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 3kfk_1_A DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXETASEMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKC AGLNVFTGAV EDMCENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.483 175.510 -0.045 0.000 1.280 11 N CA 0.000 53.026 53.050 -0.040 0.000 0.885 11 N CB 0.000 38.469 38.487 -0.029 0.000 1.341 12 M N 0.499 120.067 119.600 -0.054 0.000 2.532 12 M HA 0.238 4.718 4.480 -0.000 0.000 0.244 12 M C -0.260 175.985 176.300 -0.092 0.000 1.390 12 M CA 0.596 55.859 55.300 -0.061 0.000 1.132 12 M CB 0.675 33.246 32.600 -0.047 0.000 1.466 12 M HN 0.262 nan 8.290 nan 0.000 0.550 13 K N 0.988 121.319 120.400 -0.115 0.000 2.471 13 K HA 0.578 4.898 4.320 -0.000 0.000 0.252 13 K C -1.008 175.447 176.600 -0.243 0.000 0.938 13 K CA -0.468 55.699 56.287 -0.200 0.000 0.796 13 K CB 2.990 35.386 32.500 -0.172 0.000 1.161 13 K HN -0.012 nan 8.250 nan 0.000 0.425 14 R N 2.837 123.113 120.500 -0.374 0.000 2.566 14 R HA 0.328 4.668 4.340 -0.000 0.000 0.271 14 R C -1.713 174.322 176.300 -0.442 0.000 1.071 14 R CA -0.650 55.270 56.100 -0.299 0.000 0.915 14 R CB 1.218 31.438 30.300 -0.135 0.000 1.228 14 R HN 0.520 nan 8.270 nan 0.000 0.449 15 Y N 2.789 123.089 120.300 -0.001 0.000 2.409 15 Y HA 0.463 5.013 4.550 0.000 0.000 0.339 15 Y C 0.313 176.214 175.900 0.002 0.000 1.033 15 Y CA -0.987 57.115 58.100 0.003 0.000 1.094 15 Y CB 1.951 40.417 38.460 0.010 0.000 1.210 15 Y HN 0.204 nan 8.280 nan 0.000 0.456 16 M N 2.707 122.396 119.600 0.148 0.000 2.088 16 M HA 0.271 4.751 4.480 -0.000 0.000 0.346 16 M C 1.050 177.390 176.300 0.068 0.000 1.111 16 M CA -0.020 55.328 55.300 0.079 0.000 1.017 16 M CB 0.472 33.101 32.600 0.048 0.000 1.568 16 M HN 1.036 nan 8.290 nan 0.000 0.445 17 G N 4.870 113.700 108.800 0.050 0.000 3.284 17 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.351 17 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.351 17 G C 1.215 176.126 174.900 0.017 0.000 1.232 17 G CA 1.114 46.231 45.100 0.028 0.000 1.001 17 G HN 0.686 nan 8.290 nan 0.000 0.639 18 R N 0.672 121.180 120.500 0.014 0.000 2.148 18 R HA 0.071 4.411 4.340 -0.000 0.000 0.227 18 R C 1.991 178.290 176.300 -0.001 0.000 1.103 18 R CA 1.363 57.464 56.100 0.000 0.000 0.983 18 R CB -0.210 30.091 30.300 0.002 0.000 0.874 18 R HN 0.496 nan 8.270 nan 0.000 0.451 19 D N 0.007 120.423 120.400 0.027 0.000 2.323 19 D HA 0.008 4.648 4.640 -0.000 0.000 0.209 19 D C 1.392 177.680 176.300 -0.021 0.000 0.973 19 D CA 0.836 54.851 54.000 0.025 0.000 0.874 19 D CB 0.346 41.216 40.800 0.117 0.000 0.930 19 D HN 0.269 nan 8.370 nan 0.000 0.521 20 A N 0.357 123.196 122.820 0.031 0.000 1.973 20 A HA -0.026 4.294 4.320 -0.000 0.000 0.210 20 A C 2.072 179.641 177.584 -0.025 0.000 1.200 20 A CA 0.357 52.410 52.037 0.028 0.000 0.707 20 A CB -0.110 18.953 19.000 0.105 0.000 0.862 20 A HN 0.036 nan 8.150 nan 0.000 0.461 21 Q N -0.595 119.189 119.800 -0.026 0.000 2.079 21 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 21 Q C 2.277 178.242 176.000 -0.059 0.000 0.974 21 Q CA 1.529 57.308 55.803 -0.041 0.000 0.840 21 Q CB -0.124 28.586 28.738 -0.047 0.000 0.898 21 Q HN 0.610 nan 8.270 nan 0.000 0.430 22 R N -0.070 120.390 120.500 -0.068 0.000 2.148 22 R HA -0.069 4.271 4.340 -0.000 0.000 0.223 22 R C 2.031 178.264 176.300 -0.112 0.000 1.088 22 R CA 0.784 56.837 56.100 -0.079 0.000 0.985 22 R CB 0.052 30.310 30.300 -0.069 0.000 0.880 22 R HN 0.173 nan 8.270 nan 0.000 0.451 23 M N 0.649 120.158 119.600 -0.152 0.000 2.200 23 M HA -0.048 4.432 4.480 -0.000 0.000 0.265 23 M C 1.050 177.277 176.300 -0.121 0.000 1.066 23 M CA 1.674 56.854 55.300 -0.200 0.000 1.127 23 M CB 0.037 32.398 32.600 -0.398 0.000 1.379 23 M HN 0.056 nan 8.290 nan 0.000 0.420 24 N N -0.281 118.380 118.700 -0.065 0.000 2.333 24 N HA 0.089 4.829 4.740 -0.000 0.000 0.178 24 N C 1.626 177.098 175.510 -0.063 0.000 1.018 24 N CA 1.225 54.260 53.050 -0.025 0.000 0.882 24 N CB -0.265 38.225 38.487 0.006 0.000 0.984 24 N HN 0.392 nan 8.380 nan 0.000 0.434 25 I N 0.281 120.808 120.570 -0.071 0.000 2.286 25 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 25 I C 2.101 178.167 176.117 -0.085 0.000 1.104 25 I CA 0.607 61.867 61.300 -0.067 0.000 1.397 25 I CB -0.055 37.910 38.000 -0.059 0.000 1.072 25 I HN 0.073 nan 8.210 nan 0.000 0.417 26 L N 0.575 121.732 121.223 -0.109 0.000 2.141 26 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 26 L C 2.623 179.394 176.870 -0.164 0.000 1.094 26 L CA 1.412 56.179 54.840 -0.122 0.000 0.763 26 L CB -0.238 41.746 42.059 -0.125 0.000 0.908 26 L HN 0.210 nan 8.230 nan 0.000 0.437 27 A N -0.671 122.005 122.820 -0.240 0.000 1.968 27 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 27 A C 2.228 179.708 177.584 -0.174 0.000 1.169 27 A CA 1.305 53.142 52.037 -0.335 0.000 0.638 27 A CB -1.071 17.534 19.000 -0.658 0.000 0.812 27 A HN 0.502 nan 8.150 nan 0.000 0.446 28 G N -0.899 107.834 108.800 -0.112 0.000 2.430 28 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.216 28 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.216 28 G C 1.745 176.611 174.900 -0.057 0.000 1.146 28 G CA 0.538 45.600 45.100 -0.063 0.000 0.793 28 G HN 0.513 nan 8.290 nan 0.000 0.537 29 R N -0.514 119.947 120.500 -0.066 0.000 2.119 29 R HA 0.238 4.578 4.340 -0.000 0.000 0.222 29 R C 2.345 178.613 176.300 -0.055 0.000 1.088 29 R CA 0.470 56.537 56.100 -0.054 0.000 0.984 29 R CB -0.248 30.020 30.300 -0.053 0.000 0.884 29 R HN 0.379 nan 8.270 nan 0.000 0.447 30 I N 1.494 122.022 120.570 -0.070 0.000 2.394 30 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 30 I C 1.968 178.056 176.117 -0.049 0.000 1.136 30 I CA 1.179 62.441 61.300 -0.063 0.000 1.425 30 I CB 0.176 38.129 38.000 -0.080 0.000 1.079 30 I HN 0.131 nan 8.210 nan 0.000 0.425 31 I N -1.918 118.623 120.570 -0.048 0.000 3.226 31 I HA 0.127 4.297 4.170 -0.000 0.000 0.277 31 I C 2.324 178.425 176.117 -0.027 0.000 1.243 31 I CA 0.910 62.191 61.300 -0.033 0.000 1.459 31 I CB -0.566 37.418 38.000 -0.027 0.000 1.093 31 I HN 0.006 nan 8.210 nan 0.000 0.453 32 A N 1.504 124.305 122.820 -0.031 0.000 1.930 32 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 32 A C 2.221 179.788 177.584 -0.028 0.000 1.176 32 A CA 1.178 53.198 52.037 -0.028 0.000 0.632 32 A CB -0.498 18.483 19.000 -0.031 0.000 0.819 32 A HN 0.516 nan 8.150 nan 0.000 0.445 33 E N -0.515 119.667 120.200 -0.030 0.000 2.274 33 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 33 E C 1.664 178.250 176.600 -0.024 0.000 0.996 33 E CA 1.217 57.600 56.400 -0.028 0.000 0.840 33 E CB -0.135 29.547 29.700 -0.029 0.000 0.772 33 E HN 0.630 nan 8.360 nan 0.000 0.491 34 T N 0.375 114.916 114.554 -0.022 0.000 2.867 34 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 34 T C 1.865 176.555 174.700 -0.016 0.000 1.057 34 T CA 1.269 63.358 62.100 -0.018 0.000 1.136 34 T CB 0.055 68.913 68.868 -0.016 0.000 0.874 34 T HN 0.163 nan 8.240 nan 0.000 0.466 35 V N -1.203 118.700 119.914 -0.017 0.000 3.319 35 V HA 0.460 4.580 4.120 -0.000 0.000 0.317 35 V C 1.792 177.875 176.094 -0.019 0.000 1.411 35 V CA -0.258 62.033 62.300 -0.016 0.000 1.112 35 V CB -0.452 31.364 31.823 -0.013 0.000 1.031 35 V HN 0.135 nan 8.190 nan 0.000 0.448 36 R N 1.478 121.965 120.500 -0.022 0.000 2.193 36 R HA -0.004 4.336 4.340 -0.000 0.000 0.213 36 R C 2.149 178.434 176.300 -0.025 0.000 1.055 36 R CA 1.435 57.520 56.100 -0.025 0.000 0.995 36 R CB 0.029 30.313 30.300 -0.027 0.000 0.893 36 R HN 0.722 nan 8.270 nan 0.000 0.459 37 S N -0.891 114.796 115.700 -0.023 0.000 2.470 37 S HA -0.081 4.389 4.470 -0.000 0.000 0.225 37 S C 1.822 176.408 174.600 -0.023 0.000 1.006 37 S CA 0.972 59.158 58.200 -0.024 0.000 0.934 37 S CB 0.131 63.318 63.200 -0.021 0.000 0.778 37 S HN 0.446 nan 8.310 nan 0.000 0.517 38 T N 0.470 115.012 114.554 -0.019 0.000 2.995 38 T HA 0.149 4.499 4.350 -0.000 0.000 0.269 38 T C 0.628 175.319 174.700 -0.017 0.000 1.091 38 T CA 0.074 62.165 62.100 -0.015 0.000 1.128 38 T CB -0.606 68.255 68.868 -0.011 0.000 0.891 38 T HN 0.303 nan 8.240 nan 0.000 0.492 39 L N 1.843 123.053 121.223 -0.021 0.000 2.416 39 L HA 0.513 4.853 4.340 -0.000 0.000 0.272 39 L C 0.817 177.670 176.870 -0.029 0.000 1.161 39 L CA 1.049 55.876 54.840 -0.022 0.000 0.845 39 L CB -0.051 41.993 42.059 -0.025 0.000 1.119 39 L HN 0.719 nan 8.230 nan 0.000 0.464 40 G N 3.742 112.526 108.800 -0.026 0.000 2.629 40 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 40 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 40 G C -2.389 172.489 174.900 -0.036 0.000 1.232 40 G CA -0.513 44.564 45.100 -0.038 0.000 0.803 40 G HN 0.499 nan 8.290 nan 0.000 0.638 41 P HA 0.030 nan 4.420 nan 0.000 0.220 41 P C 1.167 178.426 177.300 -0.068 0.000 1.148 41 P CA 1.113 64.202 63.100 -0.018 0.000 0.803 41 P CB 0.163 31.855 31.700 -0.014 0.000 0.782 42 K N -0.014 120.302 120.400 -0.140 0.000 2.675 42 K HA 0.288 4.608 4.320 -0.000 0.000 0.213 42 K C 0.966 177.527 176.600 -0.066 0.000 1.074 42 K CA -0.057 56.159 56.287 -0.118 0.000 1.172 42 K CB 0.186 32.582 32.500 -0.173 0.000 0.927 42 K HN 0.080 nan 8.250 nan 0.000 0.471 43 G N 0.755 109.529 108.800 -0.043 0.000 2.562 43 G HA2 0.372 4.332 3.960 -0.000 0.000 0.275 43 G HA3 0.372 4.332 3.960 -0.000 0.000 0.275 43 G C 0.127 175.016 174.900 -0.019 0.000 1.196 43 G CA -0.508 44.575 45.100 -0.029 0.000 0.908 43 G HN -0.016 nan 8.290 nan 0.000 0.524 44 M N 0.043 119.633 119.600 -0.017 0.000 2.654 44 M HA 0.414 4.894 4.480 -0.000 0.000 0.310 44 M C -1.075 175.220 176.300 -0.008 0.000 1.211 44 M CA -0.626 54.667 55.300 -0.012 0.000 0.947 44 M CB 1.773 34.364 32.600 -0.015 0.000 1.647 44 M HN 0.341 nan 8.290 nan 0.000 0.481 45 D N 0.847 121.243 120.400 -0.007 0.000 2.299 45 D HA 0.502 5.142 4.640 -0.000 0.000 0.243 45 D C -0.633 175.663 176.300 -0.006 0.000 0.982 45 D CA -0.347 53.650 54.000 -0.005 0.000 0.924 45 D CB 1.410 42.209 40.800 -0.003 0.000 1.238 45 D HN 0.133 nan 8.370 nan 0.000 0.484 46 K N 1.129 121.526 120.400 -0.005 0.000 2.345 46 K HA 0.432 4.752 4.320 -0.000 0.000 0.255 46 K C -0.853 175.744 176.600 -0.005 0.000 0.934 46 K CA -0.601 55.683 56.287 -0.006 0.000 0.801 46 K CB 2.292 34.789 32.500 -0.005 0.000 1.137 46 K HN 0.463 nan 8.250 nan 0.000 0.424 47 M N 3.775 123.371 119.600 -0.006 0.000 2.205 47 M HA 0.303 4.783 4.480 -0.000 0.000 0.344 47 M C -1.454 174.843 176.300 -0.004 0.000 1.085 47 M CA -1.028 54.268 55.300 -0.007 0.000 1.001 47 M CB 0.614 33.209 32.600 -0.009 0.000 1.626 47 M HN 0.355 nan 8.290 nan 0.000 0.442 48 L N 6.093 127.314 121.223 -0.003 0.000 2.298 48 L HA 0.491 4.831 4.340 -0.000 0.000 0.284 48 L C -0.888 175.982 176.870 0.000 0.000 1.013 48 L CA -0.320 54.519 54.840 -0.000 0.000 0.824 48 L CB 1.803 43.863 42.059 0.002 0.000 1.221 48 L HN 0.405 nan 8.230 nan 0.000 0.418 49 V N 3.664 123.578 119.914 0.000 0.000 2.313 49 V HA 0.354 4.474 4.120 -0.000 0.000 0.278 49 V C -0.046 176.050 176.094 0.003 0.000 1.017 49 V CA -0.833 61.468 62.300 0.001 0.000 0.823 49 V CB 1.080 32.903 31.823 -0.001 0.000 1.010 49 V HN 0.789 nan 8.190 nan 0.000 0.443 50 D N 3.750 124.152 120.400 0.004 0.000 2.453 50 D HA 0.064 4.704 4.640 -0.000 0.000 0.282 50 D C 0.942 177.245 176.300 0.005 0.000 1.222 50 D CA -0.161 53.842 54.000 0.005 0.000 1.079 50 D CB 0.547 41.351 40.800 0.006 0.000 1.128 50 D HN 0.476 nan 8.370 nan 0.000 0.568 51 D N -0.361 120.042 120.400 0.005 0.000 2.178 51 D HA -0.147 4.493 4.640 -0.000 0.000 0.202 51 D C 2.153 178.456 176.300 0.005 0.000 0.974 51 D CA 0.685 54.688 54.000 0.005 0.000 0.841 51 D CB -0.337 40.466 40.800 0.005 0.000 0.953 51 D HN 0.298 nan 8.370 nan 0.000 0.478 52 L N -0.168 121.059 121.223 0.005 0.000 2.395 52 L HA 0.123 4.463 4.340 -0.000 0.000 0.218 52 L C 1.852 178.726 176.870 0.006 0.000 1.130 52 L CA 0.855 55.699 54.840 0.006 0.000 0.826 52 L CB -0.296 41.767 42.059 0.007 0.000 0.941 52 L HN 0.325 nan 8.230 nan 0.000 0.451 53 G N -0.504 108.299 108.800 0.005 0.000 2.141 53 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.242 53 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.242 53 G C -0.222 174.681 174.900 0.005 0.000 0.982 53 G CA -0.141 44.962 45.100 0.004 0.000 0.662 53 G HN 0.292 nan 8.290 nan 0.000 0.527 54 D N 0.222 120.627 120.400 0.007 0.000 2.383 54 D HA 0.388 5.028 4.640 -0.000 0.000 0.252 54 D C 0.418 176.723 176.300 0.007 0.000 1.166 54 D CA 0.071 54.077 54.000 0.010 0.000 0.879 54 D CB 2.093 42.901 40.800 0.014 0.000 1.164 54 D HN 0.241 nan 8.370 nan 0.000 0.462 55 V N 3.469 123.386 119.914 0.005 0.000 2.481 55 V HA 0.534 4.654 4.120 -0.000 0.000 0.286 55 V C -0.674 175.419 176.094 -0.001 0.000 1.042 55 V CA -0.367 61.932 62.300 -0.003 0.000 0.928 55 V CB 1.717 33.532 31.823 -0.014 0.000 0.986 55 V HN 0.285 nan 8.190 nan 0.000 0.462 56 V N 6.899 126.812 119.914 -0.002 0.000 2.752 56 V HA 0.555 4.675 4.120 -0.000 0.000 0.302 56 V C -1.181 174.912 176.094 -0.003 0.000 1.133 56 V CA -0.278 62.023 62.300 0.002 0.000 0.919 56 V CB 2.365 34.198 31.823 0.017 0.000 1.026 56 V HN 0.733 nan 8.190 nan 0.000 0.429 57 V N 5.571 125.481 119.914 -0.008 0.000 2.384 57 V HA 0.797 4.917 4.120 -0.000 0.000 0.287 57 V C 0.096 176.190 176.094 0.001 0.000 1.020 57 V CA -0.103 62.193 62.300 -0.008 0.000 0.850 57 V CB 1.575 33.388 31.823 -0.017 0.000 0.987 57 V HN 0.998 nan 8.190 nan 0.000 0.436 58 T N 2.793 117.349 114.554 0.002 0.000 2.956 58 T HA 0.290 4.640 4.350 -0.000 0.000 0.312 58 T C 0.422 175.124 174.700 0.003 0.000 1.151 58 T CA -0.494 61.610 62.100 0.006 0.000 1.024 58 T CB 1.863 70.737 68.868 0.009 0.000 1.140 58 T HN 0.627 nan 8.240 nan 0.000 0.473 59 N N 2.187 120.889 118.700 0.005 0.000 2.402 59 N HA -0.002 4.738 4.740 -0.000 0.000 0.174 59 N C 0.068 175.579 175.510 0.002 0.000 1.027 59 N CA 0.244 53.295 53.050 0.003 0.000 0.891 59 N CB 0.080 38.570 38.487 0.005 0.000 1.016 59 N HN 0.726 nan 8.380 nan 0.000 0.439 60 D N -0.033 120.370 120.400 0.005 0.000 2.520 60 D HA 0.024 4.664 4.640 -0.000 0.000 0.243 60 D C 1.319 177.620 176.300 0.002 0.000 1.160 60 D CA 0.334 54.336 54.000 0.004 0.000 0.877 60 D CB 0.754 41.558 40.800 0.006 0.000 1.150 60 D HN 0.301 nan 8.370 nan 0.000 0.494 61 G N 2.731 111.531 108.800 -0.000 0.000 2.432 61 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 61 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 61 G C 1.467 176.367 174.900 -0.000 0.000 1.135 61 G CA 0.589 45.687 45.100 -0.002 0.000 0.767 61 G HN 0.492 nan 8.290 nan 0.000 0.550 62 V N 1.604 121.519 119.914 0.001 0.000 2.591 62 V HA -0.094 4.026 4.120 -0.000 0.000 0.249 62 V C 3.177 179.274 176.094 0.004 0.000 1.053 62 V CA 2.726 65.028 62.300 0.002 0.000 1.068 62 V CB -0.487 31.338 31.823 0.003 0.000 0.689 62 V HN 0.583 nan 8.190 nan 0.000 0.462 63 T N -2.093 112.463 114.554 0.004 0.000 2.995 63 T HA -0.027 4.323 4.350 -0.000 0.000 0.269 63 T C 1.747 176.450 174.700 0.005 0.000 1.091 63 T CA 1.533 63.636 62.100 0.006 0.000 1.128 63 T CB -0.391 68.481 68.868 0.007 0.000 0.891 63 T HN 0.472 nan 8.240 nan 0.000 0.492 64 I N 0.851 121.423 120.570 0.004 0.000 2.193 64 I HA -0.006 4.164 4.170 -0.000 0.000 0.240 64 I C 2.389 178.508 176.117 0.003 0.000 1.084 64 I CA 1.100 62.401 61.300 0.002 0.000 1.365 64 I CB -0.359 37.641 38.000 -0.000 0.000 1.064 64 I HN 0.158 nan 8.210 nan 0.000 0.410 65 L N 0.112 121.337 121.223 0.003 0.000 2.201 65 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 65 L C 2.678 179.552 176.870 0.006 0.000 1.105 65 L CA 1.096 55.938 54.840 0.004 0.000 0.775 65 L CB -0.510 41.551 42.059 0.003 0.000 0.913 65 L HN 0.152 nan 8.230 nan 0.000 0.440 66 R N 0.014 120.518 120.500 0.006 0.000 2.075 66 R HA -0.061 4.279 4.340 -0.000 0.000 0.226 66 R C 1.558 177.863 176.300 0.008 0.000 1.114 66 R CA 1.044 57.149 56.100 0.007 0.000 0.972 66 R CB -0.013 30.291 30.300 0.007 0.000 0.869 66 R HN 0.406 nan 8.270 nan 0.000 0.437 67 E N 0.499 120.703 120.200 0.007 0.000 2.481 67 E HA 0.066 4.416 4.350 -0.000 0.000 0.198 67 E C 0.394 176.998 176.600 0.007 0.000 1.027 67 E CA -0.187 56.218 56.400 0.008 0.000 0.900 67 E CB 0.482 30.187 29.700 0.008 0.000 0.993 67 E HN 0.272 nan 8.360 nan 0.000 0.482 68 M N -0.845 118.759 119.600 0.007 0.000 2.444 68 M HA 0.409 4.889 4.480 -0.000 0.000 0.319 68 M C -0.147 176.158 176.300 0.010 0.000 1.183 68 M CA -0.482 54.823 55.300 0.007 0.000 1.032 68 M CB 1.446 34.050 32.600 0.005 0.000 1.569 68 M HN -0.369 nan 8.290 nan 0.000 0.468 69 S N 2.084 117.790 115.700 0.010 0.000 2.423 69 S HA 0.395 4.865 4.470 -0.000 0.000 0.302 69 S C -0.430 174.181 174.600 0.018 0.000 1.143 69 S CA -0.679 57.529 58.200 0.013 0.000 1.080 69 S CB -0.494 62.713 63.200 0.012 0.000 1.081 69 S HN 0.467 nan 8.310 nan 0.000 0.522 70 V N 3.858 123.785 119.914 0.021 0.000 2.540 70 V HA 0.433 4.553 4.120 -0.000 0.000 0.302 70 V C 0.433 176.550 176.094 0.039 0.000 1.035 70 V CA -0.575 61.744 62.300 0.032 0.000 0.873 70 V CB 1.854 33.695 31.823 0.030 0.000 0.992 70 V HN 0.679 nan 8.190 nan 0.000 0.428 71 E N 0.632 120.865 120.200 0.056 0.000 2.536 71 E HA 0.112 4.462 4.350 -0.000 0.000 0.220 71 E C 0.439 177.074 176.600 0.059 0.000 0.876 71 E CA -0.146 56.282 56.400 0.047 0.000 1.190 71 E CB 0.355 30.076 29.700 0.034 0.000 1.191 71 E HN 0.726 nan 8.360 nan 0.000 0.557 72 H N 2.742 121.817 119.070 0.009 0.000 2.929 72 H HA 0.051 4.607 4.556 -0.000 0.000 0.317 72 H C -1.690 173.645 175.328 0.011 0.000 1.031 72 H CA -1.229 54.826 56.048 0.011 0.000 1.466 72 H CB 1.540 31.303 29.762 0.002 0.000 1.482 72 H HN -0.200 nan 8.280 nan 0.000 0.561 73 P HA -0.128 nan 4.420 nan 0.000 0.216 73 P C 1.019 178.382 177.300 0.105 0.000 1.150 73 P CA 1.905 64.992 63.100 -0.022 0.000 0.837 73 P CB 0.157 31.796 31.700 -0.102 0.000 0.786 74 A N -0.406 122.588 122.820 0.291 0.000 2.014 74 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 74 A C 2.240 179.902 177.584 0.131 0.000 1.163 74 A CA 1.562 53.726 52.037 0.211 0.000 0.652 74 A CB -1.322 17.811 19.000 0.222 0.000 0.808 74 A HN 0.191 nan 8.150 nan 0.000 0.449 75 A N -0.077 122.841 122.820 0.162 0.000 1.970 75 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 75 A C 2.018 179.634 177.584 0.053 0.000 1.170 75 A CA 1.411 53.486 52.037 0.063 0.000 0.645 75 A CB -0.281 18.747 19.000 0.048 0.000 0.816 75 A HN 0.488 nan 8.150 nan 0.000 0.447 76 K N -0.737 119.703 120.400 0.067 0.000 2.211 76 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 76 K C 1.760 178.380 176.600 0.032 0.000 1.050 76 K CA 1.201 57.513 56.287 0.042 0.000 0.945 76 K CB -0.195 32.327 32.500 0.038 0.000 0.732 76 K HN 0.487 nan 8.250 nan 0.000 0.451 77 M N 0.043 119.665 119.600 0.037 0.000 2.419 77 M HA -0.075 4.405 4.480 -0.000 0.000 0.264 77 M C 1.647 177.961 176.300 0.023 0.000 1.082 77 M CA 0.825 56.142 55.300 0.029 0.000 1.119 77 M CB 0.098 32.717 32.600 0.031 0.000 1.398 77 M HN 0.070 nan 8.290 nan 0.000 0.453 78 L N -0.025 121.211 121.223 0.021 0.000 2.509 78 L HA 0.112 4.452 4.340 -0.000 0.000 0.222 78 L C 1.620 178.497 176.870 0.011 0.000 1.123 78 L CA 0.941 55.790 54.840 0.014 0.000 0.856 78 L CB -0.044 42.020 42.059 0.007 0.000 0.985 78 L HN 0.187 nan 8.230 nan 0.000 0.456 79 I N -1.109 119.470 120.570 0.014 0.000 3.564 79 I HA -0.038 4.131 4.170 -0.000 0.000 0.294 79 I C 1.512 177.636 176.117 0.011 0.000 1.289 79 I CA 0.215 61.521 61.300 0.011 0.000 1.325 79 I CB -0.211 37.796 38.000 0.013 0.000 1.039 79 I HN 0.180 nan 8.210 nan 0.000 0.474 80 E N 0.529 120.737 120.200 0.013 0.000 2.385 80 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 80 E C 2.304 178.912 176.600 0.012 0.000 1.013 80 E CA 0.619 57.027 56.400 0.013 0.000 0.866 80 E CB 0.327 30.035 29.700 0.015 0.000 0.832 80 E HN 0.341 nan 8.360 nan 0.000 0.500 81 V N 1.401 121.322 119.914 0.012 0.000 2.283 81 V HA -0.150 3.970 4.120 -0.000 0.000 0.243 81 V C 2.430 178.530 176.094 0.009 0.000 1.039 81 V CA 1.857 64.164 62.300 0.012 0.000 1.016 81 V CB -0.734 31.097 31.823 0.012 0.000 0.650 81 V HN 0.211 nan 8.190 nan 0.000 0.449 82 A N -0.484 122.340 122.820 0.007 0.000 2.014 82 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 82 A C 2.306 179.893 177.584 0.005 0.000 1.163 82 A CA 1.776 53.816 52.037 0.005 0.000 0.652 82 A CB -0.419 18.582 19.000 0.003 0.000 0.808 82 A HN 0.491 nan 8.150 nan 0.000 0.449 83 K N -0.181 120.223 120.400 0.007 0.000 2.148 83 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 83 K C 1.693 178.297 176.600 0.006 0.000 1.050 83 K CA 1.714 58.004 56.287 0.006 0.000 0.942 83 K CB -0.131 32.373 32.500 0.007 0.000 0.724 83 K HN 0.628 nan 8.250 nan 0.000 0.446 84 T N -2.124 112.435 114.554 0.008 0.000 3.107 84 T HA 0.011 4.361 4.350 -0.000 0.000 0.249 84 T C 1.536 176.240 174.700 0.008 0.000 1.096 84 T CA 0.102 62.207 62.100 0.008 0.000 1.012 84 T CB 0.447 69.321 68.868 0.010 0.000 0.977 84 T HN 0.090 nan 8.240 nan 0.000 0.527 85 Q N 2.325 122.129 119.800 0.007 0.000 2.165 85 Q HA 0.016 4.356 4.340 -0.000 0.000 0.197 85 Q C 2.159 178.162 176.000 0.004 0.000 0.952 85 Q CA 1.487 57.293 55.803 0.006 0.000 0.848 85 Q CB -0.110 28.631 28.738 0.005 0.000 0.931 85 Q HN 0.823 nan 8.270 nan 0.000 0.470 86 E N -0.823 119.379 120.200 0.004 0.000 2.274 86 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 86 E C 1.642 178.243 176.600 0.002 0.000 0.996 86 E CA 0.923 57.324 56.400 0.003 0.000 0.840 86 E CB -0.041 29.661 29.700 0.003 0.000 0.772 86 E HN 0.035 nan 8.360 nan 0.000 0.491 87 K N 0.634 121.036 120.400 0.003 0.000 2.137 87 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 87 K C 1.899 178.500 176.600 0.003 0.000 1.052 87 K CA 1.060 57.348 56.287 0.003 0.000 0.961 87 K CB 0.359 32.861 32.500 0.004 0.000 0.741 87 K HN 0.048 nan 8.250 nan 0.000 0.452 88 E N -0.678 119.524 120.200 0.004 0.000 2.099 88 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 88 E C 1.809 178.411 176.600 0.003 0.000 0.962 88 E CA 0.948 57.350 56.400 0.004 0.000 0.826 88 E CB 0.289 29.993 29.700 0.006 0.000 0.788 88 E HN 0.097 nan 8.360 nan 0.000 0.461 89 V N -1.226 118.690 119.914 0.003 0.000 2.870 89 V HA 0.361 4.481 4.120 -0.000 0.000 0.232 89 V C 1.647 177.743 176.094 0.002 0.000 1.161 89 V CA 1.064 63.365 62.300 0.003 0.000 1.204 89 V CB 0.331 32.156 31.823 0.004 0.000 1.003 89 V HN 0.422 nan 8.190 nan 0.000 0.499 90 G N 0.308 109.109 108.800 0.002 0.000 2.953 90 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.201 90 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.201 90 G C -0.143 174.759 174.900 0.003 0.000 1.501 90 G CA 0.213 45.314 45.100 0.002 0.000 1.094 90 G HN 0.545 nan 8.290 nan 0.000 0.555 91 D N 1.006 121.408 120.400 0.003 0.000 2.210 91 D HA 0.547 5.187 4.640 -0.000 0.000 0.249 91 D C 0.959 177.261 176.300 0.003 0.000 1.078 91 D CA 1.289 55.292 54.000 0.004 0.000 0.875 91 D CB 0.853 41.656 40.800 0.005 0.000 1.175 91 D HN 1.654 nan 8.370 nan 0.000 0.440 92 G N 2.106 110.907 108.800 0.002 0.000 2.145 92 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.176 92 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.176 92 G C 0.949 175.847 174.900 -0.002 0.000 1.013 92 G CA 0.517 45.617 45.100 -0.001 0.000 0.689 92 G HN 0.651 nan 8.290 nan 0.000 0.506 93 T N -3.134 111.420 114.554 -0.001 0.000 2.904 93 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 93 T C 2.236 176.933 174.700 -0.004 0.000 1.059 93 T CA 2.367 64.466 62.100 -0.001 0.000 1.137 93 T CB -0.298 68.570 68.868 0.000 0.000 0.879 93 T HN 0.244 nan 8.240 nan 0.000 0.467 94 T N 2.751 117.302 114.554 -0.006 0.000 2.812 94 T HA -0.084 4.266 4.350 -0.000 0.000 0.264 94 T C 2.461 177.152 174.700 -0.014 0.000 1.042 94 T CA 1.864 63.959 62.100 -0.010 0.000 1.140 94 T CB -0.853 68.009 68.868 -0.010 0.000 0.870 94 T HN 0.785 nan 8.240 nan 0.000 0.445 95 T N 1.070 115.615 114.554 -0.014 0.000 2.867 95 T HA 0.085 4.435 4.350 -0.000 0.000 0.268 95 T C 2.240 176.927 174.700 -0.022 0.000 1.057 95 T CA 0.959 63.047 62.100 -0.020 0.000 1.136 95 T CB -0.503 68.354 68.868 -0.018 0.000 0.874 95 T HN 0.326 nan 8.240 nan 0.000 0.466 96 A N 0.793 123.604 122.820 -0.015 0.000 2.014 96 A HA 0.204 4.524 4.320 -0.000 0.000 0.218 96 A C 2.489 180.065 177.584 -0.013 0.000 1.163 96 A CA 1.126 53.156 52.037 -0.012 0.000 0.652 96 A CB -0.664 18.334 19.000 -0.003 0.000 0.808 96 A HN 0.441 nan 8.150 nan 0.000 0.449 97 V N -0.850 119.056 119.914 -0.015 0.000 2.500 97 V HA -0.122 3.998 4.120 -0.000 0.000 0.243 97 V C 2.490 178.570 176.094 -0.023 0.000 1.039 97 V CA 1.521 63.812 62.300 -0.015 0.000 1.053 97 V CB -0.495 31.321 31.823 -0.013 0.000 0.695 97 V HN 0.323 nan 8.190 nan 0.000 0.463 98 V N 0.042 119.939 119.914 -0.028 0.000 2.343 98 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 98 V C 2.463 178.529 176.094 -0.047 0.000 1.051 98 V CA 1.799 64.078 62.300 -0.035 0.000 1.036 98 V CB -0.501 31.301 31.823 -0.036 0.000 0.654 98 V HN 0.399 nan 8.190 nan 0.000 0.451 99 V N 0.451 120.332 119.914 -0.054 0.000 2.343 99 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 99 V C 2.733 178.783 176.094 -0.074 0.000 1.051 99 V CA 2.052 64.303 62.300 -0.082 0.000 1.036 99 V CB -1.139 30.629 31.823 -0.093 0.000 0.654 99 V HN 0.565 nan 8.190 nan 0.000 0.451 100 A N 0.388 123.183 122.820 -0.042 0.000 1.972 100 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 100 A C 2.370 179.945 177.584 -0.015 0.000 1.169 100 A CA 1.894 53.921 52.037 -0.017 0.000 0.635 100 A CB -1.031 17.968 19.000 -0.003 0.000 0.810 100 A HN 0.545 nan 8.150 nan 0.000 0.446 101 G N -0.762 108.022 108.800 -0.026 0.000 2.403 101 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 101 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 101 G C 1.449 176.333 174.900 -0.027 0.000 1.154 101 G CA 1.138 46.221 45.100 -0.027 0.000 0.784 101 G HN 0.545 nan 8.290 nan 0.000 0.538 102 E N 0.243 120.419 120.200 -0.039 0.000 2.152 102 E HA 0.085 4.435 4.350 -0.000 0.000 0.192 102 E C 2.419 179.002 176.600 -0.027 0.000 0.983 102 E CA 0.321 56.695 56.400 -0.043 0.000 0.818 102 E CB -0.306 29.352 29.700 -0.069 0.000 0.758 102 E HN 0.417 nan 8.360 nan 0.000 0.467 103 L N -0.116 121.094 121.223 -0.021 0.000 2.275 103 L HA -0.081 4.259 4.340 -0.000 0.000 0.215 103 L C 2.044 178.991 176.870 0.128 0.000 1.119 103 L CA 0.593 55.478 54.840 0.076 0.000 0.790 103 L CB -0.175 41.940 42.059 0.094 0.000 0.919 103 L HN 0.208 nan 8.230 nan 0.000 0.443 104 L N -1.090 120.160 121.223 0.044 0.000 2.209 104 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 104 L C 2.714 179.586 176.870 0.003 0.000 1.094 104 L CA 0.571 55.418 54.840 0.011 0.000 0.790 104 L CB -0.314 41.737 42.059 -0.012 0.000 0.932 104 L HN 0.176 nan 8.230 nan 0.000 0.447 105 R N 0.358 120.861 120.500 0.004 0.000 2.073 105 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 105 R C 2.015 178.324 176.300 0.016 0.000 1.120 105 R CA 0.950 57.049 56.100 -0.002 0.000 0.967 105 R CB 0.182 30.475 30.300 -0.012 0.000 0.862 105 R HN 0.103 nan 8.270 nan 0.000 0.436 106 K N -0.080 120.346 120.400 0.043 0.000 2.366 106 K HA 0.018 4.338 4.320 -0.000 0.000 0.198 106 K C 1.635 178.301 176.600 0.109 0.000 1.044 106 K CA 0.867 57.199 56.287 0.074 0.000 0.973 106 K CB 0.316 32.868 32.500 0.086 0.000 0.767 106 K HN 0.213 nan 8.250 nan 0.000 0.475 107 A N 1.797 124.668 122.820 0.084 0.000 1.903 107 A HA -0.136 4.184 4.320 -0.000 0.000 0.213 107 A C 2.001 179.574 177.584 -0.019 0.000 1.185 107 A CA 1.095 53.138 52.037 0.010 0.000 0.628 107 A CB -0.238 18.709 19.000 -0.088 0.000 0.830 107 A HN 0.442 nan 8.150 nan 0.000 0.446 108 E N 0.237 120.426 120.200 -0.018 0.000 2.347 108 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 108 E C 1.392 177.984 176.600 -0.013 0.000 1.008 108 E CA 1.121 57.506 56.400 -0.026 0.000 0.852 108 E CB -0.295 29.387 29.700 -0.031 0.000 0.783 108 E HN 0.709 nan 8.360 nan 0.000 0.505 109 E N 0.752 120.953 120.200 0.001 0.000 2.150 109 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 109 E C 1.987 178.594 176.600 0.011 0.000 0.985 109 E CA 0.869 57.274 56.400 0.007 0.000 0.814 109 E CB 0.014 29.724 29.700 0.016 0.000 0.752 109 E HN 0.373 nan 8.360 nan 0.000 0.466 110 L N 0.311 121.543 121.223 0.015 0.000 2.270 110 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 110 L C 2.191 179.059 176.870 -0.003 0.000 1.104 110 L CA 0.394 55.244 54.840 0.017 0.000 0.804 110 L CB -0.085 41.994 42.059 0.033 0.000 0.937 110 L HN 0.123 nan 8.230 nan 0.000 0.450 111 L N -0.439 120.771 121.223 -0.021 0.000 2.156 111 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 111 L C 1.722 178.578 176.870 -0.023 0.000 1.095 111 L CA 0.860 55.678 54.840 -0.037 0.000 0.770 111 L CB -0.429 41.596 42.059 -0.056 0.000 0.914 111 L HN 0.216 nan 8.230 nan 0.000 0.439 112 D N -0.388 120.003 120.400 -0.014 0.000 2.269 112 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 112 D C 1.809 178.109 176.300 -0.001 0.000 0.963 112 D CA 0.822 54.817 54.000 -0.008 0.000 0.864 112 D CB 0.058 40.854 40.800 -0.008 0.000 0.936 112 D HN 0.329 nan 8.370 nan 0.000 0.505 113 Q N 0.053 119.854 119.800 0.003 0.000 2.320 113 Q HA 0.117 4.457 4.340 -0.000 0.000 0.201 113 Q C -0.212 175.796 176.000 0.013 0.000 0.910 113 Q CA -0.133 55.676 55.803 0.009 0.000 0.946 113 Q CB 0.346 29.092 28.738 0.013 0.000 1.062 113 Q HN 0.135 nan 8.270 nan 0.000 0.503 114 N N -0.336 118.371 118.700 0.011 0.000 2.741 114 N HA -0.140 4.600 4.740 -0.000 0.000 0.250 114 N C -0.991 174.542 175.510 0.039 0.000 1.115 114 N CA 0.496 53.559 53.050 0.023 0.000 0.724 114 N CB -1.517 36.986 38.487 0.026 0.000 1.090 114 N HN 0.034 nan 8.380 nan 0.000 0.558 115 V N 1.843 121.775 119.914 0.030 0.000 2.427 115 V HA 0.052 4.172 4.120 -0.000 0.000 0.268 115 V C 1.113 177.236 176.094 0.049 0.000 1.046 115 V CA -0.453 61.875 62.300 0.047 0.000 0.970 115 V CB 1.027 32.872 31.823 0.037 0.000 1.001 115 V HN 0.239 nan 8.190 nan 0.000 0.476 116 H N 8.064 127.130 119.070 -0.006 0.000 2.848 116 H HA 0.078 4.634 4.556 -0.000 0.000 0.341 116 H C -1.610 173.706 175.328 -0.021 0.000 1.060 116 H CA -1.270 54.772 56.048 -0.011 0.000 1.444 116 H CB 1.845 31.602 29.762 -0.007 0.000 1.446 116 H HN 0.385 nan 8.280 nan 0.000 0.583 117 P HA -0.173 nan 4.420 nan 0.000 0.217 117 P C 1.339 178.608 177.300 -0.053 0.000 1.148 117 P CA 2.324 65.289 63.100 -0.225 0.000 0.834 117 P CB 0.052 31.562 31.700 -0.318 0.000 0.783 118 T N -3.968 110.669 114.554 0.139 0.000 3.023 118 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 118 T C 1.612 176.373 174.700 0.103 0.000 1.093 118 T CA 0.612 62.799 62.100 0.146 0.000 1.129 118 T CB -0.701 68.287 68.868 0.200 0.000 0.899 118 T HN -0.046 nan 8.240 nan 0.000 0.491 119 I N 1.243 121.884 120.570 0.118 0.000 2.716 119 I HA 0.041 4.211 4.170 -0.000 0.000 0.259 119 I C 2.493 178.648 176.117 0.063 0.000 1.172 119 I CA 0.419 61.765 61.300 0.077 0.000 1.478 119 I CB -1.121 36.926 38.000 0.079 0.000 1.104 119 I HN 0.175 nan 8.210 nan 0.000 0.439 120 V N 0.475 120.406 119.914 0.028 0.000 2.323 120 V HA -0.157 3.963 4.120 -0.000 0.000 0.244 120 V C 2.561 178.641 176.094 -0.024 0.000 1.041 120 V CA 1.182 63.472 62.300 -0.017 0.000 1.025 120 V CB -0.491 31.238 31.823 -0.157 0.000 0.656 120 V HN 0.245 nan 8.190 nan 0.000 0.451 121 V N -0.289 119.599 119.914 -0.043 0.000 2.759 121 V HA -0.185 3.935 4.120 -0.000 0.000 0.256 121 V C 2.408 178.542 176.094 0.066 0.000 1.080 121 V CA 2.067 64.368 62.300 0.002 0.000 1.101 121 V CB -0.313 31.503 31.823 -0.011 0.000 0.698 121 V HN 0.546 nan 8.190 nan 0.000 0.477 122 K N -0.480 119.958 120.400 0.063 0.000 2.103 122 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 122 K C 1.984 178.622 176.600 0.063 0.000 1.052 122 K CA 1.331 57.651 56.287 0.055 0.000 0.945 122 K CB -0.361 32.165 32.500 0.044 0.000 0.722 122 K HN 0.540 nan 8.250 nan 0.000 0.443 123 G N -0.824 108.040 108.800 0.106 0.000 2.426 123 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.214 123 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.214 123 G C 1.183 176.122 174.900 0.066 0.000 1.156 123 G CA 0.212 45.370 45.100 0.097 0.000 0.802 123 G HN 0.271 nan 8.290 nan 0.000 0.534 124 Y N 0.329 120.593 120.300 -0.060 0.000 2.224 124 Y HA -0.132 4.418 4.550 0.000 0.000 0.289 124 Y C 3.106 178.827 175.900 -0.298 0.000 1.146 124 Y CA 1.569 59.594 58.100 -0.125 0.000 1.182 124 Y CB 0.158 38.696 38.460 0.129 0.000 0.983 124 Y HN 0.214 nan 8.280 nan 0.000 0.524 125 Q N -0.126 119.682 119.800 0.014 0.000 2.083 125 Q HA -0.151 4.189 4.340 -0.000 0.000 0.198 125 Q C 2.369 178.306 176.000 -0.104 0.000 0.969 125 Q CA 1.088 56.870 55.803 -0.036 0.000 0.838 125 Q CB -0.139 28.610 28.738 0.019 0.000 0.900 125 Q HN 0.475 nan 8.270 nan 0.000 0.436 126 A N 0.509 123.285 122.820 -0.074 0.000 1.969 126 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 126 A C 2.152 179.698 177.584 -0.062 0.000 1.169 126 A CA 1.455 53.476 52.037 -0.026 0.000 0.635 126 A CB -0.570 18.453 19.000 0.039 0.000 0.810 126 A HN 0.499 nan 8.150 nan 0.000 0.445 127 A N -0.287 122.381 122.820 -0.255 0.000 1.930 127 A HA 0.311 4.631 4.320 -0.000 0.000 0.215 127 A C 2.411 179.672 177.584 -0.539 0.000 1.176 127 A CA 1.574 53.367 52.037 -0.406 0.000 0.632 127 A CB -0.799 17.764 19.000 -0.727 0.000 0.819 127 A HN 0.954 nan 8.150 nan 0.000 0.445 128 A N -0.956 121.466 122.820 -0.663 0.000 2.014 128 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 128 A C 2.078 179.577 177.584 -0.142 0.000 1.163 128 A CA 1.569 53.432 52.037 -0.291 0.000 0.652 128 A CB -0.414 18.505 19.000 -0.135 0.000 0.808 128 A HN 0.623 nan 8.150 nan 0.000 0.449 129 Q N -0.908 118.801 119.800 -0.153 0.000 2.172 129 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 129 Q C 1.954 177.869 176.000 -0.142 0.000 0.964 129 Q CA 1.604 57.345 55.803 -0.103 0.000 0.855 129 Q CB 0.018 28.715 28.738 -0.068 0.000 0.918 129 Q HN 0.485 nan 8.270 nan 0.000 0.444 130 K N -0.326 119.932 120.400 -0.237 0.000 2.211 130 K HA 0.108 4.428 4.320 -0.000 0.000 0.201 130 K C 1.582 178.023 176.600 -0.264 0.000 1.052 130 K CA 0.963 57.027 56.287 -0.372 0.000 0.973 130 K CB -0.121 31.844 32.500 -0.892 0.000 0.766 130 K HN 0.191 nan 8.250 nan 0.000 0.466 131 A N 0.624 123.335 122.820 -0.181 0.000 1.972 131 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 131 A C 1.901 179.453 177.584 -0.052 0.000 1.169 131 A CA 1.270 53.261 52.037 -0.076 0.000 0.635 131 A CB -0.406 18.612 19.000 0.029 0.000 0.810 131 A HN 0.314 nan 8.150 nan 0.000 0.446 132 Q N -0.190 119.576 119.800 -0.056 0.000 2.172 132 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 132 Q C 1.848 177.822 176.000 -0.044 0.000 0.964 132 Q CA 1.588 57.370 55.803 -0.036 0.000 0.855 132 Q CB -0.253 28.468 28.738 -0.028 0.000 0.918 132 Q HN 1.016 nan 8.270 nan 0.000 0.444 133 E N -0.337 119.821 120.200 -0.069 0.000 2.442 133 E HA -0.002 4.348 4.350 -0.000 0.000 0.195 133 E C 1.722 178.284 176.600 -0.064 0.000 1.030 133 E CA 0.102 56.464 56.400 -0.064 0.000 0.869 133 E CB -0.012 29.645 29.700 -0.073 0.000 0.857 133 E HN 0.224 nan 8.360 nan 0.000 0.505 134 L N 0.396 121.573 121.223 -0.076 0.000 2.354 134 L HA 0.089 4.429 4.340 -0.000 0.000 0.212 134 L C 2.283 179.135 176.870 -0.031 0.000 1.091 134 L CA 0.197 55.001 54.840 -0.060 0.000 0.828 134 L CB 0.017 42.028 42.059 -0.080 0.000 0.973 134 L HN 0.155 nan 8.230 nan 0.000 0.461 135 L N -0.298 120.909 121.223 -0.026 0.000 2.217 135 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 135 L C 2.387 179.252 176.870 -0.008 0.000 1.107 135 L CA 1.142 55.975 54.840 -0.011 0.000 0.783 135 L CB -0.215 41.840 42.059 -0.007 0.000 0.919 135 L HN 0.189 nan 8.230 nan 0.000 0.442 136 K N -0.627 119.764 120.400 -0.013 0.000 2.148 136 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 136 K C 2.057 178.653 176.600 -0.007 0.000 1.050 136 K CA 1.786 58.067 56.287 -0.010 0.000 0.942 136 K CB -0.160 32.333 32.500 -0.013 0.000 0.724 136 K HN 0.437 nan 8.250 nan 0.000 0.446 137 T N -0.019 114.530 114.554 -0.009 0.000 2.942 137 T HA -0.039 4.311 4.350 -0.000 0.000 0.265 137 T C 1.923 176.624 174.700 0.001 0.000 1.062 137 T CA 0.772 62.869 62.100 -0.005 0.000 1.139 137 T CB -0.438 68.426 68.868 -0.007 0.000 0.883 137 T HN 0.359 nan 8.240 nan 0.000 0.468 138 I N -0.391 120.182 120.570 0.004 0.000 3.728 138 I HA 0.550 4.720 4.170 -0.000 0.000 0.307 138 I C 1.078 177.202 176.117 0.012 0.000 1.276 138 I CA -0.787 60.520 61.300 0.012 0.000 1.285 138 I CB -0.399 37.615 38.000 0.022 0.000 1.038 138 I HN 0.122 nan 8.210 nan 0.000 0.445 139 A N 1.126 123.950 122.820 0.007 0.000 2.401 139 A HA 0.458 4.778 4.320 -0.000 0.000 0.259 139 A C 0.001 177.588 177.584 0.005 0.000 1.103 139 A CA -0.334 51.707 52.037 0.006 0.000 0.789 139 A CB 0.034 19.037 19.000 0.004 0.000 1.035 139 A HN 0.514 nan 8.150 nan 0.000 0.491 140 C N 2.190 121.494 119.300 0.006 0.000 2.401 140 C HA 0.470 4.930 4.460 -0.000 0.000 0.365 140 C C 0.274 175.266 174.990 0.004 0.000 1.250 140 C CA -0.730 58.291 59.018 0.005 0.000 2.131 140 C CB 0.247 27.990 27.740 0.005 0.000 2.445 140 C HN 0.785 nan 8.230 nan 0.000 0.550 141 E N 1.738 121.939 120.200 0.003 0.000 2.167 141 E HA 0.264 4.614 4.350 -0.000 0.000 0.284 141 E C -0.805 175.796 176.600 0.003 0.000 1.016 141 E CA -0.100 56.301 56.400 0.002 0.000 0.817 141 E CB 1.406 31.107 29.700 0.002 0.000 1.080 141 E HN 0.427 nan 8.360 nan 0.000 0.397 142 V N 2.868 122.784 119.914 0.003 0.000 2.225 142 V HA 0.201 4.321 4.120 -0.000 0.000 0.264 142 V C 0.734 176.829 176.094 0.003 0.000 1.067 142 V CA -0.748 61.554 62.300 0.003 0.000 0.903 142 V CB 0.831 32.655 31.823 0.003 0.000 1.136 142 V HN 0.823 nan 8.190 nan 0.000 0.456 143 G N 3.144 111.946 108.800 0.003 0.000 2.855 143 G HA2 0.001 3.961 3.960 -0.000 0.000 0.289 143 G HA3 0.001 3.961 3.960 -0.000 0.000 0.289 143 G C 1.255 176.157 174.900 0.003 0.000 0.364 143 G CA 0.403 45.505 45.100 0.003 0.000 1.168 143 G HN 1.059 nan 8.290 nan 0.000 0.195 144 A N 2.341 125.163 122.820 0.004 0.000 2.042 144 A HA -0.162 4.158 4.320 -0.000 0.000 0.222 144 A C 2.020 179.606 177.584 0.004 0.000 1.167 144 A CA 2.067 54.107 52.037 0.004 0.000 0.649 144 A CB -0.055 18.948 19.000 0.005 0.000 0.809 144 A HN 0.751 nan 8.150 nan 0.000 0.457 145 Q N -0.744 119.059 119.800 0.005 0.000 2.165 145 Q HA 0.080 4.420 4.340 -0.000 0.000 0.245 145 Q C -0.788 175.215 176.000 0.004 0.000 0.841 145 Q CA -0.313 55.493 55.803 0.005 0.000 1.078 145 Q CB 0.498 29.241 28.738 0.008 0.000 1.169 145 Q HN 0.455 nan 8.270 nan 0.000 0.475 146 D N 1.373 121.775 120.400 0.003 0.000 2.470 146 D HA 0.025 4.665 4.640 -0.000 0.000 0.226 146 D C 0.549 176.850 176.300 0.002 0.000 1.196 146 D CA 0.245 54.247 54.000 0.003 0.000 0.979 146 D CB 0.541 41.343 40.800 0.003 0.000 1.059 146 D HN 0.125 nan 8.370 nan 0.000 0.515 147 K N 1.546 121.947 120.400 0.002 0.000 2.209 147 K HA -0.169 4.151 4.320 -0.000 0.000 0.204 147 K C 1.816 178.417 176.600 0.001 0.000 1.048 147 K CA 0.965 57.252 56.287 0.001 0.000 0.940 147 K CB 0.248 32.749 32.500 0.002 0.000 0.729 147 K HN 0.526 nan 8.250 nan 0.000 0.451 148 E N 0.815 121.015 120.200 0.001 0.000 2.152 148 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 148 E C 1.766 178.367 176.600 0.000 0.000 0.983 148 E CA 0.964 57.364 56.400 0.000 0.000 0.818 148 E CB -0.214 29.486 29.700 0.000 0.000 0.758 148 E HN 0.283 nan 8.360 nan 0.000 0.467 149 I N 0.766 121.337 120.570 0.001 0.000 2.480 149 I HA -0.119 4.051 4.170 -0.000 0.000 0.251 149 I C 2.308 178.426 176.117 0.002 0.000 1.124 149 I CA 0.429 61.730 61.300 0.002 0.000 1.444 149 I CB -0.086 37.915 38.000 0.002 0.000 1.098 149 I HN 0.075 nan 8.210 nan 0.000 0.428 150 L N 0.395 121.619 121.223 0.001 0.000 2.131 150 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 150 L C 2.546 179.416 176.870 0.001 0.000 1.092 150 L CA 1.405 56.245 54.840 0.001 0.000 0.759 150 L CB -0.859 41.201 42.059 0.000 0.000 0.903 150 L HN 0.264 nan 8.230 nan 0.000 0.435 151 T N -0.758 113.796 114.554 0.000 0.000 2.821 151 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 151 T C 1.895 176.595 174.700 -0.000 0.000 1.046 151 T CA 1.091 63.191 62.100 -0.001 0.000 1.139 151 T CB -0.039 68.828 68.868 -0.001 0.000 0.871 151 T HN 0.300 nan 8.240 nan 0.000 0.454 152 K N 0.622 121.022 120.400 0.001 0.000 2.097 152 K HA 0.078 4.398 4.320 -0.000 0.000 0.205 152 K C 2.163 178.765 176.600 0.004 0.000 1.050 152 K CA 0.990 57.279 56.287 0.002 0.000 0.938 152 K CB -0.280 32.221 32.500 0.002 0.000 0.718 152 K HN 0.318 nan 8.250 nan 0.000 0.442 153 I N 1.026 121.598 120.570 0.004 0.000 2.252 153 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 153 I C 2.477 178.597 176.117 0.005 0.000 1.102 153 I CA 1.110 62.413 61.300 0.005 0.000 1.385 153 I CB -0.321 37.682 38.000 0.005 0.000 1.064 153 I HN 0.124 nan 8.210 nan 0.000 0.414 154 A N 0.159 122.981 122.820 0.003 0.000 1.930 154 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 154 A C 2.290 179.876 177.584 0.003 0.000 1.175 154 A CA 1.644 53.682 52.037 0.002 0.000 0.627 154 A CB -0.550 18.450 19.000 0.000 0.000 0.815 154 A HN 0.368 nan 8.150 nan 0.000 0.443 155 M N -0.163 119.438 119.600 0.002 0.000 2.159 155 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 155 M C 1.929 178.232 176.300 0.006 0.000 1.063 155 M CA 2.190 57.490 55.300 0.001 0.000 1.110 155 M CB -0.470 32.128 32.600 -0.002 0.000 1.374 155 M HN 0.368 nan 8.290 nan 0.000 0.411 156 T N -1.147 113.413 114.554 0.010 0.000 2.915 156 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 156 T C 1.946 176.658 174.700 0.019 0.000 1.071 156 T CA 1.503 63.614 62.100 0.018 0.000 1.132 156 T CB -0.330 68.549 68.868 0.018 0.000 0.878 156 T HN 0.456 nan 8.240 nan 0.000 0.479 157 S N 0.598 116.306 115.700 0.014 0.000 2.377 157 S HA 0.051 4.521 4.470 -0.000 0.000 0.223 157 S C 1.976 176.585 174.600 0.014 0.000 1.030 157 S CA 0.460 58.667 58.200 0.013 0.000 0.970 157 S CB -0.357 62.848 63.200 0.008 0.000 0.830 157 S HN 0.470 nan 8.310 nan 0.000 0.473 158 I N 1.257 121.833 120.570 0.012 0.000 2.315 158 I HA -0.067 4.103 4.170 -0.000 0.000 0.248 158 I C 0.831 176.959 176.117 0.018 0.000 1.117 158 I CA 0.556 61.863 61.300 0.011 0.000 1.404 158 I CB -0.760 37.244 38.000 0.006 0.000 1.071 158 I HN 0.180 nan 8.210 nan 0.000 0.419 159 T N 1.007 115.574 114.554 0.021 0.000 2.930 159 T HA 0.353 4.703 4.350 -0.000 0.000 0.306 159 T C 1.055 175.785 174.700 0.051 0.000 1.045 159 T CA 0.633 62.755 62.100 0.037 0.000 1.134 159 T CB 1.217 70.107 68.868 0.038 0.000 0.961 159 T HN 0.641 nan 8.240 nan 0.000 0.545 160 G N 2.482 111.325 108.800 0.072 0.000 2.376 160 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.208 160 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.208 160 G C 0.934 175.863 174.900 0.049 0.000 1.032 160 G CA 0.127 45.264 45.100 0.063 0.000 0.641 160 G HN 0.618 nan 8.290 nan 0.000 0.503 161 K N 0.718 121.141 120.400 0.040 0.000 2.356 161 K HA 0.469 4.789 4.320 -0.000 0.000 0.195 161 K C 0.921 177.543 176.600 0.036 0.000 1.037 161 K CA 0.770 57.076 56.287 0.032 0.000 1.014 161 K CB 0.783 33.297 32.500 0.023 0.000 0.815 161 K HN 1.033 nan 8.250 nan 0.000 0.507 162 G N -0.320 108.506 108.800 0.043 0.000 2.270 162 G HA2 0.301 4.261 3.960 -0.000 0.000 0.295 162 G HA3 0.301 4.261 3.960 -0.000 0.000 0.295 162 G C -0.141 174.775 174.900 0.026 0.000 1.732 162 G CA -0.314 44.811 45.100 0.040 0.000 0.909 162 G HN -0.033 nan 8.290 nan 0.000 0.730 163 A N 1.183 124.014 122.820 0.018 0.000 1.968 163 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 163 A C 2.094 179.656 177.584 -0.038 0.000 1.169 163 A CA 2.017 54.032 52.037 -0.038 0.000 0.638 163 A CB -0.185 18.749 19.000 -0.111 0.000 0.812 163 A HN 0.908 nan 8.150 nan 0.000 0.446 164 E N 1.073 121.262 120.200 -0.018 0.000 2.208 164 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 164 E C 1.424 178.019 176.600 -0.008 0.000 0.988 164 E CA 1.313 57.704 56.400 -0.014 0.000 0.828 164 E CB -0.399 29.298 29.700 -0.005 0.000 0.763 164 E HN 0.628 nan 8.360 nan 0.000 0.478 165 K N 0.848 121.247 120.400 -0.002 0.000 2.155 165 K HA 0.116 4.436 4.320 -0.000 0.000 0.203 165 K C 0.975 177.573 176.600 -0.004 0.000 1.052 165 K CA 0.864 57.152 56.287 0.001 0.000 0.948 165 K CB 0.061 32.566 32.500 0.008 0.000 0.728 165 K HN 0.116 nan 8.250 nan 0.000 0.448 166 A N 2.686 125.500 122.820 -0.010 0.000 2.805 166 A HA 0.103 4.423 4.320 -0.000 0.000 0.301 166 A C -0.386 177.186 177.584 -0.021 0.000 1.557 166 A CA -0.006 52.023 52.037 -0.014 0.000 1.254 166 A CB -0.258 18.731 19.000 -0.019 0.000 1.114 166 A HN 0.072 nan 8.150 nan 0.000 0.553 167 K N 1.320 121.712 120.400 -0.015 0.000 2.259 167 K HA 0.268 4.588 4.320 -0.000 0.000 0.252 167 K C 0.473 177.066 176.600 -0.012 0.000 0.936 167 K CA -0.731 55.547 56.287 -0.015 0.000 0.810 167 K CB 0.999 33.492 32.500 -0.011 0.000 1.143 167 K HN 0.541 nan 8.250 nan 0.000 0.427 168 E N 2.081 122.273 120.200 -0.014 0.000 2.114 168 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 168 E C 0.873 177.469 176.600 -0.007 0.000 1.008 168 E CA 1.748 58.141 56.400 -0.011 0.000 0.810 168 E CB 0.227 29.921 29.700 -0.012 0.000 0.739 168 E HN 0.503 nan 8.360 nan 0.000 0.456 169 K N 0.073 120.469 120.400 -0.006 0.000 2.217 169 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 169 K C 2.180 178.779 176.600 -0.002 0.000 1.051 169 K CA 0.286 56.571 56.287 -0.003 0.000 0.952 169 K CB -0.071 32.428 32.500 -0.002 0.000 0.736 169 K HN 0.005 nan 8.250 nan 0.000 0.453 170 L N 0.884 122.106 121.223 -0.003 0.000 2.056 170 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 170 L C 2.152 179.021 176.870 -0.002 0.000 1.078 170 L CA 1.511 56.350 54.840 -0.002 0.000 0.749 170 L CB -0.409 41.649 42.059 -0.002 0.000 0.901 170 L HN 0.069 nan 8.230 nan 0.000 0.433 171 A N -1.095 121.723 122.820 -0.003 0.000 2.015 171 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 171 A C 2.120 179.702 177.584 -0.003 0.000 1.163 171 A CA 1.472 53.508 52.037 -0.003 0.000 0.646 171 A CB -0.504 18.494 19.000 -0.003 0.000 0.806 171 A HN 0.588 nan 8.150 nan 0.000 0.448 172 E N -0.387 119.811 120.200 -0.002 0.000 2.208 172 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 172 E C 1.677 178.276 176.600 -0.002 0.000 0.988 172 E CA 0.883 57.282 56.400 -0.002 0.000 0.828 172 E CB -0.191 29.508 29.700 -0.002 0.000 0.763 172 E HN 0.715 nan 8.360 nan 0.000 0.478 173 I N 0.724 121.293 120.570 -0.001 0.000 2.286 173 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 173 I C 2.189 178.304 176.117 -0.004 0.000 1.104 173 I CA 0.880 62.179 61.300 -0.001 0.000 1.397 173 I CB -0.097 37.903 38.000 0.000 0.000 1.072 173 I HN 0.070 nan 8.210 nan 0.000 0.417 174 I N -0.023 120.544 120.570 -0.004 0.000 2.226 174 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 174 I C 2.477 178.590 176.117 -0.007 0.000 1.100 174 I CA 1.058 62.354 61.300 -0.006 0.000 1.374 174 I CB -0.428 37.569 38.000 -0.004 0.000 1.057 174 I HN -0.003 nan 8.210 nan 0.000 0.413 175 V N 0.650 120.561 119.914 -0.005 0.000 2.407 175 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 175 V C 2.472 178.561 176.094 -0.008 0.000 1.055 175 V CA 2.036 64.333 62.300 -0.005 0.000 1.049 175 V CB -0.669 31.152 31.823 -0.003 0.000 0.662 175 V HN 0.474 nan 8.190 nan 0.000 0.455 176 E N -0.040 120.155 120.200 -0.008 0.000 2.150 176 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 176 E C 2.215 178.804 176.600 -0.018 0.000 0.985 176 E CA 1.153 57.547 56.400 -0.010 0.000 0.814 176 E CB -0.131 29.564 29.700 -0.007 0.000 0.752 176 E HN 0.608 nan 8.360 nan 0.000 0.466 177 A N 0.107 122.917 122.820 -0.018 0.000 1.898 177 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 177 A C 2.297 179.865 177.584 -0.027 0.000 1.183 177 A CA 0.996 53.019 52.037 -0.024 0.000 0.622 177 A CB -0.303 18.686 19.000 -0.019 0.000 0.824 177 A HN 0.187 nan 8.150 nan 0.000 0.444 178 V N -0.078 119.824 119.914 -0.020 0.000 2.453 178 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 178 V C 2.559 178.641 176.094 -0.020 0.000 1.048 178 V CA 2.112 64.401 62.300 -0.018 0.000 1.049 178 V CB -0.709 31.107 31.823 -0.012 0.000 0.672 178 V HN 0.500 nan 8.190 nan 0.000 0.457 179 S N 0.323 116.012 115.700 -0.018 0.000 2.474 179 S HA -0.003 4.467 4.470 -0.000 0.000 0.235 179 S C 2.051 176.634 174.600 -0.029 0.000 0.997 179 S CA 1.126 59.316 58.200 -0.016 0.000 0.949 179 S CB -0.186 63.009 63.200 -0.009 0.000 0.766 179 S HN 0.644 nan 8.310 nan 0.000 0.517 180 A N 1.068 123.859 122.820 -0.049 0.000 1.984 180 A HA 0.116 4.436 4.320 -0.000 0.000 0.214 180 A C 2.040 179.561 177.584 -0.106 0.000 1.173 180 A CA 0.864 52.845 52.037 -0.094 0.000 0.673 180 A CB -0.433 18.505 19.000 -0.104 0.000 0.830 180 A HN 0.496 nan 8.150 nan 0.000 0.453 181 V N -1.982 117.892 119.914 -0.066 0.000 3.630 181 V HA 0.188 4.308 4.120 -0.000 0.000 0.273 181 V C 0.491 176.566 176.094 -0.032 0.000 1.248 181 V CA -0.150 62.118 62.300 -0.053 0.000 1.170 181 V CB -1.029 30.771 31.823 -0.040 0.000 0.899 181 V HN 0.064 nan 8.190 nan 0.000 0.457 182 V N 4.341 124.239 119.914 -0.025 0.000 2.446 182 V HA 0.134 4.254 4.120 -0.000 0.000 0.276 182 V C 0.296 176.394 176.094 0.006 0.000 1.030 182 V CA -0.257 62.039 62.300 -0.007 0.000 1.033 182 V CB 0.328 32.151 31.823 -0.000 0.000 0.993 182 V HN 0.723 nan 8.190 nan 0.000 0.477 183 D N 4.279 124.684 120.400 0.009 0.000 2.352 183 D HA 0.079 4.719 4.640 -0.000 0.000 0.245 183 D C -0.423 175.891 176.300 0.022 0.000 1.224 183 D CA -0.569 53.443 54.000 0.020 0.000 0.879 183 D CB 0.877 41.685 40.800 0.014 0.000 1.057 183 D HN 0.391 nan 8.370 nan 0.000 0.491 184 D N 2.776 123.196 120.400 0.033 0.000 2.371 184 D HA 0.129 4.769 4.640 -0.000 0.000 0.256 184 D C 0.088 176.400 176.300 0.020 0.000 1.193 184 D CA 0.396 54.412 54.000 0.028 0.000 0.881 184 D CB 1.174 41.995 40.800 0.036 0.000 1.143 184 D HN 0.466 nan 8.370 nan 0.000 0.473 185 E N 0.188 120.396 120.200 0.014 0.000 2.234 185 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 185 E C 0.080 176.685 176.600 0.009 0.000 0.877 185 E CA -0.891 55.517 56.400 0.013 0.000 0.758 185 E CB 2.187 31.894 29.700 0.011 0.000 1.170 185 E HN 0.508 nan 8.360 nan 0.000 0.415 186 G N 2.942 111.747 108.800 0.008 0.000 5.648 186 G HA2 0.026 3.986 3.960 -0.000 0.000 0.192 186 G HA3 0.026 3.986 3.960 -0.000 0.000 0.192 186 G C -0.142 174.762 174.900 0.006 0.000 0.694 186 G CA -0.448 44.657 45.100 0.009 0.000 0.654 186 G HN 0.077 nan 8.290 nan 0.000 0.324 187 K N 0.109 120.512 120.400 0.005 0.000 2.102 187 K HA 0.602 4.922 4.320 -0.000 0.000 0.244 187 K C -0.198 176.402 176.600 0.001 0.000 1.021 187 K CA -0.473 55.815 56.287 0.003 0.000 0.913 187 K CB 2.157 34.659 32.500 0.002 0.000 1.062 187 K HN 0.001 nan 8.250 nan 0.000 0.485 188 V N 1.554 121.467 119.914 -0.001 0.000 2.378 188 V HA 0.082 4.202 4.120 -0.000 0.000 0.288 188 V C -0.550 175.541 176.094 -0.005 0.000 1.016 188 V CA -0.908 61.389 62.300 -0.004 0.000 0.840 188 V CB 1.479 33.299 31.823 -0.005 0.000 0.994 188 V HN 0.621 nan 8.190 nan 0.000 0.431 189 D N 3.437 123.833 120.400 -0.008 0.000 2.317 189 D HA 0.358 4.998 4.640 -0.000 0.000 0.234 189 D C 0.783 177.076 176.300 -0.012 0.000 1.112 189 D CA -0.418 53.577 54.000 -0.009 0.000 0.840 189 D CB 1.775 42.570 40.800 -0.009 0.000 1.078 189 D HN 0.334 nan 8.370 nan 0.000 0.486 190 K N 1.608 122.002 120.400 -0.011 0.000 2.288 190 K HA 0.012 4.332 4.320 -0.000 0.000 0.201 190 K C 0.835 177.426 176.600 -0.015 0.000 1.048 190 K CA 0.641 56.921 56.287 -0.012 0.000 0.956 190 K CB 0.282 32.776 32.500 -0.010 0.000 0.746 190 K HN 0.402 nan 8.250 nan 0.000 0.461 191 D N 0.244 120.635 120.400 -0.015 0.000 2.317 191 D HA -0.043 4.597 4.640 -0.000 0.000 0.211 191 D C 1.417 177.704 176.300 -0.022 0.000 0.966 191 D CA 0.629 54.618 54.000 -0.018 0.000 0.876 191 D CB 0.143 40.933 40.800 -0.016 0.000 0.927 191 D HN 0.169 nan 8.370 nan 0.000 0.519 192 L N 0.350 121.560 121.223 -0.022 0.000 2.291 192 L HA 0.021 4.361 4.340 -0.000 0.000 0.214 192 L C 0.875 177.727 176.870 -0.030 0.000 1.120 192 L CA 0.463 55.288 54.840 -0.026 0.000 0.799 192 L CB -0.041 42.004 42.059 -0.025 0.000 0.925 192 L HN -0.105 nan 8.230 nan 0.000 0.446 193 I N 0.860 121.413 120.570 -0.028 0.000 2.312 193 I HA 0.112 4.282 4.170 -0.000 0.000 0.291 193 I C 0.033 176.130 176.117 -0.033 0.000 1.031 193 I CA -0.373 60.910 61.300 -0.030 0.000 1.293 193 I CB 0.610 38.595 38.000 -0.025 0.000 1.403 193 I HN -0.093 nan 8.210 nan 0.000 0.484 194 K N 7.358 127.735 120.400 -0.039 0.000 2.205 194 K HA 0.540 4.860 4.320 -0.000 0.000 0.279 194 K C -0.478 176.095 176.600 -0.044 0.000 1.027 194 K CA -0.416 55.844 56.287 -0.046 0.000 0.932 194 K CB 1.811 34.276 32.500 -0.058 0.000 1.032 194 K HN 0.516 nan 8.250 nan 0.000 0.466 195 I N 2.130 122.674 120.570 -0.044 0.000 2.339 195 I HA 0.153 4.323 4.170 -0.000 0.000 0.290 195 I C 0.028 176.115 176.117 -0.049 0.000 0.994 195 I CA -0.665 60.611 61.300 -0.040 0.000 1.191 195 I CB 1.529 39.510 38.000 -0.032 0.000 1.343 195 I HN 0.429 nan 8.210 nan 0.000 0.458 196 E N 6.154 126.322 120.200 -0.053 0.000 2.187 196 E HA 0.382 4.732 4.350 -0.000 0.000 0.268 196 E C -1.203 175.367 176.600 -0.050 0.000 0.896 196 E CA -0.702 55.661 56.400 -0.063 0.000 0.766 196 E CB 1.275 30.923 29.700 -0.088 0.000 1.142 196 E HN 0.291 nan 8.360 nan 0.000 0.408 197 K N 4.150 124.520 120.400 -0.049 0.000 2.347 197 K HA 0.391 4.711 4.320 -0.000 0.000 0.262 197 K C -0.676 175.900 176.600 -0.039 0.000 1.052 197 K CA -0.819 55.444 56.287 -0.040 0.000 0.946 197 K CB 0.887 33.362 32.500 -0.041 0.000 1.220 197 K HN 0.189 nan 8.250 nan 0.000 0.450 198 K N 1.002 121.383 120.400 -0.031 0.000 2.435 198 K HA 0.326 4.646 4.320 -0.000 0.000 0.251 198 K C 0.197 176.793 176.600 -0.007 0.000 0.954 198 K CA -0.555 55.719 56.287 -0.022 0.000 0.820 198 K CB 1.993 34.478 32.500 -0.025 0.000 1.292 198 K HN 0.634 nan 8.250 nan 0.000 0.436 199 S N -0.473 115.227 115.700 -0.000 0.000 2.481 199 S HA 0.769 5.239 4.470 -0.000 0.000 0.267 199 S C 0.440 175.050 174.600 0.017 0.000 1.174 199 S CA 0.210 58.414 58.200 0.007 0.000 1.027 199 S CB 0.442 63.646 63.200 0.005 0.000 1.117 199 S HN 0.987 nan 8.310 nan 0.000 0.495 200 G N -0.975 107.836 108.800 0.018 0.000 2.697 200 G HA2 0.444 4.404 3.960 -0.000 0.000 0.686 200 G HA3 0.444 4.404 3.960 -0.000 0.000 0.686 200 G C -0.139 174.773 174.900 0.019 0.000 1.179 200 G CA -0.468 44.645 45.100 0.022 0.000 0.765 200 G HN 1.731 nan 8.290 nan 0.000 0.649 201 A N 1.360 124.191 122.820 0.018 0.000 2.535 201 A HA 0.647 4.967 4.320 -0.000 0.000 0.290 201 A C 1.141 178.734 177.584 0.016 0.000 1.270 201 A CA 1.831 53.877 52.037 0.015 0.000 0.937 201 A CB -0.037 18.971 19.000 0.013 0.000 1.096 201 A HN 2.238 nan 8.150 nan 0.000 0.534 202 S N 1.688 117.397 115.700 0.015 0.000 4.107 202 S HA 0.564 5.034 4.470 -0.000 0.000 0.196 202 S C 1.136 175.743 174.600 0.012 0.000 1.125 202 S CA 0.507 58.716 58.200 0.015 0.000 1.614 202 S CB -0.419 62.792 63.200 0.018 0.000 1.234 202 S HN 1.153 nan 8.310 nan 0.000 0.799 203 I N 0.753 121.330 120.570 0.012 0.000 4.172 203 I HA -0.360 3.810 4.170 -0.000 0.000 0.099 203 I C 0.562 176.684 176.117 0.008 0.000 0.511 203 I CA 1.984 63.289 61.300 0.009 0.000 1.179 203 I CB -1.166 36.840 38.000 0.009 0.000 1.046 203 I HN 0.440 nan 8.210 nan 0.000 0.184 204 D N 0.389 120.794 120.400 0.008 0.000 2.355 204 D HA 0.009 4.649 4.640 -0.000 0.000 0.206 204 D C 1.164 177.470 176.300 0.010 0.000 1.010 204 D CA 0.829 54.833 54.000 0.007 0.000 0.875 204 D CB -0.110 40.694 40.800 0.005 0.000 0.966 204 D HN 0.434 nan 8.370 nan 0.000 0.512 205 D N 0.264 120.672 120.400 0.014 0.000 2.336 205 D HA -0.020 4.620 4.640 -0.000 0.000 0.229 205 D C 0.149 176.463 176.300 0.024 0.000 1.061 205 D CA 0.302 54.313 54.000 0.019 0.000 0.875 205 D CB -0.390 40.423 40.800 0.022 0.000 0.904 205 D HN 0.140 nan 8.370 nan 0.000 0.525 206 T N -0.053 114.512 114.554 0.018 0.000 2.784 206 T HA 0.189 4.539 4.350 -0.000 0.000 0.291 206 T C 0.227 174.938 174.700 0.019 0.000 0.942 206 T CA -0.598 61.513 62.100 0.017 0.000 1.161 206 T CB 0.494 69.368 68.868 0.010 0.000 0.885 206 T HN 0.232 nan 8.240 nan 0.000 0.534 207 E N 2.847 123.063 120.200 0.027 0.000 2.227 207 E HA 0.551 4.901 4.350 -0.000 0.000 0.268 207 E C -0.913 175.701 176.600 0.024 0.000 0.907 207 E CA -1.396 55.022 56.400 0.030 0.000 0.786 207 E CB 1.445 31.174 29.700 0.048 0.000 1.191 207 E HN 0.515 nan 8.360 nan 0.000 0.411 208 L N 3.993 125.228 121.223 0.019 0.000 2.278 208 L HA 0.339 4.679 4.340 -0.000 0.000 0.287 208 L C -0.995 175.887 176.870 0.018 0.000 1.072 208 L CA -0.083 54.764 54.840 0.012 0.000 0.819 208 L CB 0.173 42.236 42.059 0.006 0.000 1.176 208 L HN 0.517 nan 8.230 nan 0.000 0.435 209 I N 3.732 124.310 120.570 0.013 0.000 2.910 209 I HA 0.396 4.566 4.170 -0.000 0.000 0.310 209 I C 0.159 176.283 176.117 0.011 0.000 1.043 209 I CA -0.809 60.505 61.300 0.025 0.000 1.053 209 I CB 1.701 39.712 38.000 0.019 0.000 1.242 209 I HN 0.541 nan 8.210 nan 0.000 0.452 210 K N 1.140 121.554 120.400 0.023 0.000 2.402 210 K HA 0.363 4.683 4.320 -0.000 0.000 0.204 210 K C 0.206 176.810 176.600 0.007 0.000 1.056 210 K CA -0.042 56.253 56.287 0.013 0.000 1.069 210 K CB 1.244 33.759 32.500 0.025 0.000 0.888 210 K HN 0.839 nan 8.250 nan 0.000 0.546 211 G N 0.073 108.873 108.800 -0.002 0.000 2.682 211 G HA2 0.388 4.348 3.960 -0.000 0.000 0.300 211 G HA3 0.388 4.348 3.960 -0.000 0.000 0.300 211 G C -0.786 174.070 174.900 -0.074 0.000 1.391 211 G CA -0.663 44.425 45.100 -0.019 0.000 0.990 211 G HN -0.084 nan 8.290 nan 0.000 0.501 212 V N 1.258 121.114 119.914 -0.098 0.000 2.814 212 V HA 0.025 4.145 4.120 -0.000 0.000 0.307 212 V C 0.365 176.348 176.094 -0.185 0.000 1.089 212 V CA 0.112 62.325 62.300 -0.145 0.000 1.212 212 V CB 1.103 32.815 31.823 -0.185 0.000 0.912 212 V HN 0.572 nan 8.190 nan 0.000 0.497 213 L N 6.025 127.115 121.223 -0.222 0.000 2.283 213 L HA 0.428 4.768 4.340 -0.000 0.000 0.281 213 L C -0.232 176.522 176.870 -0.194 0.000 1.033 213 L CA 0.245 54.903 54.840 -0.304 0.000 0.848 213 L CB 1.330 43.141 42.059 -0.414 0.000 1.226 213 L HN 0.502 nan 8.230 nan 0.000 0.429 214 V N 3.406 123.244 119.914 -0.127 0.000 2.461 214 V HA 0.104 4.224 4.120 -0.000 0.000 0.275 214 V C 0.272 176.363 176.094 -0.004 0.000 1.047 214 V CA -0.466 61.806 62.300 -0.047 0.000 0.955 214 V CB 1.328 33.181 31.823 0.049 0.000 0.988 214 V HN 0.611 nan 8.190 nan 0.000 0.471 215 D N 5.174 125.568 120.400 -0.010 0.000 2.688 215 D HA 0.236 4.875 4.640 -0.000 0.000 0.228 215 D C 0.079 176.401 176.300 0.036 0.000 1.116 215 D CA 0.472 54.476 54.000 0.006 0.000 1.023 215 D CB -0.182 40.613 40.800 -0.009 0.000 1.100 215 D HN 0.524 nan 8.370 nan 0.000 0.487 216 K N 0.658 121.096 120.400 0.063 0.000 2.556 216 K HA 0.364 4.684 4.320 -0.000 0.000 0.289 216 K C -0.564 176.078 176.600 0.069 0.000 1.040 216 K CA -0.675 55.654 56.287 0.069 0.000 0.894 216 K CB 1.736 34.293 32.500 0.096 0.000 1.547 216 K HN 0.102 nan 8.250 nan 0.000 0.417 217 E N 0.358 120.586 120.200 0.046 0.000 2.538 217 E HA 0.340 4.690 4.350 -0.000 0.000 0.232 217 E C -0.825 175.775 176.600 -0.001 0.000 0.830 217 E CA -1.004 55.415 56.400 0.031 0.000 0.916 217 E CB 1.197 30.911 29.700 0.023 0.000 1.567 217 E HN 0.434 nan 8.360 nan 0.000 0.389 218 R N 0.388 120.881 120.500 -0.013 0.000 2.404 218 R HA 0.284 4.624 4.340 -0.000 0.000 0.291 218 R C 0.623 176.905 176.300 -0.030 0.000 1.025 218 R CA -0.410 55.667 56.100 -0.039 0.000 0.991 218 R CB 1.025 31.303 30.300 -0.037 0.000 1.053 218 R HN 0.315 nan 8.270 nan 0.000 0.479 219 V N 1.378 121.267 119.914 -0.041 0.000 2.626 219 V HA -0.083 4.037 4.120 -0.000 0.000 0.252 219 V C 0.326 176.407 176.094 -0.022 0.000 1.067 219 V CA 1.871 64.154 62.300 -0.028 0.000 1.081 219 V CB 0.206 32.011 31.823 -0.031 0.000 0.686 219 V HN 0.868 nan 8.190 nan 0.000 0.468 220 S N -1.946 113.738 115.700 -0.026 0.000 2.547 220 S HA 0.663 5.133 4.470 -0.000 0.000 0.281 220 S C 0.610 175.198 174.600 -0.021 0.000 1.118 220 S CA -0.122 58.065 58.200 -0.021 0.000 0.947 220 S CB 1.840 65.025 63.200 -0.024 0.000 1.053 220 S HN 0.441 nan 8.310 nan 0.000 0.482 221 A N 3.064 125.875 122.820 -0.014 0.000 2.209 221 A HA 0.026 4.346 4.320 -0.000 0.000 0.212 221 A C 1.748 179.323 177.584 -0.014 0.000 1.158 221 A CA 1.019 53.048 52.037 -0.012 0.000 0.742 221 A CB -0.422 18.574 19.000 -0.008 0.000 0.790 221 A HN 0.866 nan 8.150 nan 0.000 0.472 222 Q N -0.917 118.872 119.800 -0.017 0.000 2.311 222 Q HA 0.115 4.455 4.340 -0.000 0.000 0.203 222 Q C 0.397 176.379 176.000 -0.029 0.000 0.954 222 Q CA 0.130 55.920 55.803 -0.021 0.000 0.885 222 Q CB -0.058 28.665 28.738 -0.024 0.000 0.963 222 Q HN 0.694 nan 8.270 nan 0.000 0.471 223 M N 1.716 121.297 119.600 -0.032 0.000 2.242 223 M HA 0.231 4.711 4.480 -0.000 0.000 0.344 223 M C -2.106 174.177 176.300 -0.028 0.000 1.140 223 M CA -1.951 53.327 55.300 -0.036 0.000 1.160 223 M CB 0.635 33.209 32.600 -0.044 0.000 1.491 223 M HN -0.114 nan 8.290 nan 0.000 0.459 224 P HA 0.018 nan 4.420 nan 0.000 0.267 224 P C -0.373 176.917 177.300 -0.018 0.000 1.200 224 P CA 0.273 63.361 63.100 -0.020 0.000 0.772 224 P CB 0.552 32.240 31.700 -0.019 0.000 0.855 225 K N 1.069 121.462 120.400 -0.012 0.000 2.305 225 K HA 0.027 4.347 4.320 -0.000 0.000 0.199 225 K C 0.623 177.223 176.600 0.001 0.000 1.047 225 K CA 0.897 57.180 56.287 -0.006 0.000 0.976 225 K CB 0.175 32.671 32.500 -0.006 0.000 0.765 225 K HN 0.274 nan 8.250 nan 0.000 0.474 226 K N 0.244 120.643 120.400 -0.002 0.000 2.498 226 K HA 0.325 4.645 4.320 -0.000 0.000 0.254 226 K C -1.730 174.872 176.600 0.004 0.000 0.933 226 K CA -0.733 55.557 56.287 0.006 0.000 0.806 226 K CB 2.127 34.627 32.500 0.000 0.000 1.301 226 K HN -0.242 nan 8.250 nan 0.000 0.432 227 V N 1.949 121.871 119.914 0.013 0.000 2.823 227 V HA 0.439 4.559 4.120 -0.000 0.000 0.312 227 V C -0.591 175.514 176.094 0.019 0.000 1.072 227 V CA -0.871 61.435 62.300 0.011 0.000 0.937 227 V CB 2.133 33.961 31.823 0.008 0.000 1.013 227 V HN 0.885 nan 8.190 nan 0.000 0.430 228 T N 2.417 116.980 114.554 0.015 0.000 2.806 228 T HA 0.344 4.694 4.350 -0.000 0.000 0.290 228 T C -0.396 174.317 174.700 0.021 0.000 0.966 228 T CA -0.281 61.830 62.100 0.017 0.000 1.060 228 T CB 0.410 69.285 68.868 0.012 0.000 0.927 228 T HN 0.853 nan 8.240 nan 0.000 0.485 229 D N 0.528 120.944 120.400 0.027 0.000 2.697 229 D HA -0.152 4.488 4.640 -0.000 0.000 0.238 229 D C 0.321 176.640 176.300 0.030 0.000 1.152 229 D CA 0.618 54.635 54.000 0.028 0.000 0.666 229 D CB -1.552 39.262 40.800 0.022 0.000 1.037 229 D HN 0.860 nan 8.370 nan 0.000 0.423 230 A N 0.693 123.537 122.820 0.039 0.000 2.484 230 A HA 0.247 4.567 4.320 -0.000 0.000 0.268 230 A C 0.616 178.227 177.584 0.047 0.000 1.114 230 A CA -0.054 52.008 52.037 0.041 0.000 0.780 230 A CB 0.389 19.421 19.000 0.054 0.000 1.061 230 A HN 0.130 nan 8.150 nan 0.000 0.505 231 K N 2.694 123.116 120.400 0.037 0.000 2.315 231 K HA 0.354 4.674 4.320 -0.000 0.000 0.291 231 K C -0.707 175.923 176.600 0.050 0.000 1.074 231 K CA 0.579 56.889 56.287 0.038 0.000 0.936 231 K CB 0.386 32.903 32.500 0.027 0.000 1.049 231 K HN 0.602 nan 8.250 nan 0.000 0.471 232 I N 2.622 123.234 120.570 0.070 0.000 2.304 232 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 232 I C 0.079 176.253 176.117 0.096 0.000 1.018 232 I CA -0.778 60.586 61.300 0.107 0.000 1.260 232 I CB 1.505 39.611 38.000 0.176 0.000 1.390 232 I HN 0.540 nan 8.210 nan 0.000 0.475 233 A N 7.776 130.647 122.820 0.085 0.000 2.316 233 A HA 0.552 4.872 4.320 -0.000 0.000 0.311 233 A C -0.470 177.176 177.584 0.102 0.000 1.339 233 A CA -0.425 51.655 52.037 0.072 0.000 0.960 233 A CB -0.033 18.994 19.000 0.045 0.000 1.152 233 A HN 0.616 nan 8.150 nan 0.000 0.547 234 L N 3.714 124.994 121.223 0.094 0.000 2.312 234 L HA 0.279 4.619 4.340 -0.000 0.000 0.287 234 L C -0.184 176.727 176.870 0.069 0.000 1.091 234 L CA 0.651 55.551 54.840 0.101 0.000 0.846 234 L CB 0.413 42.509 42.059 0.062 0.000 1.219 234 L HN 0.591 nan 8.230 nan 0.000 0.439 235 L N 3.273 124.542 121.223 0.076 0.000 2.282 235 L HA 0.344 4.684 4.340 -0.000 0.000 0.288 235 L C 1.063 177.962 176.870 0.049 0.000 1.033 235 L CA -0.369 54.502 54.840 0.052 0.000 0.807 235 L CB 1.378 43.464 42.059 0.045 0.000 1.209 235 L HN 0.511 nan 8.230 nan 0.000 0.423 236 N N 1.123 119.844 118.700 0.035 0.000 2.395 236 N HA -0.041 4.699 4.740 -0.000 0.000 0.175 236 N C 0.427 175.952 175.510 0.025 0.000 1.029 236 N CA 0.120 53.187 53.050 0.028 0.000 0.897 236 N CB 0.283 38.782 38.487 0.020 0.000 0.991 236 N HN 0.585 nan 8.380 nan 0.000 0.441 237 C N 1.105 120.419 119.300 0.024 0.000 2.657 237 C HA 0.710 5.170 4.460 -0.000 0.000 0.404 237 C C 0.576 175.580 174.990 0.024 0.000 1.291 237 C CA -0.812 58.219 59.018 0.021 0.000 2.218 237 C CB -0.644 27.108 27.740 0.019 0.000 2.687 237 C HN 0.485 nan 8.230 nan 0.000 0.634 238 A N 4.836 127.669 122.820 0.021 0.000 2.363 238 A HA 0.556 4.876 4.320 -0.000 0.000 0.270 238 A C 0.124 177.722 177.584 0.023 0.000 1.121 238 A CA -0.381 51.669 52.037 0.022 0.000 0.800 238 A CB 0.032 19.044 19.000 0.020 0.000 1.052 238 A HN 0.835 nan 8.150 nan 0.000 0.493 239 I N 2.459 123.044 120.570 0.026 0.000 3.184 239 I HA 0.117 4.286 4.170 -0.000 0.000 0.311 239 I C 0.538 176.675 176.117 0.033 0.000 1.243 239 I CA 0.274 61.591 61.300 0.030 0.000 1.393 239 I CB -0.692 37.328 38.000 0.032 0.000 1.471 239 I HN 0.688 nan 8.210 nan 0.000 0.540 264 T N -3.531 111.040 114.554 0.027 0.000 2.312 264 T HA 0.741 5.091 4.350 -0.000 0.000 0.175 264 T C 1.182 175.895 174.700 0.022 0.000 0.727 264 T CA 1.658 63.770 62.100 0.021 0.000 1.333 264 T CB 0.441 69.320 68.868 0.018 0.000 2.928 264 T HN 1.968 nan 8.240 nan 0.000 0.403 265 A N -0.040 122.795 122.820 0.024 0.000 2.519 265 A HA 0.656 4.976 4.320 -0.000 0.000 0.236 265 A C 0.498 178.100 177.584 0.031 0.000 0.875 265 A CA 0.094 52.144 52.037 0.023 0.000 1.172 265 A CB 0.201 19.207 19.000 0.011 0.000 1.211 265 A HN 0.529 nan 8.150 nan 0.000 0.454 266 S N 1.725 117.450 115.700 0.041 0.000 2.526 266 S HA 0.309 4.779 4.470 -0.000 0.000 0.220 266 S C 0.268 174.900 174.600 0.054 0.000 1.159 266 S CA 0.401 58.625 58.200 0.041 0.000 1.196 266 S CB -0.673 62.542 63.200 0.024 0.000 1.225 266 S HN 0.854 nan 8.310 nan 0.000 0.432 267 E N 0.733 120.993 120.200 0.101 0.000 2.103 267 E HA -0.248 4.102 4.350 -0.000 0.000 0.186 267 E C 0.139 176.761 176.600 0.037 0.000 1.392 267 E CA 0.762 57.239 56.400 0.128 0.000 0.691 267 E CB -1.664 28.098 29.700 0.102 0.000 1.068 267 E HN 0.693 nan 8.360 nan 0.000 0.328 268 M N 0.342 119.973 119.600 0.052 0.000 2.568 268 M HA 0.079 4.559 4.480 -0.000 0.000 0.226 268 M C 0.422 176.735 176.300 0.022 0.000 1.148 268 M CA 0.138 55.452 55.300 0.022 0.000 1.007 268 M CB 0.251 32.866 32.600 0.025 0.000 1.651 268 M HN 0.239 nan 8.290 nan 0.000 0.488 269 L N -1.070 120.178 121.223 0.041 0.000 2.731 269 L HA 0.151 4.491 4.340 -0.000 0.000 0.240 269 L C 1.771 178.628 176.870 -0.021 0.000 1.120 269 L CA 0.631 55.504 54.840 0.055 0.000 0.913 269 L CB -0.344 41.807 42.059 0.153 0.000 1.213 269 L HN 0.071 nan 8.230 nan 0.000 0.515 270 K N 0.258 120.557 120.400 -0.167 0.000 2.209 270 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 270 K C 1.034 177.549 176.600 -0.141 0.000 1.048 270 K CA 1.333 57.443 56.287 -0.296 0.000 0.940 270 K CB 0.007 32.255 32.500 -0.419 0.000 0.729 270 K HN 0.284 nan 8.250 nan 0.000 0.451 271 D N 0.631 120.981 120.400 -0.084 0.000 2.137 271 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 271 D C 1.839 178.123 176.300 -0.027 0.000 0.970 271 D CA 1.110 55.081 54.000 -0.048 0.000 0.837 271 D CB -0.052 40.729 40.800 -0.033 0.000 0.981 271 D HN 0.124 nan 8.370 nan 0.000 0.475 272 M N 0.161 119.753 119.600 -0.013 0.000 2.159 272 M HA -0.109 4.370 4.480 -0.000 0.000 0.263 272 M C 2.119 178.424 176.300 0.008 0.000 1.063 272 M CA 0.808 56.111 55.300 0.005 0.000 1.110 272 M CB 0.050 32.662 32.600 0.020 0.000 1.374 272 M HN -0.096 nan 8.290 nan 0.000 0.411 273 V N 0.088 120.007 119.914 0.008 0.000 2.379 273 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 273 V C 2.554 178.646 176.094 -0.003 0.000 1.044 273 V CA 1.876 64.186 62.300 0.017 0.000 1.036 273 V CB -1.062 30.788 31.823 0.046 0.000 0.664 273 V HN 0.493 nan 8.190 nan 0.000 0.453 274 A N -0.471 122.335 122.820 -0.023 0.000 2.015 274 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 274 A C 2.134 179.710 177.584 -0.013 0.000 1.163 274 A CA 1.554 53.577 52.037 -0.024 0.000 0.646 274 A CB -0.386 18.591 19.000 -0.038 0.000 0.806 274 A HN 0.606 nan 8.150 nan 0.000 0.448 275 E N -0.361 119.833 120.200 -0.010 0.000 2.150 275 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 275 E C 1.675 178.275 176.600 0.002 0.000 0.985 275 E CA 1.038 57.436 56.400 -0.004 0.000 0.814 275 E CB -0.193 29.506 29.700 -0.001 0.000 0.752 275 E HN 0.729 nan 8.360 nan 0.000 0.466 276 I N 0.836 121.409 120.570 0.004 0.000 2.353 276 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 276 I C 2.438 178.557 176.117 0.004 0.000 1.119 276 I CA 0.838 62.142 61.300 0.007 0.000 1.417 276 I CB -0.077 37.928 38.000 0.009 0.000 1.078 276 I HN -0.048 nan 8.210 nan 0.000 0.421 277 K N 1.394 121.794 120.400 0.000 0.000 2.217 277 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 277 K C 2.157 178.757 176.600 -0.002 0.000 1.051 277 K CA 1.062 57.348 56.287 -0.002 0.000 0.952 277 K CB 0.028 32.524 32.500 -0.006 0.000 0.736 277 K HN 0.295 nan 8.250 nan 0.000 0.453 278 A N 0.894 123.713 122.820 -0.002 0.000 1.969 278 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 278 A C 2.048 179.633 177.584 0.002 0.000 1.169 278 A CA 2.018 54.054 52.037 -0.001 0.000 0.635 278 A CB -0.488 18.511 19.000 -0.003 0.000 0.810 278 A HN 0.498 nan 8.150 nan 0.000 0.445 279 S N -1.694 114.008 115.700 0.004 0.000 2.414 279 S HA 0.333 4.803 4.470 -0.000 0.000 0.227 279 S C 1.382 175.986 174.600 0.008 0.000 1.022 279 S CA 1.085 59.290 58.200 0.007 0.000 0.958 279 S CB -0.521 62.685 63.200 0.011 0.000 0.797 279 S HN 1.995 nan 8.310 nan 0.000 0.493 280 G N 0.792 109.596 108.800 0.007 0.000 2.356 280 G HA2 0.159 4.119 3.960 -0.000 0.000 0.233 280 G HA3 0.159 4.119 3.960 -0.000 0.000 0.233 280 G C -0.124 174.782 174.900 0.009 0.000 1.105 280 G CA -0.285 44.819 45.100 0.007 0.000 0.861 280 G HN 1.258 nan 8.290 nan 0.000 0.493 281 A N 0.358 123.183 122.820 0.010 0.000 2.273 281 A HA 0.684 5.004 4.320 -0.000 0.000 0.320 281 A C 1.046 178.632 177.584 0.004 0.000 1.358 281 A CA 0.122 52.167 52.037 0.013 0.000 0.910 281 A CB 0.386 19.398 19.000 0.019 0.000 1.159 281 A HN 0.821 nan 8.150 nan 0.000 0.526 282 N N 1.823 120.526 118.700 0.003 0.000 2.463 282 N HA 0.021 4.761 4.740 -0.000 0.000 0.181 282 N C -0.169 175.328 175.510 -0.021 0.000 1.078 282 N CA 0.490 53.536 53.050 -0.007 0.000 0.902 282 N CB 0.100 38.586 38.487 -0.003 0.000 0.970 282 N HN 0.257 nan 8.380 nan 0.000 0.451 283 V N 0.990 120.894 119.914 -0.016 0.000 2.588 283 V HA 0.461 4.580 4.120 -0.000 0.000 0.304 283 V C -1.234 174.830 176.094 -0.051 0.000 1.042 283 V CA -0.990 61.278 62.300 -0.054 0.000 0.877 283 V CB 2.071 33.879 31.823 -0.026 0.000 0.996 283 V HN 0.139 nan 8.190 nan 0.000 0.425 284 L N 5.337 126.476 121.223 -0.140 0.000 2.406 284 L HA 0.628 4.968 4.340 -0.000 0.000 0.270 284 L C -1.353 175.405 176.870 -0.188 0.000 0.982 284 L CA 0.104 54.892 54.840 -0.087 0.000 0.843 284 L CB 1.258 43.284 42.059 -0.055 0.000 1.225 284 L HN 0.491 nan 8.230 nan 0.000 0.412 285 F N 4.904 124.859 119.950 0.008 0.000 2.361 285 F HA 0.397 4.924 4.527 -0.000 0.000 0.364 285 F C 0.276 176.079 175.800 0.005 0.000 1.120 285 F CA -0.177 57.827 58.000 0.005 0.000 1.102 285 F CB 1.086 40.088 39.000 0.002 0.000 1.183 285 F HN 0.477 nan 8.300 nan 0.000 0.476 286 C N 5.209 124.600 119.300 0.151 0.000 2.295 286 C HA 0.230 4.690 4.460 -0.000 0.000 0.331 286 C C 1.492 176.543 174.990 0.101 0.000 1.280 286 C CA -0.379 58.697 59.018 0.098 0.000 1.746 286 C CB 0.685 28.454 27.740 0.049 0.000 2.328 286 C HN 1.033 nan 8.230 nan 0.000 0.521 287 Q N 2.747 122.593 119.800 0.076 0.000 2.137 287 Q HA 0.020 4.360 4.340 -0.000 0.000 0.198 287 Q C 1.046 177.071 176.000 0.042 0.000 0.960 287 Q CA 1.135 56.972 55.803 0.056 0.000 0.847 287 Q CB 0.224 28.985 28.738 0.038 0.000 0.915 287 Q HN 0.660 nan 8.270 nan 0.000 0.448 288 K N -0.356 120.066 120.400 0.037 0.000 2.760 288 K HA 0.327 4.647 4.320 -0.000 0.000 0.285 288 K C -0.012 176.604 176.600 0.028 0.000 1.016 288 K CA -0.017 56.287 56.287 0.028 0.000 1.087 288 K CB -0.124 32.390 32.500 0.024 0.000 1.427 288 K HN 0.136 nan 8.250 nan 0.000 0.524 289 G N 0.662 109.475 108.800 0.022 0.000 2.356 289 G HA2 0.498 4.458 3.960 -0.000 0.000 0.298 289 G HA3 0.498 4.458 3.960 -0.000 0.000 0.298 289 G C -0.268 174.644 174.900 0.020 0.000 1.145 289 G CA -0.555 44.556 45.100 0.020 0.000 0.850 289 G HN 0.313 nan 8.290 nan 0.000 0.487 290 I N 1.827 122.408 120.570 0.017 0.000 2.336 290 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 290 I C 0.149 176.276 176.117 0.017 0.000 0.991 290 I CA -0.762 60.548 61.300 0.017 0.000 1.227 290 I CB 1.584 39.591 38.000 0.011 0.000 1.366 290 I HN 0.349 nan 8.210 nan 0.000 0.466 291 D N 4.094 124.508 120.400 0.023 0.000 2.362 291 D HA -0.059 4.581 4.640 -0.000 0.000 0.242 291 D C 0.589 176.899 176.300 0.016 0.000 1.132 291 D CA 0.060 54.073 54.000 0.022 0.000 0.907 291 D CB 1.503 42.321 40.800 0.031 0.000 1.195 291 D HN 0.587 nan 8.370 nan 0.000 0.429 292 D N 1.723 122.126 120.400 0.005 0.000 2.178 292 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 292 D C 2.058 178.339 176.300 -0.031 0.000 0.980 292 D CA 0.909 54.902 54.000 -0.012 0.000 0.842 292 D CB 0.114 40.903 40.800 -0.019 0.000 0.948 292 D HN 0.385 nan 8.370 nan 0.000 0.472 293 L N -0.129 121.085 121.223 -0.015 0.000 2.056 293 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 293 L C 2.517 179.372 176.870 -0.025 0.000 1.078 293 L CA 1.149 55.963 54.840 -0.043 0.000 0.749 293 L CB -0.404 41.698 42.059 0.071 0.000 0.901 293 L HN 0.006 nan 8.230 nan 0.000 0.433 294 A N -0.704 122.173 122.820 0.095 0.000 2.015 294 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 294 A C 2.200 179.825 177.584 0.068 0.000 1.163 294 A CA 1.189 53.319 52.037 0.155 0.000 0.646 294 A CB -0.351 18.717 19.000 0.114 0.000 0.806 294 A HN 0.482 nan 8.150 nan 0.000 0.448 295 Q N -1.322 118.484 119.800 0.010 0.000 2.124 295 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 295 Q C 2.118 178.100 176.000 -0.031 0.000 0.977 295 Q CA 1.475 57.272 55.803 -0.010 0.000 0.850 295 Q CB -0.332 28.398 28.738 -0.013 0.000 0.901 295 Q HN 0.934 nan 8.270 nan 0.000 0.429 296 H N -0.372 118.583 119.070 -0.192 0.000 2.363 296 H HA -0.123 4.433 4.556 -0.000 0.000 0.301 296 H C 1.364 176.581 175.328 -0.186 0.000 1.074 296 H CA 1.340 57.237 56.048 -0.251 0.000 1.354 296 H CB 0.124 29.636 29.762 -0.418 0.000 1.397 296 H HN 0.260 nan 8.280 nan 0.000 0.516 297 Y N 0.823 121.089 120.300 -0.057 0.000 2.263 297 Y HA -0.080 4.470 4.550 -0.000 0.000 0.292 297 Y C 2.929 178.762 175.900 -0.112 0.000 1.130 297 Y CA 0.583 58.621 58.100 -0.104 0.000 1.179 297 Y CB -0.579 37.893 38.460 0.019 0.000 0.998 297 Y HN 0.112 nan 8.280 nan 0.000 0.532 298 L N -0.884 120.377 121.223 0.064 0.000 2.141 298 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 298 L C 2.532 179.378 176.870 -0.039 0.000 1.094 298 L CA 1.053 55.899 54.840 0.011 0.000 0.763 298 L CB -0.608 41.455 42.059 0.007 0.000 0.908 298 L HN 0.203 nan 8.230 nan 0.000 0.437 299 A N 0.391 123.162 122.820 -0.081 0.000 2.014 299 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 299 A C 2.338 179.849 177.584 -0.122 0.000 1.163 299 A CA 1.527 53.505 52.037 -0.098 0.000 0.652 299 A CB -0.311 18.626 19.000 -0.104 0.000 0.808 299 A HN 0.439 nan 8.150 nan 0.000 0.449 300 K N -0.155 120.137 120.400 -0.179 0.000 2.155 300 K HA -0.097 4.223 4.320 -0.000 0.000 0.203 300 K C 1.368 177.930 176.600 -0.064 0.000 1.052 300 K CA 1.449 57.644 56.287 -0.152 0.000 0.948 300 K CB -0.126 32.252 32.500 -0.203 0.000 0.728 300 K HN 0.346 nan 8.250 nan 0.000 0.448 301 E N 0.011 120.186 120.200 -0.041 0.000 2.152 301 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 301 E C 1.202 177.787 176.600 -0.024 0.000 0.983 301 E CA 1.257 57.644 56.400 -0.021 0.000 0.818 301 E CB 0.187 29.881 29.700 -0.009 0.000 0.758 301 E HN 0.669 nan 8.360 nan 0.000 0.467 302 G N 1.209 109.990 108.800 -0.033 0.000 2.154 302 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.186 302 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.186 302 G C 0.174 175.056 174.900 -0.029 0.000 1.000 302 G CA -0.097 44.985 45.100 -0.030 0.000 0.664 302 G HN 0.149 nan 8.290 nan 0.000 0.513 303 I N 1.677 122.229 120.570 -0.031 0.000 2.371 303 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 303 I C 0.751 176.838 176.117 -0.050 0.000 1.028 303 I CA -0.945 60.334 61.300 -0.034 0.000 1.345 303 I CB 1.574 39.559 38.000 -0.024 0.000 1.407 303 I HN -0.112 nan 8.210 nan 0.000 0.501 304 V N 6.133 126.008 119.914 -0.066 0.000 2.498 304 V HA 0.652 4.772 4.120 -0.000 0.000 0.279 304 V C 0.471 176.480 176.094 -0.141 0.000 1.048 304 V CA -0.319 61.924 62.300 -0.094 0.000 0.967 304 V CB 1.012 32.777 31.823 -0.097 0.000 0.988 304 V HN 0.872 nan 8.190 nan 0.000 0.473 305 A N 3.916 126.653 122.820 -0.140 0.000 2.454 305 A HA 0.999 5.319 4.320 -0.000 0.000 0.302 305 A C -0.453 177.025 177.584 -0.177 0.000 1.079 305 A CA -0.389 51.550 52.037 -0.163 0.000 0.731 305 A CB 1.974 20.922 19.000 -0.086 0.000 1.299 305 A HN 1.418 nan 8.150 nan 0.000 0.413 306 A N 1.290 123.990 122.820 -0.199 0.000 2.398 306 A HA 0.731 5.051 4.320 -0.000 0.000 0.301 306 A C -0.314 177.256 177.584 -0.023 0.000 1.041 306 A CA -0.750 51.215 52.037 -0.121 0.000 0.711 306 A CB 0.914 19.807 19.000 -0.177 0.000 1.240 306 A HN 1.139 nan 8.150 nan 0.000 0.420 307 R N 1.943 122.445 120.500 0.004 0.000 2.346 307 R HA 0.748 5.088 4.340 -0.000 0.000 0.311 307 R C -0.476 175.848 176.300 0.040 0.000 0.983 307 R CA -0.712 55.402 56.100 0.023 0.000 0.880 307 R CB 0.770 31.077 30.300 0.012 0.000 1.100 307 R HN 0.692 nan 8.270 nan 0.000 0.453 308 R N 0.845 121.373 120.500 0.046 0.000 3.201 308 R HA -0.115 4.225 4.340 -0.000 0.000 0.254 308 R C -0.780 175.552 176.300 0.054 0.000 0.978 308 R CA 0.487 56.612 56.100 0.043 0.000 0.661 308 R CB -1.681 28.636 30.300 0.029 0.000 1.170 308 R HN 0.499 nan 8.270 nan 0.000 0.430 309 V N 2.075 122.037 119.914 0.080 0.000 2.583 309 V HA 0.111 4.231 4.120 -0.000 0.000 0.287 309 V C 1.234 177.349 176.094 0.035 0.000 1.051 309 V CA -0.410 61.939 62.300 0.082 0.000 1.010 309 V CB 1.399 33.312 31.823 0.150 0.000 0.988 309 V HN 0.131 nan 8.190 nan 0.000 0.478 310 K N 3.182 123.590 120.400 0.013 0.000 2.527 310 K HA -0.018 4.302 4.320 -0.000 0.000 0.278 310 K C 1.210 177.800 176.600 -0.016 0.000 0.981 310 K CA 0.243 56.527 56.287 -0.005 0.000 1.009 310 K CB 0.453 32.944 32.500 -0.015 0.000 0.895 310 K HN 0.586 nan 8.250 nan 0.000 0.493 311 K N 1.539 121.931 120.400 -0.013 0.000 2.147 311 K HA -0.163 4.157 4.320 -0.000 0.000 0.205 311 K C 1.797 178.379 176.600 -0.031 0.000 1.049 311 K CA 1.714 57.991 56.287 -0.017 0.000 0.936 311 K CB 0.106 32.600 32.500 -0.011 0.000 0.722 311 K HN 0.648 nan 8.250 nan 0.000 0.446 312 S N 0.657 116.337 115.700 -0.034 0.000 2.383 312 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 312 S C 1.342 175.904 174.600 -0.063 0.000 1.026 312 S CA 1.319 59.493 58.200 -0.043 0.000 0.981 312 S CB -0.197 62.980 63.200 -0.039 0.000 0.818 312 S HN 0.276 nan 8.310 nan 0.000 0.472 313 D N 1.074 121.429 120.400 -0.074 0.000 2.234 313 D HA 0.097 4.737 4.640 -0.000 0.000 0.205 313 D C 1.914 178.121 176.300 -0.155 0.000 0.962 313 D CA 0.703 54.633 54.000 -0.116 0.000 0.855 313 D CB -0.235 40.495 40.800 -0.117 0.000 0.951 313 D HN 0.317 nan 8.370 nan 0.000 0.500 314 M N 0.520 120.052 119.600 -0.113 0.000 2.175 314 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 314 M C 1.785 178.030 176.300 -0.092 0.000 1.063 314 M CA 1.118 56.353 55.300 -0.109 0.000 1.119 314 M CB -0.606 31.965 32.600 -0.048 0.000 1.377 314 M HN 0.068 nan 8.290 nan 0.000 0.415 315 E N -0.233 119.924 120.200 -0.071 0.000 2.208 315 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 315 E C 2.017 178.575 176.600 -0.069 0.000 0.988 315 E CA 0.601 56.966 56.400 -0.057 0.000 0.828 315 E CB 0.131 29.806 29.700 -0.043 0.000 0.763 315 E HN 0.426 nan 8.360 nan 0.000 0.478 316 K N 0.556 120.901 120.400 -0.091 0.000 2.062 316 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 316 K C 2.201 178.731 176.600 -0.117 0.000 1.051 316 K CA 0.665 56.893 56.287 -0.099 0.000 0.941 316 K CB -0.118 32.315 32.500 -0.111 0.000 0.719 316 K HN 0.164 nan 8.250 nan 0.000 0.440 317 L N 0.771 121.895 121.223 -0.165 0.000 2.141 317 L HA -0.132 4.207 4.340 -0.000 0.000 0.209 317 L C 2.505 179.311 176.870 -0.106 0.000 1.094 317 L CA 0.931 55.657 54.840 -0.190 0.000 0.763 317 L CB -0.454 41.397 42.059 -0.347 0.000 0.908 317 L HN 0.135 nan 8.230 nan 0.000 0.437 318 A N -0.218 122.554 122.820 -0.080 0.000 1.968 318 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 318 A C 2.285 179.849 177.584 -0.033 0.000 1.169 318 A CA 1.307 53.318 52.037 -0.043 0.000 0.638 318 A CB -0.141 18.839 19.000 -0.033 0.000 0.812 318 A HN 0.319 nan 8.150 nan 0.000 0.446 319 K N -0.763 119.612 120.400 -0.041 0.000 2.284 319 K HA 0.253 4.573 4.320 -0.000 0.000 0.198 319 K C 2.182 178.763 176.600 -0.031 0.000 1.048 319 K CA 0.667 56.936 56.287 -0.031 0.000 0.987 319 K CB -0.009 32.471 32.500 -0.032 0.000 0.800 319 K HN 0.378 nan 8.250 nan 0.000 0.486 320 A N 1.455 124.250 122.820 -0.042 0.000 1.855 320 A HA -0.112 4.208 4.320 -0.000 0.000 0.213 320 A C 2.259 179.829 177.584 -0.023 0.000 1.195 320 A CA 1.965 53.980 52.037 -0.038 0.000 0.610 320 A CB -0.851 18.117 19.000 -0.053 0.000 0.837 320 A HN 0.366 nan 8.150 nan 0.000 0.444 321 T N -4.025 110.517 114.554 -0.021 0.000 3.043 321 T HA 0.381 4.731 4.350 -0.000 0.000 0.263 321 T C 1.224 175.927 174.700 0.006 0.000 1.094 321 T CA 1.101 63.200 62.100 -0.000 0.000 1.127 321 T CB -0.139 68.735 68.868 0.009 0.000 0.905 321 T HN 1.831 nan 8.240 nan 0.000 0.490 322 G N 1.063 109.862 108.800 -0.001 0.000 2.414 322 G HA2 0.233 4.193 3.960 -0.000 0.000 0.256 322 G HA3 0.233 4.193 3.960 -0.000 0.000 0.256 322 G C -0.045 174.860 174.900 0.008 0.000 1.128 322 G CA -0.276 44.827 45.100 0.005 0.000 0.944 322 G HN 1.082 nan 8.290 nan 0.000 0.500 323 A N 0.043 122.865 122.820 0.004 0.000 2.322 323 A HA 0.892 5.212 4.320 -0.000 0.000 0.327 323 A C -0.092 177.496 177.584 0.006 0.000 1.134 323 A CA -0.855 51.189 52.037 0.010 0.000 0.831 323 A CB 1.106 20.116 19.000 0.016 0.000 1.288 323 A HN 0.366 nan 8.150 nan 0.000 0.472 324 N N 0.190 118.897 118.700 0.012 0.000 2.342 324 N HA 0.410 5.150 4.740 -0.000 0.000 0.293 324 N C -1.038 174.480 175.510 0.014 0.000 1.026 324 N CA -0.382 52.674 53.050 0.010 0.000 0.857 324 N CB 1.864 40.357 38.487 0.010 0.000 1.256 324 N HN 0.284 nan 8.380 nan 0.000 0.484 325 V N 3.577 123.497 119.914 0.009 0.000 2.405 325 V HA 0.205 4.325 4.120 -0.000 0.000 0.264 325 V C 0.380 176.483 176.094 0.014 0.000 1.048 325 V CA -0.276 62.031 62.300 0.013 0.000 0.966 325 V CB -0.243 31.583 31.823 0.005 0.000 1.015 325 V HN 0.427 nan 8.190 nan 0.000 0.477 326 I N 4.756 125.338 120.570 0.020 0.000 2.336 326 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 326 I C 0.971 177.099 176.117 0.018 0.000 0.991 326 I CA -0.095 61.216 61.300 0.018 0.000 1.227 326 I CB 1.403 39.414 38.000 0.019 0.000 1.366 326 I HN 0.527 nan 8.210 nan 0.000 0.466 327 T N 3.431 117.993 114.554 0.015 0.000 3.223 327 T HA 0.153 4.503 4.350 -0.000 0.000 0.259 327 T C 0.372 175.080 174.700 0.013 0.000 1.015 327 T CA -0.164 61.944 62.100 0.014 0.000 0.908 327 T CB -0.640 68.234 68.868 0.011 0.000 1.054 327 T HN 0.530 nan 8.240 nan 0.000 0.567 328 N N 0.400 119.108 118.700 0.014 0.000 2.503 328 N HA 0.346 5.086 4.740 -0.000 0.000 0.287 328 N C 0.075 175.593 175.510 0.013 0.000 1.096 328 N CA -0.582 52.475 53.050 0.012 0.000 0.936 328 N CB 1.242 39.735 38.487 0.010 0.000 1.570 328 N HN 0.027 nan 8.380 nan 0.000 0.504 329 I N 2.221 122.799 120.570 0.013 0.000 2.676 329 I HA 0.006 4.176 4.170 -0.000 0.000 0.259 329 I C 1.364 177.486 176.117 0.009 0.000 1.194 329 I CA 0.750 62.057 61.300 0.013 0.000 1.473 329 I CB 0.274 38.282 38.000 0.014 0.000 1.096 329 I HN 0.431 nan 8.210 nan 0.000 0.443 330 K N -0.085 120.320 120.400 0.007 0.000 2.366 330 K HA -0.068 4.252 4.320 -0.000 0.000 0.198 330 K C 0.683 177.286 176.600 0.005 0.000 1.044 330 K CA 0.746 57.036 56.287 0.005 0.000 0.973 330 K CB -0.079 32.423 32.500 0.004 0.000 0.767 330 K HN 0.278 nan 8.250 nan 0.000 0.475 331 D N 0.356 120.760 120.400 0.007 0.000 2.535 331 D HA 0.030 4.670 4.640 -0.000 0.000 0.229 331 D C -0.591 175.714 176.300 0.008 0.000 1.238 331 D CA -0.315 53.689 54.000 0.007 0.000 0.824 331 D CB 0.292 41.095 40.800 0.006 0.000 1.045 331 D HN -0.052 nan 8.370 nan 0.000 0.500 332 L N 1.411 122.640 121.223 0.010 0.000 2.562 332 L HA 0.146 4.486 4.340 -0.000 0.000 0.271 332 L C 0.122 176.999 176.870 0.011 0.000 1.167 332 L CA 0.425 55.272 54.840 0.012 0.000 0.917 332 L CB 0.776 42.843 42.059 0.014 0.000 1.187 332 L HN -0.211 nan 8.230 nan 0.000 0.482 333 S N 3.183 118.890 115.700 0.012 0.000 2.651 333 S HA 0.706 5.176 4.470 -0.000 0.000 0.291 333 S C 1.087 175.694 174.600 0.012 0.000 1.141 333 S CA -0.189 58.017 58.200 0.010 0.000 1.027 333 S CB 1.659 64.865 63.200 0.009 0.000 1.043 333 S HN 0.847 nan 8.310 nan 0.000 0.530 334 A N 2.222 125.049 122.820 0.011 0.000 2.066 334 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 334 A C 1.656 179.248 177.584 0.013 0.000 1.157 334 A CA 1.008 53.052 52.037 0.012 0.000 0.670 334 A CB -0.456 18.550 19.000 0.010 0.000 0.804 334 A HN 0.761 nan 8.150 nan 0.000 0.453 335 Q N 0.082 119.889 119.800 0.012 0.000 2.403 335 Q HA 0.061 4.401 4.340 -0.000 0.000 0.203 335 Q C 0.063 176.072 176.000 0.013 0.000 0.932 335 Q CA 0.535 56.346 55.803 0.012 0.000 0.945 335 Q CB 0.340 29.084 28.738 0.010 0.000 1.045 335 Q HN 0.510 nan 8.270 nan 0.000 0.511 336 D N -0.690 119.719 120.400 0.015 0.000 2.363 336 D HA 0.109 4.749 4.640 -0.000 0.000 0.214 336 D C -0.302 176.011 176.300 0.022 0.000 1.093 336 D CA 0.142 54.152 54.000 0.017 0.000 0.837 336 D CB 0.492 41.301 40.800 0.016 0.000 0.948 336 D HN 0.224 nan 8.370 nan 0.000 0.507 337 L N 0.413 121.651 121.223 0.024 0.000 2.307 337 L HA 0.544 4.884 4.340 -0.000 0.000 0.282 337 L C 1.215 178.104 176.870 0.031 0.000 1.051 337 L CA -0.936 53.922 54.840 0.031 0.000 0.804 337 L CB 1.576 43.654 42.059 0.031 0.000 1.197 337 L HN -0.164 nan 8.230 nan 0.000 0.431 338 G N 0.410 109.232 108.800 0.037 0.000 2.547 338 G HA2 0.357 4.317 3.960 -0.000 0.000 0.291 338 G HA3 0.357 4.317 3.960 -0.000 0.000 0.291 338 G C -1.463 173.460 174.900 0.038 0.000 1.211 338 G CA -0.148 44.971 45.100 0.033 0.000 0.950 338 G HN 0.641 nan 8.290 nan 0.000 0.504 339 D N -0.914 119.506 120.400 0.034 0.000 2.549 339 D HA 0.588 5.228 4.640 -0.000 0.000 0.251 339 D C 0.062 176.384 176.300 0.038 0.000 1.153 339 D CA -0.178 53.844 54.000 0.036 0.000 0.861 339 D CB 1.554 42.373 40.800 0.032 0.000 1.207 339 D HN 0.544 nan 8.370 nan 0.000 0.543 340 A N 1.937 124.785 122.820 0.046 0.000 2.282 340 A HA 0.731 5.051 4.320 -0.000 0.000 0.324 340 A C 0.984 178.596 177.584 0.046 0.000 1.119 340 A CA -0.162 51.905 52.037 0.049 0.000 0.880 340 A CB 1.424 20.464 19.000 0.068 0.000 1.294 340 A HN 0.627 nan 8.150 nan 0.000 0.493 341 G N -1.451 107.378 108.800 0.048 0.000 2.833 341 G HA2 0.457 4.417 3.960 -0.000 0.000 0.214 341 G HA3 0.457 4.417 3.960 -0.000 0.000 0.214 341 G C -0.251 174.678 174.900 0.048 0.000 1.075 341 G CA 0.299 45.425 45.100 0.043 0.000 0.799 341 G HN 0.649 nan 8.290 nan 0.000 0.541 342 L N 1.309 122.571 121.223 0.064 0.000 2.661 342 L HA 0.471 4.811 4.340 -0.000 0.000 0.263 342 L C -1.641 175.292 176.870 0.105 0.000 0.956 342 L CA -0.547 54.336 54.840 0.071 0.000 0.918 342 L CB 2.294 44.392 42.059 0.066 0.000 1.280 342 L HN -0.156 nan 8.230 nan 0.000 0.416 343 V N 3.877 123.848 119.914 0.096 0.000 2.350 343 V HA 0.568 4.688 4.120 -0.000 0.000 0.285 343 V C -0.401 175.755 176.094 0.102 0.000 1.014 343 V CA -0.395 61.980 62.300 0.124 0.000 0.831 343 V CB 1.554 33.445 31.823 0.112 0.000 1.000 343 V HN 0.721 nan 8.190 nan 0.000 0.433 344 E N 3.129 123.415 120.200 0.142 0.000 2.304 344 E HA 0.290 4.640 4.350 -0.000 0.000 0.277 344 E C -0.896 175.782 176.600 0.129 0.000 0.898 344 E CA -0.579 55.869 56.400 0.080 0.000 0.764 344 E CB 2.022 31.718 29.700 -0.007 0.000 1.216 344 E HN 0.726 nan 8.360 nan 0.000 0.419 345 E N 4.849 125.098 120.200 0.082 0.000 1.856 345 E HA 0.122 4.472 4.350 -0.000 0.000 0.263 345 E C -0.614 176.014 176.600 0.047 0.000 1.137 345 E CA -0.185 56.277 56.400 0.103 0.000 1.007 345 E CB 0.278 30.016 29.700 0.064 0.000 1.117 345 E HN 0.277 nan 8.360 nan 0.000 0.438 346 R N 2.292 122.803 120.500 0.020 0.000 2.441 346 R HA 0.188 4.528 4.340 -0.000 0.000 0.284 346 R C 0.223 176.540 176.300 0.027 0.000 1.070 346 R CA -0.228 55.807 56.100 -0.108 0.000 1.047 346 R CB 0.895 30.899 30.300 -0.494 0.000 1.016 346 R HN 0.202 nan 8.270 nan 0.000 0.477 347 K N 2.541 122.941 120.400 -0.001 0.000 3.001 347 K HA 0.121 4.441 4.320 -0.000 0.000 0.257 347 K C -0.208 176.414 176.600 0.036 0.000 1.290 347 K CA -0.224 56.083 56.287 0.033 0.000 1.252 347 K CB -0.079 32.429 32.500 0.014 0.000 1.656 347 K HN 0.310 nan 8.250 nan 0.000 0.351 348 I N 1.003 121.620 120.570 0.080 0.000 2.496 348 I HA -0.117 4.053 4.170 -0.000 0.000 0.285 348 I C 0.959 177.130 176.117 0.090 0.000 1.080 348 I CA 0.978 62.332 61.300 0.091 0.000 1.404 348 I CB 0.981 39.098 38.000 0.195 0.000 1.403 348 I HN 0.484 nan 8.210 nan 0.000 0.539 349 S N 4.582 120.317 115.700 0.059 0.000 3.473 349 S HA -0.214 4.256 4.470 -0.000 0.000 0.339 349 S C 1.139 175.762 174.600 0.038 0.000 1.148 349 S CA 1.647 59.875 58.200 0.045 0.000 0.969 349 S CB -1.597 61.633 63.200 0.050 0.000 0.936 349 S HN 1.967 nan 8.310 nan 0.000 0.530 350 G N 0.084 108.905 108.800 0.035 0.000 2.579 350 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.222 350 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.222 350 G C -0.340 174.582 174.900 0.036 0.000 1.201 350 G CA 0.244 45.361 45.100 0.029 0.000 0.710 350 G HN 0.720 nan 8.290 nan 0.000 0.516 351 D N 2.147 122.575 120.400 0.046 0.000 2.383 351 D HA 0.457 5.097 4.640 -0.000 0.000 0.252 351 D C 0.806 177.151 176.300 0.075 0.000 1.166 351 D CA 0.848 54.879 54.000 0.051 0.000 0.879 351 D CB 1.330 42.158 40.800 0.046 0.000 1.164 351 D HN 0.613 nan 8.370 nan 0.000 0.462 352 S N 2.482 118.222 115.700 0.066 0.000 2.411 352 S HA 0.471 4.941 4.470 -0.000 0.000 0.304 352 S C 0.141 174.803 174.600 0.104 0.000 1.098 352 S CA -0.757 57.493 58.200 0.084 0.000 1.068 352 S CB 0.370 63.603 63.200 0.055 0.000 1.032 352 S HN 0.327 nan 8.310 nan 0.000 0.511 353 M N 2.761 122.461 119.600 0.167 0.000 2.662 353 M HA 0.505 4.985 4.480 -0.000 0.000 0.310 353 M C -0.662 175.781 176.300 0.238 0.000 1.204 353 M CA -0.803 54.588 55.300 0.150 0.000 0.891 353 M CB 2.001 34.645 32.600 0.073 0.000 1.732 353 M HN 0.501 nan 8.290 nan 0.000 0.467 354 I N 2.257 122.929 120.570 0.170 0.000 2.347 354 I HA 0.114 4.284 4.170 -0.000 0.000 0.294 354 I C -0.931 175.297 176.117 0.186 0.000 1.090 354 I CA -0.029 61.407 61.300 0.225 0.000 1.314 354 I CB -0.204 37.950 38.000 0.256 0.000 1.423 354 I HN 0.396 nan 8.210 nan 0.000 0.503 355 F N 6.621 126.612 119.950 0.068 0.000 2.464 355 F HA 0.170 4.697 4.527 -0.000 0.000 0.353 355 F C 0.602 176.446 175.800 0.073 0.000 1.191 355 F CA -0.544 57.489 58.000 0.055 0.000 1.147 355 F CB -0.159 38.861 39.000 0.034 0.000 1.294 355 F HN 0.136 nan 8.300 nan 0.000 0.583 356 V N 3.090 123.110 119.914 0.177 0.000 2.872 356 V HA 0.302 4.421 4.120 -0.000 0.000 0.307 356 V C 0.029 176.187 176.094 0.107 0.000 1.072 356 V CA -0.377 61.998 62.300 0.126 0.000 1.148 356 V CB 0.304 32.163 31.823 0.060 0.000 0.954 356 V HN 0.859 nan 8.190 nan 0.000 0.490 357 E N 1.234 121.492 120.200 0.098 0.000 2.373 357 E HA 0.448 4.798 4.350 -0.000 0.000 0.272 357 E C -1.089 175.550 176.600 0.064 0.000 1.231 357 E CA -1.075 55.374 56.400 0.082 0.000 0.906 357 E CB 0.847 30.633 29.700 0.143 0.000 1.397 357 E HN 0.607 nan 8.360 nan 0.000 0.410 358 E N -0.813 119.417 120.200 0.050 0.000 7.553 358 E HA -0.110 4.240 4.350 -0.000 0.000 0.426 358 E C -1.883 174.736 176.600 0.033 0.000 0.455 358 E CA 0.800 57.225 56.400 0.042 0.000 0.852 358 E CB -0.396 29.334 29.700 0.049 0.000 0.955 358 E HN 0.699 nan 8.360 nan 0.000 0.262 359 C N 4.175 123.490 119.300 0.026 0.000 3.006 359 C HA 0.229 4.689 4.460 -0.000 0.000 0.359 359 C C 1.116 176.124 174.990 0.030 0.000 1.103 359 C CA -1.011 58.023 59.018 0.026 0.000 1.286 359 C CB 1.663 29.411 27.740 0.013 0.000 1.694 359 C HN 0.704 nan 8.230 nan 0.000 0.511 360 K N 0.837 121.265 120.400 0.047 0.000 1.965 360 K HA -0.089 4.231 4.320 -0.000 0.000 0.214 360 K C 0.594 177.255 176.600 0.103 0.000 1.046 360 K CA 1.627 57.954 56.287 0.066 0.000 0.944 360 K CB -0.307 32.235 32.500 0.069 0.000 0.726 360 K HN 0.767 nan 8.250 nan 0.000 0.441 361 H N 1.447 120.522 119.070 0.007 0.000 2.645 361 H HA 0.247 4.803 4.556 -0.000 0.000 0.257 361 H C -2.556 172.775 175.328 0.005 0.000 1.269 361 H CA -2.067 53.984 56.048 0.006 0.000 1.409 361 H CB 0.432 30.197 29.762 0.005 0.000 1.434 361 H HN -0.036 nan 8.280 nan 0.000 0.505 362 P HA 0.232 nan 4.420 nan 0.000 0.293 362 P C 0.249 177.443 177.300 -0.176 0.000 1.300 362 P CA -0.756 62.273 63.100 -0.117 0.000 0.792 362 P CB 1.750 33.406 31.700 -0.074 0.000 0.925 363 K N 0.785 121.128 120.400 -0.094 0.000 2.379 363 K HA 0.306 4.626 4.320 -0.000 0.000 0.194 363 K C 0.506 177.075 176.600 -0.052 0.000 1.031 363 K CA 0.202 56.446 56.287 -0.072 0.000 1.037 363 K CB 0.523 33.011 32.500 -0.019 0.000 0.824 363 K HN 0.558 nan 8.250 nan 0.000 0.516 364 A N 1.069 123.862 122.820 -0.046 0.000 2.356 364 A HA 0.600 4.919 4.320 -0.000 0.000 0.310 364 A C -0.779 176.780 177.584 -0.041 0.000 1.075 364 A CA -0.572 51.441 52.037 -0.039 0.000 0.746 364 A CB 1.576 20.557 19.000 -0.032 0.000 1.221 364 A HN -0.094 nan 8.150 nan 0.000 0.443 365 V N 1.689 121.579 119.914 -0.040 0.000 2.735 365 V HA 0.619 4.739 4.120 -0.000 0.000 0.310 365 V C 0.022 176.095 176.094 -0.035 0.000 1.061 365 V CA -0.423 61.855 62.300 -0.036 0.000 0.913 365 V CB 2.256 34.058 31.823 -0.036 0.000 1.005 365 V HN 0.942 nan 8.190 nan 0.000 0.428 366 T N 5.721 120.256 114.554 -0.033 0.000 2.824 366 T HA 0.562 4.912 4.350 -0.000 0.000 0.280 366 T C -0.376 174.305 174.700 -0.031 0.000 0.995 366 T CA -0.506 61.570 62.100 -0.040 0.000 1.009 366 T CB 1.101 69.937 68.868 -0.053 0.000 0.955 366 T HN 0.345 nan 8.240 nan 0.000 0.452 367 M N 3.596 123.176 119.600 -0.033 0.000 2.044 367 M HA 0.320 4.800 4.480 -0.000 0.000 0.333 367 M C -0.683 175.600 176.300 -0.029 0.000 1.004 367 M CA -1.016 54.269 55.300 -0.024 0.000 0.954 367 M CB 0.967 33.555 32.600 -0.020 0.000 1.468 367 M HN 0.401 nan 8.290 nan 0.000 0.414 368 L N 5.912 127.122 121.223 -0.022 0.000 2.384 368 L HA 0.337 4.677 4.340 -0.000 0.000 0.258 368 L C -0.348 176.515 176.870 -0.011 0.000 1.266 368 L CA 0.326 55.150 54.840 -0.026 0.000 1.162 368 L CB -0.576 41.475 42.059 -0.013 0.000 1.375 368 L HN 0.514 nan 8.230 nan 0.000 0.420 369 I N 4.463 125.023 120.570 -0.017 0.000 2.436 369 I HA 0.160 4.330 4.170 -0.000 0.000 0.289 369 I C 0.442 176.554 176.117 -0.008 0.000 1.083 369 I CA 0.272 61.566 61.300 -0.010 0.000 1.372 369 I CB -0.006 37.986 38.000 -0.013 0.000 1.408 369 I HN 0.494 nan 8.210 nan 0.000 0.516 370 R N 4.408 124.909 120.500 0.001 0.000 2.807 370 R HA 0.872 5.212 4.340 -0.000 0.000 0.276 370 R C -0.255 176.050 176.300 0.008 0.000 0.979 370 R CA -0.971 55.132 56.100 0.005 0.000 0.928 370 R CB 2.349 32.658 30.300 0.015 0.000 1.191 370 R HN 0.746 nan 8.270 nan 0.000 0.471 371 G N -0.770 108.035 108.800 0.009 0.000 2.550 371 G HA2 0.231 4.191 3.960 -0.000 0.000 0.293 371 G HA3 0.231 4.191 3.960 -0.000 0.000 0.293 371 G C 0.475 175.384 174.900 0.014 0.000 1.402 371 G CA -0.200 44.908 45.100 0.012 0.000 0.784 371 G HN 0.515 nan 8.290 nan 0.000 0.482 372 T N -1.938 112.627 114.554 0.017 0.000 2.639 372 T HA 0.092 4.442 4.350 -0.000 0.000 0.261 372 T C 1.416 176.129 174.700 0.021 0.000 1.053 372 T CA 2.139 64.251 62.100 0.019 0.000 1.158 372 T CB -0.835 68.045 68.868 0.020 0.000 0.863 372 T HN 1.241 nan 8.240 nan 0.000 0.413 373 T N -0.862 113.710 114.554 0.030 0.000 2.925 373 T HA 0.557 4.907 4.350 -0.000 0.000 0.285 373 T C 0.671 175.387 174.700 0.026 0.000 1.021 373 T CA -0.684 61.439 62.100 0.039 0.000 1.042 373 T CB 2.217 71.127 68.868 0.071 0.000 1.037 373 T HN 0.105 nan 8.240 nan 0.000 0.481 374 E N 0.188 120.383 120.200 -0.008 0.000 2.160 374 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 374 E C 1.522 178.057 176.600 -0.108 0.000 0.991 374 E CA 1.564 57.918 56.400 -0.077 0.000 0.810 374 E CB -0.453 29.165 29.700 -0.137 0.000 0.742 374 E HN 0.881 nan 8.360 nan 0.000 0.466 375 H N -1.679 117.391 119.070 0.001 0.000 2.462 375 H HA 0.009 4.565 4.556 -0.000 0.000 0.292 375 H C 1.863 177.192 175.328 0.001 0.000 1.049 375 H CA 1.155 57.203 56.048 0.001 0.000 1.334 375 H CB 0.348 30.111 29.762 0.001 0.000 1.404 375 H HN 0.025 nan 8.280 nan 0.000 0.544 376 V N 0.407 120.386 119.914 0.108 0.000 2.379 376 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 376 V C 2.167 178.281 176.094 0.033 0.000 1.044 376 V CA 1.518 63.855 62.300 0.061 0.000 1.036 376 V CB -0.322 31.529 31.823 0.045 0.000 0.664 376 V HN 0.385 nan 8.190 nan 0.000 0.453 377 I N 0.113 120.693 120.570 0.016 0.000 2.163 377 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 377 I C 2.560 178.674 176.117 -0.004 0.000 1.085 377 I CA 2.055 63.355 61.300 -0.001 0.000 1.347 377 I CB -0.424 37.567 38.000 -0.015 0.000 1.044 377 I HN 0.381 nan 8.210 nan 0.000 0.408 378 E N 0.713 120.908 120.200 -0.009 0.000 2.153 378 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 378 E C 2.017 178.623 176.600 0.011 0.000 0.988 378 E CA 1.256 57.651 56.400 -0.008 0.000 0.811 378 E CB 0.134 29.822 29.700 -0.019 0.000 0.746 378 E HN 0.370 nan 8.360 nan 0.000 0.466 379 E N -0.360 119.855 120.200 0.026 0.000 2.107 379 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 379 E C 1.836 178.446 176.600 0.016 0.000 0.982 379 E CA 0.906 57.322 56.400 0.026 0.000 0.809 379 E CB 0.156 29.878 29.700 0.036 0.000 0.756 379 E HN 0.099 nan 8.360 nan 0.000 0.459 380 V N 0.625 120.547 119.914 0.013 0.000 2.809 380 V HA -0.100 4.020 4.120 -0.000 0.000 0.256 380 V C 2.170 178.266 176.094 0.003 0.000 1.080 380 V CA 1.377 63.681 62.300 0.008 0.000 1.102 380 V CB -0.535 31.293 31.823 0.008 0.000 0.705 380 V HN 0.398 nan 8.190 nan 0.000 0.475 381 A N 0.173 122.993 122.820 -0.000 0.000 1.897 381 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 381 A C 2.395 179.977 177.584 -0.003 0.000 1.181 381 A CA 1.175 53.208 52.037 -0.006 0.000 0.620 381 A CB -0.354 18.639 19.000 -0.012 0.000 0.821 381 A HN 0.448 nan 8.150 nan 0.000 0.443 382 R N -0.635 119.865 120.500 0.001 0.000 2.193 382 R HA 0.078 4.418 4.340 -0.000 0.000 0.213 382 R C 2.264 178.567 176.300 0.004 0.000 1.055 382 R CA 0.809 56.911 56.100 0.003 0.000 0.995 382 R CB -0.245 30.060 30.300 0.007 0.000 0.893 382 R HN 0.504 nan 8.270 nan 0.000 0.459 383 A N 0.521 123.344 122.820 0.006 0.000 1.968 383 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 383 A C 2.176 179.762 177.584 0.004 0.000 1.169 383 A CA 0.920 52.961 52.037 0.007 0.000 0.638 383 A CB -0.139 18.866 19.000 0.009 0.000 0.812 383 A HN 0.086 nan 8.150 nan 0.000 0.446 384 V N 0.453 120.367 119.914 0.001 0.000 2.548 384 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 384 V C 2.021 178.113 176.094 -0.003 0.000 1.055 384 V CA 1.918 64.216 62.300 -0.002 0.000 1.065 384 V CB -0.698 31.122 31.823 -0.005 0.000 0.681 384 V HN 0.480 nan 8.190 nan 0.000 0.462 385 D N 0.575 120.973 120.400 -0.003 0.000 2.133 385 D HA -0.196 4.444 4.640 -0.000 0.000 0.195 385 D C 1.778 178.077 176.300 -0.002 0.000 0.997 385 D CA 1.792 55.790 54.000 -0.004 0.000 0.840 385 D CB -0.149 40.649 40.800 -0.003 0.000 0.947 385 D HN 0.484 nan 8.370 nan 0.000 0.452 386 D N 0.027 120.427 120.400 0.001 0.000 2.194 386 D HA -0.001 4.639 4.640 -0.000 0.000 0.204 386 D C 1.943 178.244 176.300 0.002 0.000 0.964 386 D CA 0.972 54.973 54.000 0.002 0.000 0.846 386 D CB -0.144 40.659 40.800 0.005 0.000 0.962 386 D HN 0.126 nan 8.370 nan 0.000 0.490 387 A N 0.200 123.021 122.820 0.001 0.000 1.968 387 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 387 A C 2.263 179.846 177.584 -0.001 0.000 1.169 387 A CA 0.690 52.727 52.037 0.001 0.000 0.638 387 A CB -0.456 18.545 19.000 0.001 0.000 0.812 387 A HN 0.132 nan 8.150 nan 0.000 0.446 388 V N -0.224 119.688 119.914 -0.003 0.000 2.379 388 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 388 V C 2.793 178.885 176.094 -0.004 0.000 1.044 388 V CA 1.798 64.094 62.300 -0.005 0.000 1.036 388 V CB -1.226 30.592 31.823 -0.008 0.000 0.664 388 V HN 0.582 nan 8.190 nan 0.000 0.453 389 G N 0.724 109.523 108.800 -0.003 0.000 2.421 389 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 389 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 389 G C 1.749 176.649 174.900 -0.000 0.000 1.171 389 G CA 1.631 46.730 45.100 -0.002 0.000 0.775 389 G HN 0.534 nan 8.290 nan 0.000 0.543 390 V N -0.771 119.143 119.914 0.001 0.000 2.343 390 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 390 V C 2.738 178.833 176.094 0.001 0.000 1.051 390 V CA 1.759 64.060 62.300 0.002 0.000 1.036 390 V CB -0.979 30.847 31.823 0.004 0.000 0.654 390 V HN 0.156 nan 8.190 nan 0.000 0.451 391 V N 1.839 121.753 119.914 -0.000 0.000 2.427 391 V HA -0.027 4.093 4.120 -0.000 0.000 0.248 391 V C 2.909 179.002 176.094 -0.002 0.000 1.051 391 V CA 2.074 64.374 62.300 -0.001 0.000 1.048 391 V CB -1.469 30.353 31.823 -0.002 0.000 0.666 391 V HN 0.630 nan 8.190 nan 0.000 0.456 392 G N -1.358 107.441 108.800 -0.003 0.000 2.422 392 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 392 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 392 G C 1.650 176.549 174.900 -0.001 0.000 1.140 392 G CA 1.250 46.348 45.100 -0.003 0.000 0.775 392 G HN 0.539 nan 8.290 nan 0.000 0.545 393 C N 0.555 119.855 119.300 -0.000 0.000 2.467 393 C HA 0.063 4.523 4.460 -0.000 0.000 0.279 393 C C 3.174 178.165 174.990 0.001 0.000 1.347 393 C CA 1.374 60.392 59.018 0.001 0.000 1.748 393 C CB -0.728 27.013 27.740 0.002 0.000 1.977 393 C HN 0.436 nan 8.230 nan 0.000 0.501 394 T N 1.354 115.909 114.554 0.001 0.000 2.857 394 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 394 T C 1.604 176.305 174.700 0.002 0.000 1.048 394 T CA 1.159 63.260 62.100 0.002 0.000 1.139 394 T CB -0.198 68.671 68.868 0.002 0.000 0.874 394 T HN 0.476 nan 8.240 nan 0.000 0.455 395 I N 0.912 121.483 120.570 0.001 0.000 2.252 395 I HA -0.102 4.068 4.170 -0.000 0.000 0.245 395 I C 2.637 178.755 176.117 0.002 0.000 1.102 395 I CA 1.271 62.572 61.300 0.002 0.000 1.385 395 I CB -0.303 37.698 38.000 0.001 0.000 1.064 395 I HN 0.268 nan 8.210 nan 0.000 0.414 396 E N 0.537 120.738 120.200 0.002 0.000 2.107 396 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 396 E C 1.388 177.990 176.600 0.002 0.000 0.982 396 E CA 1.086 57.487 56.400 0.002 0.000 0.809 396 E CB 0.111 29.812 29.700 0.001 0.000 0.756 396 E HN 0.504 nan 8.360 nan 0.000 0.459 397 D N -1.590 118.811 120.400 0.002 0.000 2.527 397 D HA 0.048 4.688 4.640 -0.000 0.000 0.249 397 D C 1.432 177.734 176.300 0.002 0.000 1.029 397 D CA 1.346 55.347 54.000 0.002 0.000 0.951 397 D CB 0.541 41.343 40.800 0.002 0.000 1.093 397 D HN 0.309 nan 8.370 nan 0.000 0.464 398 G N 0.071 108.872 108.800 0.002 0.000 2.260 398 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.179 398 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.179 398 G C 0.266 175.168 174.900 0.003 0.000 1.002 398 G CA -0.512 44.590 45.100 0.002 0.000 0.677 398 G HN 0.165 nan 8.290 nan 0.000 0.486 399 R N 0.452 120.954 120.500 0.003 0.000 2.502 399 R HA 0.659 4.999 4.340 -0.000 0.000 0.300 399 R C -0.321 175.982 176.300 0.004 0.000 0.984 399 R CA -0.584 55.518 56.100 0.003 0.000 0.882 399 R CB 1.577 31.879 30.300 0.002 0.000 1.180 399 R HN 0.521 nan 8.270 nan 0.000 0.444 400 I N -0.412 120.161 120.570 0.005 0.000 2.892 400 I HA 0.773 4.943 4.170 -0.000 0.000 0.306 400 I C -0.372 175.750 176.117 0.009 0.000 1.078 400 I CA -1.235 60.069 61.300 0.007 0.000 1.032 400 I CB 2.258 40.263 38.000 0.007 0.000 1.229 400 I HN 0.255 nan 8.210 nan 0.000 0.435 401 V N 0.391 120.312 119.914 0.011 0.000 3.040 401 V HA 0.697 4.817 4.120 -0.000 0.000 0.312 401 V C 0.195 176.299 176.094 0.018 0.000 1.115 401 V CA -0.684 61.625 62.300 0.014 0.000 0.998 401 V CB 1.289 33.120 31.823 0.014 0.000 1.042 401 V HN 0.976 nan 8.190 nan 0.000 0.433 402 S N 1.675 117.390 115.700 0.024 0.000 2.531 402 S HA 0.622 5.092 4.470 -0.000 0.000 0.279 402 S C 0.496 175.113 174.600 0.028 0.000 1.305 402 S CA 0.132 58.349 58.200 0.028 0.000 1.058 402 S CB 0.632 63.854 63.200 0.037 0.000 0.899 402 S HN 1.695 nan 8.310 nan 0.000 0.493 403 G N 0.706 109.522 108.800 0.026 0.000 2.532 403 G HA2 0.568 4.528 3.960 -0.000 0.000 0.291 403 G HA3 0.568 4.528 3.960 -0.000 0.000 0.291 403 G C 0.848 175.764 174.900 0.026 0.000 1.349 403 G CA -0.656 44.457 45.100 0.023 0.000 1.038 403 G HN 1.999 nan 8.290 nan 0.000 0.518 404 G N -2.068 106.744 108.800 0.020 0.000 2.198 404 G HA2 0.279 4.239 3.960 -0.000 0.000 0.257 404 G HA3 0.279 4.239 3.960 -0.000 0.000 0.257 404 G C 1.261 176.166 174.900 0.009 0.000 1.042 404 G CA 0.960 46.069 45.100 0.016 0.000 0.791 404 G HN 2.507 nan 8.290 nan 0.000 0.502 405 G N -1.486 107.315 108.800 0.001 0.000 2.246 405 G HA2 0.007 3.967 3.960 -0.000 0.000 0.273 405 G HA3 0.007 3.967 3.960 -0.000 0.000 0.273 405 G C 1.066 175.965 174.900 -0.001 0.000 1.055 405 G CA 1.501 46.595 45.100 -0.011 0.000 0.851 405 G HN 1.928 nan 8.290 nan 0.000 0.500 406 S N -1.091 114.623 115.700 0.024 0.000 2.444 406 S HA 0.011 4.481 4.470 -0.000 0.000 0.223 406 S C 2.627 177.265 174.600 0.063 0.000 1.054 406 S CA 1.943 60.188 58.200 0.075 0.000 0.947 406 S CB -0.154 63.100 63.200 0.091 0.000 0.850 406 S HN 1.124 nan 8.310 nan 0.000 0.527 407 T N -0.336 114.241 114.554 0.038 0.000 3.072 407 T HA 0.142 4.492 4.350 -0.000 0.000 0.266 407 T C 1.280 175.964 174.700 -0.027 0.000 1.127 407 T CA 0.927 63.042 62.100 0.025 0.000 1.107 407 T CB -0.357 68.525 68.868 0.023 0.000 0.910 407 T HN 0.333 nan 8.240 nan 0.000 0.513 408 E N 0.995 121.165 120.200 -0.049 0.000 2.208 408 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 408 E C 2.154 178.681 176.600 -0.121 0.000 0.988 408 E CA 0.489 56.846 56.400 -0.071 0.000 0.828 408 E CB -0.292 29.370 29.700 -0.064 0.000 0.763 408 E HN 0.406 nan 8.360 nan 0.000 0.478 409 V N 0.442 120.231 119.914 -0.210 0.000 2.446 409 V HA -0.137 3.983 4.120 -0.000 0.000 0.244 409 V C 2.206 178.057 176.094 -0.405 0.000 1.039 409 V CA 1.500 63.585 62.300 -0.358 0.000 1.045 409 V CB -0.295 31.189 31.823 -0.565 0.000 0.681 409 V HN 0.161 nan 8.190 nan 0.000 0.459 410 E N 0.812 120.787 120.200 -0.374 0.000 2.077 410 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 410 E C 1.938 178.520 176.600 -0.030 0.000 0.989 410 E CA 1.424 57.777 56.400 -0.078 0.000 0.800 410 E CB -0.379 29.401 29.700 0.132 0.000 0.746 410 E HN 0.423 nan 8.360 nan 0.000 0.452 411 L N -0.127 121.072 121.223 -0.040 0.000 2.217 411 L HA 0.014 4.354 4.340 -0.000 0.000 0.211 411 L C 2.325 179.188 176.870 -0.013 0.000 1.107 411 L CA 1.603 56.432 54.840 -0.018 0.000 0.783 411 L CB -0.640 41.412 42.059 -0.012 0.000 0.919 411 L HN 0.159 nan 8.230 nan 0.000 0.442 412 S N -0.459 115.216 115.700 -0.041 0.000 2.371 412 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 412 S C 2.066 176.662 174.600 -0.008 0.000 1.029 412 S CA 1.487 59.670 58.200 -0.028 0.000 0.978 412 S CB -0.227 62.936 63.200 -0.063 0.000 0.833 412 S HN 0.612 nan 8.310 nan 0.000 0.466 413 M N -0.535 119.053 119.600 -0.021 0.000 2.349 413 M HA 0.217 4.697 4.480 -0.000 0.000 0.266 413 M C 1.654 177.974 176.300 0.033 0.000 1.076 413 M CA 1.216 56.520 55.300 0.007 0.000 1.126 413 M CB -0.203 32.402 32.600 0.009 0.000 1.392 413 M HN -0.067 nan 8.290 nan 0.000 0.440 414 K N 1.109 121.528 120.400 0.032 0.000 2.366 414 K HA 0.187 4.507 4.320 -0.000 0.000 0.198 414 K C 1.805 178.447 176.600 0.070 0.000 1.044 414 K CA 0.855 57.168 56.287 0.043 0.000 0.973 414 K CB -0.024 32.488 32.500 0.021 0.000 0.767 414 K HN 0.491 nan 8.250 nan 0.000 0.475 415 L N -0.282 120.987 121.223 0.077 0.000 2.416 415 L HA 0.074 4.414 4.340 -0.000 0.000 0.216 415 L C 2.294 179.268 176.870 0.173 0.000 1.098 415 L CA 0.297 55.225 54.840 0.146 0.000 0.840 415 L CB 0.001 42.131 42.059 0.118 0.000 0.981 415 L HN 0.020 nan 8.230 nan 0.000 0.462 416 R N 0.488 121.048 120.500 0.101 0.000 2.090 416 R HA -0.137 4.203 4.340 -0.000 0.000 0.228 416 R C 2.051 178.388 176.300 0.062 0.000 1.110 416 R CA 1.475 57.617 56.100 0.070 0.000 0.973 416 R CB -0.021 30.304 30.300 0.042 0.000 0.869 416 R HN 0.503 nan 8.270 nan 0.000 0.440 417 E N -0.472 119.774 120.200 0.076 0.000 2.285 417 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 417 E C 1.568 178.222 176.600 0.090 0.000 0.997 417 E CA 0.758 57.198 56.400 0.065 0.000 0.845 417 E CB -0.344 29.392 29.700 0.061 0.000 0.782 417 E HN 0.390 nan 8.360 nan 0.000 0.491 418 Y N 1.854 122.154 120.300 -0.001 0.000 2.314 418 Y HA 0.088 4.638 4.550 -0.000 0.000 0.293 418 Y C 2.379 178.274 175.900 -0.009 0.000 1.129 418 Y CA 1.040 59.136 58.100 -0.007 0.000 1.201 418 Y CB -0.278 38.174 38.460 -0.013 0.000 0.999 418 Y HN 0.118 nan 8.280 nan 0.000 0.541 419 A N 0.337 123.100 122.820 -0.096 0.000 1.969 419 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 419 A C 2.032 179.532 177.584 -0.140 0.000 1.169 419 A CA 1.587 53.527 52.037 -0.162 0.000 0.635 419 A CB -0.602 18.380 19.000 -0.030 0.000 0.810 419 A HN 0.622 nan 8.150 nan 0.000 0.445 420 E N -0.627 119.525 120.200 -0.081 0.000 2.153 420 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 420 E C 1.660 178.212 176.600 -0.080 0.000 0.988 420 E CA 0.769 57.135 56.400 -0.057 0.000 0.811 420 E CB -0.237 29.450 29.700 -0.022 0.000 0.746 420 E HN 0.595 nan 8.360 nan 0.000 0.466 421 G N 0.579 109.305 108.800 -0.123 0.000 3.314 421 G HA2 0.180 4.140 3.960 -0.000 0.000 0.238 421 G HA3 0.180 4.140 3.960 -0.000 0.000 0.238 421 G C 0.287 175.087 174.900 -0.167 0.000 1.184 421 G CA -0.244 44.783 45.100 -0.121 0.000 0.806 421 G HN 0.004 nan 8.290 nan 0.000 0.536 422 I N 1.823 122.280 120.570 -0.189 0.000 2.389 422 I HA 0.268 4.438 4.170 -0.000 0.000 0.288 422 I C -0.039 176.019 176.117 -0.098 0.000 0.999 422 I CA -0.738 60.458 61.300 -0.173 0.000 1.129 422 I CB 2.156 40.011 38.000 -0.242 0.000 1.288 422 I HN 0.046 nan 8.210 nan 0.000 0.444 423 S N 4.372 120.030 115.700 -0.070 0.000 2.508 423 S HA 0.945 5.415 4.470 -0.000 0.000 0.284 423 S C 0.127 174.707 174.600 -0.033 0.000 1.192 423 S CA -0.069 58.105 58.200 -0.044 0.000 1.070 423 S CB 1.756 64.935 63.200 -0.034 0.000 1.004 423 S HN 1.210 nan 8.310 nan 0.000 0.493 424 G N 1.878 110.665 108.800 -0.022 0.000 2.362 424 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.517 424 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.517 424 G C -0.078 174.820 174.900 -0.004 0.000 1.256 424 G CA -0.387 44.706 45.100 -0.012 0.000 1.027 424 G HN 0.726 nan 8.290 nan 0.000 0.491 425 R N 0.598 121.102 120.500 0.007 0.000 2.276 425 R HA 0.135 4.475 4.340 -0.000 0.000 0.196 425 R C 2.409 178.727 176.300 0.030 0.000 0.961 425 R CA 1.386 57.497 56.100 0.019 0.000 1.024 425 R CB -0.168 30.147 30.300 0.026 0.000 0.940 425 R HN 0.707 nan 8.270 nan 0.000 0.480 426 E N -0.078 120.136 120.200 0.023 0.000 2.347 426 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 426 E C 1.637 178.253 176.600 0.026 0.000 1.008 426 E CA 0.531 56.951 56.400 0.034 0.000 0.852 426 E CB -0.119 29.593 29.700 0.021 0.000 0.783 426 E HN 0.342 nan 8.360 nan 0.000 0.505 427 Q N 1.299 121.100 119.800 0.001 0.000 2.084 427 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 427 Q C 2.231 178.245 176.000 0.023 0.000 0.978 427 Q CA 1.320 57.115 55.803 -0.014 0.000 0.844 427 Q CB -0.072 28.649 28.738 -0.028 0.000 0.898 427 Q HN 0.434 nan 8.270 nan 0.000 0.426 428 L N 0.271 121.519 121.223 0.042 0.000 2.191 428 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 428 L C 2.482 179.420 176.870 0.114 0.000 1.103 428 L CA 0.903 55.781 54.840 0.063 0.000 0.769 428 L CB -0.432 41.660 42.059 0.056 0.000 0.908 428 L HN 0.239 nan 8.230 nan 0.000 0.438 429 A N -0.566 122.344 122.820 0.148 0.000 1.929 429 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 429 A C 2.281 179.993 177.584 0.214 0.000 1.176 429 A CA 1.283 53.493 52.037 0.288 0.000 0.628 429 A CB -0.520 18.671 19.000 0.319 0.000 0.816 429 A HN 0.180 nan 8.150 nan 0.000 0.444 430 V N -0.045 119.932 119.914 0.105 0.000 2.453 430 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 430 V C 2.541 178.691 176.094 0.093 0.000 1.048 430 V CA 1.875 64.211 62.300 0.059 0.000 1.049 430 V CB -0.809 31.029 31.823 0.025 0.000 0.672 430 V HN 0.489 nan 8.190 nan 0.000 0.457 431 R N 0.430 120.975 120.500 0.075 0.000 2.081 431 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 431 R C 2.401 178.739 176.300 0.064 0.000 1.131 431 R CA 1.477 57.614 56.100 0.062 0.000 0.960 431 R CB -0.523 29.804 30.300 0.045 0.000 0.856 431 R HN 0.522 nan 8.270 nan 0.000 0.436 432 A N 0.163 123.036 122.820 0.088 0.000 2.014 432 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 432 A C 1.857 179.439 177.584 -0.004 0.000 1.163 432 A CA 0.737 52.823 52.037 0.081 0.000 0.652 432 A CB -0.442 18.665 19.000 0.179 0.000 0.808 432 A HN 0.315 nan 8.150 nan 0.000 0.449 433 F N 0.539 120.345 119.950 -0.241 0.000 2.206 433 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 433 F C 2.474 178.159 175.800 -0.192 0.000 1.090 433 F CA 1.192 58.953 58.000 -0.398 0.000 1.323 433 F CB -0.056 38.631 39.000 -0.521 0.000 1.028 433 F HN 0.247 nan 8.300 nan 0.000 0.492 434 A N -0.538 122.340 122.820 0.097 0.000 1.970 434 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 434 A C 1.724 179.292 177.584 -0.025 0.000 1.170 434 A CA 1.648 53.717 52.037 0.053 0.000 0.645 434 A CB -0.706 18.343 19.000 0.082 0.000 0.816 434 A HN 0.339 nan 8.150 nan 0.000 0.447 435 D N 0.100 120.483 120.400 -0.027 0.000 2.269 435 D HA 0.076 4.716 4.640 -0.000 0.000 0.208 435 D C 1.913 178.170 176.300 -0.072 0.000 0.963 435 D CA 1.140 55.117 54.000 -0.038 0.000 0.864 435 D CB -0.143 40.648 40.800 -0.014 0.000 0.936 435 D HN 0.426 nan 8.370 nan 0.000 0.505 436 A N -0.028 122.717 122.820 -0.125 0.000 2.119 436 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 436 A C 2.021 179.497 177.584 -0.182 0.000 1.152 436 A CA 0.274 52.213 52.037 -0.165 0.000 0.708 436 A CB -0.404 18.449 19.000 -0.245 0.000 0.805 436 A HN 0.200 nan 8.150 nan 0.000 0.460 437 L N -0.629 120.487 121.223 -0.178 0.000 2.376 437 L HA -0.055 4.285 4.340 -0.000 0.000 0.219 437 L C 1.662 178.470 176.870 -0.103 0.000 1.133 437 L CA 0.746 55.498 54.840 -0.147 0.000 0.816 437 L CB -0.228 41.762 42.059 -0.115 0.000 0.933 437 L HN 0.408 nan 8.230 nan 0.000 0.449 438 E N -0.711 119.436 120.200 -0.089 0.000 2.445 438 E HA -0.061 4.289 4.350 -0.000 0.000 0.189 438 E C 1.853 178.414 176.600 -0.065 0.000 1.069 438 E CA -0.092 56.264 56.400 -0.073 0.000 0.871 438 E CB 0.481 30.144 29.700 -0.062 0.000 0.991 438 E HN 0.222 nan 8.360 nan 0.000 0.481 439 V N 0.947 120.818 119.914 -0.072 0.000 2.488 439 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 439 V C 1.767 177.828 176.094 -0.055 0.000 1.046 439 V CA 1.038 63.301 62.300 -0.062 0.000 1.053 439 V CB -0.042 31.740 31.823 -0.067 0.000 0.679 439 V HN 0.276 nan 8.190 nan 0.000 0.458 440 I N 1.004 121.539 120.570 -0.058 0.000 2.202 440 I HA -0.076 4.094 4.170 -0.000 0.000 0.242 440 I C 0.032 176.123 176.117 -0.043 0.000 1.091 440 I CA 1.612 62.883 61.300 -0.048 0.000 1.368 440 I CB -2.911 35.061 38.000 -0.047 0.000 1.058 440 I HN 0.359 nan 8.210 nan 0.000 0.410 441 P HA -0.099 nan 4.420 nan 0.000 0.221 441 P C 1.816 179.093 177.300 -0.038 0.000 1.150 441 P CA 1.254 64.330 63.100 -0.039 0.000 0.800 441 P CB -0.134 31.540 31.700 -0.044 0.000 0.787 442 R N -0.067 120.409 120.500 -0.040 0.000 2.073 442 R HA -0.068 4.272 4.340 -0.000 0.000 0.229 442 R C 1.908 178.185 176.300 -0.037 0.000 1.120 442 R CA 2.012 58.090 56.100 -0.037 0.000 0.967 442 R CB -0.700 29.577 30.300 -0.037 0.000 0.862 442 R HN 0.204 nan 8.270 nan 0.000 0.436 443 T N -1.093 113.438 114.554 -0.039 0.000 2.995 443 T HA -0.015 4.335 4.350 -0.000 0.000 0.269 443 T C 1.910 176.585 174.700 -0.042 0.000 1.091 443 T CA 0.600 62.677 62.100 -0.038 0.000 1.128 443 T CB -0.151 68.694 68.868 -0.038 0.000 0.891 443 T HN 0.153 nan 8.240 nan 0.000 0.492 444 L N 0.555 121.752 121.223 -0.043 0.000 2.201 444 L HA 0.117 4.457 4.340 -0.000 0.000 0.212 444 L C 3.069 179.904 176.870 -0.059 0.000 1.105 444 L CA 1.067 55.877 54.840 -0.051 0.000 0.775 444 L CB -0.461 41.570 42.059 -0.046 0.000 0.913 444 L HN 0.397 nan 8.230 nan 0.000 0.440 445 A N -0.767 122.023 122.820 -0.049 0.000 2.030 445 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 445 A C 2.112 179.669 177.584 -0.046 0.000 1.164 445 A CA 0.567 52.575 52.037 -0.048 0.000 0.697 445 A CB -0.153 18.825 19.000 -0.037 0.000 0.827 445 A HN 0.346 nan 8.150 nan 0.000 0.457 446 E N 0.347 120.522 120.200 -0.041 0.000 2.110 446 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 446 E C 1.111 177.686 176.600 -0.041 0.000 0.988 446 E CA 1.197 57.575 56.400 -0.037 0.000 0.804 446 E CB -0.091 29.589 29.700 -0.034 0.000 0.745 446 E HN 0.520 nan 8.360 nan 0.000 0.458 447 N N -0.231 118.440 118.700 -0.048 0.000 2.373 447 N HA 0.038 4.778 4.740 -0.000 0.000 0.181 447 N C 1.303 176.771 175.510 -0.069 0.000 1.082 447 N CA 0.620 53.638 53.050 -0.053 0.000 0.885 447 N CB 0.386 38.842 38.487 -0.052 0.000 0.977 447 N HN 0.067 nan 8.380 nan 0.000 0.462 448 A N 0.131 122.903 122.820 -0.080 0.000 1.930 448 A HA 0.346 4.666 4.320 -0.000 0.000 0.215 448 A C 1.727 179.265 177.584 -0.078 0.000 1.176 448 A CA 1.788 53.763 52.037 -0.104 0.000 0.632 448 A CB -0.250 18.680 19.000 -0.117 0.000 0.819 448 A HN 0.326 nan 8.150 nan 0.000 0.445 449 G N -2.516 106.250 108.800 -0.056 0.000 2.380 449 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.197 449 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.197 449 G C 0.053 174.933 174.900 -0.033 0.000 1.001 449 G CA -0.013 45.063 45.100 -0.041 0.000 0.668 449 G HN 0.352 nan 8.290 nan 0.000 0.483 450 L N 1.635 122.836 121.223 -0.037 0.000 2.466 450 L HA 0.580 4.920 4.340 -0.000 0.000 0.257 450 L C 0.615 177.470 176.870 -0.025 0.000 1.189 450 L CA -0.345 54.478 54.840 -0.028 0.000 0.813 450 L CB 0.491 42.533 42.059 -0.029 0.000 1.118 450 L HN 0.189 nan 8.230 nan 0.000 0.471 451 D N 0.090 120.478 120.400 -0.019 0.000 2.383 451 D HA 0.256 4.896 4.640 -0.000 0.000 0.252 451 D C 0.504 176.793 176.300 -0.019 0.000 1.166 451 D CA 0.338 54.327 54.000 -0.017 0.000 0.879 451 D CB 1.390 42.182 40.800 -0.013 0.000 1.164 451 D HN 0.581 nan 8.370 nan 0.000 0.462 452 A N 3.727 126.535 122.820 -0.020 0.000 2.208 452 A HA 0.046 4.366 4.320 -0.000 0.000 0.209 452 A C 1.764 179.337 177.584 -0.019 0.000 1.161 452 A CA 0.447 52.470 52.037 -0.022 0.000 0.782 452 A CB -0.393 18.592 19.000 -0.025 0.000 0.816 452 A HN 0.720 nan 8.150 nan 0.000 0.477 453 I N -1.730 118.830 120.570 -0.015 0.000 3.081 453 I HA 0.036 4.206 4.170 -0.000 0.000 0.274 453 I C 2.190 178.301 176.117 -0.010 0.000 1.178 453 I CA 0.872 62.165 61.300 -0.013 0.000 1.460 453 I CB 0.009 38.003 38.000 -0.011 0.000 1.137 453 I HN 0.223 nan 8.210 nan 0.000 0.443 454 E N 2.020 122.215 120.200 -0.009 0.000 2.051 454 E HA -0.056 4.294 4.350 -0.000 0.000 0.189 454 E C 2.079 178.677 176.600 -0.003 0.000 0.979 454 E CA 1.389 57.785 56.400 -0.005 0.000 0.803 454 E CB -0.113 29.584 29.700 -0.005 0.000 0.761 454 E HN 0.435 nan 8.360 nan 0.000 0.451 455 I N 0.292 120.859 120.570 -0.006 0.000 2.439 455 I HA -0.143 4.027 4.170 -0.000 0.000 0.251 455 I C 2.106 178.222 176.117 -0.002 0.000 1.139 455 I CA 0.310 61.609 61.300 -0.003 0.000 1.438 455 I CB -0.177 37.819 38.000 -0.007 0.000 1.085 455 I HN 0.137 nan 8.210 nan 0.000 0.427 456 L N 0.389 121.606 121.223 -0.009 0.000 2.261 456 L HA -0.140 4.200 4.340 -0.000 0.000 0.216 456 L C 2.131 178.996 176.870 -0.007 0.000 1.114 456 L CA 1.535 56.367 54.840 -0.013 0.000 0.777 456 L CB -0.181 41.867 42.059 -0.019 0.000 0.910 456 L HN 0.021 nan 8.230 nan 0.000 0.440 457 V N -1.722 118.191 119.914 -0.001 0.000 2.685 457 V HA -0.106 4.014 4.120 -0.000 0.000 0.244 457 V C 2.351 178.454 176.094 0.015 0.000 1.054 457 V CA 1.007 63.310 62.300 0.005 0.000 1.076 457 V CB -0.365 31.460 31.823 0.004 0.000 0.725 457 V HN 0.320 nan 8.190 nan 0.000 0.467 458 K N 0.292 120.702 120.400 0.016 0.000 2.057 458 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 458 K C 2.030 178.656 176.600 0.042 0.000 1.049 458 K CA 1.517 57.818 56.287 0.023 0.000 0.931 458 K CB -0.261 32.249 32.500 0.017 0.000 0.714 458 K HN 0.345 nan 8.250 nan 0.000 0.440 459 V N 0.851 120.795 119.914 0.050 0.000 2.488 459 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 459 V C 2.273 178.451 176.094 0.140 0.000 1.046 459 V CA 1.284 63.646 62.300 0.103 0.000 1.053 459 V CB -0.457 31.414 31.823 0.079 0.000 0.679 459 V HN 0.272 nan 8.190 nan 0.000 0.458 460 R N 0.466 121.000 120.500 0.057 0.000 2.096 460 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 460 R C 2.205 178.549 176.300 0.075 0.000 1.127 460 R CA 1.618 57.740 56.100 0.038 0.000 0.968 460 R CB -0.324 29.979 30.300 0.004 0.000 0.861 460 R HN 0.505 nan 8.270 nan 0.000 0.440 461 A N -0.022 122.835 122.820 0.061 0.000 2.067 461 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 461 A C 1.883 179.501 177.584 0.058 0.000 1.156 461 A CA 1.121 53.188 52.037 0.051 0.000 0.683 461 A CB -0.108 18.911 19.000 0.031 0.000 0.808 461 A HN 0.426 nan 8.150 nan 0.000 0.455 462 A N -2.119 120.747 122.820 0.077 0.000 2.278 462 A HA 0.154 4.474 4.320 -0.000 0.000 0.212 462 A C 1.468 179.050 177.584 -0.003 0.000 1.213 462 A CA 0.317 52.376 52.037 0.037 0.000 0.840 462 A CB -0.572 18.445 19.000 0.028 0.000 0.866 462 A HN 0.630 nan 8.150 nan 0.000 0.489 463 H N -1.158 117.914 119.070 0.003 0.000 2.885 463 H HA 0.345 4.901 4.556 -0.000 0.000 0.260 463 H C 1.281 176.612 175.328 0.005 0.000 0.985 463 H CA 0.531 56.581 56.048 0.004 0.000 1.210 463 H CB 0.448 30.212 29.762 0.003 0.000 1.466 463 H HN 0.531 nan 8.280 nan 0.000 0.493 464 A N 1.325 124.206 122.820 0.102 0.000 2.475 464 A HA 0.224 4.543 4.320 -0.000 0.000 0.239 464 A C 1.466 179.070 177.584 0.034 0.000 1.087 464 A CA 0.908 52.981 52.037 0.061 0.000 0.779 464 A CB 0.202 19.229 19.000 0.045 0.000 1.036 464 A HN 0.657 nan 8.150 nan 0.000 0.506 465 S N 1.050 116.768 115.700 0.029 0.000 4.159 465 S HA -0.372 4.098 4.470 -0.000 0.000 0.538 465 S C 1.045 175.653 174.600 0.014 0.000 1.856 465 S CA 2.234 60.445 58.200 0.018 0.000 4.240 465 S CB -1.603 61.603 63.200 0.011 0.000 0.335 465 S HN 0.993 nan 8.310 nan 0.000 0.455 466 N N 2.417 121.118 118.700 0.002 0.000 3.039 466 N HA 0.445 5.185 4.740 -0.000 0.000 0.231 466 N C 0.877 176.369 175.510 -0.029 0.000 1.053 466 N CA 0.807 53.853 53.050 -0.007 0.000 1.191 466 N CB -0.949 37.532 38.487 -0.009 0.000 1.597 466 N HN 0.963 nan 8.380 nan 0.000 0.585 467 G N 0.277 109.049 108.800 -0.046 0.000 2.569 467 G HA2 0.108 4.068 3.960 -0.000 0.000 0.249 467 G HA3 0.108 4.068 3.960 -0.000 0.000 0.249 467 G C 0.366 175.167 174.900 -0.165 0.000 1.216 467 G CA -0.133 44.913 45.100 -0.089 0.000 0.845 467 G HN 0.212 nan 8.290 nan 0.000 0.568 468 N N -0.405 118.106 118.700 -0.316 0.000 2.454 468 N HA 0.028 4.768 4.740 -0.000 0.000 0.177 468 N C 1.534 176.916 175.510 -0.213 0.000 1.049 468 N CA 0.405 53.315 53.050 -0.233 0.000 0.887 468 N CB 0.201 38.563 38.487 -0.208 0.000 1.095 468 N HN 0.815 nan 8.380 nan 0.000 0.446 469 K N -1.059 119.133 120.400 -0.348 0.000 3.483 469 K HA -0.225 4.095 4.320 -0.000 0.000 0.288 469 K C 0.319 176.927 176.600 0.013 0.000 0.894 469 K CA 1.352 57.597 56.287 -0.070 0.000 1.245 469 K CB -1.569 30.928 32.500 -0.005 0.000 1.368 469 K HN 0.313 nan 8.250 nan 0.000 0.477 470 C N 1.482 120.743 119.300 -0.065 0.000 3.000 470 C HA 0.644 5.104 4.460 -0.000 0.000 0.286 470 C C 0.636 175.625 174.990 -0.002 0.000 1.343 470 C CA 0.207 59.223 59.018 -0.003 0.000 1.742 470 C CB -0.780 26.954 27.740 -0.009 0.000 2.200 470 C HN 0.446 nan 8.230 nan 0.000 0.621 471 A N 0.691 123.482 122.820 -0.049 0.000 2.362 471 A HA 0.678 4.998 4.320 -0.000 0.000 0.276 471 A C 0.486 178.154 177.584 0.140 0.000 1.153 471 A CA 0.579 52.620 52.037 0.006 0.000 0.813 471 A CB 0.080 19.025 19.000 -0.092 0.000 1.081 471 A HN 0.773 nan 8.150 nan 0.000 0.507 472 G N 0.327 109.177 108.800 0.083 0.000 2.727 472 G HA2 0.535 4.495 3.960 -0.000 0.000 0.289 472 G HA3 0.535 4.495 3.960 -0.000 0.000 0.289 472 G C -1.546 173.382 174.900 0.046 0.000 1.418 472 G CA -0.695 44.450 45.100 0.074 0.000 0.818 472 G HN 0.988 nan 8.290 nan 0.000 0.486 473 L N 0.848 122.089 121.223 0.030 0.000 2.265 473 L HA 0.583 4.923 4.340 -0.000 0.000 0.288 473 L C -0.389 176.490 176.870 0.015 0.000 1.058 473 L CA -0.911 53.938 54.840 0.015 0.000 0.809 473 L CB 1.122 43.179 42.059 -0.003 0.000 1.179 473 L HN 0.417 nan 8.230 nan 0.000 0.429 474 N N 3.306 122.022 118.700 0.026 0.000 2.439 474 N HA 0.158 4.898 4.740 -0.000 0.000 0.249 474 N C 0.926 176.438 175.510 0.004 0.000 1.003 474 N CA -0.171 52.911 53.050 0.052 0.000 0.942 474 N CB 1.391 39.935 38.487 0.095 0.000 1.115 474 N HN 0.541 nan 8.380 nan 0.000 0.505 475 V N 1.901 121.752 119.914 -0.105 0.000 2.759 475 V HA -0.060 4.060 4.120 -0.000 0.000 0.256 475 V C 1.316 177.221 176.094 -0.314 0.000 1.080 475 V CA 1.337 63.474 62.300 -0.270 0.000 1.101 475 V CB -1.056 30.504 31.823 -0.438 0.000 0.698 475 V HN 0.406 nan 8.190 nan 0.000 0.477 476 F N 1.476 121.426 119.950 0.001 0.000 2.219 476 F HA 0.069 4.596 4.527 -0.000 0.000 0.294 476 F C 2.627 178.427 175.800 0.001 0.000 1.086 476 F CA 1.601 59.601 58.000 0.000 0.000 1.330 476 F CB -1.107 37.893 39.000 0.000 0.000 1.047 476 F HN 0.055 nan 8.300 nan 0.000 0.495 477 T N -1.210 113.454 114.554 0.182 0.000 2.809 477 T HA 0.222 4.572 4.350 -0.000 0.000 0.260 477 T C 2.062 176.795 174.700 0.054 0.000 1.039 477 T CA 1.441 63.602 62.100 0.101 0.000 1.141 477 T CB -0.633 68.285 68.868 0.083 0.000 0.869 477 T HN 0.482 nan 8.240 nan 0.000 0.437 478 G N 1.414 110.234 108.800 0.032 0.000 2.475 478 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.209 478 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.209 478 G C 0.394 175.299 174.900 0.009 0.000 1.127 478 G CA -0.021 45.084 45.100 0.008 0.000 0.681 478 G HN 0.924 nan 8.290 nan 0.000 0.517 479 A N 0.496 123.327 122.820 0.018 0.000 2.332 479 A HA 0.701 5.021 4.320 -0.000 0.000 0.258 479 A C 0.791 178.386 177.584 0.020 0.000 1.087 479 A CA 0.577 52.624 52.037 0.016 0.000 0.802 479 A CB 1.192 20.201 19.000 0.016 0.000 1.042 479 A HN 1.776 nan 8.150 nan 0.000 0.489 480 V N 1.686 121.611 119.914 0.018 0.000 2.485 480 V HA 0.232 4.352 4.120 -0.000 0.000 0.287 480 V C 0.115 176.222 176.094 0.022 0.000 1.022 480 V CA 0.599 62.913 62.300 0.023 0.000 1.067 480 V CB -0.184 31.655 31.823 0.027 0.000 0.967 480 V HN 0.925 nan 8.190 nan 0.000 0.479 481 E N 4.138 124.353 120.200 0.026 0.000 2.359 481 E HA 0.338 4.688 4.350 -0.000 0.000 0.266 481 E C -1.182 175.429 176.600 0.018 0.000 0.920 481 E CA -0.910 55.503 56.400 0.022 0.000 0.788 481 E CB 1.598 31.316 29.700 0.029 0.000 1.279 481 E HN 0.702 nan 8.360 nan 0.000 0.438 482 D N 2.059 122.464 120.400 0.009 0.000 2.339 482 D HA 0.027 4.667 4.640 -0.000 0.000 0.256 482 D C 0.720 177.028 176.300 0.013 0.000 1.214 482 D CA 0.098 54.099 54.000 0.003 0.000 0.877 482 D CB 0.850 41.646 40.800 -0.007 0.000 1.111 482 D HN 0.357 nan 8.370 nan 0.000 0.478 483 M N 2.624 122.235 119.600 0.019 0.000 2.394 483 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 483 M C 2.158 178.469 176.300 0.019 0.000 1.073 483 M CA 0.354 55.669 55.300 0.026 0.000 1.111 483 M CB -0.654 31.966 32.600 0.034 0.000 1.401 483 M HN 0.511 nan 8.290 nan 0.000 0.448 484 C N 0.693 120.000 119.300 0.012 0.000 2.440 484 C HA -0.114 4.346 4.460 -0.000 0.000 0.278 484 C C 2.482 177.476 174.990 0.006 0.000 1.295 484 C CA 0.860 59.883 59.018 0.008 0.000 1.738 484 C CB -0.751 26.991 27.740 0.003 0.000 1.987 484 C HN 0.557 nan 8.230 nan 0.000 0.492 485 E N 0.477 120.681 120.200 0.005 0.000 2.299 485 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 485 E C 1.515 178.119 176.600 0.007 0.000 0.998 485 E CA 0.534 56.937 56.400 0.004 0.000 0.851 485 E CB -0.085 29.616 29.700 0.002 0.000 0.795 485 E HN 0.580 nan 8.360 nan 0.000 0.492 486 N N -0.060 118.647 118.700 0.012 0.000 2.300 486 N HA -0.028 4.712 4.740 -0.000 0.000 0.179 486 N C 1.071 176.588 175.510 0.013 0.000 1.016 486 N CA 1.229 54.289 53.050 0.016 0.000 0.876 486 N CB 0.441 38.946 38.487 0.030 0.000 0.979 486 N HN 0.262 nan 8.380 nan 0.000 0.432 487 G N -1.112 107.696 108.800 0.013 0.000 2.134 487 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.209 487 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.209 487 G C -0.484 174.427 174.900 0.018 0.000 0.993 487 G CA 0.033 45.139 45.100 0.011 0.000 0.669 487 G HN 0.148 nan 8.290 nan 0.000 0.519 488 V N 1.665 121.594 119.914 0.026 0.000 2.284 488 V HA 0.567 4.687 4.120 -0.000 0.000 0.260 488 V C 0.624 176.734 176.094 0.026 0.000 1.084 488 V CA -0.103 62.216 62.300 0.033 0.000 0.894 488 V CB 0.832 32.682 31.823 0.046 0.000 1.119 488 V HN 1.051 nan 8.190 nan 0.000 0.484 489 V N 1.589 121.515 119.914 0.021 0.000 2.789 489 V HA 0.768 4.888 4.120 -0.000 0.000 0.311 489 V C -0.695 175.408 176.094 0.015 0.000 1.073 489 V CA -0.819 61.491 62.300 0.017 0.000 0.921 489 V CB 2.210 34.041 31.823 0.013 0.000 1.009 489 V HN 0.694 nan 8.190 nan 0.000 0.426 490 E N 3.700 123.909 120.200 0.014 0.000 2.288 490 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 490 E C -2.909 173.697 176.600 0.009 0.000 0.885 490 E CA -2.233 54.174 56.400 0.011 0.000 0.767 490 E CB 2.775 32.481 29.700 0.011 0.000 1.220 490 E HN 0.544 nan 8.360 nan 0.000 0.427 491 P HA -0.055 nan 4.420 nan 0.000 0.269 491 P C 0.322 177.625 177.300 0.006 0.000 1.215 491 P CA -0.221 62.883 63.100 0.006 0.000 0.780 491 P CB 0.575 32.278 31.700 0.005 0.000 0.898 492 L N 2.900 124.126 121.223 0.005 0.000 2.201 492 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 492 L C 2.190 179.063 176.870 0.004 0.000 1.105 492 L CA 1.713 56.555 54.840 0.005 0.000 0.775 492 L CB -0.708 41.353 42.059 0.004 0.000 0.913 492 L HN 0.280 nan 8.230 nan 0.000 0.440 493 R N -1.245 119.258 120.500 0.004 0.000 2.148 493 R HA -0.082 4.258 4.340 -0.000 0.000 0.227 493 R C 1.944 178.247 176.300 0.005 0.000 1.103 493 R CA 1.259 57.362 56.100 0.004 0.000 0.983 493 R CB -0.056 30.246 30.300 0.004 0.000 0.874 493 R HN 0.362 nan 8.270 nan 0.000 0.451 494 V N 1.003 120.920 119.914 0.004 0.000 2.515 494 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 494 V C 2.101 178.197 176.094 0.003 0.000 1.058 494 V CA 1.578 63.880 62.300 0.004 0.000 1.064 494 V CB -0.264 31.561 31.823 0.004 0.000 0.675 494 V HN 0.219 nan 8.190 nan 0.000 0.461 495 K N 0.291 120.693 120.400 0.003 0.000 2.202 495 K HA 0.027 4.347 4.320 -0.000 0.000 0.201 495 K C 2.342 178.946 176.600 0.006 0.000 1.051 495 K CA 1.492 57.781 56.287 0.002 0.000 0.977 495 K CB -0.651 31.850 32.500 0.002 0.000 0.792 495 K HN 0.667 nan 8.250 nan 0.000 0.469 496 T N -0.330 114.229 114.554 0.008 0.000 2.857 496 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 496 T C 2.072 176.781 174.700 0.015 0.000 1.048 496 T CA 1.176 63.283 62.100 0.011 0.000 1.139 496 T CB -0.077 68.795 68.868 0.007 0.000 0.874 496 T HN 0.023 nan 8.240 nan 0.000 0.455 497 Q N 1.964 121.771 119.800 0.012 0.000 2.083 497 Q HA 0.221 4.561 4.340 -0.000 0.000 0.198 497 Q C 2.426 178.436 176.000 0.016 0.000 0.969 497 Q CA 1.714 57.526 55.803 0.014 0.000 0.838 497 Q CB -0.933 27.811 28.738 0.010 0.000 0.900 497 Q HN 0.605 nan 8.270 nan 0.000 0.436 498 A N 0.140 122.966 122.820 0.011 0.000 1.933 498 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 498 A C 2.088 179.679 177.584 0.012 0.000 1.175 498 A CA 1.458 53.499 52.037 0.007 0.000 0.628 498 A CB -0.645 18.354 19.000 -0.002 0.000 0.814 498 A HN 0.491 nan 8.150 nan 0.000 0.444 499 I N -1.374 119.209 120.570 0.021 0.000 2.233 499 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 499 I C 2.706 178.869 176.117 0.078 0.000 1.093 499 I CA 1.524 62.850 61.300 0.044 0.000 1.380 499 I CB -0.199 37.837 38.000 0.060 0.000 1.067 499 I HN 0.319 nan 8.210 nan 0.000 0.413 500 Q N 0.905 120.742 119.800 0.062 0.000 2.119 500 Q HA -0.161 4.179 4.340 -0.000 0.000 0.201 500 Q C 2.318 178.354 176.000 0.059 0.000 0.972 500 Q CA 2.119 57.960 55.803 0.064 0.000 0.847 500 Q CB -0.168 28.595 28.738 0.041 0.000 0.903 500 Q HN 0.573 nan 8.270 nan 0.000 0.433 501 S N -1.073 114.653 115.700 0.044 0.000 2.406 501 S HA 0.024 4.494 4.470 -0.000 0.000 0.228 501 S C 1.997 176.623 174.600 0.043 0.000 1.020 501 S CA 0.722 58.944 58.200 0.037 0.000 0.965 501 S CB -0.322 62.893 63.200 0.024 0.000 0.798 501 S HN 0.393 nan 8.310 nan 0.000 0.488 502 A N 1.677 124.525 122.820 0.045 0.000 1.975 502 A HA 0.576 4.896 4.320 -0.000 0.000 0.215 502 A C 2.432 180.070 177.584 0.089 0.000 1.170 502 A CA 1.112 53.176 52.037 0.045 0.000 0.656 502 A CB -1.189 17.819 19.000 0.012 0.000 0.821 502 A HN 0.733 nan 8.150 nan 0.000 0.449 503 A N 0.110 123.012 122.820 0.135 0.000 1.873 503 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 503 A C 1.890 179.579 177.584 0.175 0.000 1.186 503 A CA 1.543 53.720 52.037 0.233 0.000 0.616 503 A CB -0.506 18.672 19.000 0.296 0.000 0.823 503 A HN 0.575 nan 8.150 nan 0.000 0.442 504 E N 0.278 120.546 120.200 0.114 0.000 2.150 504 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 504 E C 2.353 178.993 176.600 0.067 0.000 0.985 504 E CA 1.337 57.786 56.400 0.081 0.000 0.814 504 E CB -0.127 29.608 29.700 0.058 0.000 0.752 504 E HN 0.812 nan 8.360 nan 0.000 0.466 505 S N 0.434 116.173 115.700 0.064 0.000 2.377 505 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 505 S C 2.293 176.923 174.600 0.049 0.000 1.030 505 S CA 1.440 59.669 58.200 0.048 0.000 0.970 505 S CB -0.721 62.502 63.200 0.039 0.000 0.830 505 S HN 0.310 nan 8.310 nan 0.000 0.473 506 T N 0.288 114.885 114.554 0.072 0.000 2.904 506 T HA 0.068 4.418 4.350 -0.000 0.000 0.267 506 T C 1.638 176.362 174.700 0.041 0.000 1.059 506 T CA 1.099 63.238 62.100 0.066 0.000 1.137 506 T CB -0.527 68.415 68.868 0.123 0.000 0.879 506 T HN 0.519 nan 8.240 nan 0.000 0.467 507 E N 0.537 120.781 120.200 0.073 0.000 2.106 507 E HA -0.010 4.340 4.350 -0.000 0.000 0.192 507 E C 2.104 178.711 176.600 0.012 0.000 0.984 507 E CA 0.980 57.404 56.400 0.040 0.000 0.806 507 E CB -0.226 29.520 29.700 0.078 0.000 0.750 507 E HN 0.497 nan 8.360 nan 0.000 0.458 508 M N 0.407 120.020 119.600 0.022 0.000 2.200 508 M HA -0.094 4.386 4.480 -0.000 0.000 0.265 508 M C 1.929 178.231 176.300 0.004 0.000 1.066 508 M CA 1.105 56.414 55.300 0.014 0.000 1.127 508 M CB 0.190 32.803 32.600 0.021 0.000 1.379 508 M HN 0.097 nan 8.290 nan 0.000 0.420 509 L N -0.021 121.203 121.223 0.002 0.000 2.156 509 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 509 L C 1.881 178.735 176.870 -0.027 0.000 1.095 509 L CA 0.718 55.554 54.840 -0.006 0.000 0.770 509 L CB -0.309 41.749 42.059 -0.002 0.000 0.914 509 L HN 0.328 nan 8.230 nan 0.000 0.439 510 L N -0.625 120.570 121.223 -0.048 0.000 2.599 510 L HA -0.021 4.319 4.340 -0.000 0.000 0.230 510 L C 1.565 178.393 176.870 -0.069 0.000 1.141 510 L CA 0.391 55.182 54.840 -0.081 0.000 0.877 510 L CB -0.159 41.817 42.059 -0.139 0.000 1.009 510 L HN 0.137 nan 8.230 nan 0.000 0.447 511 R N -0.178 120.299 120.500 -0.038 0.000 2.552 511 R HA 0.345 4.685 4.340 -0.000 0.000 0.314 511 R C -0.401 175.892 176.300 -0.013 0.000 1.041 511 R CA -0.088 55.998 56.100 -0.024 0.000 1.076 511 R CB 0.397 30.693 30.300 -0.007 0.000 1.290 511 R HN 0.199 nan 8.270 nan 0.000 0.563 512 I N 1.076 121.637 120.570 -0.016 0.000 2.406 512 I HA 0.136 4.306 4.170 -0.000 0.000 0.290 512 I C 0.380 176.494 176.117 -0.004 0.000 0.999 512 I CA -0.347 60.953 61.300 -0.001 0.000 1.124 512 I CB 1.784 39.789 38.000 0.009 0.000 1.289 512 I HN 0.100 nan 8.210 nan 0.000 0.441 513 D N 2.976 123.380 120.400 0.006 0.000 2.502 513 D HA 0.079 4.719 4.640 -0.000 0.000 0.232 513 D C -0.091 176.228 176.300 0.032 0.000 1.137 513 D CA 0.110 54.116 54.000 0.010 0.000 0.827 513 D CB 1.129 41.930 40.800 0.003 0.000 1.141 513 D HN 0.385 nan 8.370 nan 0.000 0.517 514 D N 0.798 121.220 120.400 0.036 0.000 2.896 514 D HA 0.319 4.959 4.640 -0.000 0.000 0.241 514 D C -1.249 175.083 176.300 0.053 0.000 1.188 514 D CA -0.513 53.515 54.000 0.047 0.000 0.879 514 D CB 3.214 44.032 40.800 0.029 0.000 1.553 514 D HN -0.243 nan 8.370 nan 0.000 0.515 515 V N 4.890 124.851 119.914 0.080 0.000 2.409 515 V HA 0.460 4.580 4.120 -0.000 0.000 0.291 515 V C 0.226 176.341 176.094 0.035 0.000 1.020 515 V CA -0.653 61.695 62.300 0.081 0.000 0.848 515 V CB 1.555 33.478 31.823 0.166 0.000 0.990 515 V HN 0.420 nan 8.190 nan 0.000 0.430 516 I N 4.391 124.969 120.570 0.013 0.000 2.359 516 I HA 0.694 4.864 4.170 -0.000 0.000 0.284 516 I C 0.266 176.373 176.117 -0.017 0.000 1.018 516 I CA -0.338 60.955 61.300 -0.012 0.000 1.173 516 I CB 1.521 39.515 38.000 -0.010 0.000 1.326 516 I HN 0.663 nan 8.210 nan 0.000 0.462 517 A N 5.524 128.324 122.820 -0.033 0.000 2.409 517 A HA 0.852 5.172 4.320 -0.000 0.000 0.300 517 A C 0.056 177.615 177.584 -0.041 0.000 1.273 517 A CA -0.449 51.566 52.037 -0.035 0.000 0.774 517 A CB 0.748 19.725 19.000 -0.038 0.000 1.144 517 A HN 0.735 nan 8.150 nan 0.000 0.472 518 A N 1.598 124.400 122.820 -0.031 0.000 2.259 518 A HA 0.728 5.048 4.320 -0.000 0.000 0.278 518 A C 0.618 178.187 177.584 -0.026 0.000 1.107 518 A CA 0.534 52.554 52.037 -0.029 0.000 0.828 518 A CB 0.083 19.070 19.000 -0.022 0.000 1.111 518 A HN 1.413 nan 8.150 nan 0.000 0.498 519 E N 0.000 120.186 120.200 -0.023 0.000 2.725 519 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 519 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 519 E CB 0.000 29.691 29.700 -0.015 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440