0.000 0.547 114 M N -0.457 119.173 119.600 0.050 0.000 2.492 114 M HA -0.089 4.395 4.480 0.007 0.000 0.262 114 M C 2.089 178.411 176.300 0.036 0.000 1.090 114 M CA 1.151 56.471 55.300 0.034 0.000 1.110 114 M CB -0.027 32.594 32.600 0.035 0.000 1.407 114 M HN 0.309 nan 8.290 nan 0.000 0.470 115 E N 0.335 120.569 120.200 0.057 0.000 2.057 115 E HA -0.122 4.232 4.350 0.007 0.000 0.190 115 E C 2.031 178.662 176.600 0.051 0.000 0.969 115 E CA 1.351 57.788 56.400 0.061 0.000 0.812 115 E CB 0.190 29.946 29.700 0.093 0.000 0.777 115 E HN 0.408 nan 8.360 nan 0.000 0.455 116 S N 0.199 115.929 115.700 0.050 0.000 2.406 116 S HA -0.100 4.374 4.470 0.007 0.000 0.228 116 S C 1.052 175.635 174.600 -0.028 0.000 1.020 116 S CA 0.872 59.069 58.200 -0.005 0.000 0.965 116 S CB -0.260 62.894 63.200 -0.075 0.000 0.798 116 S HN 0.379 nan 8.310 nan 0.000 0.488 117 R N 0.213 120.701 120.500 -0.020 0.000 3.989 117 R HA -0.146 4.198 4.340 0.007 0.000 0.377 117 R C 0.397 176.672 176.300 -0.042 0.000 1.158 117 R CA 0.442 56.527 56.100 -0.025 0.000 1.035 117 R CB -2.822 27.467 30.300 -0.019 0.000 1.557 117 R HN 0.645 nan 8.270 nan 0.000 0.551 118 A N 0.805 123.586 122.820 -0.063 0.000 2.313 118 A HA 0.471 4.795 4.320 0.007 0.000 0.261 118 A C 0.550 178.096 177.584 -0.062 0.000 1.090 118 A CA 0.129 52.121 52.037 -0.075 0.000 0.807 118 A CB 0.464 19.392 19.000 -0.118 0.000 1.055 118 A HN 0.149 nan 8.150 nan 0.000 0.492 119 T N 3.444 117.968 114.554 -0.049 0.000 2.743 119 T HA 0.512 4.867 4.350 0.007 0.000 0.293 119 T C -2.457 172.219 174.700 -0.040 0.000 0.945 119 T CA -0.756 61.318 62.100 -0.042 0.000 1.030 119 T CB 0.896 69.744 68.868 -0.032 0.000 0.912 119 T HN 0.555 nan 8.240 nan 0.000 0.483 120 P HA 0.418 nan 4.420 nan 0.000 0.278 120 P C -0.479 176.816 177.300 -0.008 0.000 1.238 120 P CA -0.710 62.349 63.100 -0.068 0.000 0.794 120 P CB 1.060 32.673 31.700 -0.146 0.000 0.955 121 R N 0.404 120.975 120.500 0.118 0.000 2.668 121 R HA 0.808 5.153 4.340 0.007 0.000 0.279 121 R C 0.426 176.752 176.300 0.043 0.000 0.976 121 R CA -0.351 55.784 56.100 0.059 0.000 0.978 121 R CB 1.780 32.112 30.300 0.054 0.000 1.133 121 R HN 0.705 nan 8.270 nan 0.000 0.484 122 G N 0.475 109.241 108.800 -0.057 0.000 2.708 122 G HA2 0.332 4.296 3.960 0.007 0.000 0.289 122 G HA3 0.332 4.296 3.960 0.007 0.000 0.289 122 G C -2.315 172.437 174.900 -0.246 0.000 1.416 122 G CA -1.160 43.874 45.100 -0.110 0.000 0.829 122 G HN 0.364 nan 8.290 nan 0.000 0.480 123 P HA -0.009 nan 4.420 nan 0.000 0.215 123 P C 0.619 177.734 177.300 -0.308 0.000 1.153 123 P CA 1.026 63.621 63.100 -0.842 0.000 0.853 123 P CB 0.325 31.242 31.700 -1.304 0.000 0.788 124 S N -1.641 113.975 115.700 -0.140 0.000 2.595 124 S HA 0.286 4.761 4.470 0.007 0.000 0.281 124 S C -0.802 173.837 174.600 0.065 0.000 1.117 124 S CA -0.661 57.528 58.200 -0.020 0.000 0.873 124 S CB 2.031 65.231 63.200 -0.001 0.000 1.108 124 S HN 0.001 nan 8.310 nan 0.000 0.477 125 Q N 1.510 121.327 119.800 0.029 0.000 2.286 125 Q HA 0.381 4.725 4.340 0.007 0.000 0.267 125 Q C -1.507 174.545 176.000 0.087 0.000 1.028 125 Q CA 0.050 55.855 55.803 0.003 0.000 0.901 125 Q CB 0.127 28.875 28.738 0.017 0.000 1.183 125 Q HN 0.686 nan 8.270 nan 0.000 0.392 126 Y N 0.878 121.169 120.300 -0.015 0.000 2.571 126 Y HA 0.745 5.297 4.550 0.003 0.000 0.341 126 Y C -1.433 174.354 175.900 -0.189 0.000 1.076 126 Y CA -1.421 56.635 58.100 -0.073 0.000 1.029 126 Y CB 0.780 39.184 38.460 -0.093 0.000 1.308 126 Y HN 0.555 nan 8.280 nan 0.000 0.461 127 A N 2.137 124.758 122.820 -0.331 0.000 2.309 127 A HA 0.482 4.807 4.320 0.007 0.000 0.290 127 A C 0.280 177.822 177.584 -0.070 0.000 1.206 127 A CA -0.265 51.360 52.037 -0.686 0.000 0.850 127 A CB 0.081 18.462 19.000 -1.032 0.000 1.118 127 A HN 0.844 nan 8.150 nan 0.000 0.523 128 S N 1.297 117.017 115.700 0.033 0.000 2.552 128 S HA 0.026 4.500 4.470 0.007 0.000 0.289 128 S C 1.426 176.183 174.600 0.262 0.000 1.304 128 S CA 0.291 58.717 58.200 0.377 0.000 1.063 128 S CB 0.342 63.823 63.200 0.468 0.000 0.848 128 S HN 0.762 nan 8.310 nan 0.000 0.499 129 E N 4.570 124.969 120.200 0.332 0.000 2.427 129 E HA -0.098 4.256 4.350 0.007 0.000 0.196 129 E C 1.148 177.909 176.600 0.267 0.000 1.028 129 E CA 0.610 57.145 56.400 0.225 0.000 0.864 129 E CB -0.216 29.614 29.700 0.218 0.000 0.813 129 E HN 0.735 nan 8.360 nan 0.000 0.514 130 F N 1.922 121.949 119.950 0.128 0.000 2.315 130 F HA 0.216 4.746 4.527 0.006 0.000 0.284 130 F C 0.782 176.634 175.800 0.087 0.000 1.049 130 F CA 0.371 58.414 58.000 0.072 0.000 1.323 130 F CB 0.399 39.395 39.000 -0.007 0.000 1.113 130 F HN -0.253 nan 8.300 nan 0.000 0.544 131 E N 1.437 121.718 120.200 0.136 0.000 2.079 131 E HA 0.131 4.485 4.350 0.007 0.000 0.252 131 E C 1.020 177.625 176.600 0.008 0.000 0.992 131 E CA 0.344 56.725 56.400 -0.032 0.000 0.829 131 E CB 0.577 30.305 29.700 0.048 0.000 1.158 131 E HN 0.410 nan 8.360 nan 0.000 0.435 132 T N -0.899 113.636 114.554 -0.032 0.000 3.072 132 T HA -0.003 4.351 4.350 0.007 0.000 0.266 132 T C 1.419 176.088 174.700 -0.053 0.000 1.127 132 T CA 0.459 62.535 62.100 -0.041 0.000 1.107 132 T CB 0.034 68.885 68.868 -0.030 0.000 0.910 132 T HN 0.275 nan 8.240 nan 0.000 0.513 133 L N 0.994 122.210 121.223 -0.013 0.000 2.667 133 L HA 0.349 4.693 4.340 0.007 0.000 0.232 133 L C 0.965 177.906 176.870 0.118 0.000 1.138 133 L CA -0.311 54.571 54.840 0.070 0.000 0.921 133 L CB 0.312 42.397 42.059 0.043 0.000 1.180 133 L HN 0.195 nan 8.230 nan 0.000 0.487 134 S N -0.269 115.450 115.700 0.031 0.000 2.422 134 S HA 0.485 4.959 4.470 0.007 0.000 0.308 134 S C -0.876 173.703 174.600 -0.035 0.000 1.097 134 S CA -0.317 57.911 58.200 0.048 0.000 1.099 134 S CB 0.386 63.607 63.200 0.035 0.000 0.976 134 S HN 0.077 nan 8.310 nan 0.000 0.471 135 Y N 2.345 122.576 120.300 -0.115 0.000 2.528 135 Y HA 0.600 5.152 4.550 0.002 0.000 0.335 135 Y C 0.724 176.476 175.900 -0.247 0.000 1.093 135 Y CA -0.896 57.089 58.100 -0.190 0.000 1.134 135 Y CB 1.405 39.787 38.460 -0.130 0.000 1.253 135 Y HN 0.882 nan 8.280 nan 0.000 0.478 136 C N 0.555 119.734 119.300 -0.201 0.000 2.595 136 C HA 0.707 5.171 4.460 0.007 0.000 0.338 136 C C -0.466 174.454 174.990 -0.118 0.000 1.219 136 C CA -1.458 57.439 59.018 -0.201 0.000 1.811 136 C CB 1.325 28.858 27.740 -0.346 0.000 2.313 136 C HN 0.913 nan 8.230 nan 0.000 0.499 137 K N 1.278 121.629 120.400 -0.083 0.000 2.249 137 K HA 0.208 4.532 4.320 0.007 0.000 0.280 137 K C 0.112 176.675 176.600 -0.061 0.000 1.033 137 K CA 0.193 56.446 56.287 -0.057 0.000 0.946 137 K CB 0.652 33.129 32.500 -0.039 0.000 1.005 137 K HN 0.935 nan 8.250 nan 0.000 0.469 138 E N 4.732 124.903 120.200 -0.048 0.000 2.376 138 E HA -0.005 4.349 4.350 0.007 0.000 0.266 138 E C -0.508 176.069 176.600 -0.038 0.000 1.009 138 E CA -0.147 56.224 56.400 -0.047 0.000 0.902 138 E CB 0.613 30.296 29.700 -0.029 0.000 0.972 138 E HN 0.488 nan 8.360 nan 0.000 0.439 139 M N 4.287 123.862 119.600 -0.041 0.000 2.217 139 M HA 0.065 4.549 4.480 0.007 0.000 0.354 139 M C -0.090 176.203 176.300 -0.011 0.000 1.225 139 M CA -0.231 55.054 55.300 -0.025 0.000 1.137 139 M CB 0.544 33.142 32.600 -0.003 0.000 1.576 139 M HN 0.531 nan 8.290 nan 0.000 0.461 140 D N 1.977 122.368 120.400 -0.015 0.000 2.506 140 D HA 0.195 4.839 4.640 0.007 0.000 0.272 140 D C 0.609 176.902 176.300 -0.012 0.000 1.214 140 D CA -0.694 53.305 54.000 -0.000 0.000 1.067 140 D CB 0.584 41.384 40.800 0.001 0.000 1.117 140 D HN 0.304 nan 8.370 nan 0.000 0.578 141 L N -0.080 121.151 121.223 0.014 0.000 2.187 141 L HA -0.119 4.225 4.340 0.007 0.000 0.213 141 L C 2.253 179.111 176.870 -0.021 0.000 1.100 141 L CA 1.651 56.502 54.840 0.018 0.000 0.765 141 L CB -1.182 40.919 42.059 0.070 0.000 0.904 141 L HN 0.517 nan 8.230 nan 0.000 0.437 142 S N -1.334 114.349 115.700 -0.028 0.000 2.371 142 S HA -0.121 4.353 4.470 0.007 0.000 0.224 142 S C 1.589 176.137 174.600 -0.088 0.000 1.029 142 S CA 0.848 59.018 58.200 -0.050 0.000 0.978 142 S CB -0.387 62.790 63.200 -0.038 0.000 0.833 142 S HN 0.403 nan 8.310 nan 0.000 0.466 143 D N 1.952 122.302 120.400 -0.082 0.000 2.123 143 D HA -0.055 4.589 4.640 0.007 0.000 0.196 143 D C 1.873 178.084 176.300 -0.147 0.000 0.992 143 D CA 0.965 54.897 54.000 -0.113 0.000 0.833 143 D CB -0.362 40.394 40.800 -0.073 0.000 0.954 143 D HN 0.379 nan 8.370 nan 0.000 0.455 144 I N 1.078 121.580 120.570 -0.114 0.000 2.179 144 I HA -0.241 3.934 4.170 0.007 0.000 0.242 144 I C 2.512 178.546 176.117 -0.139 0.000 1.088 144 I CA 1.012 62.247 61.300 -0.109 0.000 1.357 144 I CB -0.223 37.630 38.000 -0.245 0.000 1.051 144 I HN -0.075 nan 8.210 nan 0.000 0.409 145 A N -0.076 122.660 122.820 -0.139 0.000 1.930 145 A HA -0.260 4.065 4.320 0.007 0.000 0.217 145 A C 2.309 179.775 177.584 -0.197 0.000 1.175 145 A CA 1.601 53.553 52.037 -0.141 0.000 0.627 145 A CB -0.618 18.327 19.000 -0.091 0.000 0.815 145 A HN 0.493 nan 8.150 nan 0.000 0.443 146 Q N -0.346 119.299 119.800 -0.258 0.000 2.046 146 Q HA -0.110 4.235 4.340 0.007 0.000 0.200 146 Q C 1.912 177.428 176.000 -0.806 0.000 0.975 146 Q CA 1.824 57.369 55.803 -0.429 0.000 0.836 146 Q CB -0.137 28.354 28.738 -0.411 0.000 0.896 146 Q HN 0.400 nan 8.270 nan 0.000 0.428 147 V N 1.044 120.535 119.914 -0.706 0.000 2.515 147 V HA -0.241 3.884 4.120 0.007 0.000 0.250 147 V C 2.139 178.130 176.094 -0.171 0.000 1.058 147 V CA 1.721 63.613 62.300 -0.679 0.000 1.064 147 V CB -0.443 31.106 31.823 -0.456 0.000 0.675 147 V HN 0.418 nan 8.190 nan 0.000 0.461 148 Q N -0.638 119.078 119.800 -0.141 0.000 2.167 148 Q HA -0.271 4.074 4.340 0.007 0.000 0.202 148 Q C 2.305 178.304 176.000 -0.001 0.000 0.970 148 Q CA 1.523 57.266 55.803 -0.101 0.000 0.855 148 Q CB -0.121 28.440 28.738 -0.295 0.000 0.911 148 Q HN 0.538 nan 8.270 nan 0.000 0.438 149 Q N 0.018 119.773 119.800 -0.074 0.000 2.123 149 Q HA -0.117 4.228 4.340 0.007 0.000 0.199 149 Q C 1.512 177.617 176.000 0.174 0.000 0.966 149 Q CA 1.212 57.023 55.803 0.015 0.000 0.845 149 Q CB -0.067 28.651 28.738 -0.034 0.000 0.907 149 Q HN 0.247 nan 8.270 nan 0.000 0.439 150 F N -0.587 119.368 119.950 0.007 0.000 2.091 150 F HA -0.246 4.286 4.527 0.008 0.000 0.299 150 F C 1.888 177.678 175.800 -0.015 0.000 1.103 150 F CA 1.064 59.041 58.000 -0.037 0.000 1.228 150 F CB -1.332 37.601 39.000 -0.113 0.000 0.984 150 F HN 0.188 nan 8.300 nan 0.000 0.477 151 Y N -0.474 119.934 120.300 0.180 0.000 2.181 151 Y HA -0.178 4.376 4.550 0.006 0.000 0.288 151 Y C 2.560 178.514 175.900 0.089 0.000 1.146 151 Y CA 1.360 59.528 58.100 0.114 0.000 1.164 151 Y CB -0.910 37.578 38.460 0.048 0.000 0.982 151 Y HN -0.206 nan 8.280 nan 0.000 0.515 152 V N -0.094 119.958 119.914 0.230 0.000 2.358 152 V HA -0.259 3.866 4.120 0.007 0.000 0.246 152 V C 1.735 177.908 176.094 0.131 0.000 1.047 152 V CA 2.026 64.415 62.300 0.149 0.000 1.035 152 V CB -0.499 31.386 31.823 0.104 0.000 0.658 152 V HN 0.357 nan 8.190 nan 0.000 0.452 153 D N 0.502 120.985 120.400 0.137 0.000 2.144 153 D HA -0.101 4.543 4.640 0.007 0.000 0.199 153 D C 2.203 178.564 176.300 0.103 0.000 0.984 153 D CA 1.609 55.676 54.000 0.112 0.000 0.834 153 D CB -0.264 40.606 40.800 0.117 0.000 0.955 153 D HN 0.442 nan 8.370 nan 0.000 0.465 154 A N 0.932 123.819 122.820 0.111 0.000 1.930 154 A HA 0.038 4.362 4.320 0.007 0.000 0.217 154 A C 2.299 179.946 177.584 0.105 0.000 1.175 154 A CA 1.843 53.939 52.037 0.098 0.000 0.627 154 A CB -0.601 18.448 19.000 0.082 0.000 0.815 154 A HN 0.215 nan 8.150 nan 0.000 0.443 155 A N -0.067 122.828 122.820 0.124 0.000 1.940 155 A HA -0.183 4.141 4.320 0.007 0.000 0.219 155 A C 2.102 179.747 177.584 0.103 0.000 1.176 155 A CA 2.019 54.125 52.037 0.115 0.000 0.631 155 A CB -0.390 18.683 19.000 0.121 0.000 0.814 155 A HN 0.526 nan 8.150 nan 0.000 0.446 156 K N -0.729 119.728 120.400 0.094 0.000 2.062 156 K HA -0.023 4.302 4.320 0.007 0.000 0.205 156 K C 2.266 178.919 176.600 0.089 0.000 1.051 156 K CA 1.195 57.530 56.287 0.081 0.000 0.941 156 K CB -0.144 32.397 32.500 0.069 0.000 0.719 156 K HN 0.364 nan 8.250 nan 0.000 0.440 157 R N 0.177 120.733 120.500 0.094 0.000 2.120 157 R HA -0.042 4.302 4.340 0.007 0.000 0.234 157 R C 2.261 178.647 176.300 0.143 0.000 1.123 157 R CA 1.243 57.404 56.100 0.101 0.000 0.975 157 R CB -0.128 30.229 30.300 0.095 0.000 0.866 157 R HN 0.084 nan 8.270 nan 0.000 0.446 158 S N 0.476 116.272 115.700 0.160 0.000 2.368 158 S HA -0.130 4.345 4.470 0.007 0.000 0.224 158 S C 1.817 176.598 174.600 0.303 0.000 1.029 158 S CA 0.978 59.337 58.200 0.264 0.000 0.988 158 S CB -0.136 63.143 63.200 0.132 0.000 0.838 158 S HN 0.327 nan 8.310 nan 0.000 0.462 159 R N 1.121 121.730 120.500 0.183 0.000 2.096 159 R HA -0.116 4.229 4.340 0.007 0.000 0.235 159 R C 1.313 177.679 176.300 0.110 0.000 1.127 159 R CA 1.623 57.809 56.100 0.143 0.000 0.968 159 R CB -0.233 30.123 30.300 0.093 0.000 0.861 159 R HN 0.251 nan 8.270 nan 0.000 0.440 160 D N 0.175 120.634 120.400 0.098 0.000 2.144 160 D HA -0.126 4.519 4.640 0.007 0.000 0.199 160 D C 1.506 177.839 176.300 0.054 0.000 0.984 160 D CA 1.466 55.506 54.000 0.066 0.000 0.834 160 D CB -0.122 40.713 40.800 0.059 0.000 0.955 160 D HN 0.382 nan 8.370 nan 0.000 0.465 161 A N -0.393 122.480 122.820 0.089 0.000 2.167 161 A HA 0.365 4.690 4.320 0.007 0.000 0.214 161 A C 1.703 179.208 177.584 -0.132 0.000 1.151 161 A CA 1.260 53.307 52.037 0.016 0.000 0.735 161 A CB -0.065 19.015 19.000 0.134 0.000 0.802 161 A HN 0.280 nan 8.150 nan 0.000 0.467 162 G N -2.198 106.570 108.800 -0.053 0.000 2.135 162 G HA2 -0.163 3.801 3.960 0.007 0.000 0.183 162 G HA3 -0.163 3.801 3.960 0.007 0.000 0.183 162 G C -0.180 174.668 174.900 -0.086 0.000 1.004 162 G CA -0.246 44.827 45.100 -0.044 0.000 0.677 162 G HN 0.222 nan 8.290 nan 0.000 0.512 163 F N 1.089 121.094 119.950 0.092 0.000 2.389 163 F HA 0.425 4.957 4.527 0.008 0.000 0.337 163 F C 1.403 177.271 175.800 0.114 0.000 1.112 163 F CA -0.237 57.816 58.000 0.087 0.000 1.192 163 F CB 0.911 39.950 39.000 0.064 0.000 1.185 163 F HN 0.027 nan 8.300 nan 0.000 0.552 164 D N 1.970 122.567 120.400 0.328 0.000 2.338 164 D HA 0.156 4.801 4.640 0.007 0.000 0.208 164 D C 0.273 176.686 176.300 0.189 0.000 0.997 164 D CA 1.060 55.196 54.000 0.227 0.000 0.880 164 D CB 0.847 41.782 40.800 0.224 0.000 0.980 164 D HN 0.237 nan 8.370 nan 0.000 0.509 165 I N 1.210 121.913 120.570 0.223 0.000 2.498 165 I HA 0.212 4.387 4.170 0.007 0.000 0.290 165 I C -0.903 175.287 176.117 0.121 0.000 1.032 165 I CA -0.783 60.601 61.300 0.140 0.000 1.073 165 I CB 3.103 41.199 38.000 0.161 0.000 1.251 165 I HN -0.388 nan 8.210 nan 0.000 0.426 166 V N 6.298 126.244 119.914 0.053 0.000 2.407 166 V HA 0.365 4.489 4.120 0.007 0.000 0.291 166 V C -0.884 175.256 176.094 0.077 0.000 1.018 166 V CA -0.689 61.657 62.300 0.076 0.000 0.842 166 V CB 1.336 33.206 31.823 0.078 0.000 0.996 166 V HN 0.417 nan 8.190 nan 0.000 0.426 167 Y N 2.902 123.245 120.300 0.072 0.000 2.310 167 Y HA 0.521 5.075 4.550 0.007 0.000 0.326 167 Y C 0.360 176.373 175.900 0.189 0.000 1.151 167 Y CA -0.189 57.989 58.100 0.130 0.000 1.195 167 Y CB 1.944 40.478 38.460 0.122 0.000 1.210 167 Y HN 0.467 nan 8.280 nan 0.000 0.483 168 V N 5.847 125.989 119.914 0.381 0.000 2.347 168 V HA 0.321 4.445 4.120 0.007 0.000 0.280 168 V C -1.584 174.790 176.094 0.466 0.000 1.021 168 V CA -0.685 61.837 62.300 0.370 0.000 0.847 168 V CB 0.490 32.402 31.823 0.149 0.000 0.990 168 V HN 0.629 nan 8.190 nan 0.000 0.444 169 Y N 6.129 126.616 120.300 0.312 0.000 2.477 169 Y HA 0.715 5.271 4.550 0.009 0.000 0.349 169 Y C 0.692 176.698 175.900 0.177 0.000 0.977 169 Y CA -1.114 57.172 58.100 0.309 0.000 1.214 169 Y CB 1.209 39.872 38.460 0.338 0.000 1.124 169 Y HN 0.723 nan 8.280 nan 0.000 0.521 170 G N 4.780 113.709 108.800 0.215 0.000 4.828 170 G HA2 0.586 4.551 3.960 0.007 0.000 0.294 170 G HA3 0.586 4.551 3.960 0.007 0.000 0.294 170 G C -0.617 174.391 174.900 0.180 0.000 1.288 170 G CA 0.146 45.120 45.100 -0.211 0.000 0.987 170 G HN 0.865 nan 8.290 nan 0.000 0.587 171 A N -0.530 122.344 122.820 0.090 0.000 2.346 171 A HA 0.748 5.072 4.320 0.007 0.000 0.313 171 A C 0.469 177.891 177.584 -0.270 0.000 1.140 171 A CA -0.690 51.349 52.037 0.004 0.000 0.826 171 A CB 0.470 19.534 19.000 0.107 0.000 1.332 171 A HN 0.776 nan 8.150 nan 0.000 0.457 172 H N -0.197 118.790 119.070 -0.137 0.000 2.820 172 H HA -0.150 4.410 4.556 0.007 0.000 0.295 172 H C 0.628 175.592 175.328 -0.606 0.000 1.187 172 H CA 0.774 56.591 56.048 -0.385 0.000 1.144 172 H CB -2.050 27.411 29.762 -0.501 0.000 1.354 172 H HN 0.995 nan 8.280 nan 0.000 0.395 173 S N -2.459 113.090 115.700 -0.252 0.000 3.614 173 S HA -0.256 4.218 4.470 0.007 0.000 0.360 173 S C 0.177 174.664 174.600 -0.189 0.000 1.023 173 S CA 1.117 59.240 58.200 -0.128 0.000 1.114 173 S CB -1.120 62.103 63.200 0.039 0.000 0.907 173 S HN 0.525 nan 8.310 nan 0.000 0.470 174 Y N -0.447 119.823 120.300 -0.050 0.000 2.496 174 Y HA 0.543 5.097 4.550 0.007 0.000 0.325 174 Y C 1.440 177.266 175.900 -0.124 0.000 1.271 174 Y CA -1.173 56.910 58.100 -0.027 0.000 1.368 174 Y CB -0.208 38.236 38.460 -0.028 0.000 1.415 174 Y HN 0.104 nan 8.280 nan 0.000 0.527 175 L N 2.225 123.540 121.223 0.152 0.000 1.997 175 L HA -0.168 4.177 4.340 0.007 0.000 0.216 175 L C -1.056 175.772 176.870 -0.070 0.000 1.074 175 L CA 2.356 57.217 54.840 0.036 0.000 0.763 175 L CB -1.606 40.542 42.059 0.148 0.000 0.890 175 L HN 0.496 nan 8.230 nan 0.000 0.434 176 P HA -0.184 nan 4.420 nan 0.000 0.219 176 P C 1.960 179.139 177.300 -0.202 0.000 1.146 176 P CA 1.146 64.040 63.100 -0.343 0.000 0.808 176 P CB -0.096 30.910 31.700 -1.157 0.000 0.779 177 L N -0.613 120.492 121.223 -0.197 0.000 2.270 177 L HA -0.029 4.315 4.340 0.007 0.000 0.210 177 L C 1.921 178.839 176.870 0.079 0.000 1.104 177 L CA 1.661 56.534 54.840 0.054 0.000 0.804 177 L CB -0.864 41.243 42.059 0.079 0.000 0.937 177 L HN 0.031 nan 8.230 nan 0.000 0.450 178 Q N -1.096 118.651 119.800 -0.088 0.000 2.167 178 Q HA -0.199 4.145 4.340 0.007 0.000 0.202 178 Q C 2.023 177.967 176.000 -0.093 0.000 0.970 178 Q CA 1.617 57.270 55.803 -0.250 0.000 0.855 178 Q CB -0.074 28.314 28.738 -0.584 0.000 0.911 178 Q HN 0.381 nan 8.270 nan 0.000 0.438 179 F N -0.039 119.849 119.950 -0.104 0.000 2.146 179 F HA -0.173 4.361 4.527 0.011 0.000 0.298 179 F C 1.992 177.845 175.800 0.088 0.000 1.096 179 F CA 0.702 58.691 58.000 -0.018 0.000 1.275 179 F CB -0.123 38.852 39.000 -0.041 0.000 1.008 179 F HN 0.089 nan 8.300 nan 0.000 0.480 180 L N -0.093 121.303 121.223 0.288 0.000 2.141 180 L HA -0.076 4.269 4.340 0.007 0.000 0.209 180 L C 0.725 177.705 176.870 0.184 0.000 1.094 180 L CA 1.235 56.203 54.840 0.213 0.000 0.763 180 L CB -0.581 41.574 42.059 0.161 0.000 0.908 180 L HN -0.044 nan 8.230 nan 0.000 0.437 181 N N -0.172 118.647 118.700 0.199 0.000 2.426 181 N HA 0.182 4.927 4.740 0.007 0.000 0.257 181 N C -1.952 173.650 175.510 0.154 0.000 1.002 181 N CA -2.407 50.758 53.050 0.192 0.000 0.942 181 N CB 1.371 40.021 38.487 0.271 0.000 1.112 181 N HN -0.034 nan 8.380 nan 0.000 0.499 182 P HA -0.152 nan 4.420 nan 0.000 0.223 182 P C 1.018 178.332 177.300 0.023 0.000 1.144 182 P CA 0.825 63.961 63.100 0.060 0.000 0.783 182 P CB 0.011 31.745 31.700 0.057 0.000 0.771 183 Y N -0.035 120.160 120.300 -0.175 0.000 2.274 183 Y HA -0.218 4.338 4.550 0.011 0.000 0.290 183 Y C 1.712 177.305 175.900 -0.511 0.000 1.145 183 Y CA 1.598 59.473 58.100 -0.375 0.000 1.203 183 Y CB -0.650 37.481 38.460 -0.548 0.000 0.984 183 Y HN -0.118 nan 8.280 nan 0.000 0.533 184 Y N -1.530 118.617 120.300 -0.255 0.000 2.422 184 Y HA 0.140 4.693 4.550 0.006 0.000 0.291 184 Y C 0.982 176.706 175.900 -0.293 0.000 1.144 184 Y CA 0.319 58.138 58.100 -0.469 0.000 1.208 184 Y CB -0.518 37.620 38.460 -0.537 0.000 1.195 184 Y HN -0.122 nan 8.280 nan 0.000 0.535 185 N N 1.987 120.672 118.700 -0.025 0.000 2.415 185 N HA 0.009 4.754 4.740 0.007 0.000 0.250 185 N C -0.134 175.356 175.510 -0.033 0.000 1.127 185 N CA 0.193 53.197 53.050 -0.078 0.000 0.945 185 N CB 0.353 38.810 38.487 -0.051 0.000 1.196 185 N HN 0.144 nan 8.380 nan 0.000 0.499 186 K N 2.700 123.077 120.400 -0.039 0.000 2.397 186 K HA 0.167 4.491 4.320 0.007 0.000 0.202 186 K C 0.390 176.995 176.600 0.008 0.000 1.022 186 K CA -0.194 56.086 56.287 -0.012 0.000 1.141 186 K CB 0.585 33.075 32.500 -0.017 0.000 0.857 186 K HN 0.428 nan 8.250 nan 0.000 0.514 187 R N 0.893 121.403 120.500 0.016 0.000 2.774 187 R HA 0.055 4.399 4.340 0.007 0.000 0.269 187 R C 1.046 177.384 176.300 0.063 0.000 1.068 187 R CA 0.721 56.850 56.100 0.048 0.000 1.180 187 R CB 0.141 30.496 30.300 0.092 0.000 1.077 187 R HN 0.101 nan 8.270 nan 0.000 0.513 188 T N -3.634 110.961 114.554 0.068 0.000 3.170 188 T HA 0.057 4.412 4.350 0.007 0.000 0.288 188 T C -0.031 174.712 174.700 0.072 0.000 0.992 188 T CA -0.588 61.549 62.100 0.062 0.000 0.909 188 T CB -0.145 68.750 68.868 0.044 0.000 1.133 188 T HN 0.647 nan 8.240 nan 0.000 0.530 189 D N 1.902 122.365 120.400 0.104 0.000 2.560 189 D HA 0.183 4.827 4.640 0.007 0.000 0.277 189 D C 1.240 177.598 176.300 0.098 0.000 1.194 189 D CA -0.812 53.253 54.000 0.108 0.000 1.092 189 D CB 0.723 41.613 40.800 0.149 0.000 1.169 189 D HN 0.269 nan 8.370 nan 0.000 0.607 190 K N -1.364 119.067 120.400 0.051 0.000 2.555 190 K HA -0.069 4.255 4.320 0.007 0.000 0.193 190 K C 0.457 176.946 176.600 -0.186 0.000 1.032 190 K CA 0.838 57.070 56.287 -0.092 0.000 1.004 190 K CB -0.445 31.936 32.500 -0.198 0.000 0.804 190 K HN 0.280 nan 8.250 nan 0.000 0.496 191 Y N 0.797 121.182 120.300 0.142 0.000 2.555 191 Y HA 0.350 4.903 4.550 0.005 0.000 0.259 191 Y C 0.792 176.833 175.900 0.235 0.000 1.179 191 Y CA -0.449 57.786 58.100 0.225 0.000 1.230 191 Y CB 1.389 40.050 38.460 0.335 0.000 1.146 191 Y HN 0.204 nan 8.280 nan 0.000 0.526 192 G N -1.913 107.034 108.800 0.244 0.000 2.672 192 G HA2 0.517 4.482 3.960 0.007 0.000 0.292 192 G HA3 0.517 4.482 3.960 0.007 0.000 0.292 192 G C 0.289 175.260 174.900 0.117 0.000 1.375 192 G CA -0.188 45.018 45.100 0.176 0.000 0.890 192 G HN 0.334 nan 8.290 nan 0.000 0.476 193 G N 0.119 108.977 108.800 0.096 0.000 4.315 193 G HA2 -0.041 3.924 3.960 0.007 0.000 0.280 193 G HA3 -0.041 3.924 3.960 0.007 0.000 0.280 193 G C 1.072 176.017 174.900 0.074 0.000 1.649 193 G CA 0.886 46.029 45.100 0.073 0.000 1.108 193 G HN 2.284 nan 8.290 nan 0.000 0.667 194 S N 1.091 116.833 115.700 0.069 0.000 2.614 194 S HA 0.587 5.061 4.470 0.007 0.000 0.265 194 S C 1.435 176.086 174.600 0.086 0.000 1.303 194 S CA 0.397 58.636 58.200 0.066 0.000 1.000 194 S CB 1.812 65.042 63.200 0.049 0.000 0.935 194 S HN 1.624 nan 8.310 nan 0.000 0.551 195 L N 1.001 122.276 121.223 0.087 0.000 2.042 195 L HA -0.066 4.278 4.340 0.007 0.000 0.210 195 L C 2.583 179.526 176.870 0.121 0.000 1.076 195 L CA 2.263 57.170 54.840 0.112 0.000 0.749 195 L CB -1.130 40.995 42.059 0.110 0.000 0.893 195 L HN 1.021 nan 8.230 nan 0.000 0.432 196 E N -0.852 119.400 120.200 0.087 0.000 2.085 196 E HA -0.264 4.090 4.350 0.007 0.000 0.194 196 E C 1.772 178.413 176.600 0.068 0.000 0.994 196 E CA 1.499 57.941 56.400 0.070 0.000 0.801 196 E CB 0.002 29.723 29.700 0.035 0.000 0.743 196 E HN 0.573 nan 8.360 nan 0.000 0.453 197 N N 0.338 119.076 118.700 0.064 0.000 2.171 197 N HA -0.073 4.671 4.740 0.007 0.000 0.184 197 N C 1.751 177.355 175.510 0.157 0.000 1.021 197 N CA 0.912 53.996 53.050 0.056 0.000 0.854 197 N CB -0.220 38.301 38.487 0.056 0.000 0.994 197 N HN 0.115 nan 8.380 nan 0.000 0.426 198 R N 0.370 120.983 120.500 0.188 0.000 2.148 198 R HA 0.119 4.463 4.340 0.007 0.000 0.227 198 R C 1.822 178.290 176.300 0.280 0.000 1.103 198 R CA 1.054 57.308 56.100 0.257 0.000 0.983 198 R CB -0.112 30.305 30.300 0.196 0.000 0.874 198 R HN 0.159 nan 8.270 nan 0.000 0.451 199 A N 0.593 123.555 122.820 0.237 0.000 2.123 199 A HA -0.056 4.268 4.320 0.007 0.000 0.214 199 A C 1.969 179.739 177.584 0.310 0.000 1.152 199 A CA 0.458 52.669 52.037 0.291 0.000 0.728 199 A CB -0.278 18.935 19.000 0.355 0.000 0.814 199 A HN 0.189 nan 8.150 nan 0.000 0.464 200 R N -1.133 119.506 120.500 0.232 0.000 2.083 200 R HA -0.186 4.158 4.340 0.007 0.000 0.237 200 R C 1.874 178.306 176.300 0.220 0.000 1.137 200 R CA 2.029 58.218 56.100 0.149 0.000 0.951 200 R CB -0.495 29.781 30.300 -0.039 0.000 0.851 200 R HN 0.476 nan 8.270 nan 0.000 0.434 201 F N 0.111 120.153 119.950 0.154 0.000 2.126 201 F HA -0.266 4.266 4.527 0.009 0.000 0.299 201 F C 2.043 177.826 175.800 -0.028 0.000 1.096 201 F CA 1.631 59.566 58.000 -0.108 0.000 1.255 201 F CB -0.325 38.171 39.000 -0.840 0.000 0.997 201 F HN 0.186 nan 8.300 nan 0.000 0.479 202 W N 0.366 121.719 121.300 0.089 0.000 2.379 202 W HA -0.142 4.521 4.660 0.006 0.000 0.307 202 W C 2.020 178.528 176.519 -0.019 0.000 1.200 202 W CA 0.962 58.339 57.345 0.053 0.000 1.297 202 W CB -0.924 28.625 29.460 0.148 0.000 1.140 202 W HN 0.010 nan 8.180 nan 0.000 0.507 203 L N 1.009 122.405 121.223 0.287 0.000 2.012 203 L HA -0.214 4.130 4.340 0.007 0.000 0.210 203 L C 2.364 179.232 176.870 -0.004 0.000 1.073 203 L CA 2.010 56.907 54.840 0.096 0.000 0.748 203 L CB -1.518 40.581 42.059 0.068 0.000 0.891 203 L HN 0.038 nan 8.230 nan 0.000 0.431 204 E N -1.522 118.641 120.200 -0.062 0.000 2.072 204 E HA -0.170 4.184 4.350 0.007 0.000 0.191 204 E C 1.978 178.453 176.600 -0.207 0.000 0.985 204 E CA 1.591 57.907 56.400 -0.140 0.000 0.801 204 E CB -0.087 29.512 29.700 -0.168 0.000 0.750 204 E HN 0.478 nan 8.360 nan 0.000 0.452 205 T N 1.629 115.986 114.554 -0.328 0.000 2.746 205 T HA -0.118 4.236 4.350 0.007 0.000 0.267 205 T C 1.963 176.561 174.700 -0.171 0.000 1.039 205 T CA 0.702 62.575 62.100 -0.379 0.000 1.142 205 T CB -0.175 68.303 68.868 -0.650 0.000 0.866 205 T HN 0.075 nan 8.240 nan 0.000 0.444 206 L N 1.098 122.288 121.223 -0.055 0.000 1.989 206 L HA -0.174 4.170 4.340 0.007 0.000 0.211 206 L C 2.954 179.807 176.870 -0.028 0.000 1.071 206 L CA 1.848 56.686 54.840 -0.004 0.000 0.749 206 L CB -0.571 41.500 42.059 0.020 0.000 0.890 206 L HN 0.511 nan 8.230 nan 0.000 0.431 207 E N -0.213 119.962 120.200 -0.041 0.000 2.208 207 E HA -0.205 4.149 4.350 0.007 0.000 0.193 207 E C 1.953 178.555 176.600 0.005 0.000 0.988 207 E CA 0.708 57.094 56.400 -0.024 0.000 0.828 207 E CB -0.116 29.560 29.700 -0.041 0.000 0.763 207 E HN 0.445 nan 8.360 nan 0.000 0.478 208 K N 0.837 121.222 120.400 -0.026 0.000 2.057 208 K HA -0.046 4.278 4.320 0.007 0.000 0.206 208 K C 2.198 178.834 176.600 0.060 0.000 1.050 208 K CA 1.223 57.515 56.287 0.007 0.000 0.935 208 K CB 0.062 32.532 32.500 -0.049 0.000 0.715 208 K HN 0.007 nan 8.250 nan 0.000 0.439 209 V N 1.776 121.709 119.914 0.031 0.000 2.358 209 V HA -0.231 3.893 4.120 0.007 0.000 0.246 209 V C 2.310 178.434 176.094 0.050 0.000 1.047 209 V CA 1.590 63.923 62.300 0.055 0.000 1.035 209 V CB -0.350 31.507 31.823 0.056 0.000 0.658 209 V HN 0.311 nan 8.190 nan 0.000 0.452 210 K N -0.311 120.110 120.400 0.035 0.000 2.063 210 K HA -0.293 4.031 4.320 0.007 0.000 0.208 210 K C 2.227 178.853 176.600 0.043 0.000 1.048 210 K CA 2.140 58.442 56.287 0.024 0.000 0.928 210 K CB -0.269 32.236 32.500 0.007 0.000 0.713 210 K HN 0.628 nan 8.250 nan 0.000 0.442 211 H N -0.351 118.711 119.070 -0.014 0.000 2.389 211 H HA 0.018 4.578 4.556 0.008 0.000 0.299 211 H C 1.601 176.930 175.328 0.002 0.000 1.081 211 H CA 1.845 57.887 56.048 -0.009 0.000 1.345 211 H CB -0.064 29.690 29.762 -0.015 0.000 1.393 211 H HN 0.328 nan 8.280 nan 0.000 0.520 212 A N -0.103 122.725 122.820 0.013 0.000 1.897 212 A HA -0.005 4.320 4.320 0.007 0.000 0.215 212 A C 2.047 179.607 177.584 -0.040 0.000 1.181 212 A CA 2.084 54.110 52.037 -0.018 0.000 0.620 212 A CB -0.278 18.755 19.000 0.056 0.000 0.821 212 A HN 0.513 nan 8.150 nan 0.000 0.443 213 V N -4.557 115.349 119.914 -0.013 0.000 3.382 213 V HA 0.419 4.543 4.120 0.007 0.000 0.296 213 V C 1.665 177.757 176.094 -0.004 0.000 1.529 213 V CA 0.600 62.901 62.300 0.001 0.000 1.048 213 V CB -0.421 31.426 31.823 0.040 0.000 0.878 213 V HN 0.338 nan 8.190 nan 0.000 0.442 214 G N 1.437 110.226 108.800 -0.019 0.000 2.479 214 G HA2 -0.169 3.796 3.960 0.007 0.000 0.220 214 G HA3 -0.169 3.796 3.960 0.007 0.000 0.220 214 G C 1.391 176.280 174.900 -0.018 0.000 1.115 214 G CA 1.428 46.518 45.100 -0.016 0.000 0.757 214 G HN 0.583 nan 8.290 nan 0.000 0.560 215 S N 0.641 116.325 115.700 -0.027 0.000 2.387 215 S HA -0.032 4.442 4.470 0.007 0.000 0.226 215 S C 1.658 176.253 174.600 -0.008 0.000 1.026 215 S CA 1.115 59.302 58.200 -0.022 0.000 0.972 215 S CB -0.015 63.165 63.200 -0.033 0.000 0.814 215 S HN 0.457 nan 8.310 nan 0.000 0.477 216 D N -0.439 119.961 120.400 0.001 0.000 2.392 216 D HA 0.196 4.840 4.640 0.007 0.000 0.206 216 D C 0.051 176.370 176.300 0.032 0.000 1.046 216 D CA 0.333 54.342 54.000 0.015 0.000 0.865 216 D CB 0.383 41.194 40.800 0.019 0.000 0.969 216 D HN 0.286 nan 8.370 nan 0.000 0.509 217 C N 1.151 120.470 119.300 0.032 0.000 2.626 217 C HA 0.714 5.178 4.460 0.007 0.000 0.310 217 C C 0.278 175.283 174.990 0.026 0.000 1.191 217 C CA -1.134 57.913 59.018 0.050 0.000 1.517 217 C CB 1.518 29.299 27.740 0.067 0.000 2.102 217 C HN 0.257 nan 8.230 nan 0.000 0.479 218 A N 3.311 126.148 122.820 0.028 0.000 2.401 218 A HA 0.626 4.950 4.320 0.007 0.000 0.259 218 A C -0.292 177.267 177.584 -0.042 0.000 1.103 218 A CA 0.026 52.058 52.037 -0.009 0.000 0.789 218 A CB 0.048 19.049 19.000 0.001 0.000 1.035 218 A HN 0.719 nan 8.150 nan 0.000 0.491 219 I N 2.275 122.799 120.570 -0.078 0.000 2.307 219 I HA 0.461 4.635 4.170 0.007 0.000 0.289 219 I C 0.655 176.654 176.117 -0.198 0.000 1.021 219 I CA -0.042 61.196 61.300 -0.103 0.000 1.224 219 I CB 0.303 38.256 38.000 -0.078 0.000 1.376 219 I HN 0.694 nan 8.210 nan 0.000 0.470 220 A N 4.795 127.437 122.820 -0.296 0.000 2.322 220 A HA 0.855 5.179 4.320 0.007 0.000 0.327 220 A C -0.132 177.294 177.584 -0.263 0.000 1.134 220 A CA -0.516 51.251 52.037 -0.451 0.000 0.831 220 A CB 1.723 20.163 19.000 -0.933 0.000 1.288 220 A HN 0.582 nan 8.150 nan 0.000 0.472 221 T N -0.347 114.142 114.554 -0.108 0.000 2.893 221 T HA 0.570 4.924 4.350 0.007 0.000 0.293 221 T C -0.949 174.105 174.700 0.590 0.000 1.027 221 T CA -0.537 61.746 62.100 0.306 0.000 0.988 221 T CB 1.005 70.028 68.868 0.259 0.000 1.043 221 T HN 0.732 nan 8.240 nan 0.000 0.461 222 R N 3.480 124.465 120.500 0.808 0.000 2.265 222 R HA 0.634 4.978 4.340 0.007 0.000 0.328 222 R C -1.827 174.981 176.300 0.846 0.000 0.969 222 R CA -0.844 55.698 56.100 0.736 0.000 0.832 222 R CB 0.032 30.656 30.300 0.541 0.000 1.139 222 R HN 0.429 nan 8.270 nan 0.000 0.457 223 F N 3.219 123.528 119.950 0.599 0.000 2.493 223 F HA 0.614 5.145 4.527 0.006 0.000 0.329 223 F C -0.021 175.984 175.800 0.342 0.000 1.126 223 F CA -1.808 56.569 58.000 0.627 0.000 0.937 223 F CB 2.157 41.579 39.000 0.704 0.000 1.146 223 F HN 0.644 nan 8.300 nan 0.000 0.442 224 G N 5.040 113.938 108.800 0.163 0.000 2.770 224 G HA2 0.301 4.266 3.960 0.007 0.000 0.307 224 G HA3 0.301 4.266 3.960 0.007 0.000 0.307 224 G C 0.584 175.095 174.900 -0.648 0.000 0.863 224 G CA -0.118 44.850 45.100 -0.221 0.000 1.595 224 G HN 0.735 nan 8.290 nan 0.000 0.496 225 V N 1.748 121.154 119.914 -0.848 0.000 2.913 225 V HA 0.037 4.161 4.120 0.007 0.000 0.260 225 V C 0.432 176.314 176.094 -0.353 0.000 1.098 225 V CA 1.553 63.299 62.300 -0.923 0.000 1.121 225 V CB -0.062 31.451 31.823 -0.515 0.000 0.714 225 V HN 0.611 nan 8.190 nan 0.000 0.487 226 D N -2.033 118.205 120.400 -0.270 0.000 2.977 226 D HA 0.190 4.835 4.640 0.007 0.000 0.220 226 D C 0.364 176.555 176.300 -0.181 0.000 1.267 226 D CA -0.013 53.902 54.000 -0.142 0.000 0.884 226 D CB 2.277 43.031 40.800 -0.078 0.000 1.667 226 D HN 0.089 nan 8.370 nan 0.000 0.536 227 T N 0.483 114.996 114.554 -0.069 0.000 3.129 227 T HA 0.038 4.392 4.350 0.007 0.000 0.251 227 T C 1.349 176.098 174.700 0.081 0.000 1.117 227 T CA 0.552 62.645 62.100 -0.012 0.000 1.034 227 T CB -0.357 68.502 68.868 -0.014 0.000 0.968 227 T HN 0.771 nan 8.240 nan 0.000 0.526 228 V N -1.484 118.397 119.914 -0.054 0.000 5.175 228 V HA -0.293 3.832 4.120 0.007 0.000 0.279 228 V C 0.248 176.256 176.094 -0.144 0.000 0.571 228 V CA 1.089 63.326 62.300 -0.104 0.000 0.694 228 V CB -3.056 28.594 31.823 -0.288 0.000 0.525 228 V HN 0.588 nan 8.190 nan 0.000 1.093 229 Y N 1.100 121.340 120.300 -0.099 0.000 2.445 229 Y HA 0.587 5.142 4.550 0.009 0.000 0.247 229 Y C 1.731 177.593 175.900 -0.063 0.000 1.129 229 Y CA 0.931 58.968 58.100 -0.105 0.000 1.251 229 Y CB 1.110 39.457 38.460 -0.188 0.000 1.176 229 Y HN 1.268 nan 8.280 nan 0.000 0.522 230 G N 1.035 109.875 108.800 0.067 0.000 2.660 230 G HA2 -0.177 3.788 3.960 0.007 0.000 0.247 230 G HA3 -0.177 3.788 3.960 0.007 0.000 0.247 230 G C -2.714 172.220 174.900 0.057 0.000 1.328 230 G CA -1.003 44.129 45.100 0.054 0.000 0.884 230 G HN -0.054 nan 8.290 nan 0.000 0.531 231 P HA 0.361 nan 4.420 nan 0.000 0.264 231 P C 0.998 178.318 177.300 0.033 0.000 1.193 231 P CA 1.853 64.976 63.100 0.039 0.000 0.763 231 P CB 0.748 32.468 31.700 0.034 0.000 0.810 232 G N 1.996 110.812 108.800 0.027 0.000 2.545 232 G HA2 -0.127 3.838 3.960 0.007 0.000 0.195 232 G HA3 -0.127 3.838 3.960 0.007 0.000 0.195 232 G C 0.141 175.029 174.900 -0.021 0.000 1.009 232 G CA -0.276 44.831 45.100 0.013 0.000 0.703 232 G HN 0.571 nan 8.290 nan 0.000 0.479 233 Q N -0.641 119.141 119.800 -0.031 0.000 3.375 233 Q HA 0.595 4.939 4.340 0.007 0.000 0.295 233 Q C -0.400 175.614 176.000 0.023 0.000 0.996 233 Q CA -1.042 54.730 55.803 -0.051 0.000 0.801 233 Q CB 0.849 29.473 28.738 -0.189 0.000 2.066 233 Q HN 0.150 nan 8.270 nan 0.000 0.424 234 I N 2.221 122.813 120.570 0.037 0.000 2.396 234 I HA 0.165 4.339 4.170 0.007 0.000 0.289 234 I C -0.064 176.090 176.117 0.062 0.000 1.056 234 I CA 0.538 61.883 61.300 0.076 0.000 1.365 234 I CB 0.018 38.083 38.000 0.109 0.000 1.407 234 I HN 0.476 nan 8.210 nan 0.000 0.509 235 E N 4.075 124.324 120.200 0.081 0.000 2.179 235 E HA 0.483 4.838 4.350 0.007 0.000 0.275 235 E C 0.545 177.202 176.600 0.094 0.000 0.945 235 E CA -0.577 55.877 56.400 0.091 0.000 0.792 235 E CB 2.041 31.790 29.700 0.081 0.000 1.125 235 E HN 0.661 nan 8.360 nan 0.000 0.397 236 A N 3.127 126.015 122.820 0.114 0.000 1.933 236 A HA -0.183 4.142 4.320 0.007 0.000 0.218 236 A C 1.449 179.069 177.584 0.060 0.000 1.175 236 A CA 1.365 53.456 52.037 0.090 0.000 0.628 236 A CB -0.143 18.944 19.000 0.144 0.000 0.814 236 A HN 0.661 nan 8.150 nan 0.000 0.444 237 E N -0.809 119.418 120.200 0.045 0.000 2.463 237 E HA 0.172 4.526 4.350 0.007 0.000 0.193 237 E C 0.721 177.341 176.600 0.034 0.000 1.041 237 E CA -0.032 56.381 56.400 0.021 0.000 0.879 237 E CB 0.349 30.046 29.700 -0.004 0.000 0.997 237 E HN 0.474 nan 8.360 nan 0.000 0.478 238 V N 0.489 120.437 119.914 0.056 0.000 3.945 238 V HA -0.046 4.079 4.120 0.007 0.000 0.196 238 V C 1.342 177.489 176.094 0.088 0.000 1.110 238 V CA 0.386 62.723 62.300 0.062 0.000 1.411 238 V CB -0.164 31.696 31.823 0.062 0.000 1.707 238 V HN 0.029 nan 8.190 nan 0.000 0.477 239 D N 1.005 121.475 120.400 0.116 0.000 2.149 239 D HA -0.029 4.615 4.640 0.007 0.000 0.201 239 D C 2.029 178.472 176.300 0.238 0.000 0.972 239 D CA 1.529 55.627 54.000 0.165 0.000 0.835 239 D CB -0.526 40.378 40.800 0.173 0.000 0.966 239 D HN 0.463 nan 8.370 nan 0.000 0.476 240 G N 1.052 109.987 108.800 0.225 0.000 2.514 240 G HA2 -0.325 3.640 3.960 0.007 0.000 0.217 240 G HA3 -0.325 3.640 3.960 0.007 0.000 0.217 240 G C 1.568 176.625 174.900 0.263 0.000 1.198 240 G CA 0.733 46.009 45.100 0.295 0.000 0.780 240 G HN 0.286 nan 8.290 nan 0.000 0.565 241 Q N -0.185 119.680 119.800 0.109 0.000 2.123 241 Q HA -0.012 4.333 4.340 0.007 0.000 0.199 241 Q C 2.677 178.680 176.000 0.005 0.000 0.966 241 Q CA 1.117 56.931 55.803 0.017 0.000 0.845 241 Q CB -0.068 28.665 28.738 -0.008 0.000 0.907 241 Q HN 0.419 nan 8.270 nan 0.000 0.439 242 K N -0.021 120.412 120.400 0.056 0.000 2.097 242 K HA -0.150 4.174 4.320 0.007 0.000 0.206 242 K C 1.743 178.364 176.600 0.035 0.000 1.049 242 K CA 1.075 57.387 56.287 0.041 0.000 0.933 242 K CB -0.156 32.385 32.500 0.068 0.000 0.717 242 K HN 0.091 nan 8.250 nan 0.000 0.442 243 F N 1.094 121.024 119.950 -0.033 0.000 2.146 243 F HA -0.184 4.348 4.527 0.009 0.000 0.298 243 F C 1.809 177.512 175.800 -0.162 0.000 1.096 243 F CA 0.988 58.914 58.000 -0.123 0.000 1.275 243 F CB -0.312 38.554 39.000 -0.223 0.000 1.008 243 F HN -0.280 nan 8.300 nan 0.000 0.480 244 V N 0.632 120.329 119.914 -0.361 0.000 2.332 244 V HA -0.310 3.814 4.120 0.007 0.000 0.248 244 V C 2.287 178.203 176.094 -0.297 0.000 1.055 244 V CA 2.319 64.254 62.300 -0.608 0.000 1.038 244 V CB -0.699 30.667 31.823 -0.762 0.000 0.651 244 V HN 0.362 nan 8.190 nan 0.000 0.450 245 E N -0.473 119.600 120.200 -0.211 0.000 2.051 245 E HA -0.242 4.112 4.350 0.007 0.000 0.192 245 E C 2.269 178.788 176.600 -0.135 0.000 0.991 245 E CA 1.563 57.889 56.400 -0.125 0.000 0.799 245 E CB -0.237 29.413 29.700 -0.084 0.000 0.748 245 E HN 0.533 nan 8.360 nan 0.000 0.449 246 M N 0.099 119.577 119.600 -0.202 0.000 2.108 246 M HA -0.154 4.330 4.480 0.007 0.000 0.261 246 M C 2.239 178.381 176.300 -0.263 0.000 1.066 246 M CA 1.559 56.733 55.300 -0.209 0.000 1.107 246 M CB -0.081 32.394 32.600 -0.209 0.000 1.356 246 M HN 0.099 nan 8.290 nan 0.000 0.406 247 A N -1.273 121.299 122.820 -0.414 0.000 2.267 247 A HA -0.031 4.294 4.320 0.007 0.000 0.213 247 A C 1.451 178.949 177.584 -0.143 0.000 1.192 247 A CA 0.572 52.375 52.037 -0.390 0.000 0.851 247 A CB -0.332 18.188 19.000 -0.800 0.000 0.881 247 A HN 0.342 nan 8.150 nan 0.000 0.494 248 D N 0.976 121.405 120.400 0.048 0.000 2.158 248 D HA -0.174 4.471 4.640 0.007 0.000 0.197 248 D C 2.257 178.568 176.300 0.018 0.000 0.995 248 D CA 2.041 56.157 54.000 0.193 0.000 0.846 248 D CB 0.064 40.963 40.800 0.164 0.000 0.941 248 D HN 0.488 nan 8.370 nan 0.000 0.456 249 S N -1.138 114.540 115.700 -0.036 0.000 2.481 249 S HA -0.023 4.452 4.470 0.007 0.000 0.231 249 S C 2.037 176.589 174.600 -0.080 0.000 0.996 249 S CA 0.300 58.471 58.200 -0.048 0.000 0.942 249 S CB -0.257 62.917 63.200 -0.043 0.000 0.768 249 S HN 0.300 nan 8.310 nan 0.000 0.520 250 L N 1.479 122.628 121.223 -0.124 0.000 2.354 250 L HA 0.283 4.627 4.340 0.007 0.000 0.212 250 L C 0.839 177.596 176.870 -0.187 0.000 1.091 250 L CA 0.038 54.796 54.840 -0.136 0.000 0.828 250 L CB 0.135 42.109 42.059 -0.142 0.000 0.973 250 L HN 0.360 nan 8.230 nan 0.000 0.461 251 V N -3.601 116.134 119.914 -0.298 0.000 2.509 251 V HA 0.262 4.386 4.120 0.007 0.000 0.284 251 V C 0.402 176.312 176.094 -0.307 0.000 1.047 251 V CA -0.532 61.514 62.300 -0.423 0.000 0.952 251 V CB 1.445 32.712 31.823 -0.926 0.000 0.988 251 V HN 0.056 nan 8.190 nan 0.000 0.469 252 D N 3.368 123.622 120.400 -0.244 0.000 2.323 252 D HA 0.167 4.811 4.640 0.007 0.000 0.209 252 D C 0.391 176.601 176.300 -0.151 0.000 0.973 252 D CA 1.221 55.128 54.000 -0.155 0.000 0.874 252 D CB 0.575 41.309 40.800 -0.110 0.000 0.930 252 D HN 0.721 nan 8.370 nan 0.000 0.521 253 M N -0.322 119.132 119.600 -0.243 0.000 2.389 253 M HA 0.212 4.696 4.480 0.007 0.000 0.291 253 M C -2.206 173.977 176.300 -0.196 0.000 1.128 253 M CA -0.561 54.648 55.300 -0.152 0.000 0.942 253 M CB 1.578 34.096 32.600 -0.136 0.000 1.783 253 M HN -0.239 nan 8.290 nan 0.000 0.501 254 W N 3.391 124.695 121.300 0.007 0.000 2.390 254 W HA 0.468 5.132 4.660 0.006 0.000 0.312 254 W C -0.330 176.254 176.519 0.108 0.000 1.123 254 W CA 0.145 57.541 57.345 0.085 0.000 1.202 254 W CB 0.913 30.430 29.460 0.095 0.000 1.251 254 W HN 0.432 nan 8.180 nan 0.000 0.511 255 D N 3.989 124.664 120.400 0.460 0.000 2.440 255 D HA 0.277 4.921 4.640 0.007 0.000 0.239 255 D C -1.048 175.501 176.300 0.415 0.000 1.084 255 D CA -0.331 53.903 54.000 0.390 0.000 0.843 255 D CB 0.873 41.983 40.800 0.515 0.000 1.097 255 D HN 0.064 nan 8.370 nan 0.000 0.531 256 I N 2.843 123.588 120.570 0.291 0.000 2.460 256 I HA 0.384 4.559 4.170 0.007 0.000 0.298 256 I C 0.988 177.168 176.117 0.106 0.000 0.989 256 I CA -0.479 60.945 61.300 0.206 0.000 1.173 256 I CB 1.311 39.387 38.000 0.127 0.000 1.338 256 I HN 0.421 nan 8.210 nan 0.000 0.456 257 T N 3.771 118.335 114.554 0.017 0.000 2.838 257 T HA 0.863 5.217 4.350 0.007 0.000 0.292 257 T C -0.445 174.142 174.700 -0.188 0.000 1.113 257 T CA -0.781 61.278 62.100 -0.068 0.000 1.008 257 T CB 2.374 71.189 68.868 -0.090 0.000 1.259 257 T HN 0.520 nan 8.240 nan 0.000 0.520 258 I N -2.300 118.123 120.570 -0.245 0.000 2.828 258 I HA 0.866 5.041 4.170 0.007 0.000 0.302 258 I C 0.252 176.213 176.117 -0.260 0.000 1.101 258 I CA -0.794 60.291 61.300 -0.358 0.000 1.031 258 I CB 1.573 39.177 38.000 -0.661 0.000 1.231 258 I HN 1.375 nan 8.210 nan 0.000 0.427 259 G N 3.373 112.039 108.800 -0.224 0.000 2.498 259 G HA2 0.039 4.004 3.960 0.007 0.000 0.651 259 G HA3 0.039 4.004 3.960 0.007 0.000 0.651 259 G C -1.353 173.527 174.900 -0.035 0.000 1.284 259 G CA 0.039 45.088 45.100 -0.086 0.000 0.950 259 G HN 1.189 nan 8.290 nan 0.000 0.511 260 D N -1.667 118.761 120.400 0.047 0.000 2.602 260 D HA 0.693 5.337 4.640 0.007 0.000 0.228 260 D C 1.392 177.682 176.300 -0.017 0.000 1.202 260 D CA 0.095 54.080 54.000 -0.024 0.000 1.084 260 D CB 0.437 41.186 40.800 -0.085 0.000 1.204 260 D HN 0.852 nan 8.370 nan 0.000 0.629 261 I N -0.438 120.027 120.570 -0.175 0.000 3.445 261 I HA 0.318 4.492 4.170 0.007 0.000 0.288 261 I C 1.993 177.953 176.117 -0.262 0.000 1.198 261 I CA 0.765 61.836 61.300 -0.382 0.000 1.417 261 I CB -0.451 37.029 38.000 -0.867 0.000 1.205 261 I HN 0.458 nan 8.210 nan 0.000 0.448 262 A N -0.193 122.548 122.820 -0.132 0.000 1.972 262 A HA -0.072 4.253 4.320 0.007 0.000 0.219 262 A C 1.524 179.218 177.584 0.184 0.000 1.169 262 A CA 1.448 53.540 52.037 0.091 0.000 0.635 262 A CB -0.440 18.651 19.000 0.152 0.000 0.810 262 A HN 0.557 nan 8.150 nan 0.000 0.446 263 E N -0.030 120.279 120.200 0.182 0.000 3.846 263 E HA 0.053 4.407 4.350 0.007 0.000 0.216 263 E C 0.151 176.860 176.600 0.182 0.000 1.092 263 E CA -0.475 56.022 56.400 0.163 0.000 1.370 263 E CB -0.022 29.762 29.700 0.140 0.000 1.227 263 E HN 0.910 nan 8.360 nan 0.000 0.442 264 W N 0.106 121.415 121.300 0.015 0.000 3.204 264 W HA 0.194 4.858 4.660 0.007 0.000 0.249 264 W C 0.653 177.203 176.519 0.052 0.000 1.322 264 W CA 0.292 57.660 57.345 0.037 0.000 1.593 264 W CB -0.628 28.843 29.460 0.018 0.000 1.122 264 W HN 0.119 nan 8.180 nan 0.000 0.710 265 G N 1.510 110.211 108.800 -0.164 0.000 2.559 265 G HA2 -0.251 3.714 3.960 0.007 0.000 0.216 265 G HA3 -0.251 3.714 3.960 0.007 0.000 0.216 265 G C 1.465 176.370 174.900 0.009 0.000 1.126 265 G CA 0.501 45.517 45.100 -0.140 0.000 0.778 265 G HN 0.166 nan 8.290 nan 0.000 0.543 266 E N 0.684 120.889 120.200 0.009 0.000 2.216 266 E HA -0.048 4.307 4.350 0.007 0.000 0.192 266 E C 1.849 178.403 176.600 -0.076 0.000 0.988 266 E CA 0.899 57.238 56.400 -0.102 0.000 0.834 266 E CB 0.002 29.621 29.700 -0.135 0.000 0.772 266 E HN 0.490 nan 8.360 nan 0.000 0.479 267 D N 1.083 121.524 120.400 0.068 0.000 2.113 267 D HA -0.042 4.602 4.640 0.007 0.000 0.206 267 D C 0.563 176.977 176.300 0.190 0.000 0.979 267 D CA 1.238 55.323 54.000 0.141 0.000 0.862 267 D CB -0.161 40.834 40.800 0.325 0.000 1.013 267 D HN -0.006 nan 8.370 nan 0.000 0.455 268 A N 0.531 123.460 122.820 0.180 0.000 3.026 268 A HA 0.510 4.834 4.320 0.007 0.000 0.272 268 A C 0.807 178.403 177.584 0.019 0.000 1.782 268 A CA 0.170 52.253 52.037 0.076 0.000 1.451 268 A CB -1.210 17.751 19.000 -0.066 0.000 1.081 268 A HN 0.330 nan 8.150 nan 0.000 0.611 269 G N 2.495 111.317 108.800 0.036 0.000 2.298 269 G HA2 0.402 4.366 3.960 0.007 0.000 0.263 269 G HA3 0.402 4.366 3.960 0.007 0.000 0.263 269 G C -2.598 172.350 174.900 0.080 0.000 1.229 269 G CA -0.667 44.425 45.100 -0.013 0.000 0.976 269 G HN 0.425 nan 8.290 nan 0.000 0.459 270 P HA 0.079 nan 4.420 nan 0.000 0.269 270 P C 1.150 178.477 177.300 0.045 0.000 1.209 270 P CA -0.246 62.918 63.100 0.107 0.000 0.776 270 P CB 1.131 32.917 31.700 0.143 0.000 0.876 271 S N 2.843 118.569 115.700 0.045 0.000 2.442 271 S HA -0.202 4.272 4.470 0.007 0.000 0.236 271 S C 1.836 176.346 174.600 -0.150 0.000 1.007 271 S CA 0.568 58.769 58.200 0.002 0.000 0.965 271 S CB -0.752 62.495 63.200 0.079 0.000 0.773 271 S HN 0.430 nan 8.310 nan 0.000 0.504 272 R N 0.140 120.480 120.500 -0.266 0.000 2.117 272 R HA -0.108 4.236 4.340 0.007 0.000 0.243 272 R C 1.007 176.796 176.300 -0.851 0.000 1.143 272 R CA 1.865 57.584 56.100 -0.635 0.000 0.968 272 R CB -0.219 29.565 30.300 -0.860 0.000 0.863 272 R HN 0.537 nan 8.270 nan 0.000 0.444 273 F N -2.446 117.320 119.950 -0.306 0.000 2.667 273 F HA 0.288 4.820 4.527 0.008 0.000 0.288 273 F C -0.137 175.195 175.800 -0.779 0.000 1.086 273 F CA -0.302 57.337 58.000 -0.601 0.000 1.297 273 F CB 0.356 38.848 39.000 -0.846 0.000 1.059 273 F HN -0.188 nan 8.300 nan 0.000 0.624 274 Y N 0.809 121.103 120.300 -0.009 0.000 2.425 274 Y HA 0.509 5.063 4.550 0.007 0.000 0.344 274 Y C -0.007 175.843 175.900 -0.083 0.000 0.969 274 Y CA -1.761 56.272 58.100 -0.111 0.000 1.052 274 Y CB 1.136 39.307 38.460 -0.481 0.000 1.215 274 Y HN -0.144 nan 8.280 nan 0.000 0.451 275 Q N 1.069 120.970 119.800 0.168 0.000 2.212 275 Q HA 0.262 4.606 4.340 0.007 0.000 0.238 275 Q C -0.479 175.640 176.000 0.197 0.000 0.955 275 Q CA -1.205 54.690 55.803 0.153 0.000 0.906 275 Q CB 1.331 30.158 28.738 0.147 0.000 1.215 275 Q HN 0.658 nan 8.270 nan 0.000 0.478 276 Q N -0.171 119.726 119.800 0.162 0.000 2.304 276 Q HA 0.055 4.400 4.340 0.007 0.000 0.301 276 Q C 0.446 176.526 176.000 0.133 0.000 1.063 276 Q CA 1.196 57.064 55.803 0.109 0.000 0.947 276 Q CB -0.026 28.797 28.738 0.141 0.000 1.201 276 Q HN 0.876 nan 8.270 nan 0.000 0.389 277 G N 2.938 111.720 108.800 -0.030 0.000 2.153 277 G HA2 -0.357 3.607 3.960 0.007 0.000 0.252 277 G HA3 -0.357 3.607 3.960 0.007 0.000 0.252 277 G C 0.169 175.157 174.900 0.147 0.000 0.994 277 G CA 0.904 46.090 45.100 0.143 0.000 0.698 277 G HN 1.135 nan 8.290 nan 0.000 0.521 278 H N -1.493 117.614 119.070 0.061 0.000 2.518 278 H HA 0.078 4.638 4.556 0.007 0.000 0.289 278 H C 2.305 177.728 175.328 0.159 0.000 1.051 278 H CA 1.938 58.058 56.048 0.120 0.000 1.280 278 H CB -0.206 29.618 29.762 0.104 0.000 1.380 278 H HN 0.490 nan 8.280 nan 0.000 0.566 279 T N -2.054 112.343 114.554 -0.262 0.000 3.060 279 T HA 0.175 4.530 4.350 0.007 0.000 0.249 279 T C 1.823 176.618 174.700 0.160 0.000 1.079 279 T CA 0.104 62.136 62.100 -0.114 0.000 1.013 279 T CB -0.249 68.410 68.868 -0.348 0.000 0.975 279 T HN 0.361 nan 8.240 nan 0.000 0.518 280 I N 2.067 122.689 120.570 0.087 0.000 2.248 280 I HA -0.087 4.087 4.170 0.007 0.000 0.248 280 I C -0.682 175.355 176.117 -0.133 0.000 1.107 280 I CA 1.182 62.475 61.300 -0.011 0.000 1.373 280 I CB -1.010 36.965 38.000 -0.043 0.000 1.055 280 I HN 0.211 nan 8.210 nan 0.000 0.418 281 P HA -0.173 nan 4.420 nan 0.000 0.219 281 P C 1.310 178.370 177.300 -0.401 0.000 1.146 281 P CA 1.523 64.371 63.100 -0.420 0.000 0.808 281 P CB -0.104 31.159 31.700 -0.728 0.000 0.779 282 W N -1.469 119.754 121.300 -0.129 0.000 2.574 282 W HA 0.049 4.713 4.660 0.007 0.000 0.282 282 W C 1.968 178.415 176.519 -0.120 0.000 1.197 282 W CA 0.261 57.533 57.345 -0.121 0.000 1.376 282 W CB -0.968 28.418 29.460 -0.124 0.000 1.091 282 W HN -0.268 nan 8.180 nan 0.000 0.569 283 V N 2.210 122.208 119.914 0.139 0.000 2.332 283 V HA -0.340 3.784 4.120 0.007 0.000 0.248 283 V C 2.472 178.573 176.094 0.012 0.000 1.055 283 V CA 2.574 64.912 62.300 0.064 0.000 1.038 283 V CB -0.959 30.913 31.823 0.081 0.000 0.651 283 V HN 0.205 nan 8.190 nan 0.000 0.450 284 K N -0.077 120.290 120.400 -0.054 0.000 2.211 284 K HA -0.155 4.170 4.320 0.007 0.000 0.203 284 K C 2.018 178.591 176.600 -0.046 0.000 1.050 284 K CA 1.273 57.523 56.287 -0.062 0.000 0.945 284 K CB -0.436 31.908 32.500 -0.261 0.000 0.732 284 K HN 0.266 nan 8.250 nan 0.000 0.451 285 L N 1.739 122.922 121.223 -0.066 0.000 2.129 285 L HA -0.142 4.202 4.340 0.007 0.000 0.212 285 L C 2.297 179.129 176.870 -0.064 0.000 1.087 285 L CA 1.076 55.879 54.840 -0.062 0.000 0.757 285 L CB -0.514 41.512 42.059 -0.055 0.000 0.896 285 L HN 0.072 nan 8.230 nan 0.000 0.434 286 V N -1.111 118.761 119.914 -0.071 0.000 2.407 286 V HA -0.203 3.922 4.120 0.007 0.000 0.245 286 V C 2.459 178.477 176.094 -0.127 0.000 1.041 286 V CA 1.393 63.608 62.300 -0.140 0.000 1.040 286 V CB -0.428 31.301 31.823 -0.157 0.000 0.671 286 V HN 0.333 nan 8.190 nan 0.000 0.455 287 K N 0.147 120.516 120.400 -0.051 0.000 2.280 287 K HA -0.175 4.150 4.320 0.007 0.000 0.202 287 K C 2.152 178.740 176.600 -0.020 0.000 1.047 287 K CA 1.240 57.517 56.287 -0.017 0.000 0.942 287 K CB -0.245 32.275 32.500 0.033 0.000 0.739 287 K HN 0.473 nan 8.250 nan 0.000 0.457 288 Q N -0.585 119.199 119.800 -0.025 0.000 2.152 288 Q HA -0.154 4.191 4.340 0.007 0.000 0.206 288 Q C 1.680 177.656 176.000 -0.039 0.000 0.985 288 Q CA 1.969 57.757 55.803 -0.025 0.000 0.863 288 Q CB 0.129 28.848 28.738 -0.031 0.000 0.904 288 Q HN 0.417 nan 8.270 nan 0.000 0.422 289 V N -4.761 115.111 119.914 -0.070 0.000 3.612 289 V HA 0.251 4.375 4.120 0.007 0.000 0.268 289 V C 0.648 176.692 176.094 -0.084 0.000 1.365 289 V CA -0.221 62.033 62.300 -0.077 0.000 1.044 289 V CB 1.068 32.832 31.823 -0.097 0.000 0.820 289 V HN -0.012 nan 8.190 nan 0.000 0.444 290 S N 0.537 116.176 115.700 -0.102 0.000 2.610 290 S HA 0.514 4.989 4.470 0.007 0.000 0.273 290 S C 0.498 175.110 174.600 0.019 0.000 1.274 290 S CA -0.339 57.830 58.200 -0.053 0.000 1.023 290 S CB 1.508 64.645 63.200 -0.104 0.000 0.962 290 S HN 0.414 nan 8.310 nan 0.000 0.523 291 K N 1.553 121.993 120.400 0.066 0.000 2.373 291 K HA 0.347 4.672 4.320 0.007 0.000 0.202 291 K C -0.329 176.316 176.600 0.075 0.000 1.025 291 K CA 0.159 56.478 56.287 0.053 0.000 1.115 291 K CB 0.440 32.962 32.500 0.037 0.000 0.858 291 K HN 0.307 nan 8.250 nan 0.000 0.525 292 K N 0.246 120.729 120.400 0.138 0.000 2.295 292 K HA 0.450 4.774 4.320 0.007 0.000 0.239 292 K C -2.767 173.920 176.600 0.146 0.000 0.991 292 K CA -2.615 53.755 56.287 0.139 0.000 0.845 292 K CB 0.753 33.358 32.500 0.175 0.000 1.197 292 K HN -0.299 nan 8.250 nan 0.000 0.441 293 P HA -0.023 nan 4.420 nan 0.000 0.264 293 P C -0.492 176.879 177.300 0.118 0.000 1.193 293 P CA -0.179 62.960 63.100 0.065 0.000 0.763 293 P CB 0.499 32.208 31.700 0.013 0.000 0.810 294 V N 4.506 124.484 119.914 0.106 0.000 2.769 294 V HA 0.821 4.945 4.120 0.007 0.000 0.312 294 V C -0.968 175.170 176.094 0.073 0.000 1.061 294 V CA -0.977 61.409 62.300 0.142 0.000 0.931 294 V CB 1.593 33.503 31.823 0.145 0.000 1.010 294 V HN 0.378 nan 8.190 nan 0.000 0.433 295 L N 2.923 124.197 121.223 0.084 0.000 2.350 295 L HA 1.160 5.504 4.340 0.007 0.000 0.260 295 L C -0.153 176.795 176.870 0.130 0.000 1.015 295 L CA -0.314 54.566 54.840 0.066 0.000 0.821 295 L CB 1.990 44.043 42.059 -0.011 0.000 1.370 295 L HN 1.092 nan 8.230 nan 0.000 0.416 296 G N 1.040 109.934 108.800 0.156 0.000 2.608 296 G HA2 0.556 4.521 3.960 0.007 0.000 0.285 296 G HA3 0.556 4.521 3.960 0.007 0.000 0.285 296 G C -0.620 174.427 174.900 0.245 0.000 1.407 296 G CA -0.157 45.048 45.100 0.174 0.000 1.276 296 G HN 1.128 nan 8.290 nan 0.000 0.587 297 V N 0.913 120.948 119.914 0.201 0.000 3.178 297 V HA 0.742 4.867 4.120 0.007 0.000 0.306 297 V C 0.982 177.082 176.094 0.011 0.000 1.107 297 V CA 0.716 63.127 62.300 0.186 0.000 1.195 297 V CB 1.543 33.446 31.823 0.134 0.000 0.993 297 V HN 1.676 nan 8.190 nan 0.000 0.493 298 G N 2.113 110.753 108.800 -0.267 0.000 5.540 298 G HA2 0.204 4.169 3.960 0.007 0.000 0.197 298 G HA3 0.204 4.169 3.960 0.007 0.000 0.197 298 G C 0.225 174.753 174.900 -0.619 0.000 0.747 298 G CA -0.166 44.571 45.100 -0.605 0.000 0.706 298 G HN 1.059 nan 8.290 nan 0.000 0.292 299 R N -0.177 120.178 120.500 -0.242 0.000 3.092 299 R HA -0.211 4.133 4.340 0.007 0.000 0.245 299 R C -0.953 175.287 176.300 -0.100 0.000 0.881 299 R CA 0.412 56.465 56.100 -0.079 0.000 0.614 299 R CB -1.365 28.959 30.300 0.040 0.000 1.128 299 R HN 0.389 nan 8.270 nan 0.000 0.483 300 Y N -0.013 120.395 120.300 0.181 0.000 2.404 300 Y HA 0.127 4.682 4.550 0.007 0.000 0.344 300 Y C 1.688 177.701 175.900 0.188 0.000 0.995 300 Y CA 0.338 58.540 58.100 0.169 0.000 1.201 300 Y CB 1.589 40.139 38.460 0.149 0.000 1.151 300 Y HN 0.268 nan 8.280 nan 0.000 0.517 301 T N -2.852 111.879 114.554 0.294 0.000 2.986 301 T HA 0.113 4.467 4.350 0.007 0.000 0.264 301 T C -0.228 174.580 174.700 0.180 0.000 0.964 301 T CA -0.223 62.013 62.100 0.226 0.000 0.895 301 T CB 0.250 69.210 68.868 0.153 0.000 1.163 301 T HN 0.373 nan 8.240 nan 0.000 0.517 302 D N 2.668 123.175 120.400 0.179 0.000 2.381 302 D HA 0.374 5.019 4.640 0.007 0.000 0.235 302 D C -1.746 174.592 176.300 0.063 0.000 1.068 302 D CA -2.688 51.374 54.000 0.105 0.000 0.832 302 D CB 2.323 43.182 40.800 0.098 0.000 1.101 302 D HN -0.119 nan 8.370 nan 0.000 0.515 303 P HA -0.115 nan 4.420 nan 0.000 0.222 303 P C 0.770 177.971 177.300 -0.165 0.000 1.147 303 P CA 0.730 63.726 63.100 -0.174 0.000 0.790 303 P CB 0.604 32.026 31.700 -0.462 0.000 0.780 304 E N 0.214 120.381 120.200 -0.055 0.000 2.107 304 E HA -0.120 4.234 4.350 0.007 0.000 0.191 304 E C 1.971 178.585 176.600 0.024 0.000 0.982 304 E CA 0.874 57.291 56.400 0.029 0.000 0.809 304 E CB -0.384 29.343 29.700 0.045 0.000 0.756 304 E HN 0.180 nan 8.360 nan 0.000 0.459 305 K N 0.625 121.051 120.400 0.043 0.000 2.057 305 K HA 0.024 4.349 4.320 0.007 0.000 0.206 305 K C 2.199 178.766 176.600 -0.055 0.000 1.050 305 K CA 0.815 57.144 56.287 0.070 0.000 0.935 305 K CB -0.316 32.306 32.500 0.203 0.000 0.715 305 K HN 0.160 nan 8.250 nan 0.000 0.439 306 M N 0.537 120.073 119.600 -0.107 0.000 2.080 306 M HA -0.190 4.294 4.480 0.007 0.000 0.260 306 M C 2.188 178.366 176.300 -0.204 0.000 1.068 306 M CA 1.720 56.873 55.300 -0.245 0.000 1.109 306 M CB -0.584 31.891 32.600 -0.209 0.000 1.342 306 M HN 0.142 nan 8.290 nan 0.000 0.405 307 I N -2.063 118.438 120.570 -0.114 0.000 2.546 307 I HA -0.136 4.039 4.170 0.007 0.000 0.255 307 I C 2.186 178.251 176.117 -0.087 0.000 1.163 307 I CA 1.395 62.651 61.300 -0.074 0.000 1.457 307 I CB -0.667 37.353 38.000 0.032 0.000 1.092 307 I HN 0.329 nan 8.210 nan 0.000 0.434 308 E N 2.322 122.478 120.200 -0.074 0.000 2.077 308 E HA -0.233 4.121 4.350 0.007 0.000 0.193 308 E C 2.323 178.817 176.600 -0.176 0.000 0.989 308 E CA 2.164 58.512 56.400 -0.086 0.000 0.800 308 E CB -0.216 29.475 29.700 -0.014 0.000 0.746 308 E HN 0.832 nan 8.360 nan 0.000 0.452 309 I N -2.053 118.426 120.570 -0.152 0.000 2.500 309 I HA -0.097 4.078 4.170 0.007 0.000 0.252 309 I C 2.058 178.052 176.117 -0.205 0.000 1.142 309 I CA 0.464 61.676 61.300 -0.146 0.000 1.451 309 I CB -0.124 37.849 38.000 -0.045 0.000 1.093 309 I HN -0.090 nan 8.210 nan 0.000 0.430 310 V N 2.463 122.264 119.914 -0.187 0.000 2.270 310 V HA -0.232 3.893 4.120 0.007 0.000 0.245 310 V C 2.984 178.982 176.094 -0.161 0.000 1.043 310 V CA 2.692 64.898 62.300 -0.157 0.000 1.014 310 V CB -1.152 30.581 31.823 -0.150 0.000 0.645 310 V HN 0.714 nan 8.190 nan 0.000 0.447 311 T N -2.132 112.325 114.554 -0.163 0.000 2.951 311 T HA -0.140 4.214 4.350 0.007 0.000 0.268 311 T C 1.641 176.218 174.700 -0.207 0.000 1.073 311 T CA 0.988 63.002 62.100 -0.144 0.000 1.134 311 T CB -0.289 68.518 68.868 -0.102 0.000 0.884 311 T HN 0.392 nan 8.240 nan 0.000 0.479 312 K N 0.928 121.115 120.400 -0.356 0.000 2.487 312 K HA 0.286 4.610 4.320 0.007 0.000 0.192 312 K C 1.313 177.585 176.600 -0.547 0.000 1.027 312 K CA 0.305 56.267 56.287 -0.542 0.000 1.054 312 K CB -0.184 31.751 32.500 -0.942 0.000 0.824 312 K HN 0.560 nan 8.250 nan 0.000 0.510 313 G N 1.116 109.720 108.800 -0.326 0.000 2.198 313 G HA2 -0.260 3.705 3.960 0.007 0.000 0.257 313 G HA3 -0.260 3.705 3.960 0.007 0.000 0.257 313 G C 0.251 175.174 174.900 0.039 0.000 1.042 313 G CA 0.148 45.176 45.100 -0.121 0.000 0.791 313 G HN 0.253 nan 8.290 nan 0.000 0.502 314 Y N -0.625 119.657 120.300 -0.030 0.000 2.347 314 Y HA 0.573 5.127 4.550 0.008 0.000 0.294 314 Y C 1.739 177.626 175.900 -0.020 0.000 1.117 314 Y CA 0.363 58.451 58.100 -0.020 0.000 1.184 314 Y CB -0.121 38.331 38.460 -0.012 0.000 1.047 314 Y HN 0.893 nan 8.280 nan 0.000 0.546 315 A N -0.844 122.034 122.820 0.096 0.000 2.609 315 A HA 0.545 4.869 4.320 0.007 0.000 0.291 315 A C -0.258 177.312 177.584 -0.023 0.000 1.096 315 A CA -0.423 51.636 52.037 0.036 0.000 0.684 315 A CB 0.723 19.736 19.000 0.021 0.000 1.282 315 A HN 0.073 nan 8.150 nan 0.000 0.412 316 D N -0.360 120.024 120.400 -0.026 0.000 2.422 316 D HA 0.240 4.885 4.640 0.007 0.000 0.218 316 D C 0.064 176.314 176.300 -0.083 0.000 1.047 316 D CA 1.038 55.009 54.000 -0.049 0.000 0.885 316 D CB 0.691 41.477 40.800 -0.024 0.000 1.035 316 D HN 0.478 nan 8.370 nan 0.000 0.502 317 I N 1.409 121.931 120.570 -0.081 0.000 2.689 317 I HA 0.210 4.384 4.170 0.007 0.000 0.299 317 I C -0.692 175.368 176.117 -0.094 0.000 1.059 317 I CA -0.963 60.278 61.300 -0.099 0.000 1.055 317 I CB 2.970 40.912 38.000 -0.096 0.000 1.243 317 I HN -0.298 nan 8.210 nan 0.000 0.425 318 I N 3.809 124.302 120.570 -0.128 0.000 2.291 318 I HA 0.290 4.464 4.170 0.007 0.000 0.290 318 I C 0.737 176.973 176.117 0.198 0.000 1.050 318 I CA -0.158 61.097 61.300 -0.075 0.000 1.245 318 I CB 0.187 38.011 38.000 -0.294 0.000 1.405 318 I HN 0.590 nan 8.210 nan 0.000 0.478 319 G N 5.583 114.545 108.800 0.269 0.000 2.372 319 G HA2 0.470 4.435 3.960 0.007 0.000 0.283 319 G HA3 0.470 4.435 3.960 0.007 0.000 0.283 319 G C -0.777 174.360 174.900 0.396 0.000 1.177 319 G CA -0.085 45.247 45.100 0.387 0.000 0.842 319 G HN 0.665 nan 8.290 nan 0.000 0.503 320 C N 0.999 120.513 119.300 0.356 0.000 2.783 320 C HA 0.760 5.224 4.460 0.007 0.000 0.312 320 C C 1.041 176.052 174.990 0.036 0.000 1.182 320 C CA 0.179 59.340 59.018 0.239 0.000 1.432 320 C CB 1.403 29.373 27.740 0.383 0.000 1.933 320 C HN 1.003 nan 8.230 nan 0.000 0.473 321 A N 2.174 124.977 122.820 -0.028 0.000 2.083 321 A HA 0.250 4.574 4.320 0.007 0.000 0.209 321 A C 1.942 179.326 177.584 -0.334 0.000 1.969 321 A CA -0.029 51.864 52.037 -0.241 0.000 0.933 321 A CB -0.309 18.561 19.000 -0.216 0.000 1.304 321 A HN 0.805 nan 8.150 nan 0.000 0.621 322 R N 0.230 120.616 120.500 -0.189 0.000 2.081 322 R HA -0.078 4.266 4.340 0.007 0.000 0.235 322 R C -0.860 175.423 176.300 -0.029 0.000 1.131 322 R CA 1.740 57.766 56.100 -0.122 0.000 0.960 322 R CB -1.472 28.799 30.300 -0.048 0.000 0.856 322 R HN 0.351 nan 8.270 nan 0.000 0.436 323 P HA -0.163 nan 4.420 nan 0.000 0.219 323 P C 1.299 178.707 177.300 0.179 0.000 1.146 323 P CA 1.707 64.900 63.100 0.154 0.000 0.808 323 P CB 0.011 31.872 31.700 0.268 0.000 0.779 324 S N -1.892 113.824 115.700 0.026 0.000 2.470 324 S HA 0.001 4.475 4.470 0.007 0.000 0.225 324 S C 1.853 176.437 174.600 -0.027 0.000 1.006 324 S CA 0.412 58.546 58.200 -0.110 0.000 0.934 324 S CB -1.217 61.503 63.200 -0.799 0.000 0.778 324 S HN 0.037 nan 8.310 nan 0.000 0.517 325 I N 1.983 122.549 120.570 -0.007 0.000 2.277 325 I HA 0.005 4.179 4.170 0.007 0.000 0.243 325 I C 3.079 179.253 176.117 0.094 0.000 1.094 325 I CA 1.032 62.392 61.300 0.099 0.000 1.393 325 I CB -0.592 37.423 38.000 0.024 0.000 1.078 325 I HN 0.418 nan 8.210 nan 0.000 0.417 326 A N -0.664 122.189 122.820 0.055 0.000 1.902 326 A HA -0.188 4.137 4.320 0.007 0.000 0.217 326 A C 1.036 178.644 177.584 0.040 0.000 1.181 326 A CA 1.629 53.685 52.037 0.033 0.000 0.623 326 A CB -0.171 18.840 19.000 0.019 0.000 0.818 326 A HN 0.385 nan 8.150 nan 0.000 0.443 327 D N -2.439 118.027 120.400 0.110 0.000 2.346 327 D HA 0.373 5.017 4.640 0.007 0.000 0.255 327 D C -2.452 174.027 176.300 0.300 0.000 1.276 327 D CA -1.800 52.296 54.000 0.159 0.000 0.941 327 D CB 1.368 42.250 40.800 0.137 0.000 1.199 327 D HN -0.107 nan 8.370 nan 0.000 0.537 328 P HA -0.002 nan 4.420 nan 0.000 0.223 328 P C 0.539 178.160 177.300 0.535 0.000 1.144 328 P CA 0.747 64.082 63.100 0.392 0.000 0.783 328 P CB 0.060 31.907 31.700 0.245 0.000 0.771 329 F N -1.902 118.134 119.950 0.144 0.000 2.668 329 F HA 0.167 4.698 4.527 0.007 0.000 0.301 329 F C 1.787 177.547 175.800 -0.067 0.000 1.106 329 F CA -0.554 57.464 58.000 0.031 0.000 1.289 329 F CB -0.587 38.429 39.000 0.027 0.000 1.006 329 F HN -0.186 nan 8.300 nan 0.000 0.535 330 L N 2.011 123.293 121.223 0.098 0.000 2.021 330 L HA -0.177 4.167 4.340 0.007 0.000 0.215 330 L C -0.678 175.942 176.870 -0.415 0.000 1.074 330 L CA 2.680 57.481 54.840 -0.064 0.000 0.760 330 L CB -1.582 40.527 42.059 0.083 0.000 0.889 330 L HN 0.046 nan 8.230 nan 0.000 0.433 331 P HA -0.165 nan 4.420 nan 0.000 0.217 331 P C 1.631 178.646 177.300 -0.476 0.000 1.151 331 P CA 1.173 63.559 63.100 -1.189 0.000 0.828 331 P CB -0.086 30.715 31.700 -1.500 0.000 0.788 332 Q N 0.329 119.925 119.800 -0.339 0.000 2.124 332 Q HA -0.180 4.165 4.340 0.007 0.000 0.202 332 Q C 1.870 177.801 176.000 -0.116 0.000 0.977 332 Q CA 1.585 57.282 55.803 -0.176 0.000 0.850 332 Q CB -0.202 28.479 28.738 -0.094 0.000 0.901 332 Q HN 0.171 nan 8.270 nan 0.000 0.429 333 K N -0.544 119.810 120.400 -0.077 0.000 2.057 333 K HA -0.103 4.221 4.320 0.007 0.000 0.206 333 K C 2.051 178.536 176.600 -0.192 0.000 1.050 333 K CA 1.376 57.614 56.287 -0.083 0.000 0.935 333 K CB 0.021 32.518 32.500 -0.005 0.000 0.715 333 K HN 0.057 nan 8.250 nan 0.000 0.439 334 V N 1.678 121.518 119.914 -0.123 0.000 2.295 334 V HA -0.260 3.864 4.120 0.007 0.000 0.246 334 V C 2.339 178.431 176.094 -0.004 0.000 1.049 334 V CA 1.923 64.219 62.300 -0.007 0.000 1.024 334 V CB -0.417 31.533 31.823 0.212 0.000 0.648 334 V HN 0.396 nan 8.190 nan 0.000 0.447 335 E N 0.032 120.181 120.200 -0.086 0.000 2.058 335 E HA -0.288 4.066 4.350 0.007 0.000 0.194 335 E C 2.142 178.544 176.600 -0.331 0.000 0.997 335 E CA 1.643 57.728 56.400 -0.525 0.000 0.801 335 E CB -0.084 29.189 29.700 -0.712 0.000 0.746 335 E HN 0.678 nan 8.360 nan 0.000 0.450 336 Q N -1.227 118.424 119.800 -0.248 0.000 2.444 336 Q HA 0.096 4.440 4.340 0.007 0.000 0.206 336 Q C 0.901 176.766 176.000 -0.225 0.000 0.948 336 Q CA 0.406 56.093 55.803 -0.194 0.000 0.946 336 Q CB 0.799 29.457 28.738 -0.134 0.000 1.027 336 Q HN 0.518 nan 8.270 nan 0.000 0.513 337 G N 1.774 110.344 108.800 -0.385 0.000 2.148 337 G HA2 -0.320 3.644 3.960 0.007 0.000 0.254 337 G HA3 -0.320 3.644 3.960 0.007 0.000 0.254 337 G C 0.159 174.688 174.900 -0.619 0.000 0.981 337 G CA -0.132 44.593 45.100 -0.625 0.000 0.670 337 G HN 0.296 nan 8.290 nan 0.000 0.528 338 R N 0.202 120.446 120.500 -0.426 0.000 4.680 338 R HA 0.341 4.685 4.340 0.007 0.000 0.222 338 R C 0.963 177.188 176.300 -0.125 0.000 1.803 338 R CA -0.393 55.590 56.100 -0.194 0.000 1.560 338 R CB -0.308 29.941 30.300 -0.086 0.000 1.412 338 R HN 0.492 nan 8.270 nan 0.000 0.815 339 Y N 0.683 121.026 120.300 0.071 0.000 2.333 339 Y HA -0.208 4.347 4.550 0.007 0.000 0.290 339 Y C 2.048 177.990 175.900 0.070 0.000 1.144 339 Y CA 1.105 59.250 58.100 0.075 0.000 1.228 339 Y CB -0.095 38.419 38.460 0.089 0.000 0.985 339 Y HN 0.387 nan 8.280 nan 0.000 0.542 340 D N -1.292 119.223 120.400 0.190 0.000 2.340 340 D HA -0.086 4.558 4.640 0.007 0.000 0.220 340 D C 0.500 176.876 176.300 0.128 0.000 1.039 340 D CA 0.565 54.647 54.000 0.137 0.000 0.866 340 D CB -0.206 40.651 40.800 0.095 0.000 0.913 340 D HN 0.280 nan 8.370 nan 0.000 0.523 341 D N 0.411 120.890 120.400 0.133 0.000 2.349 341 D HA 0.157 4.802 4.640 0.007 0.000 0.214 341 D C 0.633 177.083 176.300 0.250 0.000 1.063 341 D CA -0.195 53.911 54.000 0.177 0.000 0.847 341 D CB 0.743 41.609 40.800 0.110 0.000 0.933 341 D HN 0.333 nan 8.370 nan 0.000 0.513 342 I N 1.661 122.347 120.570 0.194 0.000 2.494 342 I HA 0.008 4.182 4.170 0.007 0.000 0.289 342 I C 0.896 177.071 176.117 0.096 0.000 1.106 342 I CA -0.087 61.299 61.300 0.143 0.000 1.369 342 I CB 0.389 38.469 38.000 0.133 0.000 1.410 342 I HN -0.415 nan 8.210 nan 0.000 0.523 343 R N 6.114 126.572 120.500 -0.069 0.000 2.272 343 R HA 0.288 4.632 4.340 0.007 0.000 0.334 343 R C -0.953 175.255 176.300 -0.153 0.000 1.117 343 R CA -0.348 55.510 56.100 -0.404 0.000 0.966 343 R CB 0.336 30.265 30.300 -0.618 0.000 1.049 343 R HN 0.427 nan 8.270 nan 0.000 0.477 344 V N 5.467 125.329 119.914 -0.087 0.000 2.488 344 V HA 0.011 4.136 4.120 0.007 0.000 0.277 344 V C 0.662 176.800 176.094 0.075 0.000 1.046 344 V CA -0.880 61.416 62.300 -0.006 0.000 0.986 344 V CB 0.966 32.712 31.823 -0.128 0.000 0.989 344 V HN 0.871 nan 8.190 nan 0.000 0.475 345 C N 7.100 126.455 119.300 0.092 0.000 2.590 345 C HA 0.124 4.589 4.460 0.007 0.000 0.411 345 C C 1.785 176.877 174.990 0.169 0.000 1.420 345 C CA -0.073 59.001 59.018 0.093 0.000 1.643 345 C CB -1.414 26.375 27.740 0.081 0.000 2.528 345 C HN 0.921 nan 8.230 nan 0.000 0.606 346 I N 4.000 124.623 120.570 0.088 0.000 3.812 346 I HA 0.313 4.488 4.170 0.007 0.000 0.320 346 I C 1.459 177.569 176.117 -0.012 0.000 1.276 346 I CA 0.554 61.880 61.300 0.043 0.000 1.164 346 I CB -0.899 37.019 38.000 -0.137 0.000 1.009 346 I HN 0.929 nan 8.210 nan 0.000 0.431 347 G N 2.187 110.995 108.800 0.014 0.000 2.225 347 G HA2 -0.363 3.601 3.960 0.007 0.000 0.267 347 G HA3 -0.363 3.601 3.960 0.007 0.000 0.267 347 G C 0.874 175.800 174.900 0.044 0.000 1.024 347 G CA 0.510 45.634 45.100 0.040 0.000 0.784 347 G HN 0.848 nan 8.290 nan 0.000 0.507 348 C N -2.172 117.061 119.300 -0.111 0.000 2.495 348 C HA 0.282 4.746 4.460 0.007 0.000 0.275 348 C C 1.664 176.677 174.990 0.038 0.000 1.392 348 C CA 0.460 59.397 59.018 -0.136 0.000 1.766 348 C CB -0.567 26.763 27.740 -0.683 0.000 1.933 348 C HN 0.789 nan 8.230 nan 0.000 0.519 349 N N -0.078 118.625 118.700 0.005 0.000 2.741 349 N HA -0.143 4.601 4.740 0.007 0.000 0.251 349 N C 0.537 176.085 175.510 0.063 0.000 1.112 349 N CA 1.011 54.073 53.050 0.020 0.000 0.750 349 N CB -1.812 36.682 38.487 0.013 0.000 1.119 349 N HN 0.538 nan 8.380 nan 0.000 0.561 350 V N -0.311 119.647 119.914 0.073 0.000 2.626 350 V HA -0.261 3.863 4.120 0.007 0.000 0.252 350 V C 2.478 178.629 176.094 0.095 0.000 1.067 350 V CA 1.811 64.189 62.300 0.130 0.000 1.081 350 V CB -0.713 31.180 31.823 0.118 0.000 0.686 350 V HN 0.775 nan 8.190 nan 0.000 0.468 351 C N -0.248 119.084 119.300 0.054 0.000 2.432 351 C HA -0.122 4.342 4.460 0.007 0.000 0.277 351 C C 2.411 177.461 174.990 0.099 0.000 1.249 351 C CA 0.493 59.543 59.018 0.055 0.000 1.725 351 C CB -1.409 26.341 27.740 0.017 0.000 2.028 351 C HN 0.494 nan 8.230 nan 0.000 0.477 352 I N 3.176 123.803 120.570 0.096 0.000 2.208 352 I HA -0.225 3.949 4.170 0.007 0.000 0.245 352 I C 3.015 179.273 176.117 0.235 0.000 1.097 352 I CA 2.243 63.651 61.300 0.180 0.000 1.363 352 I CB -0.514 37.498 38.000 0.020 0.000 1.051 352 I HN 0.614 nan 8.210 nan 0.000 0.413 353 S N 0.959 116.735 115.700 0.127 0.000 2.383 353 S HA -0.192 4.282 4.470 0.007 0.000 0.229 353 S C 2.191 176.778 174.600 -0.021 0.000 1.030 353 S CA 0.775 59.007 58.200 0.053 0.000 1.002 353 S CB -0.345 62.819 63.200 -0.059 0.000 0.829 353 S HN 0.314 nan 8.310 nan 0.000 0.467 354 R N 0.031 120.560 120.500 0.048 0.000 2.081 354 R HA -0.032 4.313 4.340 0.007 0.000 0.235 354 R C 1.890 178.209 176.300 0.031 0.000 1.131 354 R CA 1.392 57.498 56.100 0.011 0.000 0.960 354 R CB -1.200 29.129 30.300 0.049 0.000 0.856 354 R HN 0.731 nan 8.270 nan 0.000 0.436 355 W N 2.571 123.851 121.300 -0.033 0.000 2.355 355 W HA -0.136 4.528 4.660 0.006 0.000 0.309 355 W C 1.890 178.391 176.519 -0.031 0.000 1.206 355 W CA 1.198 58.528 57.345 -0.025 0.000 1.284 355 W CB -0.057 29.416 29.460 0.023 0.000 1.145 355 W HN 0.032 nan 8.180 nan 0.000 0.502 356 E N 0.402 120.624 120.200 0.038 0.000 2.077 356 E HA -0.226 4.128 4.350 0.007 0.000 0.193 356 E C 2.160 178.609 176.600 -0.251 0.000 0.989 356 E CA 1.868 58.213 56.400 -0.092 0.000 0.800 356 E CB -0.712 29.185 29.700 0.329 0.000 0.746 356 E HN 0.444 nan 8.360 nan 0.000 0.452 357 I N 0.282 120.611 120.570 -0.401 0.000 2.335 357 I HA -0.175 3.999 4.170 0.007 0.000 0.251 357 I C 0.961 176.890 176.117 -0.313 0.000 1.129 357 I CA 0.979 61.957 61.300 -0.537 0.000 1.402 357 I CB -0.311 37.322 38.000 -0.613 0.000 1.069 357 I HN 0.130 nan 8.210 nan 0.000 0.424 358 G N 0.225 108.761 108.800 -0.439 0.000 3.269 358 G HA2 0.165 4.130 3.960 0.007 0.000 0.668 358 G HA3 0.165 4.130 3.960 0.007 0.000 0.668 358 G C 0.352 175.077 174.900 -0.292 0.000 1.100 358 G CA -0.252 44.473 45.100 -0.626 0.000 0.940 358 G HN 0.766 nan 8.290 nan 0.000 0.438 359 G N 2.545 111.211 108.800 -0.223 0.000 2.981 359 G HA2 0.024 3.988 3.960 0.007 0.000 0.199 359 G HA3 0.024 3.988 3.960 0.007 0.000 0.199 359 G C -1.420 173.449 174.900 -0.052 0.000 1.586 359 G CA 0.637 45.676 45.100 -0.101 0.000 1.162 359 G HN 1.429 nan 8.290 nan 0.000 0.538 360 P HA 0.407 nan 4.420 nan 0.000 0.272 360 P C -2.363 174.950 177.300 0.021 0.000 1.223 360 P CA -1.061 62.022 63.100 -0.028 0.000 0.784 360 P CB 0.345 32.015 31.700 -0.050 0.000 0.923 361 P HA 0.060 nan 4.420 nan 0.000 0.269 361 P C -0.050 177.297 177.300 0.078 0.000 1.215 361 P CA -0.185 62.985 63.100 0.117 0.000 0.780 361 P CB 0.339 32.057 31.700 0.031 0.000 0.898 362 M N 3.225 122.917 119.600 0.153 0.000 2.252 362 M HA 0.353 4.837 4.480 0.007 0.000 0.333 362 M C -0.228 176.076 176.300 0.007 0.000 1.111 362 M CA 0.374 55.726 55.300 0.087 0.000 1.140 362 M CB -0.069 32.586 32.600 0.092 0.000 1.538 362 M HN 0.329 nan 8.290 nan 0.000 0.448 363 I N 1.199 121.768 120.570 -0.002 0.000 2.934 363 I HA 0.765 4.939 4.170 0.007 0.000 0.306 363 I C -1.615 174.506 176.117 0.008 0.000 1.110 363 I CA -0.954 60.328 61.300 -0.029 0.000 1.019 363 I CB 2.098 40.062 38.000 -0.061 0.000 1.227 363 I HN 0.929 nan 8.210 nan 0.000 0.434 364 C N 3.186 122.496 119.300 0.017 0.000 2.431 364 C HA 0.487 4.952 4.460 0.007 0.000 0.321 364 C C 1.464 176.477 174.990 0.039 0.000 1.202 364 C CA 0.064 59.096 59.018 0.024 0.000 1.398 364 C CB 1.282 29.041 27.740 0.032 0.000 2.047 364 C HN 1.008 nan 8.230 nan 0.000 0.465 365 T N 2.473 117.037 114.554 0.017 0.000 2.720 365 T HA -0.163 4.191 4.350 0.007 0.000 0.268 365 T C 1.744 176.532 174.700 0.146 0.000 1.037 365 T CA 1.638 63.761 62.100 0.039 0.000 1.144 365 T CB -0.074 68.742 68.868 -0.088 0.000 0.864 365 T HN 0.781 nan 8.240 nan 0.000 0.444 366 Q N 0.800 120.647 119.800 0.078 0.000 2.049 366 Q HA 0.072 4.417 4.340 0.007 0.000 0.198 366 Q C 1.121 177.112 176.000 -0.014 0.000 0.971 366 Q CA 0.826 56.636 55.803 0.011 0.000 0.833 366 Q CB -0.342 28.354 28.738 -0.070 0.000 0.896 366 Q HN 0.362 nan 8.270 nan 0.000 0.434 367 N N 0.193 118.896 118.700 0.006 0.000 2.609 367 N HA 0.244 4.988 4.740 0.007 0.000 0.234 367 N C -0.287 175.236 175.510 0.022 0.000 1.001 367 N CA 0.036 53.088 53.050 0.004 0.000 0.926 367 N CB 1.124 39.623 38.487 0.020 0.000 1.130 367 N HN 0.032 nan 8.380 nan 0.000 0.510 368 A N 2.140 124.948 122.820 -0.020 0.000 2.239 368 A HA -0.049 4.276 4.320 0.007 0.000 0.209 368 A C 1.682 179.293 177.584 0.045 0.000 1.171 368 A CA 1.385 53.435 52.037 0.021 0.000 0.768 368 A CB -0.556 18.426 19.000 -0.030 0.000 0.790 368 A HN 0.710 nan 8.150 nan 0.000 0.478 369 T N -3.059 111.483 114.554 -0.020 0.000 3.065 369 T HA 0.459 4.813 4.350 0.007 0.000 0.252 369 T C 0.886 175.647 174.700 0.102 0.000 1.099 369 T CA 0.459 62.642 62.100 0.137 0.000 1.063 369 T CB -0.401 68.534 68.868 0.111 0.000 0.948 369 T HN 0.593 nan 8.240 nan 0.000 0.506 370 A N 0.801 123.671 122.820 0.083 0.000 2.522 370 A HA 0.522 4.847 4.320 0.007 0.000 0.256 370 A C 1.736 179.292 177.584 -0.048 0.000 1.086 370 A CA 0.279 52.378 52.037 0.103 0.000 0.763 370 A CB -1.209 17.858 19.000 0.111 0.000 1.024 370 A HN 1.462 nan 8.150 nan 0.000 0.502 371 G N 1.856 110.564 108.800 -0.154 0.000 2.225 371 G HA2 -0.216 3.748 3.960 0.007 0.000 0.254 371 G HA3 -0.216 3.748 3.960 0.007 0.000 0.254 371 G C 0.459 174.968 174.900 -0.652 0.000 0.988 371 G CA 0.549 45.227 45.100 -0.704 0.000 0.625 371 G HN 0.725 nan 8.290 nan 0.000 0.527 372 E N 0.268 120.282 120.200 -0.309 0.000 2.498 372 E HA 0.201 4.556 4.350 0.007 0.000 0.203 372 E C 1.820 178.312 176.600 -0.180 0.000 1.013 372 E CA 0.669 56.881 56.400 -0.313 0.000 0.927 372 E CB 0.133 29.687 29.700 -0.245 0.000 1.012 372 E HN 0.641 nan 8.360 nan 0.000 0.482 373 E N 0.429 120.606 120.200 -0.038 0.000 2.058 373 E HA -0.195 4.160 4.350 0.007 0.000 0.194 373 E C 1.694 178.344 176.600 0.083 0.000 0.997 373 E CA 1.270 57.712 56.400 0.070 0.000 0.801 373 E CB -0.266 29.503 29.700 0.115 0.000 0.746 373 E HN 0.300 nan 8.360 nan 0.000 0.450 374 Y N 1.413 121.685 120.300 -0.046 0.000 2.201 374 Y HA -0.057 4.497 4.550 0.008 0.000 0.292 374 Y C 2.182 178.044 175.900 -0.064 0.000 1.119 374 Y CA 1.585 59.675 58.100 -0.017 0.000 1.127 374 Y CB 0.022 38.502 38.460 0.033 0.000 1.019 374 Y HN -0.129 nan 8.280 nan 0.000 0.514 375 R N 0.695 121.151 120.500 -0.073 0.000 2.096 375 R HA -0.072 4.272 4.340 0.007 0.000 0.235 375 R C 1.524 177.690 176.300 -0.223 0.000 1.127 375 R CA 1.922 57.934 56.100 -0.147 0.000 0.968 375 R CB -0.594 29.632 30.300 -0.124 0.000 0.861 375 R HN 0.301 nan 8.270 nan 0.000 0.440 376 R N -0.299 119.986 120.500 -0.357 0.000 2.476 376 R HA 0.301 4.645 4.340 0.007 0.000 0.276 376 R C 0.565 176.707 176.300 -0.264 0.000 0.941 376 R CA 0.390 56.229 56.100 -0.435 0.000 1.088 376 R CB 0.643 30.392 30.300 -0.919 0.000 1.216 376 R HN 0.382 nan 8.270 nan 0.000 0.533 377 G N 1.537 110.258 108.800 -0.131 0.000 2.176 377 G HA2 -0.209 3.755 3.960 0.007 0.000 0.252 377 G HA3 -0.209 3.755 3.960 0.007 0.000 0.252 377 G C -0.755 174.314 174.900 0.283 0.000 1.024 377 G CA -0.063 45.073 45.100 0.060 0.000 0.755 377 G HN 0.273 nan 8.290 nan 0.000 0.507 378 W N 1.445 122.763 121.300 0.030 0.000 2.357 378 W HA 0.504 5.169 4.660 0.007 0.000 0.317 378 W C 0.668 177.189 176.519 0.003 0.000 1.101 378 W CA -1.624 55.743 57.345 0.036 0.000 1.380 378 W CB -0.049 29.450 29.460 0.065 0.000 1.266 378 W HN 0.215 nan 8.180 nan 0.000 0.419 379 H N 6.404 125.517 119.070 0.072 0.000 2.610 379 H HA 0.080 4.641 4.556 0.007 0.000 0.336 379 H C -1.248 173.958 175.328 -0.202 0.000 1.087 379 H CA -1.290 54.722 56.048 -0.059 0.000 1.405 379 H CB 1.733 31.422 29.762 -0.121 0.000 1.460 379 H HN 0.112 nan 8.280 nan 0.000 0.538 380 P HA -0.083 nan 4.420 nan 0.000 0.221 380 P C 0.398 177.551 177.300 -0.244 0.000 1.150 380 P CA 1.063 64.047 63.100 -0.195 0.000 0.800 380 P CB 0.652 32.255 31.700 -0.163 0.000 0.787 381 E N -0.585 119.504 120.200 -0.186 0.000 2.583 381 E HA 0.196 4.550 4.350 0.007 0.000 0.213 381 E C 0.190 176.616 176.600 -0.290 0.000 0.989 381 E CA 0.100 56.342 56.400 -0.264 0.000 0.991 381 E CB 0.866 30.192 29.700 -0.624 0.000 1.040 381 E HN 0.362 nan 8.360 nan 0.000 0.481 382 K N 0.466 120.587 120.400 -0.465 0.000 2.443 382 K HA 0.503 4.828 4.320 0.007 0.000 0.252 382 K C -1.097 175.168 176.600 -0.559 0.000 0.933 382 K CA -0.484 55.552 56.287 -0.419 0.000 0.792 382 K CB 1.692 33.921 32.500 -0.450 0.000 1.185 382 K HN -0.207 nan 8.250 nan 0.000 0.425 383 F N 0.957 120.883 119.950 -0.040 0.000 2.556 383 F HA 0.402 4.933 4.527 0.007 0.000 0.314 383 F C 0.246 176.026 175.800 -0.033 0.000 1.106 383 F CA -1.021 56.954 58.000 -0.042 0.000 0.911 383 F CB 1.766 40.728 39.000 -0.063 0.000 1.190 383 F HN 0.313 nan 8.300 nan 0.000 0.448 384 R N 2.299 122.891 120.500 0.153 0.000 2.522 384 R HA 0.133 4.477 4.340 0.007 0.000 0.284 384 R C -0.553 175.795 176.300 0.080 0.000 1.032 384 R CA 0.044 56.199 56.100 0.092 0.000 1.049 384 R CB 0.367 30.716 30.300 0.082 0.000 0.956 384 R HN 0.469 nan 8.270 nan 0.000 0.422 385 Q N 2.210 122.028 119.800 0.029 0.000 2.243 385 Q HA 0.126 4.471 4.340 0.007 0.000 0.252 385 Q C -0.256 175.695 176.000 -0.081 0.000 0.909 385 Q CA -0.179 55.608 55.803 -0.027 0.000 0.922 385 Q CB 1.842 30.560 28.738 -0.034 0.000 1.215 385 Q HN 0.700 nan 8.270 nan 0.000 0.427 386 T N 1.096 115.524 114.554 -0.211 0.000 2.918 386 T HA 0.087 4.442 4.350 0.007 0.000 0.302 386 T C 0.646 175.221 174.700 -0.209 0.000 1.045 386 T CA 0.085 61.993 62.100 -0.321 0.000 1.114 386 T CB 0.316 68.638 68.868 -0.911 0.000 0.965 386 T HN 0.450 nan 8.240 nan 0.000 0.540 387 K N 2.726 123.043 120.400 -0.138 0.000 2.440 387 K HA 0.217 4.541 4.320 0.007 0.000 0.206 387 K C -0.042 176.510 176.600 -0.080 0.000 1.025 387 K CA -0.356 55.879 56.287 -0.087 0.000 1.135 387 K CB 0.049 32.523 32.500 -0.043 0.000 0.856 387 K HN 0.747 nan 8.250 nan 0.000 0.502 388 N N -1.903 116.724 118.700 -0.122 0.000 3.278 388 N HA 0.211 4.955 4.740 0.007 0.000 0.307 388 N C -0.663 174.784 175.510 -0.104 0.000 1.551 388 N CA -0.944 52.060 53.050 -0.076 0.000 0.794 388 N CB 0.754 39.227 38.487 -0.022 0.000 1.770 388 N HN -0.259 nan 8.380 nan 0.000 0.612 389 K N -1.114 119.263 120.400 -0.039 0.000 2.618 389 K HA 0.260 4.584 4.320 0.007 0.000 0.207 389 K C -1.099 175.526 176.600 0.042 0.000 1.058 389 K CA -0.397 55.878 56.287 -0.020 0.000 1.086 389 K CB 0.070 32.567 32.500 -0.005 0.000 0.827 389 K HN 0.469 nan 8.250 nan 0.000 0.481 390 D N 2.012 122.469 120.400 0.094 0.000 2.425 390 D HA -0.024 4.620 4.640 0.007 0.000 0.247 390 D C 0.164 176.602 176.300 0.230 0.000 1.147 390 D CA 0.449 54.559 54.000 0.184 0.000 0.879 390 D CB 0.924 41.887 40.800 0.272 0.000 1.179 390 D HN 0.149 nan 8.370 nan 0.000 0.456 391 S N 0.713 116.514 115.700 0.169 0.000 2.616 391 S HA 0.695 5.170 4.470 0.007 0.000 0.277 391 S C -0.339 174.348 174.600 0.146 0.000 1.234 391 S CA -0.851 57.459 58.200 0.183 0.000 1.028 391 S CB 1.435 64.766 63.200 0.218 0.000 0.988 391 S HN 0.153 nan 8.310 nan 0.000 0.522 392 V N 2.689 122.678 119.914 0.125 0.000 2.638 392 V HA 0.490 4.614 4.120 0.007 0.000 0.306 392 V C -0.734 175.389 176.094 0.048 0.000 1.052 392 V CA -0.826 61.499 62.300 0.042 0.000 0.885 392 V CB 1.460 33.255 31.823 -0.047 0.000 0.999 392 V HN 0.922 nan 8.190 nan 0.000 0.424 393 L N 6.358 127.561 121.223 -0.032 0.000 2.275 393 L HA 0.662 5.006 4.340 0.007 0.000 0.288 393 L C -0.632 176.162 176.870 -0.126 0.000 1.046 393 L CA 0.329 55.088 54.840 -0.134 0.000 0.805 393 L CB 0.839 42.684 42.059 -0.358 0.000 1.193 393 L HN 0.568 nan 8.230 nan 0.000 0.426 394 I N 6.231 126.740 120.570 -0.101 0.000 2.382 394 I HA 0.304 4.479 4.170 0.007 0.000 0.286 394 I C -0.529 175.539 176.117 -0.083 0.000 1.002 394 I CA -0.851 60.402 61.300 -0.078 0.000 1.135 394 I CB 1.850 39.817 38.000 -0.055 0.000 1.288 394 I HN 0.468 nan 8.210 nan 0.000 0.448 395 V N 5.754 125.622 119.914 -0.077 0.000 2.318 395 V HA 0.945 5.069 4.120 0.007 0.000 0.271 395 V C 0.066 176.146 176.094 -0.023 0.000 1.030 395 V CA 0.156 62.421 62.300 -0.059 0.000 0.844 395 V CB 0.339 32.120 31.823 -0.070 0.000 1.015 395 V HN 1.005 nan 8.190 nan 0.000 0.460 396 G N 4.292 113.085 108.800 -0.012 0.000 3.088 396 G HA2 0.484 4.449 3.960 0.007 0.000 0.620 396 G HA3 0.484 4.449 3.960 0.007 0.000 0.620 396 G C -0.285 174.623 174.900 0.012 0.000 1.375 396 G CA -0.247 44.858 45.100 0.008 0.000 1.016 396 G HN 1.991 nan 8.290 nan 0.000 0.590 397 A N 1.381 124.216 122.820 0.024 0.000 2.793 397 A HA 0.795 5.120 4.320 0.007 0.000 0.301 397 A C 1.275 178.889 177.584 0.050 0.000 1.172 397 A CA 1.027 53.081 52.037 0.028 0.000 0.973 397 A CB -0.110 18.902 19.000 0.020 0.000 1.164 397 A HN 2.021 nan 8.150 nan 0.000 0.542 398 G N -0.039 108.799 108.800 0.064 0.000 2.508 398 G HA2 0.427 4.391 3.960 0.007 0.000 0.278 398 G HA3 0.427 4.391 3.960 0.007 0.000 0.278 398 G C -1.250 173.715 174.900 0.108 0.000 1.389 398 G CA -1.073 44.078 45.100 0.086 0.000 1.050 398 G HN 0.081 nan 8.290 nan 0.000 0.522 399 P HA -0.195 nan 4.420 nan 0.000 0.216 399 P C 2.279 179.693 177.300 0.190 0.000 1.154 399 P CA 2.598 65.815 63.100 0.194 0.000 0.865 399 P CB 0.048 31.774 31.700 0.044 0.000 0.789 400 S N -1.457 114.318 115.700 0.126 0.000 2.336 400 S HA -0.013 4.461 4.470 0.007 0.000 0.216 400 S C 2.368 176.999 174.600 0.051 0.000 1.032 400 S CA 1.138 59.392 58.200 0.089 0.000 0.973 400 S CB -1.961 61.276 63.200 0.062 0.000 0.888 400 S HN 0.188 nan 8.310 nan 0.000 0.455 401 G N 2.149 110.973 108.800 0.040 0.000 2.440 401 G HA2 -0.224 3.740 3.960 0.007 0.000 0.218 401 G HA3 -0.224 3.740 3.960 0.007 0.000 0.218 401 G C 1.795 176.698 174.900 0.005 0.000 1.154 401 G CA 1.565 46.672 45.100 0.011 0.000 0.767 401 G HN 0.785 nan 8.290 nan 0.000 0.552 402 S N 0.425 116.144 115.700 0.032 0.000 2.428 402 S HA -0.030 4.444 4.470 0.007 0.000 0.230 402 S C 2.011 176.615 174.600 0.005 0.000 1.014 402 S CA 1.643 59.853 58.200 0.017 0.000 0.957 402 S CB -0.012 63.214 63.200 0.044 0.000 0.784 402 S HN 0.397 nan 8.310 nan 0.000 0.499 403 E N 2.337 122.561 120.200 0.040 0.000 2.076 403 E HA 0.172 4.526 4.350 0.007 0.000 0.190 403 E C 2.049 178.620 176.600 -0.048 0.000 0.979 403 E CA 1.190 57.614 56.400 0.039 0.000 0.807 403 E CB -0.802 28.969 29.700 0.120 0.000 0.761 403 E HN 0.535 nan 8.360 nan 0.000 0.454 404 A N 1.102 123.883 122.820 -0.065 0.000 1.877 404 A HA -0.071 4.254 4.320 0.007 0.000 0.216 404 A C 2.477 179.970 177.584 -0.151 0.000 1.186 404 A CA 2.180 54.138 52.037 -0.132 0.000 0.620 404 A CB -1.193 17.745 19.000 -0.103 0.000 0.822 404 A HN 0.391 nan 8.150 nan 0.000 0.443 405 A N -0.256 122.499 122.820 -0.109 0.000 1.873 405 A HA -0.250 4.075 4.320 0.007 0.000 0.218 405 A C 2.295 179.791 177.584 -0.148 0.000 1.193 405 A CA 2.044 54.013 52.037 -0.113 0.000 0.629 405 A CB -0.602 18.350 19.000 -0.081 0.000 0.826 405 A HN 0.563 nan 8.150 nan 0.000 0.447 406 R N -0.566 119.846 120.500 -0.146 0.000 2.081 406 R HA -0.103 4.241 4.340 0.007 0.000 0.235 406 R C 1.964 178.088 176.300 -0.293 0.000 1.131 406 R CA 1.880 57.868 56.100 -0.187 0.000 0.960 406 R CB -0.374 29.843 30.300 -0.138 0.000 0.856 406 R HN 0.345 nan 8.270 nan 0.000 0.436 407 V N 1.049 120.768 119.914 -0.325 0.000 2.379 407 V HA -0.205 3.919 4.120 0.007 0.000 0.245 407 V C 2.294 178.124 176.094 -0.441 0.000 1.044 407 V CA 1.023 63.016 62.300 -0.512 0.000 1.036 407 V CB -0.426 31.072 31.823 -0.543 0.000 0.664 407 V HN 0.255 nan 8.190 nan 0.000 0.453 408 L N -0.642 120.404 121.223 -0.295 0.000 2.012 408 L HA -0.178 4.166 4.340 0.007 0.000 0.210 408 L C 2.377 179.203 176.870 -0.074 0.000 1.073 408 L CA 2.089 56.819 54.840 -0.183 0.000 0.748 408 L CB -0.914 41.012 42.059 -0.223 0.000 0.891 408 L HN 0.274 nan 8.230 nan 0.000 0.431 409 M N -1.373 118.139 119.600 -0.147 0.000 2.108 409 M HA -0.203 4.282 4.480 0.007 0.000 0.261 409 M C 1.995 178.180 176.300 -0.190 0.000 1.066 409 M CA 1.406 56.626 55.300 -0.133 0.000 1.107 409 M CB -0.417 32.095 32.600 -0.147 0.000 1.356 409 M HN 0.196 nan 8.290 nan 0.000 0.406 410 E N -0.025 119.964 120.200 -0.351 0.000 2.204 410 E HA -0.098 4.257 4.350 0.007 0.000 0.195 410 E C 1.714 178.124 176.600 -0.317 0.000 0.990 410 E CA 1.047 57.163 56.400 -0.472 0.000 0.821 410 E CB -0.172 28.855 29.700 -1.122 0.000 0.750 410 E HN 0.393 nan 8.360 nan 0.000 0.477 411 S N -0.795 114.771 115.700 -0.223 0.000 2.631 411 S HA 0.196 4.670 4.470 0.007 0.000 0.217 411 S C 1.294 175.853 174.600 -0.069 0.000 0.958 411 S CA 0.538 58.713 58.200 -0.041 0.000 0.920 411 S CB 0.578 63.844 63.200 0.109 0.000 0.776 411 S HN 0.463 nan 8.310 nan 0.000 0.517 412 G N 0.467 109.213 108.800 -0.089 0.000 2.176 412 G HA2 -0.290 3.675 3.960 0.007 0.000 0.253 412 G HA3 -0.290 3.675 3.960 0.007 0.000 0.253 412 G C 0.021 174.820 174.900 -0.168 0.000 0.979 412 G CA -0.119 44.899 45.100 -0.137 0.000 0.641 412 G HN 0.503 nan 8.290 nan 0.000 0.530 413 Y N 0.855 121.104 120.300 -0.085 0.000 2.296 413 Y HA 0.487 5.041 4.550 0.007 0.000 0.343 413 Y C 1.474 177.333 175.900 -0.069 0.000 1.292 413 Y CA 0.778 58.840 58.100 -0.064 0.000 1.490 413 Y CB 0.622 39.045 38.460 -0.062 0.000 1.359 413 Y HN 0.021 nan 8.280 nan 0.000 0.599 414 T N 2.650 117.286 114.554 0.136 0.000 2.733 414 T HA 0.461 4.815 4.350 0.007 0.000 0.294 414 T C -0.852 173.869 174.700 0.034 0.000 0.956 414 T CA -0.606 61.518 62.100 0.040 0.000 0.987 414 T CB 0.027 68.926 68.868 0.051 0.000 0.920 414 T HN 0.523 nan 8.240 nan 0.000 0.470 415 V N 3.031 122.902 119.914 -0.072 0.000 2.769 415 V HA 0.602 4.726 4.120 0.007 0.000 0.312 415 V C -1.101 174.859 176.094 -0.222 0.000 1.061 415 V CA -0.771 61.485 62.300 -0.072 0.000 0.931 415 V CB 1.927 33.714 31.823 -0.061 0.000 1.010 415 V HN 0.876 nan 8.190 nan 0.000 0.433 416 H N 5.470 124.541 119.070 0.001 0.000 2.685 416 H HA 0.493 5.053 4.556 0.007 0.000 0.307 416 H C -0.956 174.337 175.328 -0.058 0.000 1.017 416 H CA -0.337 55.715 56.048 0.006 0.000 1.237 416 H CB 1.877 31.682 29.762 0.071 0.000 1.409 416 H HN 0.712 nan 8.280 nan 0.000 0.488 417 L N 3.165 124.399 121.223 0.018 0.000 2.282 417 L HA 0.425 4.769 4.340 0.007 0.000 0.288 417 L C -0.060 176.812 176.870 0.002 0.000 1.033 417 L CA 0.004 54.838 54.840 -0.011 0.000 0.807 417 L CB 1.877 43.920 42.059 -0.027 0.000 1.209 417 L HN 0.487 nan 8.230 nan 0.000 0.423 418 T N 3.518 118.061 114.554 -0.018 0.000 2.906 418 T HA 0.582 4.936 4.350 0.007 0.000 0.295 418 T C -1.804 172.892 174.700 -0.006 0.000 1.061 418 T CA -0.457 61.639 62.100 -0.007 0.000 1.000 418 T CB 1.078 69.932 68.868 -0.024 0.000 1.103 418 T HN 0.794 nan 8.240 nan 0.000 0.486 419 D N 0.258 120.663 120.400 0.008 0.000 2.654 419 D HA 0.251 4.896 4.640 0.007 0.000 0.231 419 D C 1.180 177.491 176.300 0.019 0.000 1.239 419 D CA -0.166 53.842 54.000 0.014 0.000 0.790 419 D CB 2.331 43.142 40.800 0.019 0.000 1.480 419 D HN 0.626 nan 8.370 nan 0.000 0.442 420 T N -0.491 114.076 114.554 0.022 0.000 2.857 420 T HA 0.184 4.538 4.350 0.007 0.000 0.266 420 T C 1.183 175.898 174.700 0.027 0.000 1.048 420 T CA 0.748 62.862 62.100 0.025 0.000 1.139 420 T CB -0.098 68.786 68.868 0.026 0.000 0.874 420 T HN 0.464 nan 8.240 nan 0.000 0.455 421 A N 1.533 124.370 122.820 0.029 0.000 2.466 421 A HA 0.216 4.540 4.320 0.007 0.000 0.238 421 A C 1.144 178.744 177.584 0.027 0.000 1.074 421 A CA -0.235 51.820 52.037 0.031 0.000 0.774 421 A CB 0.122 19.143 19.000 0.035 0.000 1.015 421 A HN 0.544 nan 8.150 nan 0.000 0.498 422 E N 0.089 120.305 120.200 0.026 0.000 2.435 422 E HA -0.000 4.354 4.350 0.007 0.000 0.195 422 E C 0.023 176.638 176.600 0.024 0.000 1.029 422 E CA 0.685 57.099 56.400 0.024 0.000 0.865 422 E CB 0.162 29.876 29.700 0.023 0.000 0.833 422 E HN 0.518 nan 8.360 nan 0.000 0.510 423 K N 0.619 121.035 120.400 0.027 0.000 2.426 423 K HA 0.382 4.706 4.320 0.007 0.000 0.251 423 K C -0.678 175.941 176.600 0.031 0.000 0.941 423 K CA -0.641 55.663 56.287 0.029 0.000 0.808 423 K CB 2.175 34.694 32.500 0.031 0.000 1.265 423 K HN -0.126 nan 8.250 nan 0.000 0.432 424 I N 1.417 122.005 120.570 0.031 0.000 2.752 424 I HA 0.022 4.197 4.170 0.007 0.000 0.287 424 I C 1.232 177.379 176.117 0.050 0.000 1.188 424 I CA 1.400 62.721 61.300 0.036 0.000 1.427 424 I CB 0.738 38.755 38.000 0.028 0.000 1.365 424 I HN 1.054 nan 8.210 nan 0.000 0.585 425 G N 2.952 111.786 108.800 0.056 0.000 2.624 425 G HA2 0.021 3.985 3.960 0.007 0.000 0.190 425 G HA3 0.021 3.985 3.960 0.007 0.000 0.190 425 G C 0.661 175.574 174.900 0.022 0.000 1.008 425 G CA -0.017 45.116 45.100 0.056 0.000 0.731 425 G HN 1.318 nan 8.290 nan 0.000 0.478 426 G N 1.238 110.065 108.800 0.044 0.000 2.611 426 G HA2 -0.294 3.671 3.960 0.007 0.000 0.301 426 G HA3 -0.294 3.671 3.960 0.007 0.000 0.301 426 G C 1.025 175.969 174.900 0.073 0.000 1.233 426 G CA 1.754 46.898 45.100 0.073 0.000 0.993 426 G HN 1.933 nan 8.290 nan 0.000 0.553 427 H N 0.600 119.703 119.070 0.056 0.000 2.546 427 H HA 0.156 4.716 4.556 0.007 0.000 0.277 427 H C 2.560 177.940 175.328 0.087 0.000 1.004 427 H CA 1.506 57.597 56.048 0.073 0.000 1.231 427 H CB -0.126 29.685 29.762 0.082 0.000 1.382 427 H HN 0.453 nan 8.280 nan 0.000 0.580 428 L N 1.758 122.717 121.223 -0.440 0.000 2.275 428 L HA -0.077 4.267 4.340 0.007 0.000 0.215 428 L C 1.616 178.440 176.870 -0.076 0.000 1.119 428 L CA 0.927 55.587 54.840 -0.301 0.000 0.790 428 L CB -0.743 41.159 42.059 -0.261 0.000 0.919 428 L HN 0.149 nan 8.230 nan 0.000 0.443 429 N N -0.749 117.932 118.700 -0.031 0.000 2.244 429 N HA -0.158 4.587 4.740 0.007 0.000 0.183 429 N C 1.723 177.236 175.510 0.006 0.000 1.016 429 N CA 1.017 54.070 53.050 0.004 0.000 0.866 429 N CB 0.000 38.500 38.487 0.022 0.000 0.980 429 N HN 0.563 nan 8.380 nan 0.000 0.430 430 Q N 0.115 119.931 119.800 0.027 0.000 2.062 430 Q HA 0.038 4.383 4.340 0.007 0.000 0.196 430 Q C 2.074 178.079 176.000 0.009 0.000 0.967 430 Q CA 0.654 56.476 55.803 0.031 0.000 0.832 430 Q CB 0.134 28.918 28.738 0.077 0.000 0.899 430 Q HN 0.074 nan 8.270 nan 0.000 0.442 431 V N 1.065 121.002 119.914 0.039 0.000 2.332 431 V HA -0.273 3.851 4.120 0.007 0.000 0.248 431 V C 2.095 178.090 176.094 -0.166 0.000 1.055 431 V CA 1.903 64.204 62.300 0.002 0.000 1.038 431 V CB -0.730 31.160 31.823 0.112 0.000 0.651 431 V HN 0.381 nan 8.190 nan 0.000 0.450 432 A N -0.708 122.040 122.820 -0.120 0.000 2.209 432 A HA 0.229 4.553 4.320 0.007 0.000 0.212 432 A C 2.091 179.573 177.584 -0.170 0.000 1.158 432 A CA 1.249 53.185 52.037 -0.168 0.000 0.742 432 A CB -0.362 18.601 19.000 -0.061 0.000 0.790 432 A HN 0.560 nan 8.150 nan 0.000 0.472 433 A N -1.031 121.712 122.820 -0.129 0.000 2.275 433 A HA 0.473 4.798 4.320 0.007 0.000 0.212 433 A C 0.554 178.054 177.584 -0.140 0.000 1.201 433 A CA -0.171 51.799 52.037 -0.112 0.000 0.843 433 A CB -0.174 18.787 19.000 -0.066 0.000 0.873 433 A HN 0.320 nan 8.150 nan 0.000 0.492 434 L N 0.609 121.720 121.223 -0.186 0.000 2.467 434 L HA 0.272 4.617 4.340 0.007 0.000 0.270 434 L C -2.286 174.439 176.870 -0.243 0.000 1.205 434 L CA -1.994 52.724 54.840 -0.204 0.000 0.828 434 L CB -0.155 41.761 42.059 -0.238 0.000 1.101 434 L HN 0.004 nan 8.230 nan 0.000 0.479 435 P HA 0.237 nan 4.420 nan 0.000 0.266 435 P C 0.624 177.747 177.300 -0.295 0.000 1.215 435 P CA 0.743 63.718 63.100 -0.207 0.000 0.763 435 P CB 0.538 32.145 31.700 -0.156 0.000 0.806 436 G N 2.873 111.491 108.800 -0.304 0.000 2.234 436 G HA2 -0.243 3.722 3.960 0.007 0.000 0.235 436 G HA3 -0.243 3.722 3.960 0.007 0.000 0.235 436 G C 0.461 175.077 174.900 -0.472 0.000 0.997 436 G CA -0.148 44.721 45.100 -0.386 0.000 0.623 436 G HN 0.495 nan 8.290 nan 0.000 0.514 437 L N 1.807 122.696 121.223 -0.558 0.000 2.791 437 L HA 0.364 4.708 4.340 0.007 0.000 0.239 437 L C 2.435 178.991 176.870 -0.524 0.000 1.203 437 L CA 0.459 54.794 54.840 -0.840 0.000 1.002 437 L CB -0.046 41.265 42.059 -1.246 0.000 1.295 437 L HN 0.264 nan 8.230 nan 0.000 0.504 438 G N 0.155 108.761 108.800 -0.324 0.000 2.422 438 G HA2 -0.214 3.751 3.960 0.007 0.000 0.218 438 G HA3 -0.214 3.751 3.960 0.007 0.000 0.218 438 G C 1.293 176.047 174.900 -0.242 0.000 1.146 438 G CA 0.343 45.312 45.100 -0.218 0.000 0.769 438 G HN 0.443 nan 8.290 nan 0.000 0.547 439 E N -0.452 119.581 120.200 -0.277 0.000 2.418 439 E HA -0.077 4.278 4.350 0.007 0.000 0.197 439 E C 1.824 178.211 176.600 -0.355 0.000 1.026 439 E CA 0.112 56.161 56.400 -0.586 0.000 0.862 439 E CB -0.083 29.404 29.700 -0.354 0.000 0.799 439 E HN 0.626 nan 8.360 nan 0.000 0.518 440 W N 0.932 122.015 121.300 -0.362 0.000 2.525 440 W HA -0.022 4.642 4.660 0.007 0.000 0.259 440 W C 2.237 178.675 176.519 -0.134 0.000 1.253 440 W CA 0.202 57.415 57.345 -0.220 0.000 1.262 440 W CB -0.576 28.747 29.460 -0.228 0.000 1.122 440 W HN -0.037 nan 8.180 nan 0.000 0.607 441 S N -0.255 115.462 115.700 0.028 0.000 2.387 441 S HA -0.259 4.215 4.470 0.007 0.000 0.230 441 S C 1.516 176.245 174.600 0.215 0.000 1.035 441 S CA 1.539 59.785 58.200 0.076 0.000 1.014 441 S CB -0.733 62.489 63.200 0.036 0.000 0.836 441 S HN 0.238 nan 8.310 nan 0.000 0.466 442 Y N 1.213 121.602 120.300 0.147 0.000 2.365 442 Y HA -0.152 4.403 4.550 0.007 0.000 0.287 442 Y C 2.396 178.386 175.900 0.150 0.000 1.162 442 Y CA 0.542 58.721 58.100 0.132 0.000 1.260 442 Y CB -1.246 37.277 38.460 0.105 0.000 0.976 442 Y HN 0.484 nan 8.280 nan 0.000 0.548 443 H N 1.518 120.711 119.070 0.206 0.000 2.321 443 H HA -0.142 4.419 4.556 0.007 0.000 0.300 443 H C 1.979 177.412 175.328 0.176 0.000 1.087 443 H CA 2.166 58.301 56.048 0.146 0.000 1.319 443 H CB 0.393 30.188 29.762 0.055 0.000 1.379 443 H HN 0.380 nan 8.280 nan 0.000 0.501 444 R N 0.306 120.984 120.500 0.296 0.000 2.173 444 R HA 0.027 4.372 4.340 0.007 0.000 0.208 444 R C 1.648 178.035 176.300 0.145 0.000 1.035 444 R CA 1.110 57.334 56.100 0.207 0.000 1.004 444 R CB -0.309 30.093 30.300 0.170 0.000 0.917 444 R HN 0.147 nan 8.270 nan 0.000 0.462 445 D N 0.572 121.081 120.400 0.181 0.000 2.104 445 D HA -0.212 4.433 4.640 0.007 0.000 0.194 445 D C 1.551 177.928 176.300 0.129 0.000 0.994 445 D CA 1.382 55.476 54.000 0.156 0.000 0.830 445 D CB -0.469 40.458 40.800 0.211 0.000 0.959 445 D HN 0.273 nan 8.370 nan 0.000 0.452 446 Y N 2.121 122.443 120.300 0.037 0.000 2.128 446 Y HA -0.214 4.341 4.550 0.008 0.000 0.284 446 Y C 2.125 178.011 175.900 -0.022 0.000 1.154 446 Y CA 1.741 59.839 58.100 -0.003 0.000 1.149 446 Y CB 0.067 38.508 38.460 -0.033 0.000 0.976 446 Y HN -0.133 nan 8.280 nan 0.000 0.505 447 R N 0.342 120.783 120.500 -0.099 0.000 2.115 447 R HA -0.134 4.211 4.340 0.007 0.000 0.226 447 R C 2.149 178.363 176.300 -0.144 0.000 1.100 447 R CA 1.340 57.331 56.100 -0.182 0.000 0.980 447 R CB -0.707 29.566 30.300 -0.044 0.000 0.875 447 R HN 0.553 nan 8.270 nan 0.000 0.445 448 E N 1.109 121.270 120.200 -0.065 0.000 2.012 448 E HA -0.175 4.179 4.350 0.007 0.000 0.197 448 E C 1.484 178.037 176.600 -0.078 0.000 1.007 448 E CA 2.094 58.467 56.400 -0.045 0.000 0.816 448 E CB -0.029 29.672 29.700 0.001 0.000 0.762 448 E HN 0.133 nan 8.360 nan 0.000 0.451 449 T N 1.162 115.666 114.554 -0.083 0.000 2.653 449 T HA -0.214 4.140 4.350 0.007 0.000 0.268 449 T C 1.859 176.469 174.700 -0.150 0.000 1.035 449 T CA 1.646 63.691 62.100 -0.092 0.000 1.154 449 T CB -0.236 68.591 68.868 -0.067 0.000 0.862 449 T HN 0.211 nan 8.240 nan 0.000 0.441 450 Q N 0.192 119.829 119.800 -0.271 0.000 2.079 450 Q HA 0.104 4.448 4.340 0.007 0.000 0.200 450 Q C 2.489 178.372 176.000 -0.195 0.000 0.974 450 Q CA 1.056 56.682 55.803 -0.294 0.000 0.840 450 Q CB -0.486 27.942 28.738 -0.518 0.000 0.898 450 Q HN 0.548 nan 8.270 nan 0.000 0.430 451 I N 0.952 121.419 120.570 -0.172 0.000 2.315 451 I HA -0.247 3.927 4.170 0.007 0.000 0.248 451 I C 2.521 178.581 176.117 -0.095 0.000 1.117 451 I CA 1.653 62.878 61.300 -0.125 0.000 1.404 451 I CB -0.388 37.551 38.000 -0.101 0.000 1.071 451 I HN 0.301 nan 8.210 nan 0.000 0.419 452 T N -1.005 113.501 114.554 -0.080 0.000 2.821 452 T HA -0.234 4.120 4.350 0.007 0.000 0.267 452 T C 1.937 176.602 174.700 -0.058 0.000 1.046 452 T CA 1.320 63.385 62.100 -0.057 0.000 1.139 452 T CB -0.290 68.554 68.868 -0.040 0.000 0.871 452 T HN 0.296 nan 8.240 nan 0.000 0.454 453 K N 0.794 121.153 120.400 -0.067 0.000 2.057 453 K HA 0.004 4.329 4.320 0.007 0.000 0.207 453 K C 2.361 178.921 176.600 -0.067 0.000 1.049 453 K CA 1.304 57.555 56.287 -0.061 0.000 0.931 453 K CB -0.411 32.050 32.500 -0.065 0.000 0.714 453 K HN 0.436 nan 8.250 nan 0.000 0.440 454 L N 1.044 122.215 121.223 -0.087 0.000 2.217 454 L HA -0.104 4.240 4.340 0.007 0.000 0.211 454 L C 2.313 179.134 176.870 -0.081 0.000 1.107 454 L CA 0.438 55.223 54.840 -0.092 0.000 0.783 454 L CB -0.226 41.761 42.059 -0.120 0.000 0.919 454 L HN 0.230 nan 8.230 nan 0.000 0.442 455 L N -0.172 121.006 121.223 -0.075 0.000 2.083 455 L HA -0.230 4.114 4.340 0.007 0.000 0.209 455 L C 2.357 179.193 176.870 -0.056 0.000 1.083 455 L CA 1.398 56.197 54.840 -0.068 0.000 0.752 455 L CB -0.368 41.656 42.059 -0.059 0.000 0.899 455 L HN 0.217 nan 8.230 nan 0.000 0.433 456 K N -0.133 120.238 120.400 -0.048 0.000 2.442 456 K HA -0.136 4.189 4.320 0.007 0.000 0.198 456 K C 1.800 178.377 176.600 -0.039 0.000 1.042 456 K CA 0.835 57.100 56.287 -0.038 0.000 0.958 456 K CB 0.063 32.544 32.500 -0.032 0.000 0.766 456 K HN 0.312 nan 8.250 nan 0.000 0.474 457 K N -0.161 120.210 120.400 -0.048 0.000 2.308 457 K HA 0.034 4.358 4.320 0.007 0.000 0.197 457 K C 0.342 176.912 176.600 -0.049 0.000 1.049 457 K CA 0.176 56.435 56.287 -0.048 0.000 0.991 457 K CB 0.296 32.763 32.500 -0.054 0.000 0.836 457 K HN -0.046 nan 8.250 nan 0.000 0.500 458 N N 1.020 119.687 118.700 -0.056 0.000 2.504 458 N HA 0.103 4.847 4.740 0.007 0.000 0.280 458 N C -0.053 175.424 175.510 -0.055 0.000 1.052 458 N CA -0.142 52.875 53.050 -0.054 0.000 0.887 458 N CB 1.201 39.651 38.487 -0.062 0.000 1.323 458 N HN -0.205 nan 8.380 nan 0.000 0.509 459 K N 1.441 121.817 120.400 -0.041 0.000 2.365 459 K HA 0.027 4.352 4.320 0.007 0.000 0.199 459 K C 0.352 176.932 176.600 -0.033 0.000 1.045 459 K CA 0.669 56.936 56.287 -0.033 0.000 0.962 459 K CB 0.509 32.997 32.500 -0.021 0.000 0.759 459 K HN 0.581 nan 8.250 nan 0.000 0.469 460 E N 0.627 120.804 120.200 -0.037 0.000 2.435 460 E HA 0.022 4.376 4.350 0.007 0.000 0.195 460 E C 0.250 176.766 176.600 -0.139 0.000 1.029 460 E CA 0.152 56.535 56.400 -0.028 0.000 0.865 460 E CB 0.183 29.887 29.700 0.007 0.000 0.833 460 E HN -0.027 nan 8.360 nan 0.000 0.510 461 S N 1.475 117.074 115.700 -0.169 0.000 2.548 461 S HA 0.188 4.662 4.470 0.007 0.000 0.277 461 S C 0.130 174.577 174.600 -0.254 0.000 1.315 461 S CA -0.155 57.879 58.200 -0.278 0.000 1.050 461 S CB 1.148 64.248 63.200 -0.166 0.000 0.918 461 S HN 0.074 nan 8.310 nan 0.000 0.497 462 Q N 1.443 121.033 119.800 -0.350 0.000 2.375 462 Q HA 0.483 4.827 4.340 0.007 0.000 0.271 462 Q C -1.591 174.379 176.000 -0.049 0.000 1.074 462 Q CA -0.862 54.870 55.803 -0.119 0.000 0.808 462 Q CB 2.326 31.113 28.738 0.082 0.000 1.327 462 Q HN 0.453 nan 8.270 nan 0.000 0.441 463 L N 1.887 123.106 121.223 -0.007 0.000 2.318 463 L HA 0.608 4.952 4.340 0.007 0.000 0.277 463 L C -1.306 175.583 176.870 0.033 0.000 1.008 463 L CA -0.129 54.714 54.840 0.006 0.000 0.846 463 L CB 1.253 43.304 42.059 -0.013 0.000 1.220 463 L HN 0.659 nan 8.230 nan 0.000 0.423 464 A N 6.909 129.758 122.820 0.048 0.000 2.508 464 A HA 0.657 4.981 4.320 0.007 0.000 0.336 464 A C -0.664 176.942 177.584 0.037 0.000 1.360 464 A CA -0.452 51.618 52.037 0.055 0.000 0.841 464 A CB -0.158 18.896 19.000 0.089 0.000 1.136 464 A HN 0.702 nan 8.150 nan 0.000 0.489 465 L N 0.684 121.924 121.223 0.029 0.000 2.416 465 L HA 0.707 5.051 4.340 0.007 0.000 0.263 465 L C 1.505 178.390 176.870 0.026 0.000 1.065 465 L CA -0.195 54.659 54.840 0.025 0.000 0.798 465 L CB 0.794 42.865 42.059 0.021 0.000 1.267 465 L HN 0.919 nan 8.230 nan 0.000 0.467 466 G N 0.505 109.319 108.800 0.025 0.000 2.283 466 G HA2 -0.255 3.709 3.960 0.007 0.000 0.280 466 G HA3 -0.255 3.709 3.960 0.007 0.000 0.280 466 G C 0.018 174.933 174.900 0.025 0.000 1.029 466 G CA 0.160 45.274 45.100 0.024 0.000 0.840 466 G HN 0.504 nan 8.290 nan 0.000 0.505 467 Q N -0.431 119.385 119.800 0.027 0.000 2.222 467 Q HA 0.667 5.011 4.340 0.007 0.000 0.211 467 Q C 0.718 176.733 176.000 0.026 0.000 1.013 467 Q CA -0.374 55.446 55.803 0.029 0.000 0.993 467 Q CB 0.444 29.200 28.738 0.031 0.000 1.151 467 Q HN 0.370 nan 8.270 nan 0.000 0.544 468 K N 1.295 121.711 120.400 0.027 0.000 2.118 468 K HA 0.377 4.701 4.320 0.007 0.000 0.267 468 K C -2.208 174.406 176.600 0.024 0.000 0.991 468 K CA -1.961 54.342 56.287 0.025 0.000 0.916 468 K CB 0.542 33.057 32.500 0.025 0.000 1.041 468 K HN 0.444 nan 8.250 nan 0.000 0.455 469 P HA -0.048 nan 4.420 nan 0.000 0.264 469 P C -0.335 176.976 177.300 0.018 0.000 1.193 469 P CA 0.232 63.345 63.100 0.021 0.000 0.763 469 P CB 0.419 32.133 31.700 0.024 0.000 0.810 470 M N 2.241 121.847 119.600 0.009 0.000 2.248 470 M HA 0.119 4.603 4.480 0.007 0.000 0.337 470 M C 0.738 177.043 176.300 0.009 0.000 1.121 470 M CA 0.976 56.277 55.300 0.003 0.000 1.155 470 M CB -0.233 32.351 32.600 -0.027 0.000 1.514 470 M HN 0.328 nan 8.290 nan 0.000 0.452 471 T N 1.269 115.830 114.554 0.011 0.000 2.942 471 T HA 0.533 4.888 4.350 0.007 0.000 0.289 471 T C 1.171 175.875 174.700 0.007 0.000 1.044 471 T CA -0.237 61.871 62.100 0.014 0.000 1.023 471 T CB 1.795 70.673 68.868 0.017 0.000 1.123 471 T HN 0.688 nan 8.240 nan 0.000 0.512 472 A N 1.046 123.871 122.820 0.009 0.000 1.917 472 A HA -0.163 4.161 4.320 0.007 0.000 0.219 472 A C 1.859 179.446 177.584 0.004 0.000 1.182 472 A CA 1.979 54.018 52.037 0.003 0.000 0.633 472 A CB -0.696 18.312 19.000 0.013 0.000 0.819 472 A HN 0.880 nan 8.150 nan 0.000 0.448 473 D N -0.025 120.383 120.400 0.013 0.000 2.097 473 D HA -0.134 4.510 4.640 0.007 0.000 0.197 473 D C 1.317 177.631 176.300 0.022 0.000 0.984 473 D CA 1.538 55.548 54.000 0.017 0.000 0.826 473 D CB -0.530 40.280 40.800 0.016 0.000 0.973 473 D HN 0.384 nan 8.370 nan 0.000 0.460 474 D N 0.675 121.091 120.400 0.028 0.000 2.149 474 D HA -0.135 4.509 4.640 0.007 0.000 0.194 474 D C 2.295 178.639 176.300 0.074 0.000 1.001 474 D CA 0.609 54.642 54.000 0.055 0.000 0.849 474 D CB -0.364 40.465 40.800 0.049 0.000 0.939 474 D HN 0.095 nan 8.370 nan 0.000 0.449 475 V N 0.462 120.382 119.914 0.010 0.000 2.323 475 V HA -0.171 3.953 4.120 0.007 0.000 0.244 475 V C 2.385 178.464 176.094 -0.025 0.000 1.041 475 V CA 0.863 63.139 62.300 -0.040 0.000 1.025 475 V CB -0.366 31.394 31.823 -0.105 0.000 0.656 475 V HN 0.163 nan 8.190 nan 0.000 0.451 476 L N -0.243 120.962 121.223 -0.029 0.000 2.042 476 L HA -0.181 4.163 4.340 0.007 0.000 0.210 476 L C 2.194 179.068 176.870 0.007 0.000 1.076 476 L CA 1.882 56.709 54.840 -0.022 0.000 0.749 476 L CB -1.142 40.925 42.059 0.013 0.000 0.893 476 L HN 0.407 nan 8.230 nan 0.000 0.432 477 Q N -2.929 116.887 119.800 0.026 0.000 2.222 477 Q HA -0.019 4.325 4.340 0.007 0.000 0.206 477 Q C 1.333 177.341 176.000 0.012 0.000 0.877 477 Q CA -0.019 55.792 55.803 0.014 0.000 0.958 477 Q CB 0.074 28.814 28.738 0.004 0.000 1.075 477 Q HN 0.418 nan 8.270 nan 0.000 0.483 478 Y N -0.602 119.651 120.300 -0.079 0.000 2.365 478 Y HA 0.125 4.679 4.550 0.007 0.000 0.293 478 Y C 1.566 177.400 175.900 -0.111 0.000 1.119 478 Y CA 1.476 59.515 58.100 -0.101 0.000 1.203 478 Y CB 0.490 38.880 38.460 -0.117 0.000 1.026 478 Y HN 0.178 nan 8.280 nan 0.000 0.549 479 G N -0.074 108.750 108.800 0.039 0.000 2.141 479 G HA2 -0.195 3.770 3.960 0.007 0.000 0.231 479 G HA3 -0.195 3.770 3.960 0.007 0.000 0.231 479 G C 0.197 175.126 174.900 0.049 0.000 0.984 479 G CA 0.028 45.122 45.100 -0.010 0.000 0.660 479 G HN 0.746 nan 8.290 nan 0.000 0.525 480 A N -0.032 122.874 122.820 0.143 0.000 2.371 480 A HA 0.594 4.918 4.320 0.007 0.000 0.257 480 A C 1.207 178.815 177.584 0.041 0.000 1.089 480 A CA 0.602 52.707 52.037 0.113 0.000 0.794 480 A CB 0.391 19.447 19.000 0.093 0.000 1.029 480 A HN 0.215 nan 8.150 nan 0.000 0.488 481 D N 0.534 120.964 120.400 0.050 0.000 2.149 481 D HA -0.012 4.632 4.640 0.007 0.000 0.201 481 D C 0.152 176.448 176.300 -0.006 0.000 0.972 481 D CA 1.381 55.402 54.000 0.034 0.000 0.835 481 D CB 0.244 41.086 40.800 0.070 0.000 0.966 481 D HN 0.508 nan 8.370 nan 0.000 0.476 482 K N 0.149 120.539 120.400 -0.017 0.000 2.469 482 K HA 0.510 4.835 4.320 0.007 0.000 0.254 482 K C -1.217 175.307 176.600 -0.126 0.000 0.939 482 K CA -0.584 55.654 56.287 -0.081 0.000 0.812 482 K CB 3.589 36.114 32.500 0.041 0.000 1.301 482 K HN -0.270 nan 8.250 nan 0.000 0.433 483 V N 3.454 123.219 119.914 -0.249 0.000 2.604 483 V HA 0.501 4.625 4.120 0.007 0.000 0.305 483 V C -0.618 175.374 176.094 -0.170 0.000 1.043 483 V CA -0.810 61.359 62.300 -0.218 0.000 0.888 483 V CB 1.711 33.362 31.823 -0.286 0.000 0.995 483 V HN 0.635 nan 8.190 nan 0.000 0.429 484 I N 5.225 125.750 120.570 -0.074 0.000 2.382 484 I HA 0.406 4.580 4.170 0.007 0.000 0.286 484 I C -0.779 175.328 176.117 -0.017 0.000 1.002 484 I CA -0.511 60.789 61.300 -0.000 0.000 1.135 484 I CB 1.636 39.647 38.000 0.018 0.000 1.288 484 I HN 0.352 nan 8.210 nan 0.000 0.448 485 I N 6.112 126.690 120.570 0.014 0.000 2.301 485 I HA 0.297 4.472 4.170 0.007 0.000 0.292 485 I C 0.701 176.808 176.117 -0.017 0.000 1.046 485 I CA -0.078 61.236 61.300 0.024 0.000 1.282 485 I CB 0.998 39.081 38.000 0.138 0.000 1.409 485 I HN 0.607 nan 8.210 nan 0.000 0.484 486 A N 4.362 127.175 122.820 -0.011 0.000 3.248 486 A HA 0.374 4.698 4.320 0.007 0.000 0.315 486 A C 0.967 178.552 177.584 0.002 0.000 0.974 486 A CA -0.367 51.663 52.037 -0.013 0.000 0.939 486 A CB -0.337 18.660 19.000 -0.004 0.000 1.061 486 A HN 0.704 nan 8.150 nan 0.000 0.481 487 T N -2.668 111.887 114.554 0.001 0.000 3.107 487 T HA 0.465 4.819 4.350 0.007 0.000 0.249 487 T C 1.223 175.923 174.700 0.001 0.000 1.096 487 T CA 0.743 62.850 62.100 0.012 0.000 1.012 487 T CB -0.080 68.805 68.868 0.029 0.000 0.977 487 T HN 2.017 nan 8.240 nan 0.000 0.527 488 G N 1.086 109.874 108.800 -0.020 0.000 2.615 488 G HA2 0.342 4.307 3.960 0.007 0.000 0.218 488 G HA3 0.342 4.307 3.960 0.007 0.000 0.218 488 G C -0.379 174.457 174.900 -0.107 0.000 1.339 488 G CA -0.438 44.633 45.100 -0.047 0.000 0.884 488 G HN 1.283 nan 8.290 nan 0.000 0.559 489 A N -0.769 121.940 122.820 -0.185 0.000 2.569 489 A HA 0.992 5.317 4.320 0.007 0.000 0.290 489 A C -0.089 177.275 177.584 -0.366 0.000 1.136 489 A CA -0.134 51.722 52.037 -0.302 0.000 0.710 489 A CB 1.614 20.394 19.000 -0.368 0.000 1.303 489 A HN 1.142 nan 8.150 nan 0.000 0.413 490 R N -1.098 119.059 120.500 -0.572 0.000 2.855 490 R HA 0.420 4.764 4.340 0.007 0.000 0.266 490 R C -1.692 174.237 176.300 -0.619 0.000 1.034 490 R CA -0.556 55.268 56.100 -0.461 0.000 0.944 490 R CB 1.176 31.306 30.300 -0.283 0.000 1.219 490 R HN 0.699 nan 8.270 nan 0.000 0.474 491 W N 1.316 122.499 121.300 -0.197 0.000 2.272 491 W HA 0.223 4.888 4.660 0.007 0.000 0.318 491 W C 0.360 176.901 176.519 0.037 0.000 1.255 491 W CA -0.040 57.248 57.345 -0.095 0.000 1.200 491 W CB 0.396 29.816 29.460 -0.068 0.000 1.170 491 W HN 0.280 nan 8.180 nan 0.000 0.549 492 N N 1.048 119.922 118.700 0.290 0.000 2.407 492 N HA -0.032 4.712 4.740 0.007 0.000 0.250 492 N C 1.040 176.689 175.510 0.232 0.000 1.236 492 N CA 0.658 53.897 53.050 0.315 0.000 0.879 492 N CB 0.681 39.305 38.487 0.228 0.000 1.088 492 N HN 0.492 nan 8.380 nan 0.000 0.450 493 T N -3.425 111.231 114.554 0.169 0.000 3.054 493 T HA 0.055 4.410 4.350 0.007 0.000 0.255 493 T C 0.299 175.039 174.700 0.067 0.000 1.035 493 T CA -0.164 62.002 62.100 0.111 0.000 0.941 493 T CB 0.068 68.996 68.868 0.099 0.000 1.026 493 T HN 0.499 nan 8.240 nan 0.000 0.533 494 D N 0.241 120.678 120.400 0.062 0.000 2.535 494 D HA 0.307 4.951 4.640 0.007 0.000 0.229 494 D C 1.500 177.831 176.300 0.050 0.000 1.238 494 D CA 0.040 54.066 54.000 0.043 0.000 0.824 494 D CB -0.300 40.516 40.800 0.026 0.000 1.045 494 D HN 0.426 nan 8.370 nan 0.000 0.500 495 G N 0.267 109.107 108.800 0.067 0.000 2.179 495 G HA2 -0.301 3.663 3.960 0.007 0.000 0.260 495 G HA3 -0.301 3.663 3.960 0.007 0.000 0.260 495 G C 0.508 175.483 174.900 0.125 0.000 0.977 495 G CA 0.381 45.528 45.100 0.078 0.000 0.641 495 G HN 0.439 nan 8.290 nan 0.000 0.533 496 T N 1.275 115.895 114.554 0.109 0.000 2.933 496 T HA 0.416 4.771 4.350 0.007 0.000 0.306 496 T C 0.430 175.212 174.700 0.137 0.000 1.045 496 T CA 1.105 63.273 62.100 0.114 0.000 1.143 496 T CB 0.522 69.441 68.868 0.084 0.000 1.003 496 T HN 1.193 nan 8.240 nan 0.000 0.540 497 N N -0.258 118.515 118.700 0.122 0.000 2.591 497 N HA 0.260 5.004 4.740 0.007 0.000 0.263 497 N C 0.886 176.390 175.510 -0.011 0.000 1.308 497 N CA -0.866 52.232 53.050 0.080 0.000 0.837 497 N CB 0.235 38.797 38.487 0.125 0.000 1.548 497 N HN 0.530 nan 8.380 nan 0.000 0.493 498 C N -0.697 118.571 119.300 -0.053 0.000 2.437 498 C HA 0.173 4.637 4.460 0.007 0.000 0.283 498 C C 1.744 176.494 174.990 -0.400 0.000 1.424 498 C CA 0.072 59.043 59.018 -0.078 0.000 1.782 498 C CB -1.757 25.978 27.740 -0.008 0.000 1.833 498 C HN 0.679 nan 8.230 nan 0.000 0.532 499 L N 2.371 123.342 121.223 -0.420 0.000 2.049 499 L HA 0.012 4.357 4.340 0.007 0.000 0.203 499 L C 3.069 179.674 176.870 -0.440 0.000 1.074 499 L CA 2.527 57.101 54.840 -0.443 0.000 0.749 499 L CB -1.009 40.722 42.059 -0.548 0.000 0.907 499 L HN 0.569 nan 8.230 nan 0.000 0.439 500 T N -6.045 108.320 114.554 -0.315 0.000 3.040 500 T HA -0.004 4.350 4.350 0.007 0.000 0.252 500 T C 0.711 175.313 174.700 -0.163 0.000 1.064 500 T CA 0.349 62.347 62.100 -0.170 0.000 1.110 500 T CB -0.147 68.732 68.868 0.018 0.000 0.921 500 T HN 0.322 nan 8.240 nan 0.000 0.480 501 H N 0.924 120.008 119.070 0.023 0.000 3.047 501 H HA -0.091 4.470 4.556 0.007 0.000 0.263 501 H C -0.954 174.393 175.328 0.032 0.000 1.168 501 H CA 1.183 57.245 56.048 0.022 0.000 1.152 501 H CB -2.067 27.703 29.762 0.012 0.000 1.278 501 H HN 0.491 nan 8.280 nan 0.000 0.339 502 D N 0.031 120.499 120.400 0.113 0.000 2.490 502 D HA 0.338 4.982 4.640 0.007 0.000 0.232 502 D C -2.147 174.204 176.300 0.085 0.000 1.053 502 D CA -1.522 52.531 54.000 0.089 0.000 0.914 502 D CB 2.279 43.122 40.800 0.072 0.000 1.431 502 D HN -0.082 nan 8.370 nan 0.000 0.483 503 P HA 0.232 nan 4.420 nan 0.000 0.272 503 P C -0.272 177.065 177.300 0.062 0.000 1.240 503 P CA -0.174 62.963 63.100 0.061 0.000 0.791 503 P CB 0.984 32.708 31.700 0.041 0.000 0.978 504 I N 1.703 122.304 120.570 0.051 0.000 2.377 504 I HA 0.247 4.421 4.170 0.007 0.000 0.293 504 I C -2.115 174.017 176.117 0.025 0.000 0.987 504 I CA -2.864 58.455 61.300 0.032 0.000 1.185 504 I CB 1.465 39.457 38.000 -0.013 0.000 1.341 504 I HN 0.090 nan 8.210 nan 0.000 0.455 505 P HA 0.067 nan 4.420 nan 0.000 0.262 505 P C 0.756 178.083 177.300 0.045 0.000 1.199 505 P CA 0.700 63.821 63.100 0.035 0.000 0.763 505 P CB 0.453 32.175 31.700 0.035 0.000 0.790 506 G N 2.473 111.304 108.800 0.051 0.000 2.213 506 G HA2 -0.160 3.804 3.960 0.007 0.000 0.236 506 G HA3 -0.160 3.804 3.960 0.007 0.000 0.236 506 G C 0.354 175.290 174.900 0.060 0.000 0.991 506 G CA -0.091 45.049 45.100 0.068 0.000 0.629 506 G HN 0.835 nan 8.290 nan 0.000 0.517 507 A N 0.385 123.227 122.820 0.037 0.000 2.354 507 A HA 0.586 4.911 4.320 0.007 0.000 0.281 507 A C -0.074 177.528 177.584 0.030 0.000 1.174 507 A CA 0.751 52.802 52.037 0.023 0.000 0.828 507 A CB 0.603 19.608 19.000 0.009 0.000 1.099 507 A HN 0.651 nan 8.150 nan 0.000 0.516 508 D N 1.778 122.196 120.400 0.030 0.000 2.369 508 D HA 0.326 4.970 4.640 0.007 0.000 0.212 508 D C 0.251 176.569 176.300 0.030 0.000 1.326 508 D CA 0.254 54.274 54.000 0.033 0.000 0.933 508 D CB 1.058 41.879 40.800 0.036 0.000 1.516 508 D HN 0.440 nan 8.370 nan 0.000 0.557 509 A N 2.291 125.129 122.820 0.029 0.000 2.235 509 A HA 0.045 4.370 4.320 0.007 0.000 0.208 509 A C 1.696 179.296 177.584 0.027 0.000 1.172 509 A CA 1.173 53.224 52.037 0.024 0.000 0.786 509 A CB -0.214 18.805 19.000 0.032 0.000 0.804 509 A HN 0.462 nan 8.150 nan 0.000 0.479 510 S N -1.134 114.585 115.700 0.031 0.000 2.503 510 S HA 0.213 4.687 4.470 0.007 0.000 0.217 510 S C 0.501 175.119 174.600 0.030 0.000 0.999 510 S CA -0.266 57.952 58.200 0.030 0.000 0.914 510 S CB -0.374 62.844 63.200 0.029 0.000 0.782 510 S HN 0.158 nan 8.310 nan 0.000 0.520 511 L N 3.066 124.310 121.223 0.035 0.000 2.483 511 L HA 0.307 4.652 4.340 0.007 0.000 0.275 511 L C -1.251 175.645 176.870 0.043 0.000 1.220 511 L CA -1.516 53.350 54.840 0.042 0.000 0.833 511 L CB 0.010 42.102 42.059 0.057 0.000 1.102 511 L HN 0.047 nan 8.230 nan 0.000 0.490 512 P HA -0.071 nan 4.420 nan 0.000 0.225 512 P C 0.172 177.506 177.300 0.058 0.000 1.156 512 P CA 0.751 63.877 63.100 0.044 0.000 0.787 512 P CB 0.195 31.918 31.700 0.039 0.000 0.802 513 D N -1.556 118.899 120.400 0.091 0.000 2.388 513 D HA 0.045 4.690 4.640 0.007 0.000 0.221 513 D C 0.234 176.597 176.300 0.105 0.000 1.133 513 D CA -0.075 54.011 54.000 0.143 0.000 0.831 513 D CB -0.209 40.741 40.800 0.250 0.000 0.962 513 D HN 0.174 nan 8.370 nan 0.000 0.502 514 Q N 0.303 120.124 119.800 0.035 0.000 2.337 514 Q HA 0.518 4.862 4.340 0.007 0.000 0.270 514 Q C -0.916 175.061 176.000 -0.040 0.000 1.043 514 Q CA -0.798 54.982 55.803 -0.038 0.000 0.794 514 Q CB 2.867 31.592 28.738 -0.022 0.000 1.281 514 Q HN 0.057 nan 8.270 nan 0.000 0.446 515 L N 1.369 122.546 121.223 -0.077 0.000 2.323 515 L HA 0.630 4.975 4.340 0.007 0.000 0.265 515 L C 0.397 177.222 176.870 -0.074 0.000 1.012 515 L CA -0.711 54.089 54.840 -0.068 0.000 0.820 515 L CB 1.970 43.973 42.059 -0.092 0.000 1.334 515 L HN 0.763 nan 8.230 nan 0.000 0.427 516 T N -2.608 111.915 114.554 -0.052 0.000 2.948 516 T HA 0.434 4.788 4.350 0.007 0.000 0.285 516 T C -2.105 172.515 174.700 -0.133 0.000 1.019 516 T CA -1.823 60.242 62.100 -0.058 0.000 1.013 516 T CB 1.777 70.667 68.868 0.037 0.000 1.117 516 T HN 0.275 nan 8.240 nan 0.000 0.533 517 P HA -0.119 nan 4.420 nan 0.000 0.216 517 P C 1.199 178.412 177.300 -0.145 0.000 1.154 517 P CA 1.231 64.135 63.100 -0.327 0.000 0.865 517 P CB 0.036 31.297 31.700 -0.731 0.000 0.789 518 E N -0.592 119.584 120.200 -0.041 0.000 2.077 518 E HA -0.194 4.161 4.350 0.007 0.000 0.193 518 E C 2.198 178.796 176.600 -0.004 0.000 0.989 518 E CA 1.159 57.571 56.400 0.021 0.000 0.800 518 E CB -0.682 29.066 29.700 0.080 0.000 0.746 518 E HN 0.380 nan 8.360 nan 0.000 0.452 519 Q N -0.098 119.693 119.800 -0.014 0.000 2.167 519 Q HA -0.106 4.239 4.340 0.007 0.000 0.202 519 Q C 2.188 178.163 176.000 -0.040 0.000 0.970 519 Q CA 1.152 56.944 55.803 -0.018 0.000 0.855 519 Q CB 0.082 28.809 28.738 -0.017 0.000 0.911 519 Q HN 0.166 nan 8.270 nan 0.000 0.438 520 V N 0.496 120.367 119.914 -0.072 0.000 2.379 520 V HA -0.235 3.889 4.120 0.007 0.000 0.245 520 V C 2.044 178.096 176.094 -0.070 0.000 1.044 520 V CA 1.591 63.837 62.300 -0.090 0.000 1.036 520 V CB -0.326 31.416 31.823 -0.136 0.000 0.664 520 V HN 0.413 nan 8.190 nan 0.000 0.453 521 M N -0.551 119.012 119.600 -0.062 0.000 2.288 521 M HA -0.094 4.390 4.480 0.007 0.000 0.266 521 M C 1.776 178.062 176.300 -0.023 0.000 1.072 521 M CA 1.286 56.559 55.300 -0.045 0.000 1.132 521 M CB -0.467 32.112 32.600 -0.035 0.000 1.386 521 M HN 0.267 nan 8.290 nan 0.000 0.432 522 D N 0.380 120.772 120.400 -0.013 0.000 2.264 522 D HA -0.040 4.604 4.640 0.007 0.000 0.208 522 D C 1.494 177.790 176.300 -0.006 0.000 0.966 522 D CA 1.381 55.380 54.000 -0.002 0.000 0.864 522 D CB -0.250 40.553 40.800 0.006 0.000 0.933 522 D HN 0.533 nan 8.370 nan 0.000 0.499 523 G N 0.684 109.476 108.800 -0.014 0.000 2.168 523 G HA2 -0.331 3.634 3.960 0.007 0.000 0.257 523 G HA3 -0.331 3.634 3.960 0.007 0.000 0.257 523 G C 1.243 176.141 174.900 -0.003 0.000 0.997 523 G CA 0.671 45.764 45.100 -0.012 0.000 0.708 523 G HN 0.236 nan 8.290 nan 0.000 0.520 524 K N -0.080 120.320 120.400 -0.001 0.000 2.190 524 K HA 0.128 4.452 4.320 0.007 0.000 0.202 524 K C 1.366 177.969 176.600 0.006 0.000 1.045 524 K CA 0.425 56.715 56.287 0.005 0.000 0.976 524 K CB 0.012 32.516 32.500 0.007 0.000 0.849 524 K HN 0.422 nan 8.250 nan 0.000 0.468 525 K N 2.938 123.339 120.400 0.002 0.000 2.416 525 K HA -0.034 4.290 4.320 0.007 0.000 0.283 525 K C -0.394 176.208 176.600 0.004 0.000 1.037 525 K CA 0.034 56.323 56.287 0.003 0.000 0.995 525 K CB 0.464 32.963 32.500 -0.002 0.000 0.938 525 K HN -0.038 nan 8.250 nan 0.000 0.475 526 K N 3.794 124.203 120.400 0.014 0.000 2.295 526 K HA 0.211 4.536 4.320 0.007 0.000 0.270 526 K C -0.597 176.020 176.600 0.028 0.000 1.011 526 K CA -0.077 56.226 56.287 0.026 0.000 0.953 526 K CB 0.680 33.199 32.500 0.032 0.000 0.956 526 K HN 0.386 nan 8.250 nan 0.000 0.477 527 I N 2.449 123.049 120.570 0.050 0.000 2.436 527 I HA 0.289 4.463 4.170 0.007 0.000 0.289 527 I C 0.581 176.790 176.117 0.153 0.000 1.010 527 I CA -1.091 60.231 61.300 0.037 0.000 1.098 527 I CB 2.006 39.944 38.000 -0.102 0.000 1.266 527 I HN 0.946 nan 8.210 nan 0.000 0.434 528 G N 3.907 112.784 108.800 0.128 0.000 2.653 528 G HA2 0.077 4.042 3.960 0.007 0.000 0.265 528 G HA3 0.077 4.042 3.960 0.007 0.000 0.265 528 G C 0.726 175.778 174.900 0.253 0.000 1.237 528 G CA -0.273 44.919 45.100 0.154 0.000 0.946 528 G HN 0.708 nan 8.290 nan 0.000 0.522 529 K N -0.333 120.160 120.400 0.156 0.000 2.025 529 K HA -0.035 4.290 4.320 0.007 0.000 0.207 529 K C 0.764 177.470 176.600 0.177 0.000 1.049 529 K CA 0.708 57.068 56.287 0.122 0.000 0.933 529 K CB -0.058 32.457 32.500 0.026 0.000 0.714 529 K HN 0.390 nan 8.250 nan 0.000 0.438 530 R N 1.784 122.365 120.500 0.136 0.000 2.205 530 R HA 0.235 4.579 4.340 0.007 0.000 0.342 530 R C -0.821 175.561 176.300 0.137 0.000 1.058 530 R CA -0.334 55.839 56.100 0.123 0.000 0.904 530 R CB 1.507 31.868 30.300 0.100 0.000 1.089 530 R HN -0.088 nan 8.270 nan 0.000 0.471 531 V N 4.146 124.116 119.914 0.093 0.000 2.435 531 V HA 0.318 4.442 4.120 0.007 0.000 0.290 531 V C 0.163 176.250 176.094 -0.011 0.000 1.030 531 V CA -0.816 61.492 62.300 0.012 0.000 0.881 531 V CB 1.956 33.734 31.823 -0.075 0.000 0.983 531 V HN 0.398 nan 8.190 nan 0.000 0.445 532 V N 6.090 125.962 119.914 -0.069 0.000 2.417 532 V HA 0.499 4.623 4.120 0.007 0.000 0.291 532 V C -0.193 175.791 176.094 -0.184 0.000 1.024 532 V CA -0.433 61.804 62.300 -0.105 0.000 0.861 532 V CB 1.859 33.628 31.823 -0.090 0.000 0.985 532 V HN 0.685 nan 8.190 nan 0.000 0.436 533 I N 5.581 126.065 120.570 -0.143 0.000 2.328 533 I HA 0.317 4.491 4.170 0.007 0.000 0.287 533 I C -0.502 175.537 176.117 -0.130 0.000 1.012 533 I CA -0.569 60.639 61.300 -0.154 0.000 1.195 533 I CB 1.518 39.438 38.000 -0.134 0.000 1.350 533 I HN 0.414 nan 8.210 nan 0.000 0.464 534 L N 8.504 129.639 121.223 -0.146 0.000 2.281 534 L HA 0.362 4.707 4.340 0.007 0.000 0.285 534 L C -0.182 176.680 176.870 -0.012 0.000 1.074 534 L CA 0.430 55.207 54.840 -0.105 0.000 0.817 534 L CB 0.441 42.394 42.059 -0.178 0.000 1.168 534 L HN 0.599 nan 8.230 nan 0.000 0.434 535 N N 4.013 122.754 118.700 0.068 0.000 2.314 535 N HA 0.592 5.336 4.740 0.007 0.000 0.294 535 N C -0.813 174.784 175.510 0.144 0.000 1.029 535 N CA -0.054 53.043 53.050 0.078 0.000 0.845 535 N CB 2.006 40.504 38.487 0.019 0.000 1.321 535 N HN 0.717 nan 8.380 nan 0.000 0.481 536 A N 2.978 125.869 122.820 0.118 0.000 2.594 536 A HA 0.215 4.540 4.320 0.007 0.000 0.292 536 A C -0.511 177.101 177.584 0.047 0.000 1.026 536 A CA -0.343 51.703 52.037 0.015 0.000 0.983 536 A CB -0.026 18.953 19.000 -0.035 0.000 1.233 536 A HN 0.757 nan 8.150 nan 0.000 0.519 537 D N -0.765 119.688 120.400 0.088 0.000 2.646 537 D HA 0.456 5.101 4.640 0.007 0.000 0.245 537 D C 0.923 177.297 176.300 0.123 0.000 1.099 537 D CA 0.279 54.354 54.000 0.125 0.000 0.849 537 D CB 1.641 42.566 40.800 0.209 0.000 1.448 537 D HN 0.012 nan 8.370 nan 0.000 0.489 538 T N 0.478 115.129 114.554 0.163 0.000 3.145 538 T HA 0.104 4.458 4.350 0.007 0.000 0.255 538 T C 0.400 175.291 174.700 0.318 0.000 1.039 538 T CA -0.111 62.116 62.100 0.212 0.000 0.928 538 T CB -0.237 68.765 68.868 0.223 0.000 1.029 538 T HN 0.311 nan 8.240 nan 0.000 0.554 539 Y N 1.643 122.019 120.300 0.126 0.000 3.288 539 Y HA 0.512 5.067 4.550 0.007 0.000 0.346 539 Y C 1.151 177.136 175.900 0.141 0.000 1.333 539 Y CA -2.088 56.124 58.100 0.187 0.000 0.853 539 Y CB -0.222 38.308 38.460 0.118 0.000 1.155 539 Y HN 0.099 nan 8.280 nan 0.000 0.862 540 F N -0.853 119.156 119.950 0.098 0.000 2.698 540 F HA 0.167 4.698 4.527 0.007 0.000 0.295 540 F C 1.738 177.469 175.800 -0.114 0.000 1.124 540 F CA 0.686 58.648 58.000 -0.062 0.000 1.426 540 F CB -0.653 38.160 39.000 -0.313 0.000 1.120 540 F HN 0.243 nan 8.300 nan 0.000 0.583 541 M N 2.237 121.495 119.600 -0.571 0.000 2.099 541 M HA 0.108 4.592 4.480 0.007 0.000 0.262 541 M C 2.285 178.407 176.300 -0.297 0.000 1.067 541 M CA 1.922 56.924 55.300 -0.498 0.000 1.124 541 M CB -0.992 31.160 32.600 -0.747 0.000 1.353 541 M HN 0.247 nan 8.290 nan 0.000 0.410 542 A N 0.529 123.212 122.820 -0.229 0.000 1.897 542 A HA -0.001 4.323 4.320 0.007 0.000 0.215 542 A C -0.366 177.156 177.584 -0.103 0.000 1.181 542 A CA 1.288 53.224 52.037 -0.167 0.000 0.620 542 A CB -2.173 16.760 19.000 -0.111 0.000 0.821 542 A HN 0.471 nan 8.150 nan 0.000 0.443 543 P HA -0.074 nan 4.420 nan 0.000 0.217 543 P C 1.559 178.826 177.300 -0.054 0.000 1.150 543 P CA 1.693 64.771 63.100 -0.037 0.000 0.832 543 P CB -0.203 31.499 31.700 0.004 0.000 0.787 544 S N -0.133 115.537 115.700 -0.050 0.000 2.368 544 S HA -0.092 4.382 4.470 0.007 0.000 0.225 544 S C 1.906 176.443 174.600 -0.105 0.000 1.030 544 S CA 0.946 59.099 58.200 -0.079 0.000 0.999 544 S CB -0.924 62.251 63.200 -0.043 0.000 0.844 544 S HN 0.015 nan 8.310 nan 0.000 0.459 545 L N 1.697 122.844 121.223 -0.126 0.000 2.056 545 L HA 0.050 4.394 4.340 0.007 0.000 0.207 545 L C 2.632 179.429 176.870 -0.122 0.000 1.078 545 L CA 1.557 56.310 54.840 -0.145 0.000 0.749 545 L CB -1.623 40.318 42.059 -0.196 0.000 0.901 545 L HN 0.288 nan 8.230 nan 0.000 0.433 546 A N -0.752 122.005 122.820 -0.106 0.000 1.883 546 A HA -0.292 4.032 4.320 0.007 0.000 0.217 546 A C 2.349 179.896 177.584 -0.062 0.000 1.186 546 A CA 2.003 53.993 52.037 -0.080 0.000 0.624 546 A CB -0.650 18.311 19.000 -0.065 0.000 0.822 546 A HN 0.519 nan 8.150 nan 0.000 0.444 547 E N -0.199 119.961 120.200 -0.066 0.000 2.031 547 E HA -0.266 4.088 4.350 0.007 0.000 0.193 547 E C 2.129 178.695 176.600 -0.057 0.000 0.994 547 E CA 1.607 57.971 56.400 -0.060 0.000 0.800 547 E CB -0.197 29.461 29.700 -0.070 0.000 0.752 547 E HN 0.609 nan 8.360 nan 0.000 0.447 548 K N 0.388 120.745 120.400 -0.072 0.000 2.044 548 K HA -0.187 4.138 4.320 0.007 0.000 0.210 548 K C 2.280 178.862 176.600 -0.030 0.000 1.049 548 K CA 1.648 57.896 56.287 -0.064 0.000 0.927 548 K CB -0.175 32.272 32.500 -0.087 0.000 0.713 548 K HN 0.224 nan 8.250 nan 0.000 0.443 549 L N 0.097 121.295 121.223 -0.043 0.000 2.109 549 L HA -0.091 4.254 4.340 0.007 0.000 0.207 549 L C 2.604 179.547 176.870 0.122 0.000 1.086 549 L CA 0.995 55.833 54.840 -0.004 0.000 0.760 549 L CB -0.423 41.548 42.059 -0.146 0.000 0.910 549 L HN 0.305 nan 8.230 nan 0.000 0.437 550 A N 0.095 122.942 122.820 0.046 0.000 1.968 550 A HA -0.149 4.175 4.320 0.007 0.000 0.217 550 A C 2.351 179.951 177.584 0.026 0.000 1.169 550 A CA 1.798 53.863 52.037 0.046 0.000 0.638 550 A CB -0.725 18.278 19.000 0.006 0.000 0.812 550 A HN 0.494 nan 8.150 nan 0.000 0.446 551 T N -2.836 111.723 114.554 0.008 0.000 3.055 551 T HA 0.268 4.623 4.350 0.007 0.000 0.265 551 T C 1.558 176.261 174.700 0.005 0.000 1.111 551 T CA 1.041 63.137 62.100 -0.007 0.000 1.118 551 T CB -0.168 68.685 68.868 -0.024 0.000 0.909 551 T HN 0.464 nan 8.240 nan 0.000 0.501 552 A N 0.708 123.555 122.820 0.045 0.000 2.251 552 A HA 0.619 4.944 4.320 0.007 0.000 0.209 552 A C 1.950 179.512 177.584 -0.037 0.000 1.187 552 A CA 0.443 52.508 52.037 0.048 0.000 0.823 552 A CB -0.912 18.174 19.000 0.143 0.000 0.846 552 A HN 1.244 nan 8.150 nan 0.000 0.486 553 G N -1.464 107.311 108.800 -0.042 0.000 2.163 553 G HA2 -0.171 3.793 3.960 0.007 0.000 0.213 553 G HA3 -0.171 3.793 3.960 0.007 0.000 0.213 553 G C 0.072 174.849 174.900 -0.207 0.000 0.991 553 G CA 0.091 45.115 45.100 -0.127 0.000 0.653 553 G HN 0.658 nan 8.290 nan 0.000 0.518 554 H N 0.841 119.905 119.070 -0.011 0.000 2.546 554 H HA 0.388 4.949 4.556 0.007 0.000 0.365 554 H C 0.033 175.359 175.328 -0.002 0.000 1.220 554 H CA 0.193 56.237 56.048 -0.007 0.000 1.386 554 H CB 0.785 30.538 29.762 -0.014 0.000 1.510 554 H HN 0.423 nan 8.280 nan 0.000 0.591 555 E N 1.689 121.962 120.200 0.123 0.000 2.081 555 E HA 0.282 4.637 4.350 0.007 0.000 0.276 555 E C -0.581 176.062 176.600 0.072 0.000 0.950 555 E CA -0.602 55.843 56.400 0.074 0.000 0.776 555 E CB 2.040 31.768 29.700 0.047 0.000 1.094 555 E HN 0.229 nan 8.360 nan 0.000 0.402 556 V N 1.827 121.770 119.914 0.048 0.000 2.495 556 V HA 0.557 4.681 4.120 0.007 0.000 0.298 556 V C -0.757 175.339 176.094 0.002 0.000 1.031 556 V CA -0.117 62.193 62.300 0.017 0.000 0.871 556 V CB 1.938 33.757 31.823 -0.006 0.000 0.988 556 V HN 0.557 nan 8.190 nan 0.000 0.432 557 T N 7.929 122.477 114.554 -0.010 0.000 2.792 557 T HA 0.607 4.962 4.350 0.007 0.000 0.280 557 T C -0.267 174.409 174.700 -0.040 0.000 0.990 557 T CA -0.135 61.954 62.100 -0.018 0.000 0.960 557 T CB 1.088 69.949 68.868 -0.013 0.000 0.939 557 T HN 0.666 nan 8.240 nan 0.000 0.439 558 I N 3.429 123.977 120.570 -0.037 0.000 2.312 558 I HA 0.420 4.594 4.170 0.007 0.000 0.290 558 I C 0.196 176.289 176.117 -0.040 0.000 1.008 558 I CA -1.075 60.199 61.300 -0.043 0.000 1.226 558 I CB 1.345 39.328 38.000 -0.029 0.000 1.371 558 I HN 0.320 nan 8.210 nan 0.000 0.468 559 V N 4.645 124.528 119.914 -0.053 0.000 2.370 559 V HA 0.568 4.692 4.120 0.007 0.000 0.279 559 V C -0.326 175.773 176.094 0.007 0.000 1.029 559 V CA 0.131 62.403 62.300 -0.046 0.000 0.870 559 V CB 1.585 33.352 31.823 -0.093 0.000 0.984 559 V HN 0.744 nan 8.190 nan 0.000 0.451 560 S N 3.892 119.614 115.700 0.037 0.000 2.605 560 S HA 0.667 5.141 4.470 0.007 0.000 0.308 560 S C 0.900 175.513 174.600 0.022 0.000 1.113 560 S CA 0.090 58.320 58.200 0.050 0.000 1.049 560 S CB 1.462 64.679 63.200 0.030 0.000 1.001 560 S HN 1.272 nan 8.310 nan 0.000 0.480 561 G N 2.721 111.529 108.800 0.012 0.000 2.777 561 G HA2 0.276 4.241 3.960 0.007 0.000 0.211 561 G HA3 0.276 4.241 3.960 0.007 0.000 0.211 561 G C 0.453 175.175 174.900 -0.296 0.000 1.149 561 G CA 0.757 45.732 45.100 -0.209 0.000 0.785 561 G HN 0.935 nan 8.290 nan 0.000 0.536 562 V N -3.918 115.876 119.914 -0.200 0.000 3.113 562 V HA 0.581 4.705 4.120 0.007 0.000 0.316 562 V C -0.625 175.368 176.094 -0.167 0.000 1.125 562 V CA -1.820 60.364 62.300 -0.194 0.000 1.026 562 V CB 1.223 32.996 31.823 -0.083 0.000 1.080 562 V HN 0.150 nan 8.190 nan 0.000 0.444 563 H N 1.719 120.835 119.070 0.076 0.000 3.017 563 H HA 0.375 4.935 4.556 0.008 0.000 0.276 563 H C 0.079 175.475 175.328 0.113 0.000 1.062 563 H CA -0.004 56.108 56.048 0.106 0.000 1.486 563 H CB 0.730 30.566 29.762 0.122 0.000 1.507 563 H HN 0.682 nan 8.280 nan 0.000 0.508 564 L N 3.459 124.800 121.223 0.197 0.000 2.559 564 L HA 0.071 4.416 4.340 0.007 0.000 0.274 564 L C 0.791 177.786 176.870 0.208 0.000 1.205 564 L CA 0.935 55.870 54.840 0.159 0.000 0.907 564 L CB -0.424 41.706 42.059 0.119 0.000 1.153 564 L HN 0.919 nan 8.230 nan 0.000 0.490 565 A N 3.129 126.061 122.820 0.187 0.000 2.826 565 A HA -0.319 4.005 4.320 0.007 0.000 0.274 565 A C 1.617 179.308 177.584 0.178 0.000 1.443 565 A CA 1.197 53.367 52.037 0.222 0.000 0.833 565 A CB -2.601 16.500 19.000 0.169 0.000 1.023 565 A HN 1.018 nan 8.150 nan 0.000 0.600 566 N N -1.138 117.649 118.700 0.145 0.000 2.104 566 N HA -0.190 4.555 4.740 0.007 0.000 0.190 566 N C 1.260 176.721 175.510 -0.081 0.000 1.024 566 N CA 2.438 55.503 53.050 0.024 0.000 0.853 566 N CB -0.355 38.255 38.487 0.205 0.000 1.008 566 N HN 0.762 nan 8.380 nan 0.000 0.424 567 Y N 0.113 120.422 120.300 0.015 0.000 2.497 567 Y HA 0.089 4.644 4.550 0.008 0.000 0.292 567 Y C 1.845 177.704 175.900 -0.069 0.000 1.137 567 Y CA 0.937 59.056 58.100 0.031 0.000 1.285 567 Y CB -0.043 38.339 38.460 -0.129 0.000 0.991 567 Y HN 0.158 nan 8.280 nan 0.000 0.556 568 M N -1.290 118.340 119.600 0.050 0.000 2.562 568 M HA -0.144 4.341 4.480 0.007 0.000 0.257 568 M C 1.595 177.879 176.300 -0.028 0.000 1.099 568 M CA 0.455 55.827 55.300 0.119 0.000 1.099 568 M CB -0.125 32.641 32.600 0.277 0.000 1.427 568 M HN 0.278 nan 8.290 nan 0.000 0.489 569 H N -0.227 118.643 119.070 -0.334 0.000 2.319 569 H HA -0.121 4.439 4.556 0.008 0.000 0.299 569 H C 1.733 176.799 175.328 -0.436 0.000 1.092 569 H CA 1.767 57.488 56.048 -0.546 0.000 1.302 569 H CB -0.347 28.814 29.762 -1.001 0.000 1.373 569 H HN 0.348 nan 8.280 nan 0.000 0.497 570 F N 0.490 120.400 119.950 -0.066 0.000 2.367 570 F HA -0.062 4.470 4.527 0.007 0.000 0.298 570 F C 2.589 178.306 175.800 -0.139 0.000 1.094 570 F CA 1.320 59.220 58.000 -0.167 0.000 1.409 570 F CB -0.950 37.783 39.000 -0.446 0.000 1.064 570 F HN 0.152 nan 8.300 nan 0.000 0.528 571 T N -2.550 112.008 114.554 0.008 0.000 3.100 571 T HA 0.165 4.519 4.350 0.007 0.000 0.253 571 T C 1.076 175.770 174.700 -0.010 0.000 1.118 571 T CA 0.320 62.447 62.100 0.045 0.000 1.058 571 T CB -0.481 68.493 68.868 0.177 0.000 0.953 571 T HN 0.322 nan 8.240 nan 0.000 0.515 572 L N -0.816 120.392 121.223 -0.025 0.000 4.800 572 L HA -0.213 4.132 4.340 0.007 0.000 0.412 572 L C 1.200 178.109 176.870 0.067 0.000 1.063 572 L CA 1.076 55.877 54.840 -0.066 0.000 1.114 572 L CB -2.194 39.669 42.059 -0.326 0.000 2.089 572 L HN 0.346 nan 8.230 nan 0.000 0.686 573 E N -0.816 119.484 120.200 0.166 0.000 2.385 573 E HA -0.080 4.274 4.350 0.007 0.000 0.194 573 E C 1.640 178.387 176.600 0.245 0.000 1.013 573 E CA 0.601 57.181 56.400 0.299 0.000 0.866 573 E CB 0.065 29.959 29.700 0.323 0.000 0.832 573 E HN 0.588 nan 8.360 nan 0.000 0.500 574 Y N 2.046 122.372 120.300 0.044 0.000 2.081 574 Y HA -0.206 4.349 4.550 0.007 0.000 0.280 574 Y C -0.917 174.971 175.900 -0.021 0.000 1.163 574 Y CA 2.032 60.115 58.100 -0.028 0.000 1.135 574 Y CB -0.872 37.497 38.460 -0.152 0.000 0.970 574 Y HN 0.069 nan 8.280 nan 0.000 0.498 575 P HA -0.142 nan 4.420 nan 0.000 0.214 575 P C 1.088 178.278 177.300 -0.182 0.000 1.162 575 P CA 2.106 65.209 63.100 0.005 0.000 0.879 575 P CB 0.010 31.738 31.700 0.047 0.000 0.786 576 N N -1.263 117.241 118.700 -0.326 0.000 2.244 576 N HA -0.112 4.632 4.740 0.007 0.000 0.183 576 N C 1.618 176.899 175.510 -0.382 0.000 1.016 576 N CA 0.973 53.652 53.050 -0.619 0.000 0.866 576 N CB -0.816 36.736 38.487 -1.559 0.000 0.980 576 N HN 0.068 nan 8.380 nan 0.000 0.430 577 M N 0.281 119.819 119.600 -0.104 0.000 2.080 577 M HA -0.040 4.444 4.480 0.007 0.000 0.260 577 M C 1.705 177.929 176.300 -0.126 0.000 1.068 577 M CA 1.323 56.647 55.300 0.040 0.000 1.109 577 M CB -0.167 32.451 32.600 0.030 0.000 1.342 577 M HN -0.018 nan 8.290 nan 0.000 0.405 578 M N -0.552 118.881 119.600 -0.278 0.000 2.175 578 M HA -0.141 4.343 4.480 0.007 0.000 0.264 578 M C 2.153 178.390 176.300 -0.105 0.000 1.063 578 M CA 1.656 56.807 55.300 -0.247 0.000 1.119 578 M CB -1.217 31.172 32.600 -0.352 0.000 1.377 578 M HN 0.314 nan 8.290 nan 0.000 0.415 579 R N -0.628 119.799 120.500 -0.121 0.000 2.096 579 R HA -0.147 4.198 4.340 0.007 0.000 0.235 579 R C 2.299 178.586 176.300 -0.022 0.000 1.127 579 R CA 1.221 57.279 56.100 -0.070 0.000 0.968 579 R CB -0.381 29.841 30.300 -0.128 0.000 0.861 579 R HN 0.195 nan 8.270 nan 0.000 0.440 580 R N 1.380 121.850 120.500 -0.050 0.000 2.066 580 R HA -0.039 4.305 4.340 0.007 0.000 0.232 580 R C 2.112 178.390 176.300 -0.037 0.000 1.131 580 R CA 1.327 57.413 56.100 -0.025 0.000 0.955 580 R CB -0.590 29.733 30.300 0.038 0.000 0.851 580 R HN 0.164 nan 8.270 nan 0.000 0.432 581 L N -0.135 121.069 121.223 -0.032 0.000 2.131 581 L HA -0.186 4.158 4.340 0.007 0.000 0.210 581 L C 2.625 179.471 176.870 -0.040 0.000 1.092 581 L CA 1.556 56.373 54.840 -0.039 0.000 0.759 581 L CB -0.784 41.254 42.059 -0.035 0.000 0.903 581 L HN 0.449 nan 8.230 nan 0.000 0.435 582 H N 1.408 120.426 119.070 -0.087 0.000 2.326 582 H HA -0.175 4.386 4.556 0.008 0.000 0.301 582 H C 1.945 177.185 175.328 -0.146 0.000 1.081 582 H CA 1.895 57.900 56.048 -0.072 0.000 1.334 582 H CB 0.249 29.978 29.762 -0.055 0.000 1.385 582 H HN 0.562 nan 8.280 nan 0.000 0.504 583 E N 0.537 120.616 120.200 -0.202 0.000 2.418 583 E HA -0.073 4.282 4.350 0.007 0.000 0.197 583 E C 1.802 178.077 176.600 -0.543 0.000 1.026 583 E CA 0.433 56.627 56.400 -0.343 0.000 0.862 583 E CB -0.158 29.460 29.700 -0.136 0.000 0.799 583 E HN 0.451 nan 8.360 nan 0.000 0.518 584 L N 0.443 121.437 121.223 -0.383 0.000 2.592 584 L HA 0.104 4.449 4.340 0.007 0.000 0.227 584 L C -0.094 176.626 176.870 -0.249 0.000 1.127 584 L CA -0.160 54.498 54.840 -0.304 0.000 0.884 584 L CB -0.428 41.551 42.059 -0.133 0.000 1.065 584 L HN 0.213 nan 8.230 nan 0.000 0.457 585 H N -1.454 117.535 119.070 -0.135 0.000 2.826 585 H HA -0.102 4.458 4.556 0.007 0.000 0.306 585 H C -0.178 175.105 175.328 -0.076 0.000 1.235 585 H CA 0.125 56.095 56.048 -0.131 0.000 1.150 585 H CB -2.145 27.556 29.762 -0.101 0.000 1.409 585 H HN 0.015 nan 8.280 nan 0.000 0.420 586 V N 1.019 120.937 119.914 0.007 0.000 2.432 586 V HA 0.082 4.206 4.120 0.007 0.000 0.271 586 V C 1.129 177.233 176.094 0.017 0.000 1.046 586 V CA -0.171 62.134 62.300 0.008 0.000 0.945 586 V CB 1.939 33.753 31.823 -0.015 0.000 0.992 586 V HN 0.238 nan 8.190 nan 0.000 0.471 587 E N 3.925 124.135 120.200 0.016 0.000 2.313 587 E HA 0.308 4.663 4.350 0.007 0.000 0.276 587 E C -0.634 175.969 176.600 0.005 0.000 1.031 587 E CA -0.244 56.164 56.400 0.014 0.000 0.857 587 E CB 1.144 30.847 29.700 0.006 0.000 1.040 587 E HN 0.695 nan 8.360 nan 0.000 0.408 588 E N 2.692 122.900 120.200 0.014 0.000 2.199 588 E HA 0.297 4.652 4.350 0.007 0.000 0.265 588 E C -1.046 175.557 176.600 0.005 0.000 0.882 588 E CA -0.708 55.700 56.400 0.014 0.000 0.759 588 E CB 1.419 31.142 29.700 0.038 0.000 1.148 588 E HN 0.076 nan 8.360 nan 0.000 0.412 589 L N 3.137 124.348 121.223 -0.021 0.000 2.387 589 L HA 0.409 4.753 4.340 0.007 0.000 0.259 589 L C 0.163 177.045 176.870 0.021 0.000 1.050 589 L CA -0.075 54.727 54.840 -0.063 0.000 0.922 589 L CB 0.858 42.800 42.059 -0.196 0.000 1.280 589 L HN 0.623 nan 8.230 nan 0.000 0.449 590 G N 0.744 109.599 108.800 0.092 0.000 2.572 590 G HA2 0.333 4.297 3.960 0.007 0.000 0.261 590 G HA3 0.333 4.297 3.960 0.007 0.000 0.261 590 G C -0.094 174.913 174.900 0.178 0.000 1.197 590 G CA -0.282 44.889 45.100 0.117 0.000 0.870 590 G HN 0.652 nan 8.290 nan 0.000 0.548 591 D N -0.876 119.546 120.400 0.037 0.000 2.870 591 D HA -0.132 4.512 4.640 0.007 0.000 0.228 591 D C -0.052 176.102 176.300 -0.242 0.000 1.147 591 D CA 1.443 55.376 54.000 -0.112 0.000 0.757 591 D CB -1.289 39.523 40.800 0.020 0.000 1.091 591 D HN 0.586 nan 8.370 nan 0.000 0.429 592 H N -1.711 117.237 119.070 -0.204 0.000 2.895 592 H HA 0.718 5.278 4.556 0.007 0.000 0.373 592 H C -0.612 174.572 175.328 -0.240 0.000 1.174 592 H CA -0.540 55.343 56.048 -0.276 0.000 1.144 592 H CB 1.444 31.087 29.762 -0.198 0.000 1.793 592 H HN -0.042 nan 8.280 nan 0.000 0.551 593 F N -0.089 119.454 119.950 -0.678 0.000 2.894 593 F HA 0.567 5.098 4.527 0.007 0.000 0.332 593 F C -0.995 174.457 175.800 -0.579 0.000 1.192 593 F CA -1.279 56.364 58.000 -0.595 0.000 0.980 593 F CB 1.383 40.049 39.000 -0.556 0.000 1.448 593 F HN 0.606 nan 8.300 nan 0.000 0.514 594 C N 1.397 120.145 119.300 -0.920 0.000 2.379 594 C HA 0.616 5.080 4.460 0.007 0.000 0.323 594 C C 0.784 175.718 174.990 -0.094 0.000 1.262 594 C CA 0.365 59.093 59.018 -0.483 0.000 1.581 594 C CB 0.188 27.559 27.740 -0.614 0.000 2.221 594 C HN 0.788 nan 8.230 nan 0.000 0.497 595 S N 3.999 119.747 115.700 0.079 0.000 2.497 595 S HA 0.243 4.718 4.470 0.007 0.000 0.221 595 S C 0.306 174.887 174.600 -0.030 0.000 1.037 595 S CA -0.257 57.994 58.200 0.085 0.000 0.920 595 S CB 0.003 63.252 63.200 0.083 0.000 0.800 595 S HN 0.957 nan 8.310 nan 0.000 0.505 596 R N -0.213 120.226 120.500 -0.101 0.000 2.687 596 R HA 0.633 4.978 4.340 0.007 0.000 0.265 596 R C -2.236 174.048 176.300 -0.027 0.000 1.048 596 R CA -0.882 55.190 56.100 -0.048 0.000 0.884 596 R CB 0.486 30.794 30.300 0.013 0.000 1.258 596 R HN 0.180 nan 8.270 nan 0.000 0.469 597 I N 1.084 121.706 120.570 0.087 0.000 2.509 597 I HA 0.450 4.624 4.170 0.007 0.000 0.293 597 I C -0.253 176.011 176.117 0.245 0.000 1.020 597 I CA -0.774 60.637 61.300 0.186 0.000 1.088 597 I CB 2.360 40.444 38.000 0.140 0.000 1.267 597 I HN 0.625 nan 8.210 nan 0.000 0.430 598 E N 5.233 125.618 120.200 0.307 0.000 2.393 598 E HA 0.461 4.816 4.350 0.007 0.000 0.265 598 E C -2.588 174.089 176.600 0.128 0.000 0.941 598 E CA -2.141 54.374 56.400 0.191 0.000 0.801 598 E CB 1.911 31.699 29.700 0.148 0.000 1.313 598 E HN 0.248 nan 8.360 nan 0.000 0.435 599 P HA 0.066 nan 4.420 nan 0.000 0.266 599 P C 0.208 177.394 177.300 -0.190 0.000 1.215 599 P CA 0.913 64.007 63.100 -0.010 0.000 0.763 599 P CB 0.325 32.019 31.700 -0.010 0.000 0.806 600 G N 2.691 111.206 108.800 -0.475 0.000 2.179 600 G HA2 -0.242 3.722 3.960 0.007 0.000 0.260 600 G HA3 -0.242 3.722 3.960 0.007 0.000 0.260 600 G C 0.056 174.345 174.900 -1.019 0.000 0.977 600 G CA 0.199 44.813 45.100 -0.811 0.000 0.641 600 G HN 0.805 nan 8.290 nan 0.000 0.533 601 R N -1.144 118.889 120.500 -0.778 0.000 2.664 601 R HA 0.721 5.065 4.340 0.007 0.000 0.266 601 R C -0.614 175.886 176.300 0.332 0.000 1.046 601 R CA -0.729 55.265 56.100 -0.176 0.000 0.885 601 R CB 0.822 31.154 30.300 0.052 0.000 1.254 601 R HN 0.782 nan 8.270 nan 0.000 0.465 602 M N -0.349 119.514 119.600 0.438 0.000 2.484 602 M HA 0.510 4.994 4.480 0.007 0.000 0.289 602 M C -1.228 174.927 176.300 -0.242 0.000 1.206 602 M CA -0.898 54.530 55.300 0.213 0.000 0.892 602 M CB 2.755 35.483 32.600 0.213 0.000 1.712 602 M HN 0.726 nan 8.290 nan 0.000 0.462 603 E N 3.550 123.270 120.200 -0.800 0.000 2.146 603 E HA 0.627 4.981 4.350 0.007 0.000 0.282 603 E C -1.275 175.101 176.600 -0.372 0.000 0.989 603 E CA -0.712 55.065 56.400 -1.038 0.000 0.799 603 E CB 1.221 30.049 29.700 -1.454 0.000 1.088 603 E HN 0.733 nan 8.360 nan 0.000 0.397 604 I N 1.596 122.037 120.570 -0.214 0.000 2.863 604 I HA 0.670 4.844 4.170 0.007 0.000 0.311 604 I C -1.202 174.947 176.117 0.054 0.000 1.026 604 I CA -1.098 60.150 61.300 -0.087 0.000 1.077 604 I CB 1.474 39.416 38.000 -0.098 0.000 1.262 604 I HN 0.515 nan 8.210 nan 0.000 0.461 605 Y N 0.806 121.071 120.300 -0.058 0.000 2.571 605 Y HA 0.495 5.050 4.550 0.007 0.000 0.341 605 Y C -1.065 174.653 175.900 -0.305 0.000 1.076 605 Y CA -1.322 56.634 58.100 -0.239 0.000 1.029 605 Y CB 0.600 38.746 38.460 -0.522 0.000 1.308 605 Y HN 0.674 nan 8.280 nan 0.000 0.461 606 N N 2.604 121.078 118.700 -0.376 0.000 2.497 606 N HA 0.111 4.855 4.740 0.007 0.000 0.271 606 N C 0.891 176.192 175.510 -0.348 0.000 1.142 606 N CA 0.021 52.669 53.050 -0.669 0.000 0.965 606 N CB 1.048 39.291 38.487 -0.407 0.000 1.077 606 N HN 0.977 nan 8.380 nan 0.000 0.462 607 I N -0.059 120.173 120.570 -0.563 0.000 3.001 607 I HA 0.076 4.251 4.170 0.007 0.000 0.268 607 I C 0.203 175.931 176.117 -0.648 0.000 1.267 607 I CA 0.367 61.317 61.300 -0.582 0.000 1.472 607 I CB -0.177 37.307 38.000 -0.861 0.000 1.089 607 I HN 0.379 nan 8.210 nan 0.000 0.468 608 W N 1.506 122.774 121.300 -0.053 0.000 2.937 608 W HA 0.509 5.174 4.660 0.008 0.000 0.435 608 W C 1.762 178.266 176.519 -0.026 0.000 0.912 608 W CA -0.568 56.760 57.345 -0.029 0.000 2.209 608 W CB 0.650 30.092 29.460 -0.029 0.000 1.144 608 W HN 0.037 nan 8.180 nan 0.000 0.762 609 G N -0.414 108.448 108.800 0.103 0.000 2.777 609 G HA2 -0.076 3.889 3.960 0.007 0.000 0.211 609 G HA3 -0.076 3.889 3.960 0.007 0.000 0.211 609 G C 0.410 175.345 174.900 0.060 0.000 1.149 609 G CA -0.044 45.088 45.100 0.054 0.000 0.785 609 G HN 0.070 nan 8.290 nan 0.000 0.536 610 D N 0.746 121.193 120.400 0.080 0.000 2.360 610 D HA 0.290 4.935 4.640 0.007 0.000 0.242 610 D C 0.902 177.246 176.300 0.073 0.000 1.184 610 D CA 0.051 54.090 54.000 0.066 0.000 0.930 610 D CB 1.338 42.178 40.800 0.068 0.000 1.161 610 D HN 0.077 nan 8.370 nan 0.000 0.447 611 G N -0.334 108.498 108.800 0.053 0.000 2.414 611 G HA2 0.085 4.050 3.960 0.007 0.000 0.236 611 G HA3 0.085 4.050 3.960 0.007 0.000 0.236 611 G C 1.105 176.036 174.900 0.051 0.000 1.293 611 G CA -0.161 44.967 45.100 0.046 0.000 0.869 611 G HN 0.383 nan 8.290 nan 0.000 0.556 612 S N 1.016 116.741 115.700 0.042 0.000 2.461 612 S HA 0.035 4.510 4.470 0.007 0.000 0.228 612 S C 0.887 175.504 174.600 0.027 0.000 1.005 612 S CA 0.545 58.765 58.200 0.033 0.000 0.942 612 S CB 0.097 63.306 63.200 0.016 0.000 0.776 612 S HN 0.537 nan 8.310 nan 0.000 0.514 613 K N 1.938 122.354 120.400 0.027 0.000 2.201 613 K HA 0.318 4.642 4.320 0.007 0.000 0.278 613 K C -0.319 176.300 176.600 0.031 0.000 1.027 613 K CA -0.549 55.753 56.287 0.025 0.000 0.909 613 K CB 1.062 33.574 32.500 0.021 0.000 1.062 613 K HN 0.107 nan 8.250 nan 0.000 0.465 614 R N 2.524 123.045 120.500 0.034 0.000 2.229 614 R HA 0.243 4.587 4.340 0.007 0.000 0.328 614 R C -1.153 175.177 176.300 0.051 0.000 1.009 614 R CA 0.001 56.127 56.100 0.044 0.000 0.864 614 R CB 1.099 31.428 30.300 0.048 0.000 1.085 614 R HN 0.566 nan 8.270 nan 0.000 0.453 615 T N 4.314 118.901 114.554 0.054 0.000 2.886 615 T HA 0.149 4.503 4.350 0.007 0.000 0.292 615 T C -1.338 173.414 174.700 0.086 0.000 1.012 615 T CA -0.425 61.714 62.100 0.065 0.000 0.982 615 T CB 0.893 69.781 68.868 0.033 0.000 1.018 615 T HN 0.419 nan 8.240 nan 0.000 0.451 616 Y N 4.673 124.978 120.300 0.009 0.000 2.584 616 Y HA 0.228 4.782 4.550 0.007 0.000 0.351 616 Y C 1.243 177.148 175.900 0.008 0.000 1.030 616 Y CA -0.672 57.433 58.100 0.008 0.000 1.332 616 Y CB 0.287 38.752 38.460 0.007 0.000 1.148 616 Y HN 0.472 nan 8.280 nan 0.000 0.528 617 R N 4.239 124.444 120.500 -0.491 0.000 2.546 617 R HA 0.386 4.730 4.340 0.007 0.000 0.320 617 R C 0.637 176.635 176.300 -0.504 0.000 1.021 617 R CA 0.314 56.192 56.100 -0.371 0.000 1.088 617 R CB -0.133 30.058 30.300 -0.180 0.000 1.278 617 R HN 0.876 nan 8.270 nan 0.000 0.557 618 G N 2.846 111.019 108.800 -1.045 0.000 2.756 618 G HA2 -0.199 3.766 3.960 0.007 0.000 0.678 618 G HA3 -0.199 3.766 3.960 0.007 0.000 0.678 618 G C -2.750 171.968 174.900 -0.304 0.000 1.349 618 G CA -0.992 43.712 45.100 -0.659 0.000 0.847 618 G HN 0.102 nan 8.290 nan 0.000 0.548 619 P HA 0.448 nan 4.420 nan 0.000 0.274 619 P C 1.085 178.360 177.300 -0.041 0.000 1.231 619 P CA 1.546 64.630 63.100 -0.026 0.000 0.790 619 P CB 0.966 32.679 31.700 0.022 0.000 0.951 620 G N -0.000 108.785 108.800 -0.024 0.000 2.217 620 G HA2 -0.183 3.781 3.960 0.007 0.000 0.246 620 G HA3 -0.183 3.781 3.960 0.007 0.000 0.246 620 G C -0.261 174.619 174.900 -0.033 0.000 0.990 620 G CA 0.130 45.215 45.100 -0.024 0.000 0.627 620 G HN 0.782 nan 8.290 nan 0.000 0.522 621 V N 0.600 120.484 119.914 -0.050 0.000 2.760 621 V HA 0.802 4.926 4.120 0.007 0.000 0.309 621 V C 0.529 176.593 176.094 -0.049 0.000 1.077 621 V CA 0.345 62.614 62.300 -0.052 0.000 0.910 621 V CB 1.786 33.568 31.823 -0.068 0.000 1.008 621 V HN 1.100 nan 8.190 nan 0.000 0.424 622 S N 6.829 122.511 115.700 -0.029 0.000 2.568 622 S HA 0.315 4.790 4.470 0.007 0.000 0.282 622 S C -1.463 173.126 174.600 -0.018 0.000 1.338 622 S CA -0.219 57.972 58.200 -0.014 0.000 1.045 622 S CB 1.064 64.261 63.200 -0.005 0.000 0.873 622 S HN 0.834 nan 8.310 nan 0.000 0.516 623 P HA 0.134 nan 4.420 nan 0.000 0.253 623 P C -0.500 176.812 177.300 0.019 0.000 1.260 623 P CA 0.232 63.338 63.100 0.011 0.000 0.800 623 P CB 0.051 31.783 31.700 0.052 0.000 1.162 624 R N -0.330 120.180 120.500 0.017 0.000 2.795 624 R HA 0.388 4.732 4.340 0.007 0.000 0.275 624 R C -0.559 175.751 176.300 0.017 0.000 0.981 624 R CA -1.003 55.112 56.100 0.024 0.000 0.917 624 R CB 0.884 31.207 30.300 0.037 0.000 1.202 624 R HN -0.155 nan 8.270 nan 0.000 0.469 625 D N 1.141 121.553 120.400 0.020 0.000 2.378 625 D HA 0.120 4.764 4.640 0.007 0.000 0.238 625 D C 0.111 176.425 176.300 0.023 0.000 1.180 625 D CA 0.332 54.343 54.000 0.019 0.000 0.895 625 D CB 0.603 41.416 40.800 0.023 0.000 1.192 625 D HN 0.576 nan 8.370 nan 0.000 0.438 626 A N 1.804 124.637 122.820 0.021 0.000 2.407 626 A HA 0.072 4.397 4.320 0.007 0.000 0.248 626 A C 0.627 178.233 177.584 0.038 0.000 1.082 626 A CA -0.374 51.678 52.037 0.025 0.000 0.785 626 A CB 0.112 19.127 19.000 0.025 0.000 1.020 626 A HN 0.472 nan 8.150 nan 0.000 0.489 627 N N 0.887 119.608 118.700 0.036 0.000 2.468 627 N HA 0.071 4.815 4.740 0.007 0.000 0.265 627 N C 0.206 175.768 175.510 0.087 0.000 1.199 627 N CA 0.686 53.749 53.050 0.022 0.000 0.928 627 N CB 0.789 39.243 38.487 -0.055 0.000 1.059 627 N HN 0.500 nan 8.380 nan 0.000 0.467 628 T N 0.606 115.194 114.554 0.056 0.000 3.145 628 T HA 0.042 4.396 4.350 0.007 0.000 0.281 628 T C 1.112 175.869 174.700 0.095 0.000 1.003 628 T CA -0.042 62.131 62.100 0.123 0.000 0.901 628 T CB -0.091 68.827 68.868 0.083 0.000 1.112 628 T HN 0.609 nan 8.240 nan 0.000 0.535 629 S N 0.282 115.950 115.700 -0.053 0.000 2.605 629 S HA 0.125 4.599 4.470 0.007 0.000 0.217 629 S C 0.519 175.088 174.600 -0.052 0.000 0.958 629 S CA -0.479 57.691 58.200 -0.050 0.000 0.919 629 S CB -0.450 62.708 63.200 -0.070 0.000 0.780 629 S HN 0.527 nan 8.310 nan 0.000 0.507 630 H N 3.177 122.291 119.070 0.074 0.000 2.897 630 H HA 0.368 4.929 4.556 0.008 0.000 0.347 630 H C 0.668 176.018 175.328 0.037 0.000 1.068 630 H CA 0.334 56.409 56.048 0.045 0.000 1.426 630 H CB 0.381 30.137 29.762 -0.011 0.000 1.410 630 H HN 0.561 nan 8.280 nan 0.000 0.597 631 R N 1.536 122.085 120.500 0.082 0.000 2.680 631 R HA 0.271 4.616 4.340 0.007 0.000 0.269 631 R C -1.890 174.392 176.300 -0.030 0.000 1.026 631 R CA -1.000 55.159 56.100 0.097 0.000 0.889 631 R CB 1.033 31.399 30.300 0.111 0.000 1.241 631 R HN 0.307 nan 8.270 nan 0.000 0.463 632 W N 3.032 124.373 121.300 0.068 0.000 2.376 632 W HA 0.550 5.214 4.660 0.007 0.000 0.322 632 W C 0.419 176.956 176.519 0.031 0.000 1.160 632 W CA -0.463 56.911 57.345 0.049 0.000 1.218 632 W CB 1.034 30.509 29.460 0.025 0.000 1.205 632 W HN 0.573 nan 8.180 nan 0.000 0.559 633 I N -1.104 119.593 120.570 0.211 0.000 2.785 633 I HA 0.606 4.780 4.170 0.007 0.000 0.302 633 I C -0.415 175.802 176.117 0.166 0.000 1.069 633 I CA -1.342 60.050 61.300 0.154 0.000 1.045 633 I CB 2.128 40.180 38.000 0.086 0.000 1.236 633 I HN 0.320 nan 8.210 nan 0.000 0.429 634 E N 3.096 123.350 120.200 0.091 0.000 2.250 634 E HA 0.633 4.988 4.350 0.007 0.000 0.269 634 E C -1.506 175.138 176.600 0.074 0.000 1.018 634 E CA -0.605 55.780 56.400 -0.024 0.000 0.873 634 E CB 2.036 31.702 29.700 -0.055 0.000 1.134 634 E HN 0.550 nan 8.360 nan 0.000 0.403 635 F N -1.318 118.651 119.950 0.031 0.000 2.645 635 F HA 0.420 4.952 4.527 0.007 0.000 0.310 635 F C 0.010 175.821 175.800 0.018 0.000 1.102 635 F CA -1.004 57.006 58.000 0.017 0.000 0.952 635 F CB 0.866 39.868 39.000 0.004 0.000 1.326 635 F HN 0.192 nan 8.300 nan 0.000 0.456 636 D N 0.517 121.078 120.400 0.268 0.000 2.201 636 D HA 0.102 4.747 4.640 0.007 0.000 0.209 636 D C 0.006 176.495 176.300 0.315 0.000 0.961 636 D CA 1.230 55.349 54.000 0.199 0.000 0.861 636 D CB 0.391 41.269 40.800 0.130 0.000 0.997 636 D HN 0.407 nan 8.370 nan 0.000 0.486 637 S N -0.099 115.774 115.700 0.288 0.000 2.536 637 S HA 0.498 4.973 4.470 0.007 0.000 0.287 637 S C -1.005 173.519 174.600 -0.126 0.000 1.101 637 S CA -0.697 57.584 58.200 0.136 0.000 0.950 637 S CB 2.557 65.764 63.200 0.012 0.000 1.056 637 S HN 0.043 nan 8.310 nan 0.000 0.481 638 L N 3.747 124.718 121.223 -0.421 0.000 2.287 638 L HA 0.670 5.014 4.340 0.007 0.000 0.287 638 L C -1.206 175.454 176.870 -0.350 0.000 1.022 638 L CA -0.381 54.045 54.840 -0.690 0.000 0.814 638 L CB 1.200 42.572 42.059 -1.146 0.000 1.217 638 L HN 0.447 nan 8.230 nan 0.000 0.420 639 V N 6.752 126.494 119.914 -0.287 0.000 2.350 639 V HA 0.348 4.473 4.120 0.007 0.000 0.276 639 V C 0.127 176.100 176.094 -0.201 0.000 1.028 639 V CA -0.519 61.649 62.300 -0.219 0.000 0.860 639 V CB 1.269 32.964 31.823 -0.212 0.000 0.990 639 V HN 0.584 nan 8.190 nan 0.000 0.453 640 L N 5.767 126.896 121.223 -0.156 0.000 2.261 640 L HA 0.420 4.764 4.340 0.007 0.000 0.289 640 L C -0.183 176.633 176.870 -0.090 0.000 1.059 640 L CA -0.261 54.520 54.840 -0.097 0.000 0.816 640 L CB 1.272 43.308 42.059 -0.037 0.000 1.191 640 L HN 0.428 nan 8.230 nan 0.000 0.431 641 V N 2.008 121.872 119.914 -0.084 0.000 2.326 641 V HA 0.070 4.194 4.120 0.007 0.000 0.254 641 V C 1.045 177.219 176.094 0.133 0.000 1.022 641 V CA 0.050 62.279 62.300 -0.118 0.000 1.074 641 V CB 0.510 32.152 31.823 -0.302 0.000 1.305 641 V HN 0.921 nan 8.190 nan 0.000 0.506 642 T N -2.244 112.464 114.554 0.257 0.000 3.014 642 T HA 0.560 4.914 4.350 0.007 0.000 0.250 642 T C 0.829 175.680 174.700 0.251 0.000 1.060 642 T CA 0.545 62.795 62.100 0.250 0.000 1.040 642 T CB 1.003 70.007 68.868 0.226 0.000 0.971 642 T HN 1.011 nan 8.240 nan 0.000 0.497 643 G N 0.254 109.257 108.800 0.338 0.000 2.336 643 G HA2 0.439 4.403 3.960 0.007 0.000 0.300 643 G HA3 0.439 4.403 3.960 0.007 0.000 0.300 643 G C -1.905 172.882 174.900 -0.189 0.000 1.375 643 G CA -1.248 43.898 45.100 0.076 0.000 0.885 643 G HN 0.344 nan 8.290 nan 0.000 0.599 644 R N -0.220 120.024 120.500 -0.425 0.000 2.873 644 R HA 0.695 5.039 4.340 0.007 0.000 0.264 644 R C -0.626 175.528 176.300 -0.243 0.000 1.026 644 R CA -1.040 54.715 56.100 -0.576 0.000 1.002 644 R CB 1.966 31.712 30.300 -0.924 0.000 1.174 644 R HN 0.851 nan 8.270 nan 0.000 0.488 645 H N -1.678 117.252 119.070 -0.232 0.000 2.768 645 H HA 0.392 4.953 4.556 0.007 0.000 0.371 645 H C -1.085 174.164 175.328 -0.131 0.000 1.151 645 H CA -0.855 55.110 56.048 -0.138 0.000 1.165 645 H CB 1.498 31.216 29.762 -0.073 0.000 1.722 645 H HN 0.327 nan 8.280 nan 0.000 0.543 646 S N 1.261 116.958 115.700 -0.006 0.000 2.549 646 S HA -0.021 4.453 4.470 0.007 0.000 0.283 646 S C 0.475 175.098 174.600 0.040 0.000 1.320 646 S CA -0.269 57.906 58.200 -0.042 0.000 1.058 646 S CB 0.458 63.641 63.200 -0.028 0.000 0.882 646 S HN 0.609 nan 8.310 nan 0.000 0.498 647 E N 1.804 121.998 120.200 -0.009 0.000 1.998 647 E HA 0.229 4.583 4.350 0.007 0.000 0.257 647 E C -0.058 176.579 176.600 0.062 0.000 1.038 647 E CA -0.698 55.730 56.400 0.046 0.000 0.869 647 E CB -0.633 29.070 29.700 0.005 0.000 1.135 647 E HN 0.655 nan 8.360 nan 0.000 0.430 648 C N 1.518 120.879 119.300 0.102 0.000 2.859 648 C HA 0.400 4.864 4.460 0.007 0.000 0.256 648 C C 1.607 176.721 174.990 0.206 0.000 1.660 648 C CA -0.119 58.992 59.018 0.155 0.000 1.755 648 C CB -0.890 26.932 27.740 0.137 0.000 3.127 648 C HN 0.562 nan 8.230 nan 0.000 0.494 649 T N 0.433 115.073 114.554 0.142 0.000 2.857 649 T HA -0.064 4.290 4.350 0.007 0.000 0.266 649 T C 1.720 176.487 174.700 0.113 0.000 1.048 649 T CA 1.682 63.851 62.100 0.116 0.000 1.139 649 T CB -0.312 68.604 68.868 0.080 0.000 0.874 649 T HN 0.685 nan 8.240 nan 0.000 0.455 650 L N 0.317 121.612 121.223 0.120 0.000 1.970 650 L HA -0.086 4.258 4.340 0.007 0.000 0.212 650 L C 2.457 179.410 176.870 0.139 0.000 1.071 650 L CA 2.215 57.118 54.840 0.105 0.000 0.751 650 L CB -0.640 41.477 42.059 0.096 0.000 0.889 650 L HN 0.598 nan 8.230 nan 0.000 0.432 651 W N 1.204 122.519 121.300 0.025 0.000 2.304 651 W HA -0.315 4.350 4.660 0.008 0.000 0.315 651 W C 2.201 178.767 176.519 0.077 0.000 1.233 651 W CA 2.020 59.392 57.345 0.045 0.000 1.261 651 W CB -0.527 28.958 29.460 0.042 0.000 1.150 651 W HN 0.356 nan 8.180 nan 0.000 0.494 652 N N 0.705 119.444 118.700 0.064 0.000 2.120 652 N HA -0.185 4.559 4.740 0.007 0.000 0.188 652 N C 1.597 177.046 175.510 -0.101 0.000 1.024 652 N CA 2.003 55.026 53.050 -0.046 0.000 0.852 652 N CB -0.722 37.815 38.487 0.084 0.000 1.003 652 N HN 0.426 nan 8.380 nan 0.000 0.424 653 E N 0.643 120.820 120.200 -0.039 0.000 2.051 653 E HA -0.068 4.286 4.350 0.007 0.000 0.192 653 E C 2.122 178.698 176.600 -0.040 0.000 0.991 653 E CA 0.608 56.991 56.400 -0.029 0.000 0.799 653 E CB -0.106 29.596 29.700 0.003 0.000 0.748 653 E HN 0.251 nan 8.360 nan 0.000 0.449 654 L N 0.849 122.043 121.223 -0.049 0.000 2.079 654 L HA -0.228 4.116 4.340 0.007 0.000 0.210 654 L C 2.424 179.356 176.870 0.104 0.000 1.081 654 L CA 0.981 55.847 54.840 0.043 0.000 0.752 654 L CB -0.309 41.715 42.059 -0.059 0.000 0.896 654 L HN 0.039 nan 8.230 nan 0.000 0.433 655 K N -0.051 120.206 120.400 -0.237 0.000 2.062 655 K HA -0.036 4.288 4.320 0.007 0.000 0.205 655 K C 2.219 178.653 176.600 -0.277 0.000 1.051 655 K CA 1.285 57.362 56.287 -0.350 0.000 0.941 655 K CB -0.466 31.699 32.500 -0.558 0.000 0.719 655 K HN 0.244 nan 8.250 nan 0.000 0.440 656 A N 1.644 124.355 122.820 -0.182 0.000 1.927 656 A HA -0.199 4.125 4.320 0.007 0.000 0.220 656 A C 1.618 179.118 177.584 -0.141 0.000 1.185 656 A CA 1.564 53.522 52.037 -0.132 0.000 0.639 656 A CB -0.360 18.593 19.000 -0.078 0.000 0.820 656 A HN 0.299 nan 8.150 nan 0.000 0.451 657 R N -0.719 119.718 120.500 -0.106 0.000 2.893 657 R HA 0.206 4.551 4.340 0.007 0.000 0.317 657 R C 1.016 177.199 176.300 -0.196 0.000 1.239 657 R CA 0.097 56.150 56.100 -0.078 0.000 1.128 657 R CB 0.079 30.393 30.300 0.024 0.000 1.377 657 R HN 0.696 nan 8.270 nan 0.000 0.583 658 E N 0.942 120.827 120.200 -0.525 0.000 2.153 658 E HA -0.166 4.189 4.350 0.007 0.000 0.194 658 E C 1.238 177.378 176.600 -0.767 0.000 0.988 658 E CA 1.513 57.146 56.400 -1.279 0.000 0.811 658 E CB 0.257 29.239 29.700 -1.196 0.000 0.746 658 E HN 0.353 nan 8.360 nan 0.000 0.466 659 S N 0.908 116.382 115.700 -0.377 0.000 2.387 659 S HA -0.235 4.239 4.470 0.007 0.000 0.230 659 S C 1.576 176.120 174.600 -0.094 0.000 1.035 659 S CA 1.515 59.597 58.200 -0.196 0.000 1.014 659 S CB -0.399 62.724 63.200 -0.129 0.000 0.836 659 S HN 0.359 nan 8.310 nan 0.000 0.466 660 E N -0.276 119.903 120.200 -0.035 0.000 2.435 660 E HA -0.010 4.344 4.350 0.007 0.000 0.195 660 E C 1.336 178.060 176.600 0.206 0.000 1.029 660 E CA 0.233 56.680 56.400 0.079 0.000 0.865 660 E CB -0.112 29.645 29.700 0.094 0.000 0.833 660 E HN 0.582 nan 8.360 nan 0.000 0.510 661 W N 1.551 122.819 121.300 -0.052 0.000 2.332 661 W HA -0.125 4.540 4.660 0.007 0.000 0.321 661 W C 2.632 179.131 176.519 -0.033 0.000 1.219 661 W CA 1.087 58.401 57.345 -0.052 0.000 1.277 661 W CB -1.239 28.180 29.460 -0.068 0.000 1.161 661 W HN 0.083 nan 8.180 nan 0.000 0.476 662 A N 0.268 123.220 122.820 0.219 0.000 1.908 662 A HA -0.268 4.056 4.320 0.007 0.000 0.218 662 A C 1.860 179.493 177.584 0.082 0.000 1.181 662 A CA 2.125 54.235 52.037 0.121 0.000 0.627 662 A CB -0.966 18.078 19.000 0.073 0.000 0.818 662 A HN 0.448 nan 8.150 nan 0.000 0.445 663 E N -0.103 120.139 120.200 0.071 0.000 2.147 663 E HA -0.191 4.163 4.350 0.007 0.000 0.199 663 E C 0.891 177.518 176.600 0.045 0.000 1.005 663 E CA 1.262 57.691 56.400 0.048 0.000 0.810 663 E CB -0.231 29.493 29.700 0.040 0.000 0.736 663 E HN 0.600 nan 8.360 nan 0.000 0.460 664 N N 0.666 119.402 118.700 0.059 0.000 2.268 664 N HA -0.036 4.708 4.740 0.007 0.000 0.204 664 N C -0.674 174.854 175.510 0.030 0.000 1.124 664 N CA 0.278 53.351 53.050 0.038 0.000 0.838 664 N CB 0.647 39.155 38.487 0.035 0.000 0.994 664 N HN 0.068 nan 8.380 nan 0.000 0.489 665 D N 0.500 120.925 120.400 0.043 0.000 2.981 665 D HA -0.174 4.470 4.640 0.007 0.000 0.223 665 D C -0.100 176.218 176.300 0.030 0.000 1.151 665 D CA 0.640 54.662 54.000 0.038 0.000 0.827 665 D CB -1.493 39.322 40.800 0.025 0.000 1.101 665 D HN 0.412 nan 8.370 nan 0.000 0.426 666 I N 0.811 121.397 120.570 0.028 0.000 2.322 666 I HA 0.042 4.217 4.170 0.007 0.000 0.292 666 I C 1.699 177.832 176.117 0.026 0.000 1.060 666 I CA -0.133 61.148 61.300 -0.031 0.000 1.309 666 I CB 0.881 38.784 38.000 -0.161 0.000 1.415 666 I HN -0.223 nan 8.210 nan 0.000 0.492 667 K N 4.185 124.595 120.400 0.016 0.000 2.288 667 K HA 0.160 4.485 4.320 0.007 0.000 0.201 667 K C 0.748 177.395 176.600 0.078 0.000 1.048 667 K CA 0.170 56.499 56.287 0.070 0.000 0.956 667 K CB 0.210 32.758 32.500 0.080 0.000 0.746 667 K HN 0.856 nan 8.250 nan 0.000 0.461 668 G N 0.329 109.078 108.800 -0.085 0.000 2.429 668 G HA2 0.386 4.350 3.960 0.007 0.000 0.300 668 G HA3 0.386 4.350 3.960 0.007 0.000 0.300 668 G C -1.766 172.657 174.900 -0.796 0.000 1.598 668 G CA -0.922 44.027 45.100 -0.252 0.000 0.863 668 G HN -0.007 nan 8.290 nan 0.000 0.614 669 I N 1.090 121.103 120.570 -0.929 0.000 2.466 669 I HA 0.504 4.678 4.170 0.007 0.000 0.289 669 I C -1.063 174.789 176.117 -0.442 0.000 1.026 669 I CA -0.908 59.890 61.300 -0.837 0.000 1.078 669 I CB 2.006 39.443 38.000 -0.938 0.000 1.249 669 I HN 0.442 nan 8.210 nan 0.000 0.429 670 Y N 5.649 126.050 120.300 0.168 0.000 2.485 670 Y HA 0.658 5.212 4.550 0.007 0.000 0.345 670 Y C -0.586 175.251 175.900 -0.105 0.000 0.998 670 Y CA -1.282 56.871 58.100 0.089 0.000 1.059 670 Y CB 1.548 40.009 38.460 0.002 0.000 1.234 670 Y HN 0.320 nan 8.280 nan 0.000 0.461 671 L N 5.218 126.280 121.223 -0.269 0.000 2.313 671 L HA 0.750 5.095 4.340 0.007 0.000 0.283 671 L C -0.694 176.024 176.870 -0.255 0.000 1.013 671 L CA -0.694 53.837 54.840 -0.516 0.000 0.816 671 L CB 0.712 41.995 42.059 -1.293 0.000 1.236 671 L HN 0.664 nan 8.230 nan 0.000 0.419 672 I N 1.970 122.446 120.570 -0.158 0.000 3.145 672 I HA 1.028 5.203 4.170 0.007 0.000 0.313 672 I C 0.574 176.653 176.117 -0.063 0.000 1.122 672 I CA -0.271 60.978 61.300 -0.085 0.000 0.987 672 I CB 1.768 39.741 38.000 -0.044 0.000 1.236 672 I HN 0.882 nan 8.210 nan 0.000 0.453 673 G N 2.440 111.228 108.800 -0.019 0.000 2.569 673 G HA2 -0.251 3.714 3.960 0.007 0.000 0.259 673 G HA3 -0.251 3.714 3.960 0.007 0.000 0.259 673 G C 0.142 175.023 174.900 -0.031 0.000 1.263 673 G CA 0.566 45.667 45.100 0.002 0.000 0.928 673 G HN 0.851 nan 8.290 nan 0.000 0.572 674 D N 0.548 120.924 120.400 -0.041 0.000 2.263 674 D HA 0.079 4.724 4.640 0.007 0.000 0.208 674 D C 2.628 178.865 176.300 -0.104 0.000 0.971 674 D CA 1.697 55.641 54.000 -0.093 0.000 0.867 674 D CB -0.541 40.170 40.800 -0.149 0.000 0.929 674 D HN 0.822 nan 8.370 nan 0.000 0.492 675 A N 0.714 123.480 122.820 -0.089 0.000 2.015 675 A HA -0.170 4.154 4.320 0.007 0.000 0.219 675 A C 2.099 179.602 177.584 -0.136 0.000 1.163 675 A CA 1.144 53.125 52.037 -0.094 0.000 0.646 675 A CB -0.265 18.686 19.000 -0.081 0.000 0.806 675 A HN 0.185 nan 8.150 nan 0.000 0.448 676 E N -0.709 119.402 120.200 -0.150 0.000 2.033 676 E HA 0.263 4.618 4.350 0.007 0.000 0.189 676 E C 0.326 176.867 176.600 -0.099 0.000 0.979 676 E CA 0.827 57.128 56.400 -0.165 0.000 0.802 676 E CB 0.097 29.707 29.700 -0.151 0.000 0.763 676 E HN 0.514 nan 8.360 nan 0.000 0.449 677 A N 0.822 123.595 122.820 -0.078 0.000 2.555 677 A HA 0.445 4.770 4.320 0.007 0.000 0.297 677 A C -2.846 174.690 177.584 -0.081 0.000 1.060 677 A CA -1.235 50.762 52.037 -0.068 0.000 0.710 677 A CB 1.267 20.239 19.000 -0.046 0.000 1.282 677 A HN -0.089 nan 8.150 nan 0.000 0.399 678 P HA 0.399 nan 4.420 nan 0.000 0.265 678 P C -0.401 176.836 177.300 -0.105 0.000 1.193 678 P CA 0.346 63.352 63.100 -0.156 0.000 0.765 678 P CB 0.403 31.960 31.700 -0.237 0.000 0.823 679 R N 1.433 121.884 120.500 -0.082 0.000 2.762 679 R HA 0.568 4.912 4.340 0.007 0.000 0.271 679 R C -1.204 175.107 176.300 0.018 0.000 1.038 679 R CA -1.204 54.880 56.100 -0.027 0.000 0.906 679 R CB 0.078 30.378 30.300 -0.000 0.000 1.259 679 R HN -0.016 nan 8.270 nan 0.000 0.457 680 L N 1.503 122.754 121.223 0.045 0.000 2.483 680 L HA 0.112 4.456 4.340 0.007 0.000 0.276 680 L C 1.675 178.613 176.870 0.113 0.000 1.213 680 L CA 0.257 55.162 54.840 0.108 0.000 0.843 680 L CB -0.011 42.094 42.059 0.078 0.000 1.107 680 L HN 0.682 nan 8.230 nan 0.000 0.487 681 I N 1.763 122.415 120.570 0.138 0.000 2.264 681 I HA -0.330 3.845 4.170 0.007 0.000 0.248 681 I C 2.271 178.413 176.117 0.042 0.000 1.111 681 I CA 1.459 62.804 61.300 0.074 0.000 1.382 681 I CB -0.219 37.762 38.000 -0.030 0.000 1.060 681 I HN 0.864 nan 8.210 nan 0.000 0.418 682 A N 0.343 123.192 122.820 0.050 0.000 1.908 682 A HA -0.239 4.085 4.320 0.007 0.000 0.218 682 A C 1.967 179.632 177.584 0.135 0.000 1.181 682 A CA 2.127 54.211 52.037 0.077 0.000 0.627 682 A CB -0.467 18.564 19.000 0.051 0.000 0.818 682 A HN 0.352 nan 8.150 nan 0.000 0.445 683 D N -0.525 119.945 120.400 0.116 0.000 2.249 683 D HA 0.147 4.791 4.640 0.007 0.000 0.205 683 D C 2.206 178.638 176.300 0.221 0.000 0.962 683 D CA 1.064 55.161 54.000 0.161 0.000 0.860 683 D CB -0.265 40.577 40.800 0.071 0.000 0.955 683 D HN 0.397 nan 8.370 nan 0.000 0.505 684 A N 0.763 123.675 122.820 0.153 0.000 1.883 684 A HA -0.194 4.130 4.320 0.007 0.000 0.217 684 A C 2.362 180.046 177.584 0.167 0.000 1.186 684 A CA 2.560 54.679 52.037 0.137 0.000 0.624 684 A CB -1.054 18.018 19.000 0.120 0.000 0.822 684 A HN 0.338 nan 8.150 nan 0.000 0.444 685 T N -2.824 111.849 114.554 0.198 0.000 2.951 685 T HA -0.123 4.231 4.350 0.007 0.000 0.268 685 T C 1.662 176.510 174.700 0.248 0.000 1.073 685 T CA 1.470 63.709 62.100 0.231 0.000 1.134 685 T CB -0.470 68.595 68.868 0.329 0.000 0.884 685 T HN 0.388 nan 8.240 nan 0.000 0.479 686 F N 3.302 123.334 119.950 0.137 0.000 2.095 686 F HA -0.110 4.421 4.527 0.008 0.000 0.298 686 F C 2.617 178.527 175.800 0.183 0.000 1.104 686 F CA 2.377 60.478 58.000 0.168 0.000 1.232 686 F CB -0.924 38.157 39.000 0.134 0.000 0.987 686 F HN 0.373 nan 8.300 nan 0.000 0.475 687 T N -2.083 112.535 114.554 0.106 0.000 2.788 687 T HA -0.082 4.273 4.350 0.007 0.000 0.268 687 T C 2.272 176.911 174.700 -0.102 0.000 1.044 687 T CA 1.183 63.258 62.100 -0.042 0.000 1.139 687 T CB -1.583 67.326 68.868 0.067 0.000 0.867 687 T HN 0.350 nan 8.240 nan 0.000 0.454 688 G N 0.187 108.969 108.800 -0.030 0.000 2.402 688 G HA2 -0.191 3.773 3.960 0.007 0.000 0.216 688 G HA3 -0.191 3.773 3.960 0.007 0.000 0.216 688 G C 1.362 176.190 174.900 -0.121 0.000 1.162 688 G CA 0.834 45.903 45.100 -0.052 0.000 0.777 688 G HN 0.682 nan 8.290 nan 0.000 0.539 689 H N 0.049 118.999 119.070 -0.199 0.000 2.352 689 H HA 0.033 4.594 4.556 0.007 0.000 0.299 689 H C 2.614 177.633 175.328 -0.516 0.000 1.097 689 H CA 1.834 57.690 56.048 -0.320 0.000 1.311 689 H CB 0.037 29.638 29.762 -0.269 0.000 1.377 689 H HN 0.244 nan 8.280 nan 0.000 0.504 690 R N 0.324 120.593 120.500 -0.384 0.000 2.062 690 R HA -0.102 4.243 4.340 0.007 0.000 0.229 690 R C 2.316 178.484 176.300 -0.220 0.000 1.128 690 R CA 1.534 57.459 56.100 -0.292 0.000 0.960 690 R CB -0.270 29.854 30.300 -0.294 0.000 0.855 690 R HN 0.412 nan 8.270 nan 0.000 0.432 691 V N -1.520 118.260 119.914 -0.223 0.000 2.594 691 V HA -0.039 4.085 4.120 0.007 0.000 0.253 691 V C 2.222 178.154 176.094 -0.270 0.000 1.069 691 V CA 1.646 63.805 62.300 -0.234 0.000 1.082 691 V CB -0.894 30.802 31.823 -0.212 0.000 0.680 691 V HN 0.329 nan 8.190 nan 0.000 0.469 692 A N 0.553 123.192 122.820 -0.301 0.000 1.897 692 A HA -0.034 4.290 4.320 0.007 0.000 0.215 692 A C 2.385 179.774 177.584 -0.326 0.000 1.181 692 A CA 1.287 53.121 52.037 -0.339 0.000 0.620 692 A CB -0.466 18.308 19.000 -0.378 0.000 0.821 692 A HN 0.460 nan 8.150 nan 0.000 0.443 693 R N 0.145 120.418 120.500 -0.379 0.000 2.115 693 R HA -0.038 4.306 4.340 0.007 0.000 0.230 693 R C 0.448 176.685 176.300 -0.105 0.000 1.111 693 R CA 1.266 57.190 56.100 -0.293 0.000 0.976 693 R CB -0.270 29.709 30.300 -0.536 0.000 0.870 693 R HN 0.678 nan 8.270 nan 0.000 0.445 694 E N 0.108 120.245 120.200 -0.104 0.000 2.585 694 E HA 0.130 4.485 4.350 0.007 0.000 0.206 694 E C 1.023 177.548 176.600 -0.126 0.000 1.007 694 E CA -0.228 56.143 56.400 -0.047 0.000 1.028 694 E CB 0.275 29.981 29.700 0.010 0.000 1.087 694 E HN 0.162 nan 8.360 nan 0.000 0.455 695 I N 0.746 121.212 120.570 -0.173 0.000 3.001 695 I HA -0.154 4.021 4.170 0.007 0.000 0.268 695 I C 1.376 177.436 176.117 -0.095 0.000 1.267 695 I CA 1.108 62.273 61.300 -0.224 0.000 1.472 695 I CB 0.426 38.242 38.000 -0.307 0.000 1.089 695 I HN -0.002 nan 8.210 nan 0.000 0.468 696 E N 0.498 120.688 120.200 -0.015 0.000 2.476 696 E HA 0.053 4.407 4.350 0.007 0.000 0.196 696 E C 0.191 176.811 176.600 0.033 0.000 1.029 696 E CA -0.081 56.348 56.400 0.047 0.000 0.896 696 E CB 0.289 30.049 29.700 0.100 0.000 1.012 696 E HN 0.327 nan 8.360 nan 0.000 0.475 697 E N -0.467 119.733 120.200 0.001 0.000 2.369 697 E HA 0.134 4.489 4.350 0.007 0.000 0.255 697 E C 1.070 177.683 176.600 0.021 0.000 1.172 697 E CA 0.349 56.757 56.400 0.013 0.000 0.932 697 E CB 0.736 30.438 29.700 0.004 0.000 1.040 697 E HN 0.140 nan 8.360 nan 0.000 0.454 698 A N 1.674 124.515 122.820 0.034 0.000 1.948 698 A HA -0.204 4.120 4.320 0.007 0.000 0.220 698 A C 1.049 178.673 177.584 0.066 0.000 1.177 698 A CA 1.823 53.891 52.037 0.052 0.000 0.636 698 A CB -0.154 18.874 19.000 0.047 0.000 0.815 698 A HN 0.451 nan 8.150 nan 0.000 0.449 699 N N -1.845 116.879 118.700 0.041 0.000 2.685 699 N HA 0.306 5.050 4.740 0.007 0.000 0.252 699 N C -2.839 172.648 175.510 -0.038 0.000 1.261 699 N CA -1.679 51.404 53.050 0.056 0.000 0.768 699 N CB 1.135 39.672 38.487 0.084 0.000 1.304 699 N HN -0.172 nan 8.380 nan 0.000 0.536 700 P HA -0.079 nan 4.420 nan 0.000 0.236 700 P C 0.984 178.118 177.300 -0.277 0.000 1.172 700 P CA 0.756 63.631 63.100 -0.376 0.000 0.759 700 P CB 0.499 31.699 31.700 -0.834 0.000 0.843 701 Q N -0.476 119.264 119.800 -0.100 0.000 2.172 701 Q HA -0.020 4.324 4.340 0.007 0.000 0.200 701 Q C 0.525 176.539 176.000 0.024 0.000 0.964 701 Q CA 1.170 56.989 55.803 0.026 0.000 0.855 701 Q CB -0.028 28.813 28.738 0.173 0.000 0.918 701 Q HN 0.091 nan 8.270 nan 0.000 0.444 702 I N 1.005 121.594 120.570 0.030 0.000 2.404 702 I HA 0.459 4.633 4.170 0.007 0.000 0.293 702 I C -0.226 175.919 176.117 0.047 0.000 0.992 702 I CA -1.241 60.087 61.300 0.047 0.000 1.149 702 I CB 0.794 38.826 38.000 0.052 0.000 1.315 702 I HN 0.084 nan 8.210 nan 0.000 0.446 703 A N 7.066 129.934 122.820 0.080 0.000 2.445 703 A HA 0.427 4.752 4.320 0.007 0.000 0.242 703 A C 0.376 178.008 177.584 0.079 0.000 1.075 703 A CA -0.315 51.786 52.037 0.107 0.000 0.777 703 A CB 0.090 19.199 19.000 0.182 0.000 1.013 703 A HN 0.712 nan 8.150 nan 0.000 0.493 704 I N -0.389 120.228 120.570 0.078 0.000 2.823 704 I HA 0.480 4.655 4.170 0.007 0.000 0.290 704 I C -2.296 173.835 176.117 0.024 0.000 1.091 704 I CA -2.065 59.261 61.300 0.044 0.000 1.365 704 I CB -0.089 37.940 38.000 0.048 0.000 1.427 704 I HN 0.311 nan 8.210 nan 0.000 0.583 705 P HA 0.101 nan 4.420 nan 0.000 0.267 705 P C -1.359 175.869 177.300 -0.120 0.000 1.200 705 P CA 0.353 63.352 63.100 -0.168 0.000 0.772 705 P CB 0.130 31.729 31.700 -0.168 0.000 0.855 706 Y N -1.269 118.985 120.300 -0.076 0.000 2.567 706 Y HA 0.545 5.100 4.550 0.007 0.000 0.333 706 Y C 0.312 176.153 175.900 -0.099 0.000 1.106 706 Y CA -1.682 56.343 58.100 -0.124 0.000 1.157 706 Y CB 0.878 39.238 38.460 -0.167 0.000 1.277 706 Y HN 0.085 nan 8.280 nan 0.000 0.490 707 K N 2.632 123.074 120.400 0.070 0.000 2.451 707 K HA 0.176 4.501 4.320 0.007 0.000 0.280 707 K C -0.450 176.269 176.600 0.198 0.000 1.020 707 K CA -0.046 56.261 56.287 0.034 0.000 1.008 707 K CB 0.412 32.830 32.500 -0.136 0.000 0.917 707 K HN 0.679 nan 8.250 nan 0.000 0.478 708 R N 2.714 123.290 120.500 0.127 0.000 2.393 708 R HA 0.151 4.496 4.340 0.007 0.000 0.310 708 R C -0.373 176.022 176.300 0.159 0.000 0.968 708 R CA -0.527 55.669 56.100 0.159 0.000 0.867 708 R CB 1.363 31.697 30.300 0.056 0.000 1.124 708 R HN 0.587 nan 8.270 nan 0.000 0.450 709 E N 2.294 122.592 120.200 0.164 0.000 2.490 709 E HA 0.160 4.514 4.350 0.007 0.000 0.232 709 E C -0.752 175.893 176.600 0.075 0.000 1.091 709 E CA -0.106 56.366 56.400 0.120 0.000 1.050 709 E CB 1.227 30.989 29.700 0.104 0.000 1.342 709 E HN 0.390 nan 8.360 nan 0.000 0.454 710 T N 1.218 115.812 114.554 0.066 0.000 2.908 710 T HA 0.329 4.683 4.350 0.007 0.000 0.290 710 T C 0.240 174.969 174.700 0.048 0.000 1.034 710 T CA -0.640 61.489 62.100 0.048 0.000 1.010 710 T CB 1.812 70.706 68.868 0.045 0.000 1.068 710 T HN 0.312 nan 8.240 nan 0.000 0.481 711 I N 2.279 122.878 120.570 0.048 0.000 2.752 711 I HA 0.367 4.542 4.170 0.007 0.000 0.287 711 I C 0.330 176.487 176.117 0.067 0.000 1.188 711 I CA -0.261 61.075 61.300 0.059 0.000 1.427 711 I CB 0.301 38.346 38.000 0.075 0.000 1.365 711 I HN 0.735 nan 8.210 nan 0.000 0.585 712 A N 8.968 131.815 122.820 0.045 0.000 2.269 712 A HA 0.127 4.452 4.320 0.007 0.000 0.302 712 A C -0.286 177.321 177.584 0.038 0.000 1.266 712 A CA -0.616 51.445 52.037 0.040 0.000 0.894 712 A CB 0.154 19.149 19.000 -0.007 0.000 1.147 712 A HN 0.915 nan 8.150 nan 0.000 0.537 713 W N 3.156 124.394 121.300 -0.103 0.000 2.385 713 W HA 0.284 4.948 4.660 0.007 0.000 0.336 713 W C 0.796 177.104 176.519 -0.352 0.000 1.351 713 W CA 1.725 58.976 57.345 -0.156 0.000 1.295 713 W CB 0.323 29.739 29.460 -0.075 0.000 1.239 713 W HN 1.364 nan 8.180 nan 0.000 0.565 714 G N 3.354 111.268 108.800 -1.478 0.000 2.201 714 G HA2 -0.231 3.733 3.960 0.007 0.000 0.212 714 G HA3 -0.231 3.733 3.960 0.007 0.000 0.212 714 G C -0.142 174.018 174.900 -1.233 0.000 0.994 714 G CA 0.103 44.004 45.100 -2.000 0.000 0.644 714 G HN 0.554 nan 8.290 nan 0.000 0.508 715 T N 3.896 118.055 114.554 -0.657 0.000 2.833 715 T HA 0.591 4.945 4.350 0.007 0.000 0.297 715 T C -2.406 172.210 174.700 -0.140 0.000 1.015 715 T CA -0.824 61.095 62.100 -0.303 0.000 0.963 715 T CB 2.787 71.554 68.868 -0.167 0.000 0.955 715 T HN 0.246 nan 8.240 nan 0.000 0.449 716 P HA 0.101 nan 4.420 nan 0.000 0.275 716 P C 0.676 178.015 177.300 0.065 0.000 1.228 716 P CA -0.340 62.798 63.100 0.063 0.000 0.786 716 P CB 1.044 32.797 31.700 0.087 0.000 0.927 717 H N 2.331 121.414 119.070 0.021 0.000 2.389 717 H HA -0.015 4.545 4.556 0.007 0.000 0.299 717 H C 0.429 175.765 175.328 0.014 0.000 1.081 717 H CA 0.600 56.656 56.048 0.012 0.000 1.345 717 H CB 0.252 30.024 29.762 0.017 0.000 1.393 717 H HN 0.229 nan 8.280 nan 0.000 0.520 718 M N 2.803 122.400 119.600 -0.006 0.000 2.227 718 M HA 0.203 4.688 4.480 0.007 0.000 0.349 718 M C -2.415 173.850 176.300 -0.059 0.000 1.443 718 M CA -2.124 53.146 55.300 -0.050 0.000 1.110 718 M CB 0.883 33.502 32.600 0.030 0.000 1.773 718 M HN -0.145 nan 8.290 nan 0.000 0.463 719 P HA 0.150 nan 4.420 nan 0.000 0.255 719 P C 0.455 177.738 177.300 -0.028 0.000 1.173 719 P CA 1.111 64.175 63.100 -0.058 0.000 0.780 719 P CB 0.001 31.665 31.700 -0.060 0.000 0.758 720 G N 2.457 111.246 108.800 -0.018 0.000 2.147 720 G HA2 -0.131 3.833 3.960 0.007 0.000 0.244 720 G HA3 -0.131 3.833 3.960 0.007 0.000 0.244 720 G C 0.554 175.454 174.900 -0.000 0.000 1.005 720 G CA -0.301 44.795 45.100 -0.007 0.000 0.713 720 G HN 0.845 nan 8.290 nan 0.000 0.515 721 G N -0.732 108.074 108.800 0.010 0.000 2.557 721 G HA2 0.505 4.469 3.960 0.007 0.000 0.292 721 G HA3 0.505 4.469 3.960 0.007 0.000 0.292 721 G C -0.185 174.725 174.900 0.016 0.000 1.237 721 G CA -0.128 44.981 45.100 0.015 0.000 0.978 721 G HN 0.485 nan 8.290 nan 0.000 0.498 722 N N -0.444 118.246 118.700 -0.016 0.000 2.444 722 N HA 0.263 5.008 4.740 0.007 0.000 0.262 722 N C 0.571 176.018 175.510 -0.104 0.000 0.974 722 N CA -1.112 51.881 53.050 -0.095 0.000 0.933 722 N CB 1.064 39.466 38.487 -0.141 0.000 1.137 722 N HN 0.345 nan 8.380 nan 0.000 0.498 723 F N 2.556 122.422 119.950 -0.141 0.000 2.743 723 F HA 0.312 4.843 4.527 0.007 0.000 0.297 723 F C 0.631 176.345 175.800 -0.144 0.000 1.131 723 F CA -0.387 57.503 58.000 -0.183 0.000 1.426 723 F CB -0.198 38.575 39.000 -0.379 0.000 1.116 723 F HN 0.221 nan 8.300 nan 0.000 0.583 724 K N 1.554 121.501 120.400 -0.755 0.000 2.090 724 K HA 0.447 4.772 4.320 0.007 0.000 0.249 724 K C -0.123 176.396 176.600 -0.136 0.000 0.995 724 K CA -0.798 55.252 56.287 -0.394 0.000 0.914 724 K CB 1.350 33.513 32.500 -0.563 0.000 1.057 724 K HN 0.124 nan 8.250 nan 0.000 0.462 725 I N 2.129 122.677 120.570 -0.037 0.000 2.664 725 I HA -0.085 4.089 4.170 0.007 0.000 0.284 725 I C -0.192 175.755 176.117 -0.284 0.000 1.154 725 I CA 0.672 61.864 61.300 -0.181 0.000 1.402 725 I CB -0.194 37.695 38.000 -0.184 0.000 1.395 725 I HN 0.531 nan 8.210 nan 0.000 0.545 726 E N 6.563 126.567 120.200 -0.327 0.000 2.216 726 E HA 0.361 4.716 4.350 0.007 0.000 0.260 726 E C -1.456 174.963 176.600 -0.302 0.000 0.880 726 E CA -0.757 55.489 56.400 -0.257 0.000 0.765 726 E CB 1.443 31.062 29.700 -0.135 0.000 1.174 726 E HN 0.322 nan 8.360 nan 0.000 0.417 727 Y N 1.646 121.946 120.300 0.001 0.000 2.304 727 Y HA 0.161 4.716 4.550 0.007 0.000 0.328 727 Y C 0.685 176.584 175.900 -0.002 0.000 1.123 727 Y CA -0.601 57.499 58.100 0.002 0.000 1.218 727 Y CB 0.870 39.331 38.460 0.001 0.000 1.207 727 Y HN 0.167 nan 8.280 nan 0.000 0.495 728 K N 3.268 123.763 120.400 0.159 0.000 2.262 728 K HA 0.408 4.732 4.320 0.007 0.000 0.288 728 K C -0.751 175.897 176.600 0.080 0.000 1.090 728 K CA -0.149 56.189 56.287 0.085 0.000 0.918 728 K CB 0.851 33.385 32.500 0.057 0.000 1.139 728 K HN 0.437 nan 8.250 nan 0.000 0.462 729 V N 0.000 119.953 119.914 0.065 0.000 2.409 729 V HA 0.000 4.124 4.120 0.007 0.000 0.244 729 V CA 0.000 62.328 62.300 0.046 0.000 1.235 729 V CB 0.000 31.859 31.823 0.060 0.000 1.184 729 V HN 0.000 nan 8.190 nan 0.000 0.556