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 2vvl_1_D DATA FIRST_RESID 1 DATA SEQUENCE MTSRDGYQWT PETGLTQGVP SLGVISPPTN IEXXXXXXPW DVIVIGGGYC DATA SEQUENCE GLTATRDLTV AGFKTLLLEA RDRIGGRSWS SNIDGYPYEM GGTWVHWHQS DATA SEQUENCE HVWREITRYK MHNALSPSFN FSRGVNHFQL RTNPTTSTYM THEAEDELLR DATA SEQUENCE SALHKFTNVD GTNGRTVLPF PHDMFYVPEF RKYDEMSYSE RIDQIRDELS DATA SEQUENCE LNERSSLEAF ILLCSGGTLE NSSFGEFLHW WAMSGYTYQG CMDCLMSYKF DATA SEQUENCE KDGQSAFARR FWEEAAGTGR LGYVFGCPVR SVVNERDAAR VTARDGREFV DATA SEQUENCE AKRVVCTIPL NVLSTIQFSP ALSTERISAM QAGHVSMCTK VHAEVDNKDM DATA SEQUENCE RSWTGIAYPF NKLCYAIGDG TTPAGNTHLV CFGTDANHIQ PDEDVRETLK DATA SEQUENCE AVGQLAPGTF GVKRLVFHNW VKDEFAKGAW FFSRPGMVSE CLQGLREKHG DATA SEQUENCE GVVFANSDWA LGWRSFIDGA IEEGTRAARV VLEE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.265 176.300 -0.059 0.000 1.140 1 M CA 0.000 55.257 55.300 -0.071 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 2 T N 0.770 115.288 114.554 -0.060 0.000 2.767 2 T HA 0.610 4.960 4.350 0.000 0.000 0.288 2 T C -0.275 174.380 174.700 -0.076 0.000 0.963 2 T CA -0.141 61.930 62.100 -0.048 0.000 1.019 2 T CB 1.525 70.369 68.868 -0.039 0.000 0.923 2 T HN 0.258 nan 8.240 nan 0.000 0.468 3 S N 1.485 117.143 115.700 -0.070 0.000 2.672 3 S HA 0.334 4.804 4.470 0.000 0.000 0.276 3 S C 1.264 175.800 174.600 -0.107 0.000 1.207 3 S CA -0.878 57.241 58.200 -0.136 0.000 1.002 3 S CB 0.679 63.736 63.200 -0.239 0.000 0.998 3 S HN 0.541 nan 8.310 nan 0.000 0.542 4 R N 1.384 121.807 120.500 -0.129 0.000 2.240 4 R HA 0.081 4.421 4.340 0.000 0.000 0.203 4 R C 0.835 177.075 176.300 -0.099 0.000 1.011 4 R CA 0.609 56.649 56.100 -0.099 0.000 1.007 4 R CB -0.724 29.534 30.300 -0.070 0.000 0.911 4 R HN 0.631 nan 8.270 nan 0.000 0.468 5 D N 0.048 120.378 120.400 -0.116 0.000 2.224 5 D HA -0.024 4.616 4.640 0.000 0.000 0.205 5 D C 1.163 177.633 176.300 0.283 0.000 0.965 5 D CA 0.934 54.934 54.000 0.000 0.000 0.852 5 D CB -0.011 40.545 40.800 -0.407 0.000 0.947 5 D HN 0.203 nan 8.370 nan 0.000 0.494 6 G N -1.549 107.415 108.800 0.273 0.000 2.531 6 G HA2 0.428 4.388 3.960 0.000 0.000 0.281 6 G HA3 0.428 4.388 3.960 0.000 0.000 0.281 6 G C -1.077 173.719 174.900 -0.173 0.000 1.382 6 G CA -0.295 44.962 45.100 0.261 0.000 1.045 6 G HN 0.034 nan 8.290 nan 0.000 0.533 7 Y N -1.430 118.758 120.300 -0.186 0.000 2.534 7 Y HA 0.533 5.083 4.550 -0.000 0.000 0.345 7 Y C 0.026 175.646 175.900 -0.467 0.000 1.031 7 Y CA -0.664 57.190 58.100 -0.410 0.000 1.022 7 Y CB 2.634 40.574 38.460 -0.866 0.000 1.292 7 Y HN 0.567 nan 8.280 nan 0.000 0.459 8 Q N 1.913 121.637 119.800 -0.128 0.000 2.421 8 Q HA 0.472 4.812 4.340 0.000 0.000 0.280 8 Q C -2.184 173.861 176.000 0.074 0.000 1.085 8 Q CA -0.851 54.891 55.803 -0.101 0.000 0.807 8 Q CB 2.735 31.411 28.738 -0.103 0.000 1.405 8 Q HN 0.777 nan 8.270 nan 0.000 0.419 9 W N 2.595 123.849 121.300 -0.076 0.000 2.998 9 W HA 0.603 5.263 4.660 -0.000 0.000 0.335 9 W C -1.508 175.010 176.519 -0.001 0.000 1.110 9 W CA -0.304 57.040 57.345 -0.002 0.000 1.230 9 W CB 1.935 31.433 29.460 0.063 0.000 1.405 9 W HN 0.679 nan 8.180 nan 0.000 0.493 10 T N 2.400 116.439 114.554 -0.859 0.000 2.896 10 T HA 0.474 4.824 4.350 0.000 0.000 0.297 10 T C -2.416 171.254 174.700 -1.716 0.000 1.108 10 T CA -1.820 59.665 62.100 -1.025 0.000 1.004 10 T CB 2.373 70.962 68.868 -0.465 0.000 1.159 10 T HN 0.241 nan 8.240 nan 0.000 0.499 11 P HA -0.004 nan 4.420 nan 0.000 0.221 11 P C 0.704 177.756 177.300 -0.413 0.000 1.150 11 P CA 1.031 63.631 63.100 -0.833 0.000 0.800 11 P CB 0.147 31.684 31.700 -0.271 0.000 0.787 12 E N -0.547 119.428 120.200 -0.374 0.000 2.190 12 E HA -0.057 4.293 4.350 0.000 0.000 0.191 12 E C 1.840 178.320 176.600 -0.200 0.000 0.978 12 E CA 1.461 57.731 56.400 -0.216 0.000 0.839 12 E CB -1.177 28.427 29.700 -0.159 0.000 0.787 12 E HN 0.317 nan 8.360 nan 0.000 0.473 13 T N -2.533 111.854 114.554 -0.277 0.000 3.023 13 T HA 0.417 4.767 4.350 0.000 0.000 0.253 13 T C 1.280 175.876 174.700 -0.173 0.000 1.038 13 T CA 0.188 62.173 62.100 -0.191 0.000 0.962 13 T CB -0.063 68.708 68.868 -0.162 0.000 1.018 13 T HN 0.258 nan 8.240 nan 0.000 0.521 14 G N 1.855 110.479 108.800 -0.293 0.000 2.574 14 G HA2 -0.197 3.763 3.960 0.000 0.000 0.282 14 G HA3 -0.197 3.763 3.960 0.000 0.000 0.282 14 G C -0.461 174.422 174.900 -0.028 0.000 1.257 14 G CA 0.027 45.046 45.100 -0.135 0.000 0.956 14 G HN 0.933 nan 8.290 nan 0.000 0.560 15 L N 0.630 122.007 121.223 0.256 0.000 2.275 15 L HA 0.764 5.104 4.340 0.000 0.000 0.288 15 L C 0.406 177.383 176.870 0.179 0.000 1.046 15 L CA 0.166 55.202 54.840 0.325 0.000 0.805 15 L CB 1.704 43.997 42.059 0.389 0.000 1.193 15 L HN 0.776 nan 8.230 nan 0.000 0.426 16 T N 4.571 119.205 114.554 0.134 0.000 2.876 16 T HA 0.389 4.739 4.350 0.000 0.000 0.289 16 T C -1.069 173.638 174.700 0.012 0.000 1.014 16 T CA -0.377 61.752 62.100 0.048 0.000 0.986 16 T CB 1.595 70.458 68.868 -0.009 0.000 1.021 16 T HN 0.688 nan 8.240 nan 0.000 0.458 17 Q N 1.224 120.971 119.800 -0.088 0.000 2.274 17 Q HA 0.586 4.926 4.340 0.000 0.000 0.260 17 Q C -0.134 175.720 176.000 -0.243 0.000 0.974 17 Q CA -0.236 55.345 55.803 -0.370 0.000 0.876 17 Q CB 1.251 29.714 28.738 -0.458 0.000 1.297 17 Q HN 1.052 nan 8.270 nan 0.000 0.446 18 G N 0.889 109.542 108.800 -0.245 0.000 3.307 18 G HA2 -0.020 3.940 3.960 0.000 0.000 0.686 18 G HA3 -0.020 3.940 3.960 0.000 0.000 0.686 18 G C -0.863 174.005 174.900 -0.052 0.000 0.983 18 G CA -0.281 44.753 45.100 -0.111 0.000 0.804 18 G HN 1.144 nan 8.290 nan 0.000 0.531 19 V N 0.660 120.590 119.914 0.026 0.000 3.040 19 V HA 0.988 5.108 4.120 0.000 0.000 0.312 19 V C -2.492 173.657 176.094 0.091 0.000 1.115 19 V CA -2.732 59.595 62.300 0.045 0.000 0.998 19 V CB 2.295 34.141 31.823 0.038 0.000 1.042 19 V HN 0.630 nan 8.190 nan 0.000 0.433 20 P HA 0.467 nan 4.420 nan 0.000 0.272 20 P C -0.685 176.687 177.300 0.120 0.000 1.223 20 P CA 0.170 63.304 63.100 0.057 0.000 0.784 20 P CB 0.979 32.695 31.700 0.027 0.000 0.923 21 S N 0.953 116.704 115.700 0.085 0.000 2.563 21 S HA 0.240 4.710 4.470 0.000 0.000 0.279 21 S C 0.640 175.242 174.600 0.003 0.000 1.155 21 S CA -0.567 57.702 58.200 0.115 0.000 0.928 21 S CB 0.308 63.690 63.200 0.304 0.000 1.107 21 S HN 0.240 nan 8.310 nan 0.000 0.462 22 L N 3.712 124.931 121.223 -0.007 0.000 2.353 22 L HA 0.075 4.415 4.340 0.000 0.000 0.220 22 L C 2.548 179.340 176.870 -0.131 0.000 1.133 22 L CA 1.434 56.235 54.840 -0.065 0.000 0.798 22 L CB -0.430 41.598 42.059 -0.052 0.000 0.922 22 L HN 0.859 nan 8.230 nan 0.000 0.445 23 G N -0.445 108.287 108.800 -0.113 0.000 2.509 23 G HA2 -0.079 3.881 3.960 0.000 0.000 0.218 23 G HA3 -0.079 3.881 3.960 0.000 0.000 0.218 23 G C 0.750 175.406 174.900 -0.407 0.000 1.124 23 G CA -0.079 44.880 45.100 -0.234 0.000 0.776 23 G HN 0.128 nan 8.290 nan 0.000 0.547 24 V N 2.544 122.250 119.914 -0.347 0.000 2.521 24 V HA 0.140 4.260 4.120 0.000 0.000 0.286 24 V C 0.091 175.885 176.094 -0.499 0.000 1.034 24 V CA -0.303 61.740 62.300 -0.429 0.000 1.045 24 V CB 1.264 32.920 31.823 -0.279 0.000 0.974 24 V HN 0.104 nan 8.190 nan 0.000 0.480 25 I N 5.562 125.686 120.570 -0.743 0.000 2.307 25 I HA 0.340 4.510 4.170 0.000 0.000 0.289 25 I C 0.330 176.209 176.117 -0.397 0.000 1.021 25 I CA 0.297 61.155 61.300 -0.737 0.000 1.224 25 I CB 1.246 38.428 38.000 -1.363 0.000 1.376 25 I HN 0.712 nan 8.210 nan 0.000 0.470 26 S N 8.572 124.156 115.700 -0.193 0.000 2.532 26 S HA 0.783 5.253 4.470 0.000 0.000 0.299 26 S C -2.290 172.337 174.600 0.044 0.000 1.105 26 S CA -0.928 57.239 58.200 -0.056 0.000 1.018 26 S CB 2.147 65.309 63.200 -0.062 0.000 1.021 26 S HN 0.482 nan 8.310 nan 0.000 0.483 27 P HA 0.408 nan 4.420 nan 0.000 0.276 27 P C -2.221 175.222 177.300 0.238 0.000 1.252 27 P CA -1.545 61.634 63.100 0.132 0.000 0.802 27 P CB 0.324 32.103 31.700 0.131 0.000 1.035 28 P HA -0.007 nan 4.420 nan 0.000 0.236 28 P C 0.247 177.807 177.300 0.434 0.000 1.177 28 P CA 0.942 64.216 63.100 0.291 0.000 0.773 28 P CB 0.175 31.965 31.700 0.151 0.000 0.878 29 T N -2.381 112.287 114.554 0.189 0.000 2.883 29 T HA 0.408 4.758 4.350 0.000 0.000 0.296 29 T C 0.311 174.779 174.700 -0.386 0.000 1.117 29 T CA -0.722 61.285 62.100 -0.154 0.000 1.006 29 T CB 1.334 70.160 68.868 -0.071 0.000 1.191 29 T HN -0.087 nan 8.240 nan 0.000 0.508 30 N N -0.347 117.953 118.700 -0.667 0.000 2.160 30 N HA 0.157 4.897 4.740 0.000 0.000 0.226 30 N C -0.675 174.749 175.510 -0.143 0.000 1.256 30 N CA -0.404 52.429 53.050 -0.363 0.000 0.890 30 N CB -0.000 38.245 38.487 -0.403 0.000 1.116 30 N HN 0.665 nan 8.380 nan 0.000 0.517 31 I N 1.706 122.217 120.570 -0.099 0.000 2.287 31 I HA 0.243 4.413 4.170 0.000 0.000 0.290 31 I C 0.056 176.206 176.117 0.055 0.000 1.069 31 I CA -0.212 61.119 61.300 0.053 0.000 1.237 31 I CB 0.595 38.674 38.000 0.130 0.000 1.418 31 I HN -0.076 nan 8.210 nan 0.000 0.481 40 W N 1.214 122.548 121.300 0.057 0.000 2.529 40 W HA 0.351 5.011 4.660 0.000 0.000 0.321 40 W C 0.985 177.543 176.519 0.066 0.000 1.047 40 W CA -0.471 56.910 57.345 0.059 0.000 1.216 40 W CB 1.557 31.050 29.460 0.055 0.000 1.357 40 W HN 0.273 nan 8.180 nan 0.000 0.489 41 D N 1.275 121.868 120.400 0.321 0.000 2.097 41 D HA -0.069 4.571 4.640 0.000 0.000 0.197 41 D C 0.288 176.692 176.300 0.174 0.000 0.984 41 D CA 1.397 55.550 54.000 0.255 0.000 0.826 41 D CB 0.156 41.184 40.800 0.380 0.000 0.973 41 D HN 0.032 nan 8.370 nan 0.000 0.460 42 V N 0.734 120.751 119.914 0.172 0.000 2.888 42 V HA 0.368 4.488 4.120 0.000 0.000 0.309 42 V C -0.310 175.791 176.094 0.012 0.000 1.114 42 V CA -0.812 61.517 62.300 0.048 0.000 0.940 42 V CB 2.750 34.547 31.823 -0.043 0.000 1.021 42 V HN -0.132 nan 8.190 nan 0.000 0.426 43 I N 3.215 123.759 120.570 -0.044 0.000 2.354 43 I HA 0.480 4.650 4.170 0.000 0.000 0.292 43 I C -0.538 175.504 176.117 -0.126 0.000 0.989 43 I CA -0.731 60.484 61.300 -0.140 0.000 1.188 43 I CB 1.934 39.851 38.000 -0.137 0.000 1.342 43 I HN 0.318 nan 8.210 nan 0.000 0.457 44 V N 7.671 127.491 119.914 -0.156 0.000 2.347 44 V HA 0.380 4.500 4.120 0.000 0.000 0.280 44 V C 0.190 176.192 176.094 -0.153 0.000 1.021 44 V CA -0.487 61.738 62.300 -0.124 0.000 0.847 44 V CB 1.340 33.106 31.823 -0.095 0.000 0.990 44 V HN 0.459 nan 8.190 nan 0.000 0.444 45 I N 4.803 125.305 120.570 -0.114 0.000 2.325 45 I HA 0.657 4.827 4.170 0.000 0.000 0.291 45 I C 0.831 176.894 176.117 -0.091 0.000 1.019 45 I CA 0.135 61.367 61.300 -0.114 0.000 1.302 45 I CB 1.003 38.971 38.000 -0.053 0.000 1.401 45 I HN 0.861 nan 8.210 nan 0.000 0.485 46 G N 3.813 112.528 108.800 -0.141 0.000 3.209 46 G HA2 -0.032 3.928 3.960 0.000 0.000 0.686 46 G HA3 -0.032 3.928 3.960 0.000 0.000 0.686 46 G C 0.055 174.874 174.900 -0.134 0.000 1.065 46 G CA -0.468 44.557 45.100 -0.125 0.000 0.812 46 G HN 1.043 nan 8.290 nan 0.000 0.573 47 G N 0.990 109.696 108.800 -0.157 0.000 3.959 47 G HA2 0.676 4.636 3.960 0.000 0.000 0.298 47 G HA3 0.676 4.636 3.960 0.000 0.000 0.298 47 G C 0.957 175.757 174.900 -0.168 0.000 1.211 47 G CA 0.946 45.965 45.100 -0.135 0.000 1.001 47 G HN 1.347 nan 8.290 nan 0.000 0.561 48 G N -0.581 108.132 108.800 -0.145 0.000 2.570 48 G HA2 0.254 4.214 3.960 0.000 0.000 0.276 48 G HA3 0.254 4.214 3.960 0.000 0.000 0.276 48 G C 0.606 175.351 174.900 -0.260 0.000 1.346 48 G CA -0.483 44.511 45.100 -0.176 0.000 1.034 48 G HN 0.194 nan 8.290 nan 0.000 0.512 49 Y N -1.300 118.911 120.300 -0.150 0.000 2.333 49 Y HA -0.094 4.456 4.550 0.000 0.000 0.290 49 Y C 2.850 178.602 175.900 -0.248 0.000 1.144 49 Y CA 0.975 58.898 58.100 -0.295 0.000 1.228 49 Y CB -0.527 37.809 38.460 -0.206 0.000 0.985 49 Y HN 0.432 nan 8.280 nan 0.000 0.542 50 C N -0.226 119.064 119.300 -0.017 0.000 2.496 50 C HA -0.086 4.374 4.460 0.000 0.000 0.281 50 C C 3.097 178.057 174.990 -0.050 0.000 1.250 50 C CA 1.693 60.689 59.018 -0.036 0.000 1.717 50 C CB -1.308 26.398 27.740 -0.056 0.000 2.082 50 C HN 0.672 nan 8.230 nan 0.000 0.472 51 G N 0.323 109.086 108.800 -0.063 0.000 2.469 51 G HA2 -0.179 3.781 3.960 0.000 0.000 0.220 51 G HA3 -0.179 3.781 3.960 0.000 0.000 0.220 51 G C 1.600 176.471 174.900 -0.047 0.000 1.136 51 G CA 1.132 46.198 45.100 -0.056 0.000 0.759 51 G HN 0.620 nan 8.290 nan 0.000 0.562 52 L N 0.305 121.465 121.223 -0.105 0.000 2.093 52 L HA -0.058 4.282 4.340 0.000 0.000 0.208 52 L C 3.169 180.044 176.870 0.008 0.000 1.085 52 L CA 1.486 56.278 54.840 -0.081 0.000 0.755 52 L CB -0.656 41.216 42.059 -0.311 0.000 0.904 52 L HN 0.163 nan 8.230 nan 0.000 0.435 53 T N -0.163 114.364 114.554 -0.045 0.000 2.737 53 T HA -0.107 4.243 4.350 0.000 0.000 0.265 53 T C 2.039 176.810 174.700 0.119 0.000 1.038 53 T CA 1.235 63.412 62.100 0.129 0.000 1.144 53 T CB -0.234 68.704 68.868 0.117 0.000 0.866 53 T HN 0.410 nan 8.240 nan 0.000 0.434 54 A N 1.198 124.051 122.820 0.055 0.000 1.933 54 A HA -0.112 4.208 4.320 0.000 0.000 0.218 54 A C 2.521 180.131 177.584 0.044 0.000 1.175 54 A CA 1.959 54.020 52.037 0.041 0.000 0.628 54 A CB -1.130 17.875 19.000 0.009 0.000 0.814 54 A HN 0.458 nan 8.150 nan 0.000 0.444 55 T N -1.045 113.535 114.554 0.043 0.000 2.812 55 T HA -0.074 4.276 4.350 0.000 0.000 0.264 55 T C 2.171 176.910 174.700 0.065 0.000 1.042 55 T CA 1.082 63.203 62.100 0.036 0.000 1.140 55 T CB -0.211 68.667 68.868 0.016 0.000 0.870 55 T HN 0.384 nan 8.240 nan 0.000 0.445 56 R N 1.420 121.989 120.500 0.115 0.000 2.073 56 R HA -0.117 4.223 4.340 0.000 0.000 0.234 56 R C 1.715 178.088 176.300 0.122 0.000 1.134 56 R CA 1.761 57.947 56.100 0.143 0.000 0.952 56 R CB -0.753 29.715 30.300 0.280 0.000 0.850 56 R HN 0.307 nan 8.270 nan 0.000 0.433 57 D N 0.575 121.052 120.400 0.128 0.000 2.084 57 D HA -0.121 4.519 4.640 0.000 0.000 0.194 57 D C 2.123 178.503 176.300 0.134 0.000 0.990 57 D CA 1.103 55.173 54.000 0.116 0.000 0.826 57 D CB -0.310 40.555 40.800 0.109 0.000 0.971 57 D HN 0.197 nan 8.370 nan 0.000 0.453 58 L N 0.620 121.921 121.223 0.130 0.000 2.042 58 L HA -0.179 4.161 4.340 0.000 0.000 0.210 58 L C 2.635 179.663 176.870 0.262 0.000 1.076 58 L CA 1.731 56.693 54.840 0.203 0.000 0.749 58 L CB -0.920 41.191 42.059 0.086 0.000 0.893 58 L HN 0.188 nan 8.230 nan 0.000 0.432 59 T N -3.660 110.987 114.554 0.154 0.000 2.857 59 T HA -0.091 4.259 4.350 0.000 0.000 0.266 59 T C 1.789 176.538 174.700 0.082 0.000 1.048 59 T CA 0.977 63.146 62.100 0.116 0.000 1.139 59 T CB -0.665 68.237 68.868 0.057 0.000 0.874 59 T HN 0.084 nan 8.240 nan 0.000 0.455 60 V N 1.867 121.829 119.914 0.078 0.000 2.626 60 V HA 0.070 4.190 4.120 0.000 0.000 0.252 60 V C 2.899 179.024 176.094 0.053 0.000 1.067 60 V CA 1.410 63.742 62.300 0.054 0.000 1.081 60 V CB -1.066 30.788 31.823 0.052 0.000 0.686 60 V HN 0.710 nan 8.190 nan 0.000 0.468 61 A N -0.803 122.077 122.820 0.099 0.000 2.307 61 A HA 0.470 4.790 4.320 0.000 0.000 0.218 61 A C 1.822 179.373 177.584 -0.056 0.000 1.228 61 A CA 0.857 52.945 52.037 0.084 0.000 0.857 61 A CB -0.329 18.802 19.000 0.218 0.000 0.897 61 A HN 1.069 nan 8.150 nan 0.000 0.495 62 G N -1.824 106.942 108.800 -0.057 0.000 2.176 62 G HA2 -0.229 3.731 3.960 0.000 0.000 0.232 62 G HA3 -0.229 3.731 3.960 0.000 0.000 0.232 62 G C -0.090 174.667 174.900 -0.237 0.000 0.986 62 G CA -0.024 44.971 45.100 -0.175 0.000 0.643 62 G HN 0.314 nan 8.290 nan 0.000 0.522 63 F N 1.973 121.945 119.950 0.038 0.000 2.410 63 F HA 0.485 5.012 4.527 0.000 0.000 0.348 63 F C 1.060 176.908 175.800 0.080 0.000 1.106 63 F CA -0.626 57.406 58.000 0.054 0.000 1.163 63 F CB 1.028 40.062 39.000 0.055 0.000 1.129 63 F HN -0.224 nan 8.300 nan 0.000 0.516 64 K N 3.255 123.827 120.400 0.286 0.000 2.338 64 K HA 0.247 4.567 4.320 0.000 0.000 0.290 64 K C -0.432 176.420 176.600 0.420 0.000 1.069 64 K CA -0.032 56.433 56.287 0.297 0.000 0.941 64 K CB 0.384 33.001 32.500 0.195 0.000 1.023 64 K HN 0.569 nan 8.250 nan 0.000 0.477 65 T N 3.020 117.780 114.554 0.343 0.000 2.807 65 T HA 0.332 4.682 4.350 0.000 0.000 0.279 65 T C -0.608 174.041 174.700 -0.086 0.000 0.993 65 T CA -0.745 61.449 62.100 0.156 0.000 0.970 65 T CB 1.342 70.254 68.868 0.073 0.000 0.950 65 T HN 0.271 nan 8.240 nan 0.000 0.441 66 L N 3.954 124.952 121.223 -0.374 0.000 2.280 66 L HA 0.645 4.985 4.340 0.000 0.000 0.287 66 L C -1.022 175.575 176.870 -0.455 0.000 1.023 66 L CA -0.869 53.520 54.840 -0.752 0.000 0.819 66 L CB 0.908 42.100 42.059 -1.446 0.000 1.212 66 L HN 0.639 nan 8.230 nan 0.000 0.420 67 L N 6.050 127.068 121.223 -0.342 0.000 2.264 67 L HA 0.559 4.899 4.340 0.000 0.000 0.289 67 L C -1.253 175.386 176.870 -0.385 0.000 1.044 67 L CA -0.045 54.636 54.840 -0.266 0.000 0.807 67 L CB 0.770 42.773 42.059 -0.094 0.000 1.192 67 L HN 0.594 nan 8.230 nan 0.000 0.425 68 L N 4.864 125.839 121.223 -0.412 0.000 2.325 68 L HA 0.581 4.921 4.340 0.000 0.000 0.281 68 L C -0.755 175.860 176.870 -0.424 0.000 1.004 68 L CA -0.567 53.990 54.840 -0.471 0.000 0.823 68 L CB 1.759 43.525 42.059 -0.487 0.000 1.236 68 L HN 0.523 nan 8.230 nan 0.000 0.415 69 E N 1.966 121.847 120.200 -0.532 0.000 2.222 69 E HA 0.565 4.915 4.350 0.000 0.000 0.267 69 E C 0.217 176.579 176.600 -0.396 0.000 0.884 69 E CA -0.293 55.821 56.400 -0.477 0.000 0.764 69 E CB 2.155 31.464 29.700 -0.652 0.000 1.169 69 E HN 0.540 nan 8.360 nan 0.000 0.413 70 A N 4.998 127.550 122.820 -0.446 0.000 1.933 70 A HA -0.044 4.276 4.320 0.000 0.000 0.218 70 A C 0.981 178.258 177.584 -0.513 0.000 1.175 70 A CA 1.070 52.713 52.037 -0.656 0.000 0.628 70 A CB -0.243 17.894 19.000 -1.437 0.000 0.814 70 A HN 0.591 nan 8.150 nan 0.000 0.444 71 R N -0.289 119.998 120.500 -0.355 0.000 2.541 71 R HA 0.283 4.623 4.340 0.000 0.000 0.263 71 R C 0.131 176.426 176.300 -0.009 0.000 1.112 71 R CA 0.111 56.110 56.100 -0.168 0.000 1.170 71 R CB 0.123 30.322 30.300 -0.169 0.000 1.167 71 R HN 0.434 nan 8.270 nan 0.000 0.582 72 D N -0.094 120.255 120.400 -0.085 0.000 2.328 72 D HA -0.030 4.610 4.640 0.000 0.000 0.226 72 D C 0.028 176.104 176.300 -0.373 0.000 1.066 72 D CA 0.108 54.025 54.000 -0.137 0.000 0.861 72 D CB 0.045 40.751 40.800 -0.157 0.000 0.912 72 D HN 0.429 nan 8.370 nan 0.000 0.521 73 R N -0.228 120.087 120.500 -0.309 0.000 2.764 73 R HA 0.573 4.913 4.340 0.000 0.000 0.270 73 R C -0.239 175.915 176.300 -0.243 0.000 1.014 73 R CA -1.145 54.669 56.100 -0.475 0.000 0.904 73 R CB 1.020 31.038 30.300 -0.470 0.000 1.236 73 R HN 0.046 nan 8.270 nan 0.000 0.466 74 I N -1.596 118.763 120.570 -0.352 0.000 2.834 74 I HA 0.740 4.910 4.170 0.000 0.000 0.305 74 I C 0.632 176.591 176.117 -0.263 0.000 1.008 74 I CA 0.136 61.281 61.300 -0.258 0.000 1.273 74 I CB 1.482 39.263 38.000 -0.365 0.000 1.432 74 I HN 0.976 nan 8.210 nan 0.000 0.557 75 G N 1.331 109.957 108.800 -0.289 0.000 2.316 75 G HA2 -0.015 3.945 3.960 0.000 0.000 0.203 75 G HA3 -0.015 3.945 3.960 0.000 0.000 0.203 75 G C 0.907 175.744 174.900 -0.104 0.000 0.999 75 G CA 0.066 44.995 45.100 -0.285 0.000 0.649 75 G HN 1.896 nan 8.290 nan 0.000 0.489 76 G N 0.678 109.443 108.800 -0.059 0.000 2.690 76 G HA2 -0.420 3.540 3.960 0.000 0.000 0.334 76 G HA3 -0.420 3.540 3.960 0.000 0.000 0.334 76 G C 0.929 175.979 174.900 0.250 0.000 1.250 76 G CA 1.520 46.664 45.100 0.073 0.000 0.994 76 G HN 1.170 nan 8.290 nan 0.000 0.549 77 R N 0.830 121.429 120.500 0.165 0.000 2.328 77 R HA 0.384 4.724 4.340 0.000 0.000 0.200 77 R C 0.752 177.073 176.300 0.035 0.000 0.983 77 R CA 0.800 56.842 56.100 -0.098 0.000 1.062 77 R CB -0.021 30.144 30.300 -0.225 0.000 0.956 77 R HN 0.325 nan 8.270 nan 0.000 0.479 78 S N 0.761 116.660 115.700 0.331 0.000 2.614 78 S HA 0.588 5.058 4.470 0.000 0.000 0.288 78 S C -1.811 173.124 174.600 0.557 0.000 1.137 78 S CA -0.815 57.640 58.200 0.426 0.000 0.992 78 S CB 0.803 64.300 63.200 0.495 0.000 1.026 78 S HN 0.384 nan 8.310 nan 0.000 0.486 79 W N 2.084 123.514 121.300 0.216 0.000 3.173 79 W HA 0.536 5.196 4.660 -0.000 0.000 0.313 79 W C -1.740 174.857 176.519 0.129 0.000 1.228 79 W CA -0.725 56.700 57.345 0.133 0.000 1.185 79 W CB 0.095 29.595 29.460 0.068 0.000 1.390 79 W HN 0.748 nan 8.180 nan 0.000 0.568 80 S N 0.705 116.473 115.700 0.113 0.000 2.566 80 S HA 0.738 5.208 4.470 0.000 0.000 0.298 80 S C -1.115 173.453 174.600 -0.053 0.000 1.083 80 S CA -0.727 57.416 58.200 -0.096 0.000 0.978 80 S CB 2.252 65.423 63.200 -0.049 0.000 1.073 80 S HN 0.802 nan 8.310 nan 0.000 0.491 81 S N 1.465 117.084 115.700 -0.135 0.000 2.552 81 S HA 0.438 4.908 4.470 0.000 0.000 0.314 81 S C -1.256 173.362 174.600 0.029 0.000 1.099 81 S CA -0.795 57.390 58.200 -0.024 0.000 1.070 81 S CB 0.021 63.174 63.200 -0.078 0.000 0.998 81 S HN 0.657 nan 8.310 nan 0.000 0.474 82 N N 4.805 123.521 118.700 0.027 0.000 2.482 82 N HA 0.328 5.068 4.740 0.000 0.000 0.242 82 N C -0.904 174.655 175.510 0.083 0.000 1.100 82 N CA 0.116 53.183 53.050 0.028 0.000 0.946 82 N CB 0.234 38.717 38.487 -0.007 0.000 1.227 82 N HN 0.608 nan 8.380 nan 0.000 0.508 83 I N 1.511 122.192 120.570 0.186 0.000 2.362 83 I HA 0.114 4.284 4.170 0.000 0.000 0.289 83 I C -0.056 176.175 176.117 0.191 0.000 0.994 83 I CA -0.574 60.830 61.300 0.173 0.000 1.158 83 I CB 1.137 39.229 38.000 0.154 0.000 1.315 83 I HN 0.245 nan 8.210 nan 0.000 0.451 84 D N 5.438 125.900 120.400 0.103 0.000 2.708 84 D HA -0.196 4.444 4.640 0.000 0.000 0.236 84 D C 1.097 177.452 176.300 0.093 0.000 1.146 84 D CA 1.678 55.728 54.000 0.083 0.000 0.662 84 D CB -1.028 39.819 40.800 0.079 0.000 1.059 84 D HN 1.138 nan 8.370 nan 0.000 0.428 85 G N -0.790 108.056 108.800 0.076 0.000 2.148 85 G HA2 -0.355 3.605 3.960 0.000 0.000 0.254 85 G HA3 -0.355 3.605 3.960 0.000 0.000 0.254 85 G C -0.096 174.844 174.900 0.067 0.000 0.981 85 G CA 0.462 45.595 45.100 0.055 0.000 0.670 85 G HN 0.580 nan 8.290 nan 0.000 0.528 86 Y N 1.083 121.334 120.300 -0.082 0.000 2.376 86 Y HA 0.602 5.152 4.550 0.000 0.000 0.340 86 Y C -2.510 173.197 175.900 -0.322 0.000 0.965 86 Y CA -2.700 55.259 58.100 -0.235 0.000 1.078 86 Y CB 2.406 40.649 38.460 -0.361 0.000 1.193 86 Y HN 0.014 nan 8.280 nan 0.000 0.452 87 P HA 0.173 nan 4.420 nan 0.000 0.287 87 P C -1.662 175.195 177.300 -0.739 0.000 1.307 87 P CA 0.197 62.952 63.100 -0.576 0.000 0.777 87 P CB 0.035 31.468 31.700 -0.446 0.000 0.883 88 Y N 1.378 121.461 120.300 -0.362 0.000 2.326 88 Y HA 0.210 4.760 4.550 0.000 0.000 0.337 88 Y C 1.259 176.864 175.900 -0.492 0.000 1.023 88 Y CA -0.202 57.588 58.100 -0.516 0.000 1.143 88 Y CB 1.094 39.251 38.460 -0.505 0.000 1.183 88 Y HN 0.255 nan 8.280 nan 0.000 0.485 89 E N 4.834 124.843 120.200 -0.318 0.000 2.089 89 E HA 0.116 4.466 4.350 0.000 0.000 0.284 89 E C 0.347 176.987 176.600 0.067 0.000 1.023 89 E CA -0.179 56.147 56.400 -0.123 0.000 0.819 89 E CB 1.166 30.827 29.700 -0.065 0.000 1.076 89 E HN 0.777 nan 8.360 nan 0.000 0.396 90 M N 1.037 120.536 119.600 -0.168 0.000 2.200 90 M HA 0.014 4.494 4.480 0.000 0.000 0.265 90 M C 1.230 177.858 176.300 0.547 0.000 1.066 90 M CA 1.021 56.311 55.300 -0.018 0.000 1.127 90 M CB -0.460 31.578 32.600 -0.936 0.000 1.379 90 M HN 0.509 nan 8.290 nan 0.000 0.420 91 G N -1.192 107.849 108.800 0.402 0.000 3.359 91 G HA2 0.485 4.445 3.960 0.000 0.000 0.187 91 G HA3 0.485 4.445 3.960 0.000 0.000 0.187 91 G C -0.283 174.713 174.900 0.160 0.000 1.294 91 G CA -0.068 45.211 45.100 0.298 0.000 0.769 91 G HN 0.381 nan 8.290 nan 0.000 0.733 92 G N -0.383 108.476 108.800 0.099 0.000 2.305 92 G HA2 0.407 4.367 3.960 0.000 0.000 0.243 92 G HA3 0.407 4.367 3.960 0.000 0.000 0.243 92 G C 0.373 175.297 174.900 0.040 0.000 1.288 92 G CA 0.910 46.062 45.100 0.086 0.000 0.901 92 G HN 0.452 nan 8.290 nan 0.000 0.516 93 T N 1.755 116.242 114.554 -0.112 0.000 3.232 93 T HA 0.139 4.489 4.350 0.000 0.000 0.259 93 T C 0.294 174.772 174.700 -0.371 0.000 0.987 93 T CA -0.029 61.852 62.100 -0.366 0.000 1.096 93 T CB 0.291 68.602 68.868 -0.927 0.000 1.131 93 T HN 0.544 nan 8.240 nan 0.000 0.445 94 W N 3.782 125.075 121.300 -0.013 0.000 2.376 94 W HA 0.618 5.278 4.660 0.000 0.000 0.322 94 W C -0.134 176.291 176.519 -0.157 0.000 1.160 94 W CA -1.023 56.263 57.345 -0.097 0.000 1.218 94 W CB 0.591 29.992 29.460 -0.100 0.000 1.205 94 W HN 0.058 nan 8.180 nan 0.000 0.559 95 V N -0.217 119.708 119.914 0.017 0.000 3.160 95 V HA 0.654 4.774 4.120 0.000 0.000 0.310 95 V C -0.979 175.080 176.094 -0.057 0.000 1.181 95 V CA -0.785 61.456 62.300 -0.099 0.000 1.047 95 V CB 2.782 34.503 31.823 -0.171 0.000 1.068 95 V HN 0.708 nan 8.190 nan 0.000 0.441 96 H N 0.548 119.444 119.070 -0.290 0.000 3.068 96 H HA 0.233 4.789 4.556 0.000 0.000 0.342 96 H C -0.592 174.374 175.328 -0.603 0.000 1.284 96 H CA -0.028 55.678 56.048 -0.571 0.000 1.181 96 H CB 1.840 31.132 29.762 -0.782 0.000 1.898 96 H HN 1.000 nan 8.280 nan 0.000 0.540 97 W N 2.356 122.885 121.300 -1.284 0.000 2.721 97 W HA 0.070 4.730 4.660 0.000 0.000 0.245 97 W C 0.676 176.985 176.519 -0.350 0.000 1.276 97 W CA 0.264 56.754 57.345 -1.426 0.000 1.342 97 W CB -0.600 27.626 29.460 -2.057 0.000 1.135 97 W HN 0.522 nan 8.180 nan 0.000 0.654 98 H N 0.370 119.320 119.070 -0.200 0.000 2.548 98 H HA 0.125 4.681 4.556 0.000 0.000 0.265 98 H C 0.405 175.730 175.328 -0.004 0.000 0.969 98 H CA 0.128 56.155 56.048 -0.035 0.000 1.155 98 H CB 0.269 29.979 29.762 -0.087 0.000 1.394 98 H HN 0.232 nan 8.280 nan 0.000 0.570 99 Q N 0.813 120.548 119.800 -0.109 0.000 2.390 99 Q HA 0.094 4.434 4.340 0.000 0.000 0.249 99 Q C 0.823 176.851 176.000 0.047 0.000 0.996 99 Q CA -0.307 55.304 55.803 -0.319 0.000 0.899 99 Q CB 2.110 30.279 28.738 -0.947 0.000 1.216 99 Q HN 0.116 nan 8.270 nan 0.000 0.465 100 S N 3.134 118.936 115.700 0.170 0.000 2.359 100 S HA -0.219 4.251 4.470 0.000 0.000 0.224 100 S C 1.345 175.953 174.600 0.013 0.000 1.035 100 S CA 1.456 59.687 58.200 0.051 0.000 1.018 100 S CB 0.021 63.142 63.200 -0.133 0.000 0.876 100 S HN 0.719 nan 8.310 nan 0.000 0.448 101 H N -0.593 118.601 119.070 0.207 0.000 2.355 101 H HA 0.127 4.683 4.556 0.000 0.000 0.303 101 H C 2.468 177.929 175.328 0.222 0.000 1.061 101 H CA 1.283 57.450 56.048 0.198 0.000 1.368 101 H CB -0.875 29.001 29.762 0.191 0.000 1.412 101 H HN 0.369 nan 8.280 nan 0.000 0.523 102 V N 1.333 121.442 119.914 0.327 0.000 2.407 102 V HA -0.208 3.912 4.120 0.000 0.000 0.248 102 V C 2.120 178.381 176.094 0.277 0.000 1.055 102 V CA 1.459 63.945 62.300 0.310 0.000 1.049 102 V CB -0.500 31.429 31.823 0.177 0.000 0.662 102 V HN 0.547 nan 8.190 nan 0.000 0.455 103 W N 0.533 121.880 121.300 0.077 0.000 2.425 103 W HA -0.127 4.533 4.660 -0.000 0.000 0.277 103 W C 2.568 179.137 176.519 0.083 0.000 1.231 103 W CA 1.536 58.922 57.345 0.068 0.000 1.248 103 W CB -0.127 29.373 29.460 0.067 0.000 1.117 103 W HN 0.197 nan 8.180 nan 0.000 0.568 104 R N 0.985 121.555 120.500 0.115 0.000 2.092 104 R HA -0.144 4.196 4.340 0.000 0.000 0.231 104 R C 1.670 177.942 176.300 -0.047 0.000 1.119 104 R CA 1.396 57.506 56.100 0.017 0.000 0.970 104 R CB -0.349 29.986 30.300 0.059 0.000 0.864 104 R HN 0.122 nan 8.270 nan 0.000 0.440 105 E N 0.478 120.723 120.200 0.076 0.000 2.152 105 E HA -0.097 4.253 4.350 0.000 0.000 0.192 105 E C 2.158 178.839 176.600 0.136 0.000 0.983 105 E CA 0.673 57.123 56.400 0.082 0.000 0.818 105 E CB -0.184 29.772 29.700 0.427 0.000 0.758 105 E HN 0.403 nan 8.360 nan 0.000 0.467 106 I N 1.622 122.212 120.570 0.033 0.000 2.226 106 I HA -0.254 3.916 4.170 0.000 0.000 0.245 106 I C 2.629 178.603 176.117 -0.238 0.000 1.100 106 I CA 1.818 63.019 61.300 -0.165 0.000 1.374 106 I CB -0.431 37.258 38.000 -0.518 0.000 1.057 106 I HN 0.169 nan 8.210 nan 0.000 0.413 107 T N -1.491 112.810 114.554 -0.421 0.000 2.857 107 T HA -0.174 4.176 4.350 0.000 0.000 0.266 107 T C 2.029 176.646 174.700 -0.138 0.000 1.048 107 T CA 0.724 62.662 62.100 -0.270 0.000 1.139 107 T CB -0.400 68.246 68.868 -0.369 0.000 0.874 107 T HN 0.239 nan 8.240 nan 0.000 0.455 108 R N -0.201 120.181 120.500 -0.198 0.000 2.105 108 R HA -0.072 4.268 4.340 0.000 0.000 0.239 108 R C 1.396 177.565 176.300 -0.219 0.000 1.135 108 R CA 1.313 57.265 56.100 -0.246 0.000 0.967 108 R CB -0.307 29.766 30.300 -0.379 0.000 0.861 108 R HN 0.476 nan 8.270 nan 0.000 0.442 109 Y N 0.511 120.781 120.300 -0.050 0.000 2.471 109 Y HA 0.185 4.736 4.550 0.000 0.000 0.286 109 Y C 0.075 175.961 175.900 -0.024 0.000 1.188 109 Y CA 0.034 58.106 58.100 -0.047 0.000 1.286 109 Y CB 0.079 38.509 38.460 -0.051 0.000 1.072 109 Y HN -0.033 nan 8.280 nan 0.000 0.517 110 K N -0.296 120.182 120.400 0.130 0.000 3.244 110 K HA -0.244 4.076 4.320 0.000 0.000 0.270 110 K C 0.300 176.856 176.600 -0.073 0.000 1.016 110 K CA 0.724 57.083 56.287 0.120 0.000 0.754 110 K CB -1.641 30.914 32.500 0.092 0.000 1.326 110 K HN 0.424 nan 8.250 nan 0.000 0.465 111 M N -0.496 119.069 119.600 -0.059 0.000 2.306 111 M HA 0.033 4.513 4.480 0.000 0.000 0.292 111 M C 1.767 177.953 176.300 -0.190 0.000 1.018 111 M CA -0.168 55.070 55.300 -0.105 0.000 1.007 111 M CB 0.190 32.808 32.600 0.031 0.000 1.510 111 M HN 0.364 nan 8.290 nan 0.000 0.537 112 H N -0.508 118.455 119.070 -0.177 0.000 2.426 112 H HA -0.034 4.522 4.556 0.000 0.000 0.298 112 H C 0.601 175.919 175.328 -0.017 0.000 1.107 112 H CA 1.132 57.060 56.048 -0.200 0.000 1.298 112 H CB -0.633 29.000 29.762 -0.216 0.000 1.377 112 H HN 0.319 nan 8.280 nan 0.000 0.519 113 N N 0.808 119.221 118.700 -0.478 0.000 2.314 113 N HA 0.194 4.934 4.740 0.000 0.000 0.200 113 N C 0.477 175.911 175.510 -0.127 0.000 1.135 113 N CA 0.647 53.563 53.050 -0.223 0.000 0.835 113 N CB 0.644 38.983 38.487 -0.247 0.000 0.989 113 N HN 0.498 nan 8.380 nan 0.000 0.478 114 A N 0.470 123.240 122.820 -0.084 0.000 2.827 114 A HA 0.401 4.721 4.320 0.000 0.000 0.300 114 A C 0.100 177.736 177.584 0.086 0.000 1.237 114 A CA -0.297 51.743 52.037 0.005 0.000 0.964 114 A CB -0.212 18.796 19.000 0.012 0.000 1.143 114 A HN 0.089 nan 8.150 nan 0.000 0.554 115 L N -0.758 120.490 121.223 0.043 0.000 2.322 115 L HA 0.686 5.026 4.340 0.000 0.000 0.269 115 L C 0.014 176.917 176.870 0.055 0.000 1.012 115 L CA -0.644 54.220 54.840 0.039 0.000 0.815 115 L CB 2.118 44.184 42.059 0.011 0.000 1.295 115 L HN 0.072 nan 8.230 nan 0.000 0.438 116 S N 0.622 116.379 115.700 0.095 0.000 2.526 116 S HA 0.557 5.027 4.470 0.000 0.000 0.293 116 S C -2.684 172.055 174.600 0.231 0.000 1.092 116 S CA -1.100 57.175 58.200 0.126 0.000 0.980 116 S CB 2.137 65.396 63.200 0.098 0.000 1.048 116 S HN 0.367 nan 8.310 nan 0.000 0.483 117 P HA 0.291 nan 4.420 nan 0.000 0.281 117 P C 0.155 177.538 177.300 0.139 0.000 1.252 117 P CA -0.158 63.109 63.100 0.280 0.000 0.778 117 P CB 1.082 32.926 31.700 0.240 0.000 0.895 118 S N 2.228 117.973 115.700 0.076 0.000 2.368 118 S HA -0.021 4.449 4.470 0.000 0.000 0.224 118 S C 0.647 175.100 174.600 -0.245 0.000 1.029 118 S CA 1.003 59.170 58.200 -0.055 0.000 0.988 118 S CB -0.575 62.548 63.200 -0.129 0.000 0.838 118 S HN 0.412 nan 8.310 nan 0.000 0.462 119 F N 2.369 122.221 119.950 -0.163 0.000 2.412 119 F HA 0.461 4.988 4.527 0.000 0.000 0.348 119 F C 0.622 176.175 175.800 -0.413 0.000 1.102 119 F CA -0.548 57.212 58.000 -0.399 0.000 1.196 119 F CB 0.434 39.008 39.000 -0.709 0.000 1.144 119 F HN 0.002 nan 8.300 nan 0.000 0.541 120 N N 3.059 121.615 118.700 -0.239 0.000 2.599 120 N HA 0.197 4.937 4.740 0.000 0.000 0.283 120 N C -1.162 174.412 175.510 0.106 0.000 1.160 120 N CA -0.353 52.642 53.050 -0.091 0.000 0.869 120 N CB 0.378 38.891 38.487 0.043 0.000 1.448 120 N HN 0.266 nan 8.380 nan 0.000 0.535 121 F N 0.929 120.940 119.950 0.102 0.000 2.708 121 F HA 0.214 4.741 4.527 0.000 0.000 0.300 121 F C 2.025 177.890 175.800 0.109 0.000 1.118 121 F CA -0.394 57.676 58.000 0.116 0.000 1.307 121 F CB -0.239 38.807 39.000 0.077 0.000 0.986 121 F HN 0.490 nan 8.300 nan 0.000 0.522 122 S N 0.706 116.552 115.700 0.242 0.000 2.593 122 S HA 0.189 4.659 4.470 0.000 0.000 0.217 122 S C 0.624 175.306 174.600 0.137 0.000 0.966 122 S CA -0.292 58.005 58.200 0.163 0.000 0.914 122 S CB -0.046 63.222 63.200 0.113 0.000 0.776 122 S HN 0.515 nan 8.310 nan 0.000 0.523 123 R N -1.939 118.652 120.500 0.152 0.000 2.728 123 R HA 0.636 4.976 4.340 0.000 0.000 0.274 123 R C 0.281 176.651 176.300 0.118 0.000 1.030 123 R CA -0.537 55.631 56.100 0.113 0.000 0.876 123 R CB 0.067 30.421 30.300 0.090 0.000 1.259 123 R HN 0.576 nan 8.270 nan 0.000 0.468 124 G N -0.004 108.844 108.800 0.080 0.000 2.568 124 G HA2 -0.248 3.712 3.960 0.000 0.000 0.222 124 G HA3 -0.248 3.712 3.960 0.000 0.000 0.222 124 G C 0.676 175.590 174.900 0.023 0.000 1.321 124 G CA 0.439 45.576 45.100 0.061 0.000 0.893 124 G HN 1.521 nan 8.290 nan 0.000 0.569 125 V N -2.037 117.858 119.914 -0.031 0.000 2.515 125 V HA 0.089 4.209 4.120 0.000 0.000 0.250 125 V C 1.451 177.380 176.094 -0.276 0.000 1.058 125 V CA 2.379 64.562 62.300 -0.195 0.000 1.064 125 V CB -1.120 30.468 31.823 -0.392 0.000 0.675 125 V HN 2.475 nan 8.190 nan 0.000 0.461 126 N N 1.636 120.247 118.700 -0.148 0.000 2.708 126 N HA -0.189 4.551 4.740 0.000 0.000 0.255 126 N C -0.381 174.984 175.510 -0.242 0.000 1.046 126 N CA 1.323 54.323 53.050 -0.083 0.000 0.715 126 N CB -1.639 36.855 38.487 0.011 0.000 0.895 126 N HN 1.225 nan 8.380 nan 0.000 0.545 127 H N -2.123 116.785 119.070 -0.269 0.000 3.014 127 H HA 0.586 5.142 4.556 0.000 0.000 0.337 127 H C -1.469 173.634 175.328 -0.375 0.000 1.320 127 H CA -1.143 54.685 56.048 -0.367 0.000 1.128 127 H CB -0.076 29.651 29.762 -0.058 0.000 1.862 127 H HN -0.003 nan 8.280 nan 0.000 0.536 128 F N 1.719 121.517 119.950 -0.253 0.000 2.420 128 F HA 0.444 4.971 4.527 0.000 0.000 0.342 128 F C -0.315 175.357 175.800 -0.213 0.000 1.113 128 F CA -0.609 57.220 58.000 -0.286 0.000 1.059 128 F CB 1.785 40.627 39.000 -0.263 0.000 1.128 128 F HN 0.772 nan 8.300 nan 0.000 0.475 129 Q N 7.056 126.419 119.800 -0.729 0.000 2.372 129 Q HA 0.486 4.826 4.340 0.000 0.000 0.259 129 Q C -2.019 173.410 176.000 -0.951 0.000 0.993 129 Q CA -1.002 54.394 55.803 -0.678 0.000 0.854 129 Q CB 1.355 30.066 28.738 -0.045 0.000 1.231 129 Q HN 0.819 nan 8.270 nan 0.000 0.462 130 L N 4.408 125.050 121.223 -0.969 0.000 2.296 130 L HA 0.548 4.888 4.340 0.000 0.000 0.286 130 L C -1.313 175.362 176.870 -0.326 0.000 1.023 130 L CA -0.052 54.371 54.840 -0.695 0.000 0.812 130 L CB 1.340 43.031 42.059 -0.613 0.000 1.223 130 L HN 0.632 nan 8.230 nan 0.000 0.421 131 R N 2.724 123.162 120.500 -0.103 0.000 2.435 131 R HA 0.395 4.735 4.340 0.000 0.000 0.308 131 R C 0.255 176.719 176.300 0.272 0.000 0.975 131 R CA 0.243 56.390 56.100 0.079 0.000 0.867 131 R CB 1.456 31.894 30.300 0.229 0.000 1.171 131 R HN 0.800 nan 8.270 nan 0.000 0.470 132 T N -1.538 113.116 114.554 0.166 0.000 3.054 132 T HA 0.098 4.449 4.350 0.000 0.000 0.255 132 T C 0.243 175.016 174.700 0.122 0.000 1.035 132 T CA -0.205 62.016 62.100 0.201 0.000 0.941 132 T CB -0.304 68.620 68.868 0.095 0.000 1.026 132 T HN 0.636 nan 8.240 nan 0.000 0.533 133 N N -0.419 118.210 118.700 -0.120 0.000 2.591 133 N HA 0.432 5.172 4.740 0.000 0.000 0.263 133 N C -2.957 171.949 175.510 -1.007 0.000 1.308 133 N CA -1.851 50.881 53.050 -0.530 0.000 0.837 133 N CB 1.064 39.387 38.487 -0.274 0.000 1.548 133 N HN -0.282 nan 8.380 nan 0.000 0.493 134 P HA 0.007 nan 4.420 nan 0.000 0.237 134 P C 0.252 177.308 177.300 -0.407 0.000 1.178 134 P CA 0.896 63.391 63.100 -1.009 0.000 0.766 134 P CB 0.056 31.364 31.700 -0.652 0.000 0.876 135 T N -2.662 111.701 114.554 -0.319 0.000 3.009 135 T HA 0.047 4.397 4.350 0.000 0.000 0.258 135 T C 0.995 175.619 174.700 -0.126 0.000 1.063 135 T CA 0.879 62.874 62.100 -0.175 0.000 1.139 135 T CB -0.080 68.703 68.868 -0.141 0.000 0.890 135 T HN 0.121 nan 8.240 nan 0.000 0.471 136 T N 0.783 115.251 114.554 -0.144 0.000 2.901 136 T HA 0.618 4.968 4.350 0.000 0.000 0.293 136 T C -1.506 173.122 174.700 -0.121 0.000 1.084 136 T CA -0.505 61.532 62.100 -0.105 0.000 1.008 136 T CB 1.887 70.695 68.868 -0.099 0.000 1.170 136 T HN 0.004 nan 8.240 nan 0.000 0.509 137 S N 1.008 116.616 115.700 -0.153 0.000 2.541 137 S HA 0.658 5.128 4.470 0.000 0.000 0.280 137 S C -1.026 173.309 174.600 -0.443 0.000 1.112 137 S CA -0.640 57.361 58.200 -0.332 0.000 0.925 137 S CB 1.990 64.908 63.200 -0.470 0.000 1.067 137 S HN 0.752 nan 8.310 nan 0.000 0.479 138 T N 3.099 117.334 114.554 -0.531 0.000 2.770 138 T HA 0.519 4.869 4.350 0.000 0.000 0.283 138 T C -1.254 173.041 174.700 -0.675 0.000 0.988 138 T CA -0.242 61.584 62.100 -0.457 0.000 0.957 138 T CB 0.188 68.900 68.868 -0.260 0.000 0.930 138 T HN 0.408 nan 8.240 nan 0.000 0.443 139 Y N 3.507 123.670 120.300 -0.230 0.000 2.361 139 Y HA 0.735 5.285 4.550 -0.000 0.000 0.332 139 Y C 0.476 176.264 175.900 -0.188 0.000 1.101 139 Y CA -1.238 56.673 58.100 -0.314 0.000 1.137 139 Y CB 1.308 39.537 38.460 -0.385 0.000 1.207 139 Y HN 0.593 nan 8.280 nan 0.000 0.463 140 M N -0.276 119.321 119.600 -0.003 0.000 2.682 140 M HA 0.575 5.055 4.480 0.000 0.000 0.272 140 M C -0.805 175.505 176.300 0.017 0.000 1.232 140 M CA -1.074 54.245 55.300 0.032 0.000 0.849 140 M CB 1.965 34.596 32.600 0.052 0.000 1.695 140 M HN 0.555 nan 8.290 nan 0.000 0.481 141 T N -2.324 112.225 114.554 -0.008 0.000 2.802 141 T HA 0.204 4.554 4.350 0.000 0.000 0.305 141 T C 0.822 175.451 174.700 -0.119 0.000 1.053 141 T CA 0.012 62.070 62.100 -0.071 0.000 1.058 141 T CB 0.281 69.133 68.868 -0.026 0.000 0.988 141 T HN 0.721 nan 8.240 nan 0.000 0.539 142 H N 0.906 119.883 119.070 -0.154 0.000 2.387 142 H HA -0.045 4.511 4.556 0.000 0.000 0.299 142 H C 2.114 177.352 175.328 -0.149 0.000 1.090 142 H CA 1.987 57.882 56.048 -0.254 0.000 1.332 142 H CB -0.063 29.348 29.762 -0.585 0.000 1.386 142 H HN 0.767 nan 8.280 nan 0.000 0.516 143 E N 0.711 120.924 120.200 0.023 0.000 2.051 143 E HA -0.106 4.244 4.350 0.000 0.000 0.192 143 E C 2.436 179.025 176.600 -0.018 0.000 0.991 143 E CA 1.166 57.572 56.400 0.009 0.000 0.799 143 E CB -0.226 29.483 29.700 0.016 0.000 0.748 143 E HN 0.416 nan 8.360 nan 0.000 0.449 144 A N 0.883 123.692 122.820 -0.018 0.000 1.969 144 A HA -0.242 4.078 4.320 0.000 0.000 0.218 144 A C 2.143 179.698 177.584 -0.048 0.000 1.169 144 A CA 1.592 53.617 52.037 -0.020 0.000 0.635 144 A CB -0.462 18.539 19.000 0.002 0.000 0.810 144 A HN 0.302 nan 8.150 nan 0.000 0.445 145 E N 0.105 120.262 120.200 -0.072 0.000 2.038 145 E HA -0.268 4.082 4.350 0.000 0.000 0.195 145 E C 1.279 177.710 176.600 -0.281 0.000 1.000 145 E CA 1.572 57.823 56.400 -0.248 0.000 0.803 145 E CB -0.216 29.245 29.700 -0.398 0.000 0.750 145 E HN 0.517 nan 8.360 nan 0.000 0.448 146 D N 0.304 120.611 120.400 -0.154 0.000 2.133 146 D HA -0.198 4.442 4.640 0.000 0.000 0.195 146 D C 1.909 178.089 176.300 -0.201 0.000 0.997 146 D CA 1.353 55.294 54.000 -0.099 0.000 0.840 146 D CB -0.312 40.510 40.800 0.037 0.000 0.947 146 D HN 0.216 nan 8.370 nan 0.000 0.452 147 E N 0.307 120.427 120.200 -0.134 0.000 2.106 147 E HA -0.106 4.244 4.350 0.000 0.000 0.192 147 E C 1.943 178.448 176.600 -0.158 0.000 0.984 147 E CA 0.310 56.640 56.400 -0.116 0.000 0.806 147 E CB -0.399 29.261 29.700 -0.066 0.000 0.750 147 E HN 0.181 nan 8.360 nan 0.000 0.458 148 L N -0.074 121.043 121.223 -0.177 0.000 2.017 148 L HA -0.124 4.216 4.340 0.000 0.000 0.208 148 L C 2.087 178.793 176.870 -0.274 0.000 1.073 148 L CA 1.528 56.264 54.840 -0.174 0.000 0.745 148 L CB -0.536 41.448 42.059 -0.126 0.000 0.894 148 L HN 0.232 nan 8.230 nan 0.000 0.432 149 L N -0.475 120.466 121.223 -0.471 0.000 2.056 149 L HA -0.150 4.191 4.340 0.000 0.000 0.207 149 L C 2.730 179.213 176.870 -0.646 0.000 1.078 149 L CA 1.447 55.861 54.840 -0.710 0.000 0.749 149 L CB -1.296 39.991 42.059 -1.286 0.000 0.901 149 L HN 0.434 nan 8.230 nan 0.000 0.433 150 R N -0.442 119.730 120.500 -0.547 0.000 2.094 150 R HA -0.202 4.138 4.340 0.000 0.000 0.239 150 R C 2.522 178.792 176.300 -0.050 0.000 1.137 150 R CA 2.089 58.080 56.100 -0.182 0.000 0.943 150 R CB -0.234 30.018 30.300 -0.079 0.000 0.850 150 R HN 0.285 nan 8.270 nan 0.000 0.433 151 S N -0.287 115.361 115.700 -0.087 0.000 2.356 151 S HA -0.129 4.341 4.470 0.000 0.000 0.223 151 S C 2.037 176.638 174.600 0.003 0.000 1.032 151 S CA 1.412 59.601 58.200 -0.019 0.000 1.005 151 S CB -0.232 62.939 63.200 -0.048 0.000 0.867 151 S HN 0.509 nan 8.310 nan 0.000 0.449 152 A N 1.171 123.940 122.820 -0.085 0.000 1.902 152 A HA 0.063 4.383 4.320 0.000 0.000 0.217 152 A C 2.249 179.790 177.584 -0.073 0.000 1.181 152 A CA 1.535 53.514 52.037 -0.098 0.000 0.623 152 A CB -0.835 18.058 19.000 -0.177 0.000 0.818 152 A HN 0.577 nan 8.150 nan 0.000 0.443 153 L N -1.599 119.569 121.223 -0.092 0.000 2.156 153 L HA -0.134 4.206 4.340 0.000 0.000 0.208 153 L C 2.517 179.376 176.870 -0.019 0.000 1.095 153 L CA 1.449 56.253 54.840 -0.059 0.000 0.770 153 L CB -0.543 41.508 42.059 -0.014 0.000 0.914 153 L HN 0.671 nan 8.230 nan 0.000 0.439 154 H N 0.644 119.725 119.070 0.018 0.000 2.290 154 H HA -0.176 4.380 4.556 0.000 0.000 0.298 154 H C 2.198 177.535 175.328 0.016 0.000 1.087 154 H CA 1.889 57.972 56.048 0.058 0.000 1.291 154 H CB 0.139 29.944 29.762 0.071 0.000 1.369 154 H HN 0.100 nan 8.280 nan 0.000 0.492 155 K N -0.795 119.570 120.400 -0.059 0.000 2.057 155 K HA -0.145 4.175 4.320 0.000 0.000 0.207 155 K C 2.152 178.701 176.600 -0.084 0.000 1.049 155 K CA 1.383 57.609 56.287 -0.102 0.000 0.931 155 K CB -0.351 32.150 32.500 0.002 0.000 0.714 155 K HN 0.212 nan 8.250 nan 0.000 0.440 156 F N 2.089 121.922 119.950 -0.196 0.000 2.095 156 F HA -0.231 4.296 4.527 0.000 0.000 0.298 156 F C 2.438 178.175 175.800 -0.105 0.000 1.104 156 F CA 2.035 59.924 58.000 -0.185 0.000 1.232 156 F CB -0.512 38.351 39.000 -0.229 0.000 0.987 156 F HN 0.068 nan 8.300 nan 0.000 0.475 157 T N -2.788 111.641 114.554 -0.208 0.000 3.081 157 T HA 0.013 4.363 4.350 0.000 0.000 0.255 157 T C 1.126 175.696 174.700 -0.217 0.000 1.113 157 T CA 0.317 62.223 62.100 -0.322 0.000 1.082 157 T CB -0.649 67.722 68.868 -0.827 0.000 0.939 157 T HN 0.105 nan 8.240 nan 0.000 0.506 158 N N 2.557 121.110 118.700 -0.245 0.000 3.193 158 N HA 0.101 4.841 4.740 0.000 0.000 0.312 158 N C 1.237 176.657 175.510 -0.149 0.000 1.261 158 N CA -0.150 52.768 53.050 -0.220 0.000 1.208 158 N CB 0.039 38.269 38.487 -0.429 0.000 1.471 158 N HN 0.446 nan 8.380 nan 0.000 0.548 159 V N -1.874 117.957 119.914 -0.139 0.000 3.217 159 V HA 0.058 4.178 4.120 0.000 0.000 0.264 159 V C 0.630 176.706 176.094 -0.030 0.000 1.135 159 V CA 1.309 63.534 62.300 -0.126 0.000 1.142 159 V CB -0.307 31.289 31.823 -0.379 0.000 0.754 159 V HN 0.399 nan 8.190 nan 0.000 0.484 160 D N -1.420 118.965 120.400 -0.025 0.000 2.556 160 D HA 0.313 4.953 4.640 0.000 0.000 0.237 160 D C 1.469 177.782 176.300 0.022 0.000 1.296 160 D CA 0.418 54.434 54.000 0.027 0.000 0.807 160 D CB 0.393 41.218 40.800 0.041 0.000 1.084 160 D HN 0.652 nan 8.370 nan 0.000 0.510 161 G N 0.867 109.671 108.800 0.007 0.000 2.253 161 G HA2 -0.313 3.647 3.960 0.000 0.000 0.251 161 G HA3 -0.313 3.647 3.960 0.000 0.000 0.251 161 G C 0.905 175.827 174.900 0.037 0.000 0.998 161 G CA 0.802 45.916 45.100 0.022 0.000 0.621 161 G HN 0.891 nan 8.290 nan 0.000 0.524 162 T N -2.323 112.246 114.554 0.025 0.000 3.380 162 T HA 0.428 4.778 4.350 0.000 0.000 0.289 162 T C 0.677 175.416 174.700 0.065 0.000 1.012 162 T CA 0.609 62.726 62.100 0.028 0.000 0.944 162 T CB -0.170 68.677 68.868 -0.035 0.000 1.172 162 T HN 0.689 nan 8.240 nan 0.000 0.502 163 N N 1.437 120.200 118.700 0.105 0.000 2.708 163 N HA -0.226 4.514 4.740 0.000 0.000 0.249 163 N C 1.135 176.854 175.510 0.348 0.000 1.097 163 N CA 1.346 54.535 53.050 0.232 0.000 0.710 163 N CB -1.594 37.184 38.487 0.486 0.000 1.032 163 N HN 1.185 nan 8.380 nan 0.000 0.551 164 G N -0.764 108.130 108.800 0.157 0.000 2.179 164 G HA2 -0.333 3.627 3.960 0.000 0.000 0.220 164 G HA3 -0.333 3.627 3.960 0.000 0.000 0.220 164 G C 0.905 175.882 174.900 0.128 0.000 0.990 164 G CA 0.431 45.650 45.100 0.197 0.000 0.646 164 G HN 0.499 nan 8.290 nan 0.000 0.517 165 R N 0.073 120.481 120.500 -0.152 0.000 2.235 165 R HA 0.083 4.423 4.340 0.000 0.000 0.213 165 R C 2.349 178.540 176.300 -0.182 0.000 1.059 165 R CA 1.576 57.416 56.100 -0.434 0.000 0.997 165 R CB -0.193 29.748 30.300 -0.598 0.000 0.884 165 R HN 0.421 nan 8.270 nan 0.000 0.462 166 T N 0.084 114.605 114.554 -0.055 0.000 2.939 166 T HA -0.033 4.317 4.350 0.000 0.000 0.254 166 T C 1.931 176.685 174.700 0.090 0.000 1.041 166 T CA 1.157 63.264 62.100 0.011 0.000 1.142 166 T CB 0.156 69.043 68.868 0.032 0.000 0.874 166 T HN 0.176 nan 8.240 nan 0.000 0.452 167 V N -1.098 118.896 119.914 0.134 0.000 3.052 167 V HA 0.363 4.483 4.120 0.000 0.000 0.254 167 V C 0.913 177.135 176.094 0.213 0.000 1.100 167 V CA 0.530 62.978 62.300 0.247 0.000 1.112 167 V CB -0.357 31.689 31.823 0.372 0.000 0.738 167 V HN 0.252 nan 8.190 nan 0.000 0.469 168 L N 2.084 123.371 121.223 0.108 0.000 2.678 168 L HA 0.532 4.872 4.340 0.000 0.000 0.250 168 L C -1.540 175.338 176.870 0.015 0.000 1.455 168 L CA -1.451 53.377 54.840 -0.021 0.000 0.823 168 L CB 1.317 43.282 42.059 -0.156 0.000 1.107 168 L HN 0.003 nan 8.230 nan 0.000 0.514 169 P HA -0.081 nan 4.420 nan 0.000 0.217 169 P C 0.117 177.127 177.300 -0.483 0.000 1.151 169 P CA 1.101 64.007 63.100 -0.324 0.000 0.828 169 P CB 0.119 31.538 31.700 -0.469 0.000 0.788 170 F N 0.274 120.128 119.950 -0.159 0.000 2.363 170 F HA 0.375 4.902 4.527 0.000 0.000 0.366 170 F C -1.621 174.090 175.800 -0.147 0.000 1.083 170 F CA -2.585 55.306 58.000 -0.181 0.000 1.176 170 F CB 0.984 39.781 39.000 -0.338 0.000 1.432 170 F HN -0.114 nan 8.300 nan 0.000 0.482 171 P HA -0.151 nan 4.420 nan 0.000 0.222 171 P C 1.091 178.297 177.300 -0.156 0.000 1.147 171 P CA 1.553 64.484 63.100 -0.280 0.000 0.790 171 P CB 0.047 31.346 31.700 -0.669 0.000 0.780 172 H N -1.547 117.497 119.070 -0.043 0.000 2.521 172 H HA 0.002 4.558 4.556 0.000 0.000 0.286 172 H C 0.405 175.747 175.328 0.022 0.000 1.034 172 H CA 1.159 57.214 56.048 0.012 0.000 1.278 172 H CB -0.302 29.462 29.762 0.002 0.000 1.386 172 H HN 0.100 nan 8.280 nan 0.000 0.567 173 D N 0.126 120.603 120.400 0.128 0.000 2.404 173 D HA 0.042 4.682 4.640 0.000 0.000 0.267 173 D C 1.273 177.605 176.300 0.053 0.000 1.194 173 D CA -0.407 53.658 54.000 0.108 0.000 0.910 173 D CB 0.157 41.047 40.800 0.150 0.000 1.090 173 D HN 0.251 nan 8.370 nan 0.000 0.511 174 M N 0.233 119.754 119.600 -0.131 0.000 2.267 174 M HA -0.036 4.444 4.480 0.000 0.000 0.263 174 M C 0.145 176.340 176.300 -0.174 0.000 1.063 174 M CA 1.413 56.516 55.300 -0.328 0.000 1.090 174 M CB -0.388 31.943 32.600 -0.448 0.000 1.392 174 M HN 0.081 nan 8.290 nan 0.000 0.422 175 F N -0.906 119.159 119.950 0.192 0.000 2.732 175 F HA 0.174 4.701 4.527 0.000 0.000 0.303 175 F C 1.849 177.768 175.800 0.198 0.000 1.110 175 F CA -0.529 57.590 58.000 0.199 0.000 1.355 175 F CB -1.073 38.012 39.000 0.142 0.000 1.081 175 F HN 0.109 nan 8.300 nan 0.000 0.565 176 Y N 0.466 120.905 120.300 0.232 0.000 2.151 176 Y HA -0.136 4.414 4.550 0.000 0.000 0.284 176 Y C 0.748 176.772 175.900 0.207 0.000 1.166 176 Y CA 1.094 59.317 58.100 0.205 0.000 1.163 176 Y CB 0.061 38.665 38.460 0.240 0.000 0.974 176 Y HN -0.242 nan 8.280 nan 0.000 0.511 177 V N 3.036 123.165 119.914 0.359 0.000 2.357 177 V HA 0.170 4.290 4.120 0.000 0.000 0.284 177 V C -1.500 174.772 176.094 0.297 0.000 1.018 177 V CA -1.420 61.042 62.300 0.271 0.000 0.841 177 V CB 1.340 33.342 31.823 0.299 0.000 0.991 177 V HN 0.080 nan 8.190 nan 0.000 0.437 178 P HA -0.123 nan 4.420 nan 0.000 0.219 178 P C 1.082 178.525 177.300 0.239 0.000 1.146 178 P CA 1.046 64.286 63.100 0.233 0.000 0.808 178 P CB 0.493 32.271 31.700 0.130 0.000 0.779 179 E N -1.668 118.668 120.200 0.228 0.000 2.409 179 E HA -0.128 4.222 4.350 0.000 0.000 0.198 179 E C 1.576 178.338 176.600 0.270 0.000 1.024 179 E CA 0.211 56.731 56.400 0.199 0.000 0.861 179 E CB -0.573 29.245 29.700 0.198 0.000 0.788 179 E HN 0.241 nan 8.360 nan 0.000 0.521 180 F N 1.725 121.819 119.950 0.239 0.000 2.186 180 F HA -0.094 4.433 4.527 0.000 0.000 0.299 180 F C 2.269 178.203 175.800 0.224 0.000 1.090 180 F CA 1.178 59.356 58.000 0.297 0.000 1.307 180 F CB 0.034 39.167 39.000 0.221 0.000 1.019 180 F HN -0.206 nan 8.300 nan 0.000 0.489 181 R N 1.147 121.707 120.500 0.100 0.000 2.119 181 R HA -0.280 4.060 4.340 0.000 0.000 0.246 181 R C 2.501 178.705 176.300 -0.160 0.000 1.146 181 R CA 2.168 58.279 56.100 0.019 0.000 0.962 181 R CB -0.492 29.943 30.300 0.225 0.000 0.863 181 R HN 0.419 nan 8.270 nan 0.000 0.442 182 K N -0.430 119.840 120.400 -0.217 0.000 2.074 182 K HA -0.225 4.095 4.320 0.000 0.000 0.209 182 K C 1.624 177.997 176.600 -0.379 0.000 1.048 182 K CA 1.887 57.980 56.287 -0.324 0.000 0.926 182 K CB -0.329 31.895 32.500 -0.460 0.000 0.713 182 K HN 0.250 nan 8.250 nan 0.000 0.444 183 Y N 1.314 121.483 120.300 -0.218 0.000 2.263 183 Y HA -0.088 4.462 4.550 0.000 0.000 0.292 183 Y C 2.139 177.905 175.900 -0.224 0.000 1.130 183 Y CA 1.363 59.379 58.100 -0.139 0.000 1.179 183 Y CB -0.673 37.707 38.460 -0.134 0.000 0.998 183 Y HN 0.319 nan 8.280 nan 0.000 0.532 184 D N 0.414 120.559 120.400 -0.424 0.000 2.182 184 D HA -0.182 4.458 4.640 0.000 0.000 0.201 184 D C 1.325 177.605 176.300 -0.033 0.000 0.986 184 D CA 1.410 55.286 54.000 -0.206 0.000 0.847 184 D CB -0.014 40.679 40.800 -0.178 0.000 0.942 184 D HN 0.425 nan 8.370 nan 0.000 0.467 185 E N -0.849 119.322 120.200 -0.048 0.000 2.502 185 E HA 0.047 4.397 4.350 0.000 0.000 0.194 185 E C 0.382 176.995 176.600 0.021 0.000 1.062 185 E CA -0.237 56.159 56.400 -0.007 0.000 0.867 185 E CB 0.195 29.880 29.700 -0.026 0.000 0.888 185 E HN 0.387 nan 8.360 nan 0.000 0.510 186 M N 1.211 120.853 119.600 0.070 0.000 2.314 186 M HA 0.149 4.629 4.480 0.000 0.000 0.342 186 M C -0.047 176.363 176.300 0.183 0.000 1.171 186 M CA -0.383 54.982 55.300 0.108 0.000 1.098 186 M CB 1.110 33.795 32.600 0.140 0.000 1.559 186 M HN -0.097 nan 8.290 nan 0.000 0.459 187 S N 2.684 118.469 115.700 0.141 0.000 2.687 187 S HA 0.317 4.787 4.470 0.000 0.000 0.283 187 S C 0.725 175.509 174.600 0.307 0.000 1.170 187 S CA -0.733 57.577 58.200 0.184 0.000 1.008 187 S CB 0.646 63.903 63.200 0.094 0.000 1.026 187 S HN 0.724 nan 8.310 nan 0.000 0.541 188 Y N 1.516 121.935 120.300 0.198 0.000 2.069 188 Y HA -0.180 4.370 4.550 0.000 0.000 0.278 188 Y C 3.174 179.144 175.900 0.116 0.000 1.175 188 Y CA 1.356 59.592 58.100 0.225 0.000 1.134 188 Y CB -1.455 37.092 38.460 0.145 0.000 0.965 188 Y HN 0.849 nan 8.280 nan 0.000 0.498 189 S N -0.324 115.529 115.700 0.255 0.000 2.378 189 S HA -0.288 4.182 4.470 0.000 0.000 0.229 189 S C 1.943 176.583 174.600 0.067 0.000 1.052 189 S CA 2.079 60.356 58.200 0.128 0.000 1.084 189 S CB -0.272 62.983 63.200 0.091 0.000 0.950 189 S HN 0.623 nan 8.310 nan 0.000 0.440 190 E N -0.231 119.996 120.200 0.044 0.000 2.152 190 E HA -0.117 4.233 4.350 0.000 0.000 0.192 190 E C 2.317 178.868 176.600 -0.082 0.000 0.983 190 E CA 0.899 57.291 56.400 -0.014 0.000 0.818 190 E CB -0.113 29.578 29.700 -0.016 0.000 0.758 190 E HN 0.298 nan 8.360 nan 0.000 0.467 191 R N 1.582 121.987 120.500 -0.158 0.000 2.061 191 R HA -0.094 4.247 4.340 0.000 0.000 0.230 191 R C 2.026 178.223 176.300 -0.172 0.000 1.140 191 R CA 1.386 57.268 56.100 -0.364 0.000 0.940 191 R CB -0.740 29.013 30.300 -0.911 0.000 0.839 191 R HN 0.111 nan 8.270 nan 0.000 0.429 192 I N 1.148 121.708 120.570 -0.016 0.000 2.145 192 I HA -0.348 3.822 4.170 0.000 0.000 0.244 192 I C 1.601 177.714 176.117 -0.007 0.000 1.075 192 I CA 1.866 63.186 61.300 0.033 0.000 1.332 192 I CB -0.519 37.514 38.000 0.056 0.000 1.033 192 I HN 0.256 nan 8.210 nan 0.000 0.410 193 D N 0.440 120.832 120.400 -0.012 0.000 2.190 193 D HA -0.210 4.430 4.640 0.000 0.000 0.200 193 D C 2.240 178.521 176.300 -0.032 0.000 0.992 193 D CA 1.172 55.162 54.000 -0.017 0.000 0.854 193 D CB -0.231 40.561 40.800 -0.013 0.000 0.936 193 D HN 0.494 nan 8.370 nan 0.000 0.462 194 Q N -0.582 119.183 119.800 -0.059 0.000 2.297 194 Q HA 0.007 4.347 4.340 0.000 0.000 0.204 194 Q C 1.988 177.955 176.000 -0.055 0.000 0.962 194 Q CA 0.718 56.482 55.803 -0.065 0.000 0.879 194 Q CB 0.249 28.927 28.738 -0.099 0.000 0.947 194 Q HN 0.511 nan 8.270 nan 0.000 0.462 195 I N -4.465 116.077 120.570 -0.048 0.000 4.439 195 I HA 0.200 4.370 4.170 0.000 0.000 0.331 195 I C 1.892 177.998 176.117 -0.017 0.000 1.345 195 I CA -0.417 60.861 61.300 -0.035 0.000 1.193 195 I CB 0.111 38.089 38.000 -0.037 0.000 1.221 195 I HN -0.128 nan 8.210 nan 0.000 0.429 196 R N 2.171 122.662 120.500 -0.014 0.000 2.162 196 R HA -0.269 4.071 4.340 0.000 0.000 0.245 196 R C 1.363 177.658 176.300 -0.008 0.000 1.129 196 R CA 2.938 59.033 56.100 -0.008 0.000 0.940 196 R CB -0.443 29.854 30.300 -0.005 0.000 0.875 196 R HN 0.383 nan 8.270 nan 0.000 0.437 197 D N 0.012 120.407 120.400 -0.008 0.000 2.309 197 D HA -0.107 4.533 4.640 0.000 0.000 0.212 197 D C 1.213 177.510 176.300 -0.005 0.000 0.968 197 D CA 0.852 54.849 54.000 -0.006 0.000 0.882 197 D CB -0.023 40.773 40.800 -0.006 0.000 0.918 197 D HN 0.339 nan 8.370 nan 0.000 0.503 198 E N -0.352 119.844 120.200 -0.006 0.000 2.474 198 E HA 0.137 4.487 4.350 0.000 0.000 0.195 198 E C 0.212 176.810 176.600 -0.005 0.000 1.039 198 E CA -0.022 56.376 56.400 -0.003 0.000 0.881 198 E CB 0.719 30.418 29.700 -0.002 0.000 0.970 198 E HN 0.308 nan 8.360 nan 0.000 0.486 199 L N 1.369 122.587 121.223 -0.009 0.000 2.322 199 L HA 0.241 4.581 4.340 0.000 0.000 0.281 199 L C 0.657 177.520 176.870 -0.012 0.000 1.014 199 L CA -0.749 54.082 54.840 -0.015 0.000 0.815 199 L CB 1.729 43.773 42.059 -0.024 0.000 1.247 199 L HN -0.111 nan 8.230 nan 0.000 0.421 200 S N 1.837 117.529 115.700 -0.014 0.000 2.600 200 S HA 0.118 4.588 4.470 0.000 0.000 0.265 200 S C 0.936 175.532 174.600 -0.007 0.000 1.325 200 S CA -0.603 57.590 58.200 -0.010 0.000 1.002 200 S CB 1.004 64.196 63.200 -0.012 0.000 0.921 200 S HN 0.590 nan 8.310 nan 0.000 0.554 201 L N 1.459 122.682 121.223 0.000 0.000 2.012 201 L HA -0.109 4.231 4.340 0.000 0.000 0.210 201 L C 1.969 178.847 176.870 0.015 0.000 1.073 201 L CA 2.002 56.850 54.840 0.013 0.000 0.748 201 L CB -1.426 40.641 42.059 0.014 0.000 0.891 201 L HN 0.745 nan 8.230 nan 0.000 0.431 202 N N -0.445 118.257 118.700 0.005 0.000 2.289 202 N HA -0.188 4.552 4.740 0.000 0.000 0.184 202 N C 1.781 177.294 175.510 0.006 0.000 1.016 202 N CA 1.340 54.397 53.050 0.010 0.000 0.872 202 N CB -0.047 38.441 38.487 0.002 0.000 0.973 202 N HN 0.633 nan 8.380 nan 0.000 0.433 203 E N 0.382 120.571 120.200 -0.018 0.000 2.099 203 E HA 0.043 4.393 4.350 0.000 0.000 0.191 203 E C 1.990 178.544 176.600 -0.077 0.000 0.962 203 E CA 0.008 56.377 56.400 -0.051 0.000 0.826 203 E CB 0.255 29.927 29.700 -0.046 0.000 0.788 203 E HN 0.105 nan 8.360 nan 0.000 0.461 204 R N 0.229 120.692 120.500 -0.061 0.000 2.092 204 R HA -0.057 4.283 4.340 0.000 0.000 0.231 204 R C 2.271 178.512 176.300 -0.099 0.000 1.119 204 R CA 1.546 57.598 56.100 -0.080 0.000 0.970 204 R CB -0.022 30.259 30.300 -0.031 0.000 0.864 204 R HN 0.075 nan 8.270 nan 0.000 0.440 205 S N 0.080 115.763 115.700 -0.029 0.000 2.356 205 S HA -0.106 4.364 4.470 0.000 0.000 0.223 205 S C 1.953 176.466 174.600 -0.144 0.000 1.032 205 S CA 1.610 59.804 58.200 -0.010 0.000 1.005 205 S CB -0.136 63.138 63.200 0.123 0.000 0.867 205 S HN 0.335 nan 8.310 nan 0.000 0.449 206 S N 1.565 117.226 115.700 -0.064 0.000 2.368 206 S HA -0.046 4.424 4.470 0.000 0.000 0.225 206 S C 1.839 176.354 174.600 -0.142 0.000 1.030 206 S CA 1.004 59.176 58.200 -0.048 0.000 0.999 206 S CB -0.456 62.715 63.200 -0.048 0.000 0.844 206 S HN 0.358 nan 8.310 nan 0.000 0.459 207 L N 1.867 122.951 121.223 -0.232 0.000 2.017 207 L HA -0.079 4.261 4.340 0.000 0.000 0.208 207 L C 2.117 178.718 176.870 -0.448 0.000 1.073 207 L CA 1.846 56.476 54.840 -0.351 0.000 0.745 207 L CB -0.592 41.225 42.059 -0.403 0.000 0.894 207 L HN 0.237 nan 8.230 nan 0.000 0.432 208 E N -0.465 119.447 120.200 -0.480 0.000 2.047 208 E HA -0.198 4.152 4.350 0.000 0.000 0.191 208 E C 2.188 178.419 176.600 -0.615 0.000 0.987 208 E CA 1.079 57.139 56.400 -0.567 0.000 0.799 208 E CB -0.343 29.050 29.700 -0.512 0.000 0.752 208 E HN 0.656 nan 8.360 nan 0.000 0.449 209 A N 0.923 123.300 122.820 -0.738 0.000 1.908 209 A HA -0.217 4.103 4.320 0.000 0.000 0.218 209 A C 1.976 179.499 177.584 -0.101 0.000 1.181 209 A CA 1.286 53.101 52.037 -0.370 0.000 0.627 209 A CB -0.714 18.210 19.000 -0.126 0.000 0.818 209 A HN 0.340 nan 8.150 nan 0.000 0.445 210 F N 1.330 121.155 119.950 -0.208 0.000 2.084 210 F HA -0.114 4.413 4.527 0.000 0.000 0.296 210 F C 2.095 177.730 175.800 -0.274 0.000 1.111 210 F CA 1.786 59.685 58.000 -0.168 0.000 1.224 210 F CB -0.290 38.659 39.000 -0.085 0.000 0.991 210 F HN 0.324 nan 8.300 nan 0.000 0.471 211 I N -1.179 119.158 120.570 -0.389 0.000 2.361 211 I HA -0.220 3.950 4.170 0.000 0.000 0.251 211 I C 1.906 177.826 176.117 -0.328 0.000 1.133 211 I CA 1.549 62.458 61.300 -0.652 0.000 1.413 211 I CB -0.860 36.326 38.000 -1.356 0.000 1.073 211 I HN 0.196 nan 8.210 nan 0.000 0.424 212 L N 0.372 121.467 121.223 -0.213 0.000 2.179 212 L HA -0.080 4.260 4.340 0.000 0.000 0.208 212 L C 2.582 179.377 176.870 -0.126 0.000 1.096 212 L CA 0.699 55.499 54.840 -0.066 0.000 0.779 212 L CB -0.477 41.589 42.059 0.011 0.000 0.922 212 L HN 0.344 nan 8.230 nan 0.000 0.443 213 L N -0.311 120.780 121.223 -0.219 0.000 2.042 213 L HA -0.245 4.095 4.340 0.000 0.000 0.210 213 L C 2.414 179.140 176.870 -0.240 0.000 1.076 213 L CA 1.953 56.626 54.840 -0.279 0.000 0.749 213 L CB -0.583 41.108 42.059 -0.615 0.000 0.893 213 L HN 0.240 nan 8.230 nan 0.000 0.432 214 C N -0.826 118.233 119.300 -0.402 0.000 2.457 214 C HA -0.026 4.434 4.460 0.000 0.000 0.278 214 C C 3.157 177.822 174.990 -0.541 0.000 1.309 214 C CA 0.810 59.540 59.018 -0.480 0.000 1.735 214 C CB -1.197 26.198 27.740 -0.576 0.000 1.992 214 C HN 0.813 nan 8.230 nan 0.000 0.493 215 S N 0.405 115.665 115.700 -0.733 0.000 2.414 215 S HA 0.194 4.664 4.470 0.000 0.000 0.227 215 S C 1.802 176.172 174.600 -0.383 0.000 1.022 215 S CA 1.642 59.112 58.200 -1.216 0.000 0.958 215 S CB -0.622 61.785 63.200 -1.323 0.000 0.797 215 S HN 1.120 nan 8.310 nan 0.000 0.493 216 G N 0.509 109.224 108.800 -0.143 0.000 2.175 216 G HA2 -0.162 3.798 3.960 0.000 0.000 0.265 216 G HA3 -0.162 3.798 3.960 0.000 0.000 0.265 216 G C 0.556 175.359 174.900 -0.161 0.000 0.979 216 G CA 0.581 45.586 45.100 -0.158 0.000 0.663 216 G HN 1.120 nan 8.290 nan 0.000 0.533 217 G N -1.146 107.543 108.800 -0.185 0.000 3.019 217 G HA2 0.814 4.774 3.960 0.000 0.000 0.152 217 G HA3 0.814 4.774 3.960 0.000 0.000 0.152 217 G C 0.313 175.155 174.900 -0.098 0.000 1.320 217 G CA 0.922 45.928 45.100 -0.157 0.000 1.013 217 G HN 1.368 nan 8.290 nan 0.000 0.593 218 T N -2.204 112.293 114.554 -0.096 0.000 2.940 218 T HA 0.470 4.820 4.350 0.000 0.000 0.288 218 T C 1.350 176.035 174.700 -0.026 0.000 1.045 218 T CA -0.705 61.376 62.100 -0.031 0.000 1.018 218 T CB 1.471 70.327 68.868 -0.020 0.000 1.151 218 T HN 0.144 nan 8.240 nan 0.000 0.529 219 L N 0.688 121.951 121.223 0.066 0.000 2.131 219 L HA -0.040 4.300 4.340 0.000 0.000 0.210 219 L C 2.719 179.636 176.870 0.078 0.000 1.092 219 L CA 1.248 56.171 54.840 0.139 0.000 0.759 219 L CB -0.463 41.692 42.059 0.160 0.000 0.903 219 L HN 0.768 nan 8.230 nan 0.000 0.435 220 E N 0.124 120.343 120.200 0.031 0.000 2.318 220 E HA -0.120 4.230 4.350 0.000 0.000 0.193 220 E C 1.081 177.671 176.600 -0.016 0.000 0.998 220 E CA 0.834 57.244 56.400 0.017 0.000 0.859 220 E CB -0.563 29.148 29.700 0.017 0.000 0.812 220 E HN 0.625 nan 8.360 nan 0.000 0.492 221 N N 0.430 119.097 118.700 -0.054 0.000 2.236 221 N HA 0.017 4.757 4.740 0.000 0.000 0.196 221 N C -0.404 175.043 175.510 -0.105 0.000 1.114 221 N CA -0.277 52.734 53.050 -0.065 0.000 0.859 221 N CB 0.378 38.829 38.487 -0.059 0.000 0.982 221 N HN -0.187 nan 8.380 nan 0.000 0.493 222 S N 0.041 115.607 115.700 -0.224 0.000 2.442 222 S HA 0.252 4.722 4.470 0.000 0.000 0.297 222 S C -0.403 174.052 174.600 -0.242 0.000 1.131 222 S CA -0.828 57.135 58.200 -0.395 0.000 1.092 222 S CB 1.262 63.760 63.200 -1.170 0.000 0.998 222 S HN 0.290 nan 8.310 nan 0.000 0.478 223 S N 3.236 118.967 115.700 0.052 0.000 2.466 223 S HA 0.086 4.556 4.470 0.000 0.000 0.286 223 S C 1.015 175.879 174.600 0.441 0.000 1.221 223 S CA -0.581 57.726 58.200 0.179 0.000 1.091 223 S CB -0.511 62.727 63.200 0.064 0.000 0.956 223 S HN 0.614 nan 8.310 nan 0.000 0.501 224 F N 5.862 126.047 119.950 0.392 0.000 2.087 224 F HA -0.064 4.463 4.527 0.000 0.000 0.299 224 F C 2.071 178.101 175.800 0.383 0.000 1.100 224 F CA 2.295 60.576 58.000 0.468 0.000 1.226 224 F CB -1.023 38.111 39.000 0.223 0.000 0.983 224 F HN 0.671 nan 8.300 nan 0.000 0.479 225 G N -0.816 108.032 108.800 0.081 0.000 2.442 225 G HA2 -0.340 3.620 3.960 0.000 0.000 0.219 225 G HA3 -0.340 3.620 3.960 0.000 0.000 0.219 225 G C 1.471 176.503 174.900 0.219 0.000 1.141 225 G CA 1.002 46.098 45.100 -0.008 0.000 0.763 225 G HN 0.438 nan 8.290 nan 0.000 0.554 226 E N -0.041 120.252 120.200 0.155 0.000 2.077 226 E HA -0.122 4.228 4.350 0.000 0.000 0.193 226 E C 1.959 178.665 176.600 0.176 0.000 0.989 226 E CA 0.731 57.140 56.400 0.014 0.000 0.800 226 E CB -0.490 28.887 29.700 -0.539 0.000 0.746 226 E HN 0.365 nan 8.360 nan 0.000 0.452 227 F N 0.618 120.748 119.950 0.299 0.000 2.095 227 F HA -0.158 4.369 4.527 0.000 0.000 0.298 227 F C 1.878 177.821 175.800 0.238 0.000 1.104 227 F CA 1.501 59.691 58.000 0.316 0.000 1.232 227 F CB -0.291 38.947 39.000 0.397 0.000 0.987 227 F HN 0.047 nan 8.300 nan 0.000 0.475 228 L N -0.474 120.779 121.223 0.049 0.000 2.081 228 L HA -0.313 4.027 4.340 0.000 0.000 0.212 228 L C 2.701 179.612 176.870 0.068 0.000 1.080 228 L CA 1.776 56.603 54.840 -0.022 0.000 0.754 228 L CB -1.040 40.969 42.059 -0.084 0.000 0.893 228 L HN 0.358 nan 8.230 nan 0.000 0.433 229 H N -0.864 118.234 119.070 0.047 0.000 2.353 229 H HA -0.220 4.336 4.556 0.000 0.000 0.300 229 H C 2.029 177.338 175.328 -0.032 0.000 1.090 229 H CA 2.096 58.126 56.048 -0.030 0.000 1.327 229 H CB 0.001 29.789 29.762 0.043 0.000 1.383 229 H HN 0.299 nan 8.280 nan 0.000 0.508 230 W N 0.781 122.008 121.300 -0.121 0.000 2.355 230 W HA -0.178 4.482 4.660 0.000 0.000 0.309 230 W C 2.779 179.090 176.519 -0.348 0.000 1.206 230 W CA 0.684 57.921 57.345 -0.179 0.000 1.284 230 W CB -1.383 28.087 29.460 0.017 0.000 1.145 230 W HN 0.352 nan 8.180 nan 0.000 0.502 231 W N 1.056 122.139 121.300 -0.362 0.000 2.317 231 W HA -0.295 4.365 4.660 0.000 0.000 0.318 231 W C 2.107 178.292 176.519 -0.556 0.000 1.227 231 W CA 2.977 60.090 57.345 -0.388 0.000 1.269 231 W CB -0.912 28.347 29.460 -0.334 0.000 1.155 231 W HN -0.092 nan 8.180 nan 0.000 0.484 232 A N 0.833 123.295 122.820 -0.597 0.000 1.865 232 A HA -0.286 4.034 4.320 0.000 0.000 0.217 232 A C 1.951 178.791 177.584 -1.239 0.000 1.191 232 A CA 2.481 53.684 52.037 -1.389 0.000 0.623 232 A CB -1.195 17.291 19.000 -0.855 0.000 0.826 232 A HN 0.295 nan 8.150 nan 0.000 0.444 233 M N 0.498 119.476 119.600 -1.037 0.000 2.143 233 M HA -0.122 4.358 4.480 0.000 0.000 0.258 233 M C 1.904 177.709 176.300 -0.825 0.000 1.071 233 M CA 1.800 56.386 55.300 -1.191 0.000 1.088 233 M CB -1.683 29.745 32.600 -1.953 0.000 1.360 233 M HN 0.384 nan 8.290 nan 0.000 0.404 234 S N -0.830 114.512 115.700 -0.596 0.000 2.603 234 S HA 0.318 4.788 4.470 0.000 0.000 0.220 234 S C 1.383 175.765 174.600 -0.363 0.000 0.967 234 S CA 0.612 58.653 58.200 -0.265 0.000 0.920 234 S CB -0.003 63.070 63.200 -0.212 0.000 0.773 234 S HN 0.746 nan 8.310 nan 0.000 0.529 235 G N 0.757 109.250 108.800 -0.511 0.000 2.163 235 G HA2 -0.280 3.680 3.960 0.000 0.000 0.213 235 G HA3 -0.280 3.680 3.960 0.000 0.000 0.213 235 G C 0.211 174.932 174.900 -0.299 0.000 0.991 235 G CA -0.301 44.605 45.100 -0.323 0.000 0.653 235 G HN 0.453 nan 8.290 nan 0.000 0.518 236 Y N -1.104 118.717 120.300 -0.799 0.000 4.177 236 Y HA -0.255 4.295 4.550 0.000 0.000 0.227 236 Y C 1.210 176.344 175.900 -1.277 0.000 1.154 236 Y CA 2.038 59.408 58.100 -1.215 0.000 1.887 236 Y CB -2.393 35.827 38.460 -0.399 0.000 1.594 236 Y HN 1.288 nan 8.280 nan 0.000 0.668 237 T N -5.264 108.590 114.554 -1.167 0.000 2.903 237 T HA 0.458 4.808 4.350 0.000 0.000 0.299 237 T C 0.340 174.665 174.700 -0.624 0.000 1.093 237 T CA -0.428 61.249 62.100 -0.705 0.000 1.002 237 T CB 1.611 70.331 68.868 -0.246 0.000 1.127 237 T HN 0.059 nan 8.240 nan 0.000 0.488 238 Y N 1.640 121.842 120.300 -0.163 0.000 2.081 238 Y HA -0.177 4.373 4.550 0.000 0.000 0.280 238 Y C 2.663 178.480 175.900 -0.137 0.000 1.163 238 Y CA 2.475 60.566 58.100 -0.016 0.000 1.135 238 Y CB -0.417 38.050 38.460 0.011 0.000 0.970 238 Y HN 0.775 nan 8.280 nan 0.000 0.498 239 Q N 0.265 119.888 119.800 -0.294 0.000 2.084 239 Q HA -0.067 4.273 4.340 0.000 0.000 0.202 239 Q C 2.494 178.247 176.000 -0.413 0.000 0.978 239 Q CA 2.053 57.611 55.803 -0.410 0.000 0.844 239 Q CB -1.177 27.436 28.738 -0.209 0.000 0.898 239 Q HN 0.569 nan 8.270 nan 0.000 0.426 240 G N -0.561 108.031 108.800 -0.347 0.000 2.440 240 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 240 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 240 G C 1.610 176.286 174.900 -0.373 0.000 1.154 240 G CA 1.067 45.954 45.100 -0.354 0.000 0.767 240 G HN 0.497 nan 8.290 nan 0.000 0.552 241 C N 0.558 119.666 119.300 -0.320 0.000 2.432 241 C HA -0.004 4.456 4.460 0.000 0.000 0.277 241 C C 2.993 177.845 174.990 -0.231 0.000 1.249 241 C CA 0.958 59.887 59.018 -0.148 0.000 1.725 241 C CB -0.650 27.191 27.740 0.168 0.000 2.028 241 C HN 0.378 nan 8.230 nan 0.000 0.477 242 M N 0.926 120.281 119.600 -0.409 0.000 2.108 242 M HA -0.112 4.368 4.480 0.000 0.000 0.261 242 M C 1.641 177.659 176.300 -0.470 0.000 1.066 242 M CA 1.679 56.716 55.300 -0.439 0.000 1.107 242 M CB -1.630 30.595 32.600 -0.625 0.000 1.356 242 M HN 0.354 nan 8.290 nan 0.000 0.406 243 D N -0.175 119.905 120.400 -0.534 0.000 2.117 243 D HA -0.119 4.521 4.640 0.000 0.000 0.197 243 D C 2.178 178.014 176.300 -0.773 0.000 0.987 243 D CA 1.218 54.820 54.000 -0.663 0.000 0.829 243 D CB -0.252 40.097 40.800 -0.750 0.000 0.961 243 D HN 0.361 nan 8.370 nan 0.000 0.460 244 C N -0.299 118.575 119.300 -0.710 0.000 2.504 244 C HA 0.178 4.638 4.460 0.000 0.000 0.279 244 C C 2.632 177.356 174.990 -0.443 0.000 1.358 244 C CA -0.054 58.566 59.018 -0.663 0.000 1.747 244 C CB -0.533 26.871 27.740 -0.559 0.000 2.037 244 C HN 0.325 nan 8.230 nan 0.000 0.503 245 L N -1.008 120.023 121.223 -0.320 0.000 2.463 245 L HA 0.250 4.590 4.340 0.000 0.000 0.219 245 L C 1.635 178.369 176.870 -0.227 0.000 1.088 245 L CA 0.908 55.645 54.840 -0.170 0.000 0.849 245 L CB 0.017 42.038 42.059 -0.064 0.000 1.012 245 L HN 0.302 nan 8.230 nan 0.000 0.468 246 M N -2.220 117.079 119.600 -0.502 0.000 3.836 246 M HA 0.111 4.591 4.480 0.000 0.000 0.525 246 M C 0.351 176.018 176.300 -1.055 0.000 1.740 246 M CA 0.077 54.658 55.300 -1.198 0.000 0.680 246 M CB 0.670 32.700 32.600 -0.951 0.000 1.532 246 M HN -0.133 nan 8.290 nan 0.000 0.574 247 S N -0.486 114.786 115.700 -0.714 0.000 2.545 247 S HA 0.285 4.755 4.470 0.000 0.000 0.232 247 S C -0.576 173.672 174.600 -0.586 0.000 1.070 247 S CA 0.432 58.197 58.200 -0.725 0.000 0.923 247 S CB 0.473 62.947 63.200 -1.210 0.000 0.806 247 S HN 0.426 nan 8.310 nan 0.000 0.506 248 Y N 2.459 122.831 120.300 0.121 0.000 2.391 248 Y HA 0.613 5.163 4.550 0.000 0.000 0.341 248 Y C -0.133 175.859 175.900 0.154 0.000 0.965 248 Y CA -1.673 56.507 58.100 0.133 0.000 1.067 248 Y CB 1.159 39.625 38.460 0.009 0.000 1.199 248 Y HN 0.024 nan 8.280 nan 0.000 0.450 249 K N 0.844 121.360 120.400 0.193 0.000 2.480 249 K HA 0.673 4.993 4.320 0.000 0.000 0.258 249 K C -1.601 174.911 176.600 -0.147 0.000 0.990 249 K CA -0.889 55.344 56.287 -0.091 0.000 0.857 249 K CB 1.612 34.061 32.500 -0.085 0.000 1.384 249 K HN 0.280 nan 8.250 nan 0.000 0.446 250 F N 2.277 122.209 119.950 -0.030 0.000 2.529 250 F HA 0.166 4.693 4.527 0.000 0.000 0.365 250 F C 1.617 177.376 175.800 -0.069 0.000 1.102 250 F CA -0.135 57.834 58.000 -0.052 0.000 1.271 250 F CB 0.814 39.778 39.000 -0.060 0.000 1.120 250 F HN 0.590 nan 8.300 nan 0.000 0.579 251 K N 0.859 121.345 120.400 0.143 0.000 2.152 251 K HA -0.172 4.148 4.320 0.000 0.000 0.206 251 K C 0.528 177.117 176.600 -0.018 0.000 1.048 251 K CA 1.658 57.966 56.287 0.034 0.000 0.933 251 K CB -0.012 32.504 32.500 0.027 0.000 0.721 251 K HN 0.564 nan 8.250 nan 0.000 0.447 252 D N -0.769 119.641 120.400 0.017 0.000 2.369 252 D HA 0.137 4.777 4.640 0.000 0.000 0.211 252 D C 0.265 176.536 176.300 -0.049 0.000 1.077 252 D CA 0.416 54.390 54.000 -0.042 0.000 0.842 252 D CB 0.859 41.630 40.800 -0.049 0.000 0.947 252 D HN 0.280 nan 8.370 nan 0.000 0.509 253 G N 1.291 110.097 108.800 0.011 0.000 2.705 253 G HA2 -0.239 3.721 3.960 0.000 0.000 0.686 253 G HA3 -0.239 3.721 3.960 0.000 0.000 0.686 253 G C 0.601 175.555 174.900 0.091 0.000 1.285 253 G CA -0.614 44.504 45.100 0.030 0.000 0.800 253 G HN -0.063 nan 8.290 nan 0.000 0.611 254 Q N 0.184 120.120 119.800 0.227 0.000 2.152 254 Q HA -0.138 4.202 4.340 0.000 0.000 0.206 254 Q C 2.933 179.084 176.000 0.252 0.000 0.985 254 Q CA 2.065 58.077 55.803 0.348 0.000 0.863 254 Q CB -0.356 28.647 28.738 0.441 0.000 0.904 254 Q HN 0.650 nan 8.270 nan 0.000 0.422 255 S N 0.597 116.389 115.700 0.153 0.000 2.399 255 S HA -0.123 4.347 4.470 0.000 0.000 0.231 255 S C 1.930 176.540 174.600 0.017 0.000 1.022 255 S CA 0.949 59.203 58.200 0.091 0.000 0.983 255 S CB -0.121 63.130 63.200 0.084 0.000 0.803 255 S HN 0.518 nan 8.310 nan 0.000 0.480 256 A N 0.557 123.362 122.820 -0.024 0.000 1.969 256 A HA -0.005 4.315 4.320 0.000 0.000 0.218 256 A C 1.826 179.365 177.584 -0.076 0.000 1.169 256 A CA 1.012 53.004 52.037 -0.074 0.000 0.635 256 A CB -0.638 18.298 19.000 -0.107 0.000 0.810 256 A HN 0.495 nan 8.150 nan 0.000 0.445 257 F N 1.138 120.901 119.950 -0.311 0.000 2.084 257 F HA 0.005 4.532 4.527 0.000 0.000 0.296 257 F C 2.542 178.439 175.800 0.161 0.000 1.111 257 F CA 0.909 58.752 58.000 -0.262 0.000 1.224 257 F CB -0.861 37.808 39.000 -0.553 0.000 0.991 257 F HN 0.239 nan 8.300 nan 0.000 0.471 258 A N 0.791 123.720 122.820 0.181 0.000 1.948 258 A HA -0.230 4.090 4.320 0.000 0.000 0.220 258 A C 2.296 179.908 177.584 0.047 0.000 1.177 258 A CA 1.618 53.672 52.037 0.028 0.000 0.636 258 A CB -0.733 18.130 19.000 -0.229 0.000 0.815 258 A HN 0.312 nan 8.150 nan 0.000 0.449 259 R N -0.446 120.042 120.500 -0.021 0.000 2.170 259 R HA -0.086 4.254 4.340 0.000 0.000 0.242 259 R C 2.092 178.366 176.300 -0.043 0.000 1.145 259 R CA 1.090 57.178 56.100 -0.018 0.000 0.984 259 R CB -0.588 29.677 30.300 -0.058 0.000 0.869 259 R HN 0.483 nan 8.270 nan 0.000 0.455 260 R N -0.682 119.669 120.500 -0.250 0.000 2.090 260 R HA -0.010 4.330 4.340 0.000 0.000 0.228 260 R C 2.312 178.244 176.300 -0.613 0.000 1.110 260 R CA 0.986 56.694 56.100 -0.653 0.000 0.973 260 R CB -0.730 28.744 30.300 -1.376 0.000 0.869 260 R HN 0.267 nan 8.270 nan 0.000 0.440 261 F N -0.593 119.145 119.950 -0.353 0.000 2.186 261 F HA -0.170 4.357 4.527 0.000 0.000 0.299 261 F C 2.485 178.295 175.800 0.017 0.000 1.090 261 F CA 0.745 58.721 58.000 -0.040 0.000 1.307 261 F CB -0.409 38.600 39.000 0.015 0.000 1.019 261 F HN 0.159 nan 8.300 nan 0.000 0.489 262 W N 1.727 123.046 121.300 0.032 0.000 2.379 262 W HA -0.153 4.507 4.660 0.000 0.000 0.307 262 W C 1.870 178.365 176.519 -0.041 0.000 1.200 262 W CA 1.446 58.774 57.345 -0.028 0.000 1.297 262 W CB -0.050 29.355 29.460 -0.092 0.000 1.140 262 W HN -0.005 nan 8.180 nan 0.000 0.507 263 E N 0.502 120.715 120.200 0.021 0.000 2.110 263 E HA -0.256 4.094 4.350 0.000 0.000 0.193 263 E C 1.768 178.309 176.600 -0.099 0.000 0.988 263 E CA 1.667 58.027 56.400 -0.066 0.000 0.804 263 E CB -0.747 28.935 29.700 -0.030 0.000 0.745 263 E HN 0.551 nan 8.360 nan 0.000 0.458 264 E N 0.891 121.056 120.200 -0.059 0.000 2.031 264 E HA -0.163 4.187 4.350 0.000 0.000 0.193 264 E C 2.060 178.630 176.600 -0.050 0.000 0.994 264 E CA 1.177 57.572 56.400 -0.009 0.000 0.800 264 E CB -0.074 29.683 29.700 0.096 0.000 0.752 264 E HN 0.158 nan 8.360 nan 0.000 0.447 265 A N 1.294 124.062 122.820 -0.088 0.000 1.883 265 A HA -0.187 4.133 4.320 0.000 0.000 0.217 265 A C 2.449 179.904 177.584 -0.216 0.000 1.186 265 A CA 2.252 54.204 52.037 -0.142 0.000 0.624 265 A CB -1.040 17.845 19.000 -0.193 0.000 0.822 265 A HN 0.458 nan 8.150 nan 0.000 0.444 266 A N -0.642 121.958 122.820 -0.367 0.000 1.902 266 A HA 0.122 4.442 4.320 0.000 0.000 0.217 266 A C 2.398 179.906 177.584 -0.127 0.000 1.181 266 A CA 1.865 53.721 52.037 -0.302 0.000 0.623 266 A CB -1.407 17.351 19.000 -0.404 0.000 0.818 266 A HN 0.862 nan 8.150 nan 0.000 0.443 267 G N -0.540 108.199 108.800 -0.102 0.000 2.498 267 G HA2 -0.165 3.795 3.960 0.000 0.000 0.219 267 G HA3 -0.165 3.795 3.960 0.000 0.000 0.219 267 G C 1.560 176.443 174.900 -0.029 0.000 1.119 267 G CA 1.822 46.894 45.100 -0.047 0.000 0.766 267 G HN 0.726 nan 8.290 nan 0.000 0.552 268 T N -2.565 111.969 114.554 -0.032 0.000 3.055 268 T HA 0.289 4.639 4.350 0.000 0.000 0.265 268 T C 2.094 176.791 174.700 -0.004 0.000 1.111 268 T CA 0.995 63.087 62.100 -0.012 0.000 1.118 268 T CB -0.213 68.654 68.868 -0.003 0.000 0.909 268 T HN 1.257 nan 8.240 nan 0.000 0.501 269 G N 1.831 110.628 108.800 -0.005 0.000 2.166 269 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 269 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 269 G C 0.805 175.727 174.900 0.035 0.000 0.986 269 G CA 0.453 45.561 45.100 0.013 0.000 0.683 269 G HN 0.599 nan 8.290 nan 0.000 0.527 270 R N -1.192 119.334 120.500 0.043 0.000 2.468 270 R HA 0.380 4.720 4.340 0.000 0.000 0.280 270 R C 0.293 176.680 176.300 0.145 0.000 0.963 270 R CA -0.355 55.799 56.100 0.090 0.000 1.083 270 R CB 0.471 30.817 30.300 0.077 0.000 1.200 270 R HN 0.329 nan 8.270 nan 0.000 0.541 271 L N 0.620 121.901 121.223 0.096 0.000 2.272 271 L HA 0.533 4.873 4.340 0.000 0.000 0.289 271 L C -0.142 176.810 176.870 0.137 0.000 1.032 271 L CA -0.351 54.529 54.840 0.067 0.000 0.810 271 L CB 1.468 43.471 42.059 -0.092 0.000 1.205 271 L HN 0.007 nan 8.230 nan 0.000 0.422 272 G N 4.120 112.968 108.800 0.079 0.000 2.389 272 G HA2 0.554 4.514 3.960 0.000 0.000 0.328 272 G HA3 0.554 4.514 3.960 0.000 0.000 0.328 272 G C -1.766 173.064 174.900 -0.118 0.000 1.133 272 G CA -0.349 44.708 45.100 -0.072 0.000 0.891 272 G HN 0.743 nan 8.290 nan 0.000 0.485 273 Y N -0.987 119.250 120.300 -0.106 0.000 2.544 273 Y HA 0.701 5.251 4.550 0.000 0.000 0.342 273 Y C -1.257 174.579 175.900 -0.105 0.000 1.062 273 Y CA -1.703 56.340 58.100 -0.095 0.000 1.023 273 Y CB 1.676 40.289 38.460 0.256 0.000 1.308 273 Y HN 0.428 nan 8.280 nan 0.000 0.457 274 V N 4.347 124.192 119.914 -0.115 0.000 2.524 274 V HA 0.422 4.542 4.120 0.000 0.000 0.297 274 V C -0.802 175.143 176.094 -0.248 0.000 1.035 274 V CA -0.748 61.491 62.300 -0.101 0.000 0.867 274 V CB 0.884 32.590 31.823 -0.194 0.000 1.004 274 V HN 0.756 nan 8.190 nan 0.000 0.426 275 F N 1.569 121.541 119.950 0.037 0.000 2.380 275 F HA 0.663 5.190 4.527 0.000 0.000 0.319 275 F C 1.501 177.259 175.800 -0.070 0.000 1.113 275 F CA 0.628 58.591 58.000 -0.063 0.000 1.056 275 F CB 1.158 40.103 39.000 -0.091 0.000 1.289 275 F HN 0.731 nan 8.300 nan 0.000 0.515 276 G N 0.209 109.058 108.800 0.081 0.000 2.283 276 G HA2 -0.305 3.655 3.960 0.000 0.000 0.280 276 G HA3 -0.305 3.655 3.960 0.000 0.000 0.280 276 G C -0.291 174.595 174.900 -0.022 0.000 1.029 276 G CA 0.172 45.279 45.100 0.012 0.000 0.840 276 G HN 0.837 nan 8.290 nan 0.000 0.505 277 C N 2.185 121.428 119.300 -0.094 0.000 2.955 277 C HA 0.558 5.018 4.460 0.000 0.000 0.262 277 C C -1.788 173.129 174.990 -0.122 0.000 1.279 277 C CA -2.297 56.675 59.018 -0.077 0.000 1.615 277 C CB 0.013 27.688 27.740 -0.108 0.000 1.755 277 C HN 0.423 nan 8.230 nan 0.000 0.452 278 P HA 0.121 nan 4.420 nan 0.000 0.271 278 P C -0.160 177.141 177.300 0.002 0.000 1.226 278 P CA 0.551 63.604 63.100 -0.079 0.000 0.765 278 P CB 0.839 32.591 31.700 0.087 0.000 0.835 279 V N 5.475 125.382 119.914 -0.012 0.000 2.546 279 V HA 0.191 4.311 4.120 0.000 0.000 0.284 279 V C 1.863 177.970 176.094 0.021 0.000 1.050 279 V CA 0.047 62.351 62.300 0.008 0.000 0.981 279 V CB 0.998 32.810 31.823 -0.018 0.000 0.990 279 V HN 0.635 nan 8.190 nan 0.000 0.474 280 R N 2.206 122.708 120.500 0.003 0.000 2.316 280 R HA 0.333 4.673 4.340 0.000 0.000 0.201 280 R C 0.441 176.684 176.300 -0.096 0.000 0.888 280 R CA 0.409 56.497 56.100 -0.019 0.000 1.041 280 R CB 0.573 30.876 30.300 0.006 0.000 1.115 280 R HN 0.671 nan 8.270 nan 0.000 0.559 281 S N -0.460 115.174 115.700 -0.111 0.000 2.547 281 S HA 0.605 5.075 4.470 0.000 0.000 0.270 281 S C -1.120 173.396 174.600 -0.140 0.000 1.150 281 S CA -0.755 57.337 58.200 -0.180 0.000 0.850 281 S CB 2.528 65.670 63.200 -0.097 0.000 1.118 281 S HN -0.056 nan 8.310 nan 0.000 0.461 282 V N 1.826 121.637 119.914 -0.172 0.000 2.524 282 V HA 0.570 4.690 4.120 0.000 0.000 0.297 282 V C -0.943 175.214 176.094 0.105 0.000 1.035 282 V CA -0.582 61.721 62.300 0.006 0.000 0.867 282 V CB 1.587 33.480 31.823 0.116 0.000 1.004 282 V HN 0.878 nan 8.190 nan 0.000 0.426 283 V N 3.920 123.891 119.914 0.095 0.000 2.417 283 V HA 0.378 4.498 4.120 0.000 0.000 0.291 283 V C 0.200 176.352 176.094 0.097 0.000 1.024 283 V CA -0.792 61.570 62.300 0.104 0.000 0.861 283 V CB 1.801 33.664 31.823 0.065 0.000 0.985 283 V HN 0.903 nan 8.190 nan 0.000 0.436 284 N N 3.871 122.630 118.700 0.098 0.000 2.420 284 N HA 0.228 4.968 4.740 0.000 0.000 0.262 284 N C -0.092 175.441 175.510 0.037 0.000 1.144 284 N CA -0.083 52.998 53.050 0.052 0.000 0.952 284 N CB 0.962 39.454 38.487 0.007 0.000 1.081 284 N HN 0.716 nan 8.380 nan 0.000 0.480 285 E N 1.311 121.532 120.200 0.035 0.000 2.518 285 E HA 0.325 4.675 4.350 0.000 0.000 0.248 285 E C -0.312 176.300 176.600 0.021 0.000 1.028 285 E CA -0.884 55.534 56.400 0.029 0.000 0.922 285 E CB 1.092 30.812 29.700 0.033 0.000 1.299 285 E HN 0.343 nan 8.360 nan 0.000 0.457 286 R N 1.817 122.328 120.500 0.020 0.000 2.343 286 R HA 0.008 4.348 4.340 0.000 0.000 0.326 286 R C -0.630 175.682 176.300 0.020 0.000 1.055 286 R CA 0.231 56.341 56.100 0.016 0.000 0.961 286 R CB 0.005 30.314 30.300 0.015 0.000 0.978 286 R HN 0.535 nan 8.270 nan 0.000 0.443 287 D N -0.140 120.271 120.400 0.019 0.000 3.821 287 D HA -0.243 4.397 4.640 0.000 0.000 0.204 287 D C 0.125 176.443 176.300 0.030 0.000 1.303 287 D CA 2.337 56.351 54.000 0.023 0.000 2.340 287 D CB -0.905 39.910 40.800 0.026 0.000 1.233 287 D HN 0.625 nan 8.370 nan 0.000 0.420 288 A N 0.438 123.280 122.820 0.036 0.000 2.264 288 A HA 0.773 5.093 4.320 0.000 0.000 0.304 288 A C -0.047 177.566 177.584 0.049 0.000 1.100 288 A CA 0.548 52.614 52.037 0.049 0.000 0.839 288 A CB 1.360 20.394 19.000 0.057 0.000 1.121 288 A HN 0.720 nan 8.150 nan 0.000 0.496 289 A N 0.475 123.332 122.820 0.061 0.000 2.386 289 A HA 0.712 5.032 4.320 0.000 0.000 0.311 289 A C -0.166 177.466 177.584 0.079 0.000 1.068 289 A CA -0.629 51.446 52.037 0.064 0.000 0.743 289 A CB 0.991 20.026 19.000 0.057 0.000 1.258 289 A HN 0.910 nan 8.150 nan 0.000 0.429 290 R N 1.209 121.755 120.500 0.077 0.000 2.540 290 R HA 0.724 5.064 4.340 0.000 0.000 0.287 290 R C -1.635 174.716 176.300 0.086 0.000 0.980 290 R CA -0.317 55.833 56.100 0.082 0.000 0.966 290 R CB 1.500 31.836 30.300 0.059 0.000 1.106 290 R HN 0.495 nan 8.270 nan 0.000 0.480 291 V N 2.767 122.751 119.914 0.116 0.000 2.623 291 V HA 0.380 4.500 4.120 0.000 0.000 0.304 291 V C -0.876 175.316 176.094 0.165 0.000 1.054 291 V CA -0.717 61.657 62.300 0.124 0.000 0.882 291 V CB 2.245 34.141 31.823 0.121 0.000 1.002 291 V HN 0.883 nan 8.190 nan 0.000 0.424 292 T N 3.609 118.220 114.554 0.095 0.000 2.824 292 T HA 0.751 5.101 4.350 0.000 0.000 0.282 292 T C 0.156 174.905 174.700 0.081 0.000 0.993 292 T CA -0.284 61.858 62.100 0.071 0.000 0.967 292 T CB 1.820 70.697 68.868 0.016 0.000 0.960 292 T HN 0.939 nan 8.240 nan 0.000 0.441 293 A N 2.420 125.308 122.820 0.114 0.000 2.313 293 A HA 0.425 4.745 4.320 0.000 0.000 0.261 293 A C 1.534 179.153 177.584 0.057 0.000 1.090 293 A CA -0.481 51.617 52.037 0.102 0.000 0.807 293 A CB 0.303 19.396 19.000 0.155 0.000 1.055 293 A HN 0.942 nan 8.150 nan 0.000 0.492 294 R N -0.198 120.336 120.500 0.057 0.000 2.139 294 R HA -0.183 4.157 4.340 0.000 0.000 0.243 294 R C 0.879 177.203 176.300 0.041 0.000 1.145 294 R CA 1.974 58.104 56.100 0.051 0.000 0.976 294 R CB -0.170 30.173 30.300 0.071 0.000 0.866 294 R HN 0.929 nan 8.270 nan 0.000 0.449 295 D N -2.291 118.136 120.400 0.044 0.000 2.349 295 D HA 0.042 4.682 4.640 0.000 0.000 0.215 295 D C 1.161 177.470 176.300 0.015 0.000 1.016 295 D CA 1.003 55.022 54.000 0.032 0.000 0.870 295 D CB 0.567 41.390 40.800 0.038 0.000 0.917 295 D HN 0.285 nan 8.370 nan 0.000 0.524 296 G N -0.319 108.486 108.800 0.009 0.000 2.705 296 G HA2 -0.204 3.756 3.960 0.000 0.000 0.193 296 G HA3 -0.204 3.756 3.960 0.000 0.000 0.193 296 G C 0.207 175.070 174.900 -0.062 0.000 1.015 296 G CA -0.502 44.587 45.100 -0.018 0.000 0.743 296 G HN 0.296 nan 8.290 nan 0.000 0.476 297 R N 1.404 121.845 120.500 -0.098 0.000 2.570 297 R HA 0.455 4.795 4.340 0.000 0.000 0.277 297 R C -0.258 175.804 176.300 -0.397 0.000 1.039 297 R CA 0.532 56.459 56.100 -0.287 0.000 1.065 297 R CB 0.464 30.572 30.300 -0.320 0.000 0.964 297 R HN 0.421 nan 8.270 nan 0.000 0.428 298 E N 2.092 121.965 120.200 -0.546 0.000 2.212 298 E HA 0.396 4.746 4.350 0.000 0.000 0.268 298 E C -1.182 175.014 176.600 -0.673 0.000 0.902 298 E CA -0.559 55.612 56.400 -0.381 0.000 0.779 298 E CB 1.497 31.096 29.700 -0.169 0.000 1.172 298 E HN 0.257 nan 8.360 nan 0.000 0.409 299 F N 0.641 120.609 119.950 0.029 0.000 2.578 299 F HA 0.482 5.009 4.527 -0.000 0.000 0.311 299 F C -0.594 175.247 175.800 0.068 0.000 1.094 299 F CA -0.944 57.087 58.000 0.052 0.000 0.923 299 F CB 1.602 40.588 39.000 -0.024 0.000 1.230 299 F HN 0.096 nan 8.300 nan 0.000 0.450 300 V N 1.523 121.625 119.914 0.313 0.000 2.789 300 V HA 0.985 5.105 4.120 0.000 0.000 0.311 300 V C -0.668 175.583 176.094 0.263 0.000 1.073 300 V CA -0.943 61.490 62.300 0.221 0.000 0.921 300 V CB 1.592 33.510 31.823 0.159 0.000 1.009 300 V HN 1.048 nan 8.190 nan 0.000 0.426 301 A N 2.550 125.479 122.820 0.182 0.000 2.605 301 A HA 0.621 4.941 4.320 0.000 0.000 0.294 301 A C 0.105 177.754 177.584 0.109 0.000 1.062 301 A CA -0.661 51.483 52.037 0.178 0.000 0.682 301 A CB 1.513 20.617 19.000 0.173 0.000 1.278 301 A HN 0.726 nan 8.150 nan 0.000 0.410 302 K N -0.601 119.859 120.400 0.100 0.000 2.362 302 K HA 0.007 4.327 4.320 0.000 0.000 0.200 302 K C 0.201 176.823 176.600 0.037 0.000 1.046 302 K CA 1.039 57.365 56.287 0.066 0.000 0.952 302 K CB -0.003 32.540 32.500 0.071 0.000 0.753 302 K HN 0.383 nan 8.250 nan 0.000 0.466 303 R N -0.405 120.111 120.500 0.027 0.000 2.604 303 R HA 0.354 4.694 4.340 0.000 0.000 0.270 303 R C -1.872 174.417 176.300 -0.018 0.000 1.052 303 R CA -0.672 55.421 56.100 -0.011 0.000 0.902 303 R CB 1.985 32.252 30.300 -0.055 0.000 1.233 303 R HN -0.233 nan 8.270 nan 0.000 0.455 304 V N 2.879 122.772 119.914 -0.035 0.000 2.531 304 V HA 0.486 4.606 4.120 0.000 0.000 0.301 304 V C -0.614 175.427 176.094 -0.088 0.000 1.034 304 V CA -0.891 61.378 62.300 -0.051 0.000 0.865 304 V CB 2.230 34.036 31.823 -0.030 0.000 0.995 304 V HN 0.448 nan 8.190 nan 0.000 0.424 305 V N 4.076 123.939 119.914 -0.084 0.000 2.318 305 V HA 0.246 4.366 4.120 0.000 0.000 0.271 305 V C 0.165 176.215 176.094 -0.073 0.000 1.030 305 V CA -0.373 61.879 62.300 -0.080 0.000 0.844 305 V CB 1.220 33.012 31.823 -0.052 0.000 1.015 305 V HN 1.010 nan 8.190 nan 0.000 0.460 306 C N 5.378 124.610 119.300 -0.113 0.000 2.265 306 C HA 0.527 4.987 4.460 0.000 0.000 0.332 306 C C 1.564 176.633 174.990 0.132 0.000 1.248 306 C CA 0.210 59.211 59.018 -0.028 0.000 1.727 306 C CB 0.077 27.744 27.740 -0.122 0.000 2.348 306 C HN 1.003 nan 8.230 nan 0.000 0.519 307 T N 3.739 118.364 114.554 0.117 0.000 3.174 307 T HA 0.312 4.662 4.350 0.000 0.000 0.269 307 T C 0.341 175.127 174.700 0.143 0.000 1.017 307 T CA -0.205 61.965 62.100 0.116 0.000 0.899 307 T CB -0.489 68.389 68.868 0.016 0.000 1.077 307 T HN 0.641 nan 8.240 nan 0.000 0.552 308 I N 3.216 123.928 120.570 0.237 0.000 2.683 308 I HA 0.202 4.372 4.170 0.000 0.000 0.286 308 I C -2.011 174.286 176.117 0.300 0.000 1.175 308 I CA -2.076 59.378 61.300 0.257 0.000 1.429 308 I CB 0.572 38.757 38.000 0.308 0.000 1.371 308 I HN 0.104 nan 8.210 nan 0.000 0.569 309 P HA -0.055 nan 4.420 nan 0.000 0.268 309 P C 0.571 178.088 177.300 0.361 0.000 1.208 309 P CA -0.284 62.966 63.100 0.250 0.000 0.777 309 P CB 0.578 32.433 31.700 0.257 0.000 0.875 310 L N 3.374 124.873 121.223 0.459 0.000 2.010 310 L HA -0.289 4.051 4.340 0.000 0.000 0.219 310 L C 1.541 178.600 176.870 0.315 0.000 1.077 310 L CA 2.226 57.359 54.840 0.489 0.000 0.773 310 L CB -1.101 41.312 42.059 0.590 0.000 0.892 310 L HN 0.315 nan 8.230 nan 0.000 0.436 311 N N -1.283 117.585 118.700 0.279 0.000 2.520 311 N HA -0.063 4.677 4.740 0.000 0.000 0.185 311 N C 1.415 177.007 175.510 0.137 0.000 1.068 311 N CA 1.155 54.284 53.050 0.132 0.000 0.911 311 N CB 0.019 38.499 38.487 -0.010 0.000 0.961 311 N HN 0.340 nan 8.380 nan 0.000 0.446 312 V N -0.074 119.959 119.914 0.199 0.000 3.644 312 V HA 0.127 4.247 4.120 0.000 0.000 0.267 312 V C 2.021 178.243 176.094 0.213 0.000 1.277 312 V CA 0.195 62.613 62.300 0.196 0.000 1.096 312 V CB -0.027 31.941 31.823 0.242 0.000 0.828 312 V HN 0.182 nan 8.190 nan 0.000 0.446 313 L N 1.228 122.595 121.223 0.241 0.000 2.079 313 L HA -0.177 4.163 4.340 0.000 0.000 0.210 313 L C 2.714 179.738 176.870 0.257 0.000 1.081 313 L CA 1.998 57.009 54.840 0.285 0.000 0.752 313 L CB -0.447 41.757 42.059 0.242 0.000 0.896 313 L HN 0.586 nan 8.230 nan 0.000 0.433 314 S N -1.569 114.233 115.700 0.169 0.000 2.500 314 S HA -0.168 4.302 4.470 0.000 0.000 0.239 314 S C 1.814 176.486 174.600 0.119 0.000 0.989 314 S CA 1.286 59.566 58.200 0.134 0.000 0.951 314 S CB -0.835 62.416 63.200 0.084 0.000 0.759 314 S HN 0.608 nan 8.310 nan 0.000 0.523 315 T N -0.465 114.162 114.554 0.121 0.000 3.113 315 T HA 0.330 4.680 4.350 0.000 0.000 0.256 315 T C 0.638 175.370 174.700 0.053 0.000 1.131 315 T CA -0.262 61.889 62.100 0.085 0.000 1.074 315 T CB -0.484 68.438 68.868 0.090 0.000 0.944 315 T HN 0.360 nan 8.240 nan 0.000 0.516 316 I N 2.305 122.904 120.570 0.049 0.000 2.460 316 I HA 0.390 4.560 4.170 0.000 0.000 0.298 316 I C -0.186 175.787 176.117 -0.239 0.000 0.989 316 I CA -0.937 60.273 61.300 -0.149 0.000 1.173 316 I CB 1.644 39.472 38.000 -0.286 0.000 1.338 316 I HN 0.333 nan 8.210 nan 0.000 0.456 317 Q N 4.640 124.252 119.800 -0.313 0.000 2.230 317 Q HA 0.691 5.031 4.340 0.000 0.000 0.253 317 Q C -1.637 174.127 176.000 -0.393 0.000 0.919 317 Q CA -0.385 55.302 55.803 -0.193 0.000 0.908 317 Q CB 1.631 30.328 28.738 -0.070 0.000 1.245 317 Q HN 0.361 nan 8.270 nan 0.000 0.437 318 F N 0.178 120.189 119.950 0.103 0.000 2.551 318 F HA 0.488 5.015 4.527 0.000 0.000 0.316 318 F C -0.103 175.782 175.800 0.142 0.000 1.089 318 F CA -0.785 57.301 58.000 0.144 0.000 0.915 318 F CB 2.551 41.660 39.000 0.183 0.000 1.186 318 F HN 0.412 nan 8.300 nan 0.000 0.456 319 S N 3.724 119.619 115.700 0.325 0.000 2.605 319 S HA 0.531 5.001 4.470 0.000 0.000 0.308 319 S C -2.653 172.071 174.600 0.206 0.000 1.113 319 S CA -1.311 57.020 58.200 0.219 0.000 1.049 319 S CB 1.875 65.151 63.200 0.127 0.000 1.001 319 S HN 0.249 nan 8.310 nan 0.000 0.480 320 P HA 0.352 nan 4.420 nan 0.000 0.276 320 P C -0.525 176.939 177.300 0.274 0.000 1.261 320 P CA -0.532 62.658 63.100 0.150 0.000 0.800 320 P CB 0.359 32.092 31.700 0.054 0.000 1.066 321 A N 0.998 123.937 122.820 0.199 0.000 2.547 321 A HA 0.134 4.454 4.320 0.000 0.000 0.233 321 A C 0.611 178.307 177.584 0.186 0.000 1.067 321 A CA 0.049 52.195 52.037 0.181 0.000 0.763 321 A CB -0.931 18.133 19.000 0.106 0.000 1.007 321 A HN 0.491 nan 8.150 nan 0.000 0.506 322 L N 1.471 122.719 121.223 0.041 0.000 2.466 322 L HA 0.289 4.629 4.340 0.000 0.000 0.257 322 L C 1.397 178.219 176.870 -0.080 0.000 1.189 322 L CA -0.196 54.557 54.840 -0.145 0.000 0.813 322 L CB 0.581 42.422 42.059 -0.363 0.000 1.118 322 L HN 0.956 nan 8.230 nan 0.000 0.471 323 S N -0.724 114.900 115.700 -0.125 0.000 2.580 323 S HA 0.018 4.488 4.470 0.000 0.000 0.266 323 S C 1.054 175.599 174.600 -0.091 0.000 1.354 323 S CA -0.138 58.011 58.200 -0.085 0.000 1.008 323 S CB 0.874 64.013 63.200 -0.102 0.000 0.898 323 S HN 0.661 nan 8.310 nan 0.000 0.555 324 T N 1.623 116.142 114.554 -0.059 0.000 2.788 324 T HA -0.095 4.255 4.350 0.000 0.000 0.268 324 T C 1.474 176.138 174.700 -0.061 0.000 1.044 324 T CA 1.907 63.979 62.100 -0.047 0.000 1.139 324 T CB -0.558 68.293 68.868 -0.028 0.000 0.867 324 T HN 0.788 nan 8.240 nan 0.000 0.454 325 E N 1.144 121.298 120.200 -0.077 0.000 2.046 325 E HA 0.031 4.381 4.350 0.000 0.000 0.190 325 E C 2.401 178.925 176.600 -0.127 0.000 0.982 325 E CA 0.619 56.970 56.400 -0.082 0.000 0.800 325 E CB -0.205 29.449 29.700 -0.075 0.000 0.756 325 E HN 0.318 nan 8.360 nan 0.000 0.449 326 R N 0.367 120.744 120.500 -0.205 0.000 2.096 326 R HA -0.129 4.211 4.340 0.000 0.000 0.240 326 R C 2.332 178.520 176.300 -0.187 0.000 1.139 326 R CA 1.502 57.427 56.100 -0.291 0.000 0.952 326 R CB -0.470 29.539 30.300 -0.484 0.000 0.854 326 R HN 0.224 nan 8.270 nan 0.000 0.436 327 I N 0.284 120.774 120.570 -0.133 0.000 2.226 327 I HA -0.269 3.901 4.170 0.000 0.000 0.245 327 I C 2.211 178.304 176.117 -0.039 0.000 1.100 327 I CA 1.229 62.487 61.300 -0.071 0.000 1.374 327 I CB -0.182 37.791 38.000 -0.045 0.000 1.057 327 I HN 0.129 nan 8.210 nan 0.000 0.413 328 S N 1.160 116.838 115.700 -0.037 0.000 2.348 328 S HA -0.189 4.281 4.470 0.000 0.000 0.221 328 S C 2.307 176.910 174.600 0.004 0.000 1.033 328 S CA 1.289 59.482 58.200 -0.012 0.000 1.010 328 S CB -0.618 62.578 63.200 -0.008 0.000 0.891 328 S HN 0.531 nan 8.310 nan 0.000 0.442 329 A N 1.575 124.395 122.820 0.002 0.000 1.902 329 A HA -0.059 4.261 4.320 0.000 0.000 0.217 329 A C 2.198 179.819 177.584 0.062 0.000 1.181 329 A CA 1.731 53.797 52.037 0.049 0.000 0.623 329 A CB -0.700 18.328 19.000 0.046 0.000 0.818 329 A HN 0.467 nan 8.150 nan 0.000 0.443 330 M N -0.847 118.765 119.600 0.019 0.000 2.065 330 M HA -0.263 4.217 4.480 0.000 0.000 0.259 330 M C 2.418 178.739 176.300 0.036 0.000 1.069 330 M CA 2.089 57.409 55.300 0.034 0.000 1.110 330 M CB -0.204 32.394 32.600 -0.003 0.000 1.328 330 M HN 0.532 nan 8.290 nan 0.000 0.405 331 Q N -0.802 119.009 119.800 0.019 0.000 2.123 331 Q HA -0.061 4.279 4.340 0.000 0.000 0.199 331 Q C 2.108 178.114 176.000 0.011 0.000 0.966 331 Q CA 1.336 57.148 55.803 0.015 0.000 0.845 331 Q CB -0.218 28.526 28.738 0.010 0.000 0.907 331 Q HN 0.645 nan 8.270 nan 0.000 0.439 332 A N 0.960 123.789 122.820 0.015 0.000 1.877 332 A HA 0.142 4.462 4.320 0.000 0.000 0.216 332 A C 1.186 178.772 177.584 0.002 0.000 1.186 332 A CA 1.287 53.331 52.037 0.011 0.000 0.620 332 A CB -1.050 17.962 19.000 0.021 0.000 0.822 332 A HN 0.445 nan 8.150 nan 0.000 0.443 333 G N -1.332 107.483 108.800 0.024 0.000 2.728 333 G HA2 0.040 4.000 3.960 0.000 0.000 0.686 333 G HA3 0.040 4.000 3.960 0.000 0.000 0.686 333 G C -0.263 174.637 174.900 0.000 0.000 1.337 333 G CA 0.112 45.211 45.100 -0.002 0.000 0.861 333 G HN 1.903 nan 8.290 nan 0.000 0.597 334 H N -0.923 118.155 119.070 0.013 0.000 2.607 334 H HA 0.569 5.125 4.556 0.000 0.000 0.367 334 H C 1.518 176.767 175.328 -0.133 0.000 1.181 334 H CA -0.016 55.953 56.048 -0.131 0.000 1.402 334 H CB 1.280 30.895 29.762 -0.245 0.000 1.474 334 H HN 1.467 nan 8.280 nan 0.000 0.596 335 V N -0.407 119.553 119.914 0.078 0.000 3.621 335 V HA 0.208 4.328 4.120 0.000 0.000 0.285 335 V C 0.729 176.785 176.094 -0.063 0.000 1.346 335 V CA 0.213 62.492 62.300 -0.035 0.000 1.104 335 V CB -0.392 31.400 31.823 -0.052 0.000 0.913 335 V HN 0.700 nan 8.190 nan 0.000 0.432 336 S N 2.087 117.808 115.700 0.035 0.000 2.455 336 S HA 0.504 4.974 4.470 0.000 0.000 0.278 336 S C 0.249 174.709 174.600 -0.233 0.000 1.216 336 S CA -0.330 57.712 58.200 -0.265 0.000 1.055 336 S CB 0.309 63.062 63.200 -0.745 0.000 0.939 336 S HN 0.453 nan 8.310 nan 0.000 0.494 337 M N 4.735 124.198 119.600 -0.229 0.000 3.004 337 M HA 0.199 4.679 4.480 0.000 0.000 0.365 337 M C -0.053 176.231 176.300 -0.026 0.000 1.317 337 M CA -0.485 54.718 55.300 -0.162 0.000 0.821 337 M CB -0.430 31.990 32.600 -0.299 0.000 1.387 337 M HN 0.675 nan 8.290 nan 0.000 0.501 338 C N 2.276 121.522 119.300 -0.091 0.000 2.648 338 C HA 0.381 4.841 4.460 0.000 0.000 0.415 338 C C 0.834 175.990 174.990 0.276 0.000 1.366 338 C CA 0.592 59.656 59.018 0.077 0.000 1.756 338 C CB -0.300 27.409 27.740 -0.053 0.000 2.549 338 C HN 0.610 nan 8.230 nan 0.000 0.597 339 T N 6.554 121.283 114.554 0.292 0.000 2.771 339 T HA 0.299 4.649 4.350 0.000 0.000 0.291 339 T C -0.338 174.507 174.700 0.242 0.000 0.954 339 T CA -0.036 62.195 62.100 0.219 0.000 1.045 339 T CB 0.566 69.445 68.868 0.019 0.000 0.917 339 T HN 0.802 nan 8.240 nan 0.000 0.484 340 K N 3.035 123.578 120.400 0.238 0.000 2.463 340 K HA 0.629 4.949 4.320 0.000 0.000 0.255 340 K C -1.722 174.874 176.600 -0.007 0.000 0.942 340 K CA -0.645 55.678 56.287 0.060 0.000 0.814 340 K CB 1.195 33.826 32.500 0.219 0.000 1.122 340 K HN 0.363 nan 8.250 nan 0.000 0.425 341 V N 4.860 124.666 119.914 -0.179 0.000 2.525 341 V HA 0.305 4.425 4.120 0.000 0.000 0.299 341 V C -0.759 175.279 176.094 -0.093 0.000 1.034 341 V CA -0.890 61.390 62.300 -0.033 0.000 0.863 341 V CB 1.617 33.387 31.823 -0.089 0.000 0.999 341 V HN 0.816 nan 8.190 nan 0.000 0.423 342 H N 3.221 122.448 119.070 0.263 0.000 2.473 342 H HA 0.745 5.301 4.556 0.000 0.000 0.327 342 H C -0.038 175.467 175.328 0.295 0.000 1.105 342 H CA -0.265 55.992 56.048 0.348 0.000 1.280 342 H CB 2.152 32.232 29.762 0.531 0.000 1.450 342 H HN 0.750 nan 8.280 nan 0.000 0.492 343 A N 3.105 126.157 122.820 0.387 0.000 2.357 343 A HA 0.214 4.534 4.320 0.000 0.000 0.295 343 A C -0.115 177.625 177.584 0.260 0.000 1.121 343 A CA -0.750 51.446 52.037 0.264 0.000 0.742 343 A CB 1.037 20.118 19.000 0.135 0.000 1.181 343 A HN 0.798 nan 8.150 nan 0.000 0.454 344 E N 2.362 122.711 120.200 0.249 0.000 2.105 344 E HA 0.445 4.795 4.350 0.000 0.000 0.285 344 E C -0.176 176.485 176.600 0.101 0.000 1.055 344 E CA -0.374 56.127 56.400 0.167 0.000 0.843 344 E CB 0.704 30.501 29.700 0.161 0.000 1.067 344 E HN 0.676 nan 8.360 nan 0.000 0.398 345 V N 1.634 121.556 119.914 0.013 0.000 3.096 345 V HA 0.405 4.525 4.120 0.000 0.000 0.319 345 V C 0.318 176.428 176.094 0.027 0.000 1.103 345 V CA -0.471 61.828 62.300 -0.001 0.000 1.016 345 V CB 1.799 33.446 31.823 -0.294 0.000 1.090 345 V HN 0.741 nan 8.190 nan 0.000 0.449 346 D N -0.209 120.244 120.400 0.089 0.000 2.339 346 D HA 0.048 4.688 4.640 0.000 0.000 0.217 346 D C 0.391 176.728 176.300 0.061 0.000 1.050 346 D CA 0.092 54.137 54.000 0.075 0.000 0.856 346 D CB -0.374 40.481 40.800 0.092 0.000 0.922 346 D HN 0.497 nan 8.370 nan 0.000 0.518 347 N N 1.404 120.133 118.700 0.048 0.000 2.420 347 N HA 0.079 4.819 4.740 0.000 0.000 0.249 347 N C 0.539 176.048 175.510 -0.001 0.000 1.033 347 N CA -0.099 52.970 53.050 0.031 0.000 0.944 347 N CB 0.985 39.498 38.487 0.043 0.000 1.113 347 N HN 0.041 nan 8.380 nan 0.000 0.502 348 K N 1.584 121.994 120.400 0.018 0.000 2.217 348 K HA -0.036 4.284 4.320 0.000 0.000 0.202 348 K C 0.154 176.773 176.600 0.033 0.000 1.051 348 K CA 0.838 57.139 56.287 0.022 0.000 0.952 348 K CB 0.392 32.909 32.500 0.028 0.000 0.736 348 K HN 0.493 nan 8.250 nan 0.000 0.453 349 D N 0.475 120.894 120.400 0.032 0.000 2.363 349 D HA -0.033 4.607 4.640 0.000 0.000 0.226 349 D C 1.198 177.535 176.300 0.063 0.000 1.020 349 D CA 0.782 54.809 54.000 0.043 0.000 0.892 349 D CB 0.172 40.989 40.800 0.029 0.000 0.900 349 D HN 0.211 nan 8.370 nan 0.000 0.531 350 M N -0.183 119.443 119.600 0.043 0.000 2.494 350 M HA 0.073 4.553 4.480 0.000 0.000 0.232 350 M C 1.714 178.118 176.300 0.173 0.000 1.137 350 M CA -0.100 55.245 55.300 0.076 0.000 1.012 350 M CB 0.445 32.960 32.600 -0.141 0.000 1.567 350 M HN -0.212 nan 8.290 nan 0.000 0.486 351 R N 1.426 122.014 120.500 0.146 0.000 2.105 351 R HA -0.105 4.235 4.340 0.000 0.000 0.239 351 R C 1.634 178.107 176.300 0.289 0.000 1.135 351 R CA 2.138 58.342 56.100 0.173 0.000 0.967 351 R CB -0.394 29.987 30.300 0.135 0.000 0.861 351 R HN 0.342 nan 8.270 nan 0.000 0.442 352 S N -1.954 113.954 115.700 0.348 0.000 2.582 352 S HA 0.120 4.590 4.470 0.000 0.000 0.234 352 S C -0.170 174.778 174.600 0.580 0.000 0.961 352 S CA -0.862 57.658 58.200 0.534 0.000 0.953 352 S CB -0.403 63.063 63.200 0.443 0.000 0.800 352 S HN 0.414 nan 8.310 nan 0.000 0.471 353 W N 3.185 124.654 121.300 0.282 0.000 2.438 353 W HA 0.596 5.256 4.660 0.000 0.000 0.324 353 W C -0.226 176.518 176.519 0.374 0.000 1.119 353 W CA -0.196 57.299 57.345 0.250 0.000 1.221 353 W CB 1.367 30.914 29.460 0.145 0.000 1.253 353 W HN 0.175 nan 8.180 nan 0.000 0.555 354 T N 2.587 116.885 114.554 -0.426 0.000 2.901 354 T HA 0.882 5.232 4.350 0.000 0.000 0.293 354 T C -0.532 173.341 174.700 -1.378 0.000 1.084 354 T CA -0.647 61.064 62.100 -0.648 0.000 1.008 354 T CB 1.569 70.477 68.868 0.068 0.000 1.170 354 T HN 0.993 nan 8.240 nan 0.000 0.509 355 G N 0.324 108.498 108.800 -1.042 0.000 2.742 355 G HA2 0.654 4.614 3.960 0.000 0.000 0.296 355 G HA3 0.654 4.614 3.960 0.000 0.000 0.296 355 G C -1.815 172.969 174.900 -0.193 0.000 1.436 355 G CA -0.832 43.877 45.100 -0.653 0.000 0.928 355 G HN 0.913 nan 8.290 nan 0.000 0.520 356 I N 0.979 121.493 120.570 -0.092 0.000 2.499 356 I HA 0.597 4.767 4.170 0.000 0.000 0.288 356 I C -0.101 176.046 176.117 0.050 0.000 1.048 356 I CA -0.944 60.387 61.300 0.052 0.000 1.062 356 I CB 2.282 40.403 38.000 0.202 0.000 1.238 356 I HN 0.658 nan 8.210 nan 0.000 0.426 357 A N 6.695 129.564 122.820 0.081 0.000 2.340 357 A HA 0.731 5.051 4.320 0.000 0.000 0.297 357 A C -1.644 175.863 177.584 -0.128 0.000 1.195 357 A CA -0.371 51.653 52.037 -0.022 0.000 0.769 357 A CB 0.682 19.611 19.000 -0.119 0.000 1.163 357 A HN 0.656 nan 8.150 nan 0.000 0.472 358 Y N 4.473 124.682 120.300 -0.152 0.000 2.480 358 Y HA 0.565 5.115 4.550 0.000 0.000 0.329 358 Y C -2.534 173.420 175.900 0.090 0.000 1.127 358 Y CA -1.380 56.674 58.100 -0.077 0.000 1.037 358 Y CB 2.830 41.295 38.460 0.007 0.000 1.320 358 Y HN 0.446 nan 8.280 nan 0.000 0.446 359 P HA 0.084 nan 4.420 nan 0.000 0.266 359 P C 0.619 177.666 177.300 -0.421 0.000 1.381 359 P CA 0.181 62.664 63.100 -1.029 0.000 0.940 359 P CB -0.380 30.666 31.700 -1.090 0.000 1.435 360 F N -1.208 118.624 119.950 -0.197 0.000 2.456 360 F HA 0.248 4.775 4.527 0.000 0.000 0.298 360 F C 0.473 176.235 175.800 -0.064 0.000 1.104 360 F CA -0.392 57.541 58.000 -0.112 0.000 1.435 360 F CB -1.100 37.854 39.000 -0.077 0.000 1.078 360 F HN -0.227 nan 8.300 nan 0.000 0.546 361 N N 0.886 119.052 118.700 -0.889 0.000 2.492 361 N HA 0.231 4.971 4.740 0.000 0.000 0.289 361 N C 0.355 175.725 175.510 -0.233 0.000 1.133 361 N CA -0.537 52.206 53.050 -0.512 0.000 0.961 361 N CB 1.339 39.442 38.487 -0.640 0.000 1.186 361 N HN 0.057 nan 8.380 nan 0.000 0.493 362 K N 0.729 121.052 120.400 -0.128 0.000 2.400 362 K HA 0.216 4.536 4.320 0.000 0.000 0.194 362 K C -0.269 176.303 176.600 -0.046 0.000 1.033 362 K CA 0.513 56.748 56.287 -0.085 0.000 1.021 362 K CB 0.163 32.602 32.500 -0.102 0.000 0.808 362 K HN 0.379 nan 8.250 nan 0.000 0.505 363 L N 0.646 121.854 121.223 -0.026 0.000 2.333 363 L HA 0.214 4.554 4.340 0.000 0.000 0.280 363 L C 0.777 177.699 176.870 0.086 0.000 1.004 363 L CA -0.858 54.018 54.840 0.059 0.000 0.820 363 L CB 1.608 43.707 42.059 0.066 0.000 1.247 363 L HN 0.145 nan 8.230 nan 0.000 0.416 364 C N 1.058 120.470 119.300 0.188 0.000 3.228 364 C HA 0.355 4.815 4.460 0.000 0.000 0.290 364 C C -0.019 175.167 174.990 0.327 0.000 1.301 364 C CA -0.528 58.618 59.018 0.214 0.000 1.703 364 C CB -0.770 27.139 27.740 0.281 0.000 2.141 364 C HN 0.698 nan 8.230 nan 0.000 0.656 365 Y N 1.046 121.495 120.300 0.248 0.000 2.442 365 Y HA 0.655 5.205 4.550 0.000 0.000 0.330 365 Y C -0.675 175.456 175.900 0.386 0.000 1.100 365 Y CA -0.147 58.131 58.100 0.296 0.000 1.034 365 Y CB 1.344 39.966 38.460 0.269 0.000 1.285 365 Y HN 0.461 nan 8.280 nan 0.000 0.440 366 A N 6.021 129.019 122.820 0.297 0.000 2.589 366 A HA 0.838 5.158 4.320 0.000 0.000 0.296 366 A C -1.870 175.873 177.584 0.264 0.000 1.062 366 A CA -0.478 51.801 52.037 0.404 0.000 0.686 366 A CB 1.219 20.519 19.000 0.501 0.000 1.282 366 A HN 1.030 nan 8.150 nan 0.000 0.404 367 I N -0.809 119.976 120.570 0.357 0.000 2.722 367 I HA 0.816 4.986 4.170 0.000 0.000 0.295 367 I C 0.276 176.559 176.117 0.277 0.000 1.161 367 I CA -0.957 60.515 61.300 0.286 0.000 1.032 367 I CB 2.205 40.299 38.000 0.156 0.000 1.244 367 I HN 0.859 nan 8.210 nan 0.000 0.421 368 G N 2.318 111.329 108.800 0.351 0.000 2.299 368 G HA2 0.146 4.106 3.960 0.000 0.000 0.256 368 G HA3 0.146 4.106 3.960 0.000 0.000 0.256 368 G C -0.193 174.734 174.900 0.045 0.000 1.259 368 G CA 0.215 45.430 45.100 0.192 0.000 0.943 368 G HN 0.942 nan 8.290 nan 0.000 0.479 369 D N 0.655 121.044 120.400 -0.019 0.000 2.500 369 D HA 0.350 4.990 4.640 0.000 0.000 0.218 369 D C 1.027 177.465 176.300 0.230 0.000 1.140 369 D CA 0.922 54.950 54.000 0.048 0.000 0.830 369 D CB 0.570 41.385 40.800 0.026 0.000 1.055 369 D HN 0.795 nan 8.370 nan 0.000 0.512 370 G N -1.486 107.445 108.800 0.218 0.000 2.315 370 G HA2 0.377 4.337 3.960 0.000 0.000 0.294 370 G HA3 0.377 4.337 3.960 0.000 0.000 0.294 370 G C -1.332 173.635 174.900 0.111 0.000 1.300 370 G CA -0.625 44.624 45.100 0.248 0.000 0.843 370 G HN -0.086 nan 8.290 nan 0.000 0.527 371 T N 0.918 115.514 114.554 0.071 0.000 2.881 371 T HA 0.651 5.001 4.350 0.000 0.000 0.290 371 T C 0.501 175.135 174.700 -0.110 0.000 1.000 371 T CA 0.126 62.210 62.100 -0.028 0.000 0.978 371 T CB 1.373 70.258 68.868 0.028 0.000 0.997 371 T HN 1.124 nan 8.240 nan 0.000 0.443 372 T N 1.241 115.635 114.554 -0.267 0.000 2.868 372 T HA 0.264 4.614 4.350 0.000 0.000 0.292 372 T C -1.655 173.032 174.700 -0.022 0.000 1.028 372 T CA -1.475 60.481 62.100 -0.241 0.000 1.059 372 T CB 0.430 69.130 68.868 -0.279 0.000 0.991 372 T HN 0.135 nan 8.240 nan 0.000 0.531 373 P HA -0.074 nan 4.420 nan 0.000 0.216 373 P C 1.541 178.855 177.300 0.024 0.000 1.150 373 P CA 1.504 64.631 63.100 0.044 0.000 0.843 373 P CB -0.329 31.404 31.700 0.055 0.000 0.787 374 A N -1.143 121.686 122.820 0.014 0.000 2.178 374 A HA 0.222 4.542 4.320 0.000 0.000 0.218 374 A C 1.735 179.324 177.584 0.008 0.000 1.157 374 A CA 1.359 53.403 52.037 0.012 0.000 0.689 374 A CB -1.362 17.645 19.000 0.012 0.000 0.787 374 A HN 0.292 nan 8.150 nan 0.000 0.465 375 G N -1.339 107.462 108.800 0.002 0.000 2.134 375 G HA2 -0.189 3.771 3.960 0.000 0.000 0.209 375 G HA3 -0.189 3.771 3.960 0.000 0.000 0.209 375 G C -0.319 174.582 174.900 0.001 0.000 0.993 375 G CA 0.009 45.113 45.100 0.007 0.000 0.669 375 G HN 0.494 nan 8.290 nan 0.000 0.519 376 N N 0.768 119.458 118.700 -0.016 0.000 2.456 376 N HA 0.489 5.229 4.740 0.000 0.000 0.296 376 N C 0.203 175.693 175.510 -0.035 0.000 1.102 376 N CA -0.083 52.958 53.050 -0.015 0.000 0.924 376 N CB 1.101 39.585 38.487 -0.006 0.000 1.186 376 N HN 0.101 nan 8.380 nan 0.000 0.492 377 T N 0.948 115.489 114.554 -0.022 0.000 2.928 377 T HA -0.042 4.308 4.350 0.000 0.000 0.305 377 T C 0.253 174.948 174.700 -0.009 0.000 1.035 377 T CA 0.230 62.317 62.100 -0.022 0.000 1.145 377 T CB 0.005 68.847 68.868 -0.043 0.000 0.963 377 T HN 0.348 nan 8.240 nan 0.000 0.545 378 H N 4.069 123.073 119.070 -0.110 0.000 2.519 378 H HA 0.444 5.000 4.556 0.000 0.000 0.316 378 H C -0.908 174.441 175.328 0.035 0.000 1.065 378 H CA -0.876 55.127 56.048 -0.074 0.000 1.264 378 H CB 0.440 30.067 29.762 -0.225 0.000 1.413 378 H HN 0.419 nan 8.280 nan 0.000 0.465 379 L N 5.618 126.728 121.223 -0.189 0.000 2.322 379 L HA 0.352 4.692 4.340 0.000 0.000 0.279 379 L C -0.169 176.543 176.870 -0.262 0.000 1.036 379 L CA -1.022 53.691 54.840 -0.212 0.000 0.807 379 L CB 1.945 43.916 42.059 -0.146 0.000 1.226 379 L HN 0.360 nan 8.230 nan 0.000 0.433 380 V N 2.568 122.379 119.914 -0.173 0.000 2.495 380 V HA 0.550 4.670 4.120 0.000 0.000 0.298 380 V C -0.627 175.424 176.094 -0.072 0.000 1.031 380 V CA -0.277 61.943 62.300 -0.134 0.000 0.871 380 V CB 1.417 33.224 31.823 -0.026 0.000 0.988 380 V HN 0.934 nan 8.190 nan 0.000 0.432 381 C N 6.240 125.401 119.300 -0.231 0.000 2.561 381 C HA 0.771 5.231 4.460 0.000 0.000 0.319 381 C C -0.706 174.105 174.990 -0.297 0.000 1.198 381 C CA -0.986 57.987 59.018 -0.076 0.000 1.665 381 C CB 1.034 28.799 27.740 0.041 0.000 2.258 381 C HN 0.779 nan 8.230 nan 0.000 0.493 382 F N 0.678 120.772 119.950 0.240 0.000 2.551 382 F HA 0.721 5.248 4.527 0.000 0.000 0.316 382 F C 0.640 176.548 175.800 0.181 0.000 1.089 382 F CA -0.134 57.999 58.000 0.221 0.000 0.915 382 F CB 2.009 41.160 39.000 0.253 0.000 1.186 382 F HN 0.846 nan 8.300 nan 0.000 0.456 383 G N 0.103 109.101 108.800 0.331 0.000 2.630 383 G HA2 0.694 4.654 3.960 0.000 0.000 0.296 383 G HA3 0.694 4.654 3.960 0.000 0.000 0.296 383 G C -1.106 173.937 174.900 0.238 0.000 1.285 383 G CA -0.716 44.517 45.100 0.221 0.000 0.958 383 G HN 0.710 nan 8.290 nan 0.000 0.479 384 T N -2.792 111.880 114.554 0.197 0.000 2.831 384 T HA 0.405 4.755 4.350 0.000 0.000 0.287 384 T C 0.222 175.027 174.700 0.174 0.000 1.070 384 T CA -0.333 61.861 62.100 0.156 0.000 1.010 384 T CB 1.995 70.926 68.868 0.104 0.000 1.264 384 T HN 0.209 nan 8.240 nan 0.000 0.532 385 D N -0.087 120.343 120.400 0.051 0.000 2.310 385 D HA 0.068 4.708 4.640 0.000 0.000 0.212 385 D C 2.175 178.497 176.300 0.037 0.000 0.965 385 D CA 1.244 55.237 54.000 -0.013 0.000 0.879 385 D CB -0.465 40.261 40.800 -0.122 0.000 0.921 385 D HN 0.684 nan 8.370 nan 0.000 0.510 386 A N 0.130 122.985 122.820 0.057 0.000 1.908 386 A HA -0.167 4.153 4.320 0.000 0.000 0.218 386 A C 1.312 178.918 177.584 0.037 0.000 1.181 386 A CA 1.288 53.360 52.037 0.059 0.000 0.627 386 A CB -0.101 18.973 19.000 0.122 0.000 0.818 386 A HN 0.214 nan 8.150 nan 0.000 0.445 387 N N -0.997 117.734 118.700 0.052 0.000 2.675 387 N HA 0.224 4.964 4.740 0.000 0.000 0.254 387 N C -1.488 174.056 175.510 0.057 0.000 1.224 387 N CA -0.437 52.627 53.050 0.024 0.000 0.777 387 N CB 0.286 38.747 38.487 -0.043 0.000 1.256 387 N HN 0.389 nan 8.380 nan 0.000 0.531 388 H N 2.197 121.251 119.070 -0.027 0.000 2.525 388 H HA 0.624 5.180 4.556 0.000 0.000 0.339 388 H C -0.524 174.779 175.328 -0.043 0.000 1.109 388 H CA -0.106 55.926 56.048 -0.028 0.000 1.352 388 H CB 0.914 30.660 29.762 -0.027 0.000 1.461 388 H HN 0.521 nan 8.280 nan 0.000 0.533 389 I N 3.124 123.237 120.570 -0.762 0.000 2.828 389 I HA 0.283 4.453 4.170 0.000 0.000 0.302 389 I C -1.310 174.318 176.117 -0.815 0.000 1.101 389 I CA -0.844 60.100 61.300 -0.593 0.000 1.031 389 I CB 1.903 39.697 38.000 -0.343 0.000 1.231 389 I HN 0.569 nan 8.210 nan 0.000 0.427 390 Q N 7.522 127.054 119.800 -0.445 0.000 2.413 390 Q HA 0.466 4.806 4.340 0.000 0.000 0.258 390 Q C -2.111 173.689 176.000 -0.333 0.000 1.037 390 Q CA -2.057 53.570 55.803 -0.293 0.000 0.764 390 Q CB 1.691 30.350 28.738 -0.133 0.000 1.217 390 Q HN 0.323 nan 8.270 nan 0.000 0.490 391 P HA -0.117 nan 4.420 nan 0.000 0.230 391 P C 0.071 176.970 177.300 -0.668 0.000 1.158 391 P CA 0.976 63.633 63.100 -0.738 0.000 0.769 391 P CB 0.473 31.406 31.700 -1.277 0.000 0.807 392 D N -0.016 120.130 120.400 -0.424 0.000 2.327 392 D HA -0.083 4.557 4.640 0.000 0.000 0.205 392 D C 1.498 177.697 176.300 -0.168 0.000 0.989 392 D CA 0.431 54.253 54.000 -0.296 0.000 0.873 392 D CB -0.410 40.074 40.800 -0.526 0.000 0.955 392 D HN 0.183 nan 8.370 nan 0.000 0.515 393 E N 0.253 120.360 120.200 -0.154 0.000 2.072 393 E HA -0.086 4.264 4.350 0.000 0.000 0.191 393 E C 0.113 176.669 176.600 -0.074 0.000 0.985 393 E CA 0.895 57.241 56.400 -0.090 0.000 0.801 393 E CB 0.201 29.851 29.700 -0.084 0.000 0.750 393 E HN 0.147 nan 8.360 nan 0.000 0.452 394 D N -0.564 119.772 120.400 -0.106 0.000 2.323 394 D HA 0.070 4.710 4.640 0.000 0.000 0.242 394 D C 0.458 176.678 176.300 -0.133 0.000 1.347 394 D CA -0.174 53.771 54.000 -0.091 0.000 0.988 394 D CB 1.569 42.321 40.800 -0.080 0.000 1.314 394 D HN -0.228 nan 8.370 nan 0.000 0.564 395 V N 3.776 123.614 119.914 -0.127 0.000 2.594 395 V HA -0.198 3.922 4.120 0.000 0.000 0.253 395 V C 2.383 178.323 176.094 -0.258 0.000 1.069 395 V CA 1.227 63.391 62.300 -0.227 0.000 1.082 395 V CB -0.254 31.410 31.823 -0.264 0.000 0.680 395 V HN 0.361 nan 8.190 nan 0.000 0.469 396 R N 0.393 120.796 120.500 -0.161 0.000 2.081 396 R HA -0.094 4.246 4.340 0.000 0.000 0.235 396 R C 2.217 178.437 176.300 -0.133 0.000 1.131 396 R CA 1.184 57.204 56.100 -0.134 0.000 0.960 396 R CB -0.644 29.612 30.300 -0.072 0.000 0.856 396 R HN 0.509 nan 8.270 nan 0.000 0.436 397 E N -0.584 119.539 120.200 -0.128 0.000 2.072 397 E HA -0.054 4.296 4.350 0.000 0.000 0.190 397 E C 1.886 178.396 176.600 -0.151 0.000 0.982 397 E CA 1.420 57.747 56.400 -0.121 0.000 0.803 397 E CB -0.363 29.271 29.700 -0.109 0.000 0.755 397 E HN 0.291 nan 8.360 nan 0.000 0.453 398 T N 2.121 116.554 114.554 -0.201 0.000 2.746 398 T HA -0.091 4.259 4.350 0.000 0.000 0.267 398 T C 2.145 176.730 174.700 -0.193 0.000 1.039 398 T CA 0.849 62.809 62.100 -0.233 0.000 1.142 398 T CB -0.211 68.465 68.868 -0.321 0.000 0.866 398 T HN 0.073 nan 8.240 nan 0.000 0.444 399 L N 0.275 121.364 121.223 -0.224 0.000 2.093 399 L HA -0.050 4.290 4.340 0.000 0.000 0.208 399 L C 2.650 179.452 176.870 -0.114 0.000 1.085 399 L CA 1.264 55.989 54.840 -0.191 0.000 0.755 399 L CB -0.409 41.480 42.059 -0.284 0.000 0.904 399 L HN 0.205 nan 8.230 nan 0.000 0.435 400 K N 0.159 120.495 120.400 -0.106 0.000 2.057 400 K HA -0.154 4.166 4.320 0.000 0.000 0.207 400 K C 2.258 178.834 176.600 -0.040 0.000 1.049 400 K CA 1.402 57.648 56.287 -0.068 0.000 0.931 400 K CB -0.309 32.157 32.500 -0.056 0.000 0.714 400 K HN 0.275 nan 8.250 nan 0.000 0.440 401 A N 1.113 123.902 122.820 -0.052 0.000 1.908 401 A HA -0.138 4.182 4.320 0.000 0.000 0.218 401 A C 2.401 179.993 177.584 0.014 0.000 1.181 401 A CA 1.524 53.542 52.037 -0.032 0.000 0.627 401 A CB -0.699 18.258 19.000 -0.071 0.000 0.818 401 A HN 0.075 nan 8.150 nan 0.000 0.445 402 V N -0.114 119.811 119.914 0.017 0.000 2.295 402 V HA -0.175 3.945 4.120 0.000 0.000 0.246 402 V C 2.850 179.050 176.094 0.177 0.000 1.049 402 V CA 1.988 64.357 62.300 0.114 0.000 1.024 402 V CB -1.522 30.377 31.823 0.127 0.000 0.648 402 V HN 0.608 nan 8.190 nan 0.000 0.447 403 G N -1.198 107.615 108.800 0.022 0.000 2.450 403 G HA2 -0.262 3.698 3.960 0.000 0.000 0.220 403 G HA3 -0.262 3.698 3.960 0.000 0.000 0.220 403 G C 1.459 176.321 174.900 -0.063 0.000 1.130 403 G CA 0.562 45.560 45.100 -0.171 0.000 0.760 403 G HN 0.531 nan 8.290 nan 0.000 0.557 404 Q N -0.374 119.448 119.800 0.037 0.000 2.364 404 Q HA 0.119 4.459 4.340 0.000 0.000 0.207 404 Q C 2.548 178.660 176.000 0.187 0.000 0.970 404 Q CA 0.251 56.124 55.803 0.117 0.000 0.888 404 Q CB -0.079 28.759 28.738 0.167 0.000 0.951 404 Q HN 0.490 nan 8.270 nan 0.000 0.469 405 L N -0.375 120.974 121.223 0.211 0.000 2.131 405 L HA -0.111 4.229 4.340 0.000 0.000 0.210 405 L C 1.012 178.131 176.870 0.415 0.000 1.092 405 L CA 0.911 55.956 54.840 0.341 0.000 0.759 405 L CB 0.059 42.380 42.059 0.438 0.000 0.903 405 L HN 0.015 nan 8.230 nan 0.000 0.435 406 A N -0.954 122.029 122.820 0.271 0.000 3.307 406 A HA 0.455 4.775 4.320 0.000 0.000 0.289 406 A C -2.581 175.027 177.584 0.041 0.000 1.138 406 A CA -0.976 51.198 52.037 0.228 0.000 0.860 406 A CB -0.126 18.971 19.000 0.163 0.000 1.318 406 A HN -0.144 nan 8.150 nan 0.000 0.551 407 P HA 0.257 nan 4.420 nan 0.000 0.264 407 P C 1.230 178.487 177.300 -0.071 0.000 1.183 407 P CA 2.212 65.279 63.100 -0.056 0.000 0.763 407 P CB 0.684 32.382 31.700 -0.004 0.000 0.807 408 G N 2.267 110.980 108.800 -0.145 0.000 2.155 408 G HA2 -0.300 3.660 3.960 0.000 0.000 0.257 408 G HA3 -0.300 3.660 3.960 0.000 0.000 0.257 408 G C 0.760 175.605 174.900 -0.091 0.000 0.983 408 G CA 0.789 45.826 45.100 -0.106 0.000 0.676 408 G HN 0.672 nan 8.290 nan 0.000 0.528 409 T N -2.582 111.890 114.554 -0.137 0.000 2.990 409 T HA 0.591 4.941 4.350 0.000 0.000 0.250 409 T C 0.557 175.311 174.700 0.090 0.000 1.041 409 T CA 0.961 63.065 62.100 0.006 0.000 1.010 409 T CB 0.144 69.076 68.868 0.107 0.000 1.003 409 T HN 1.494 nan 8.240 nan 0.000 0.499 410 F N -0.734 119.183 119.950 -0.054 0.000 2.711 410 F HA 0.841 5.368 4.527 0.000 0.000 0.313 410 F C -0.389 175.401 175.800 -0.016 0.000 1.141 410 F CA -1.715 56.258 58.000 -0.046 0.000 0.941 410 F CB 0.931 39.880 39.000 -0.085 0.000 1.349 410 F HN 0.083 nan 8.300 nan 0.000 0.464 411 G N 0.534 109.481 108.800 0.245 0.000 2.432 411 G HA2 0.599 4.559 3.960 0.000 0.000 0.331 411 G HA3 0.599 4.559 3.960 0.000 0.000 0.331 411 G C -1.861 173.243 174.900 0.341 0.000 1.170 411 G CA -1.140 44.074 45.100 0.191 0.000 0.943 411 G HN 0.661 nan 8.290 nan 0.000 0.483 412 V N 1.566 121.667 119.914 0.311 0.000 2.407 412 V HA 0.261 4.381 4.120 0.000 0.000 0.278 412 V C 0.778 177.078 176.094 0.343 0.000 1.037 412 V CA -0.398 62.106 62.300 0.342 0.000 0.900 412 V CB 1.548 33.568 31.823 0.328 0.000 0.983 412 V HN 0.875 nan 8.190 nan 0.000 0.459 413 K N 3.350 123.904 120.400 0.256 0.000 2.308 413 K HA 0.248 4.568 4.320 0.000 0.000 0.197 413 K C 0.744 177.441 176.600 0.161 0.000 1.049 413 K CA 0.238 56.626 56.287 0.168 0.000 0.991 413 K CB 0.669 33.229 32.500 0.100 0.000 0.836 413 K HN 0.583 nan 8.250 nan 0.000 0.500 414 R N 0.562 121.219 120.500 0.262 0.000 2.604 414 R HA 0.287 4.627 4.340 0.000 0.000 0.261 414 R C -1.941 174.549 176.300 0.316 0.000 1.080 414 R CA -0.437 55.811 56.100 0.246 0.000 0.917 414 R CB 1.003 31.350 30.300 0.079 0.000 1.252 414 R HN -0.066 nan 8.270 nan 0.000 0.456 415 L N 3.606 125.057 121.223 0.380 0.000 2.346 415 L HA 0.742 5.082 4.340 0.000 0.000 0.274 415 L C -0.811 176.134 176.870 0.125 0.000 1.007 415 L CA -1.228 53.801 54.840 0.314 0.000 0.818 415 L CB 2.267 44.569 42.059 0.406 0.000 1.284 415 L HN 0.348 nan 8.230 nan 0.000 0.424 416 V N 2.960 122.947 119.914 0.122 0.000 2.686 416 V HA 0.624 4.744 4.120 0.000 0.000 0.306 416 V C -0.868 175.375 176.094 0.249 0.000 1.065 416 V CA -0.604 61.641 62.300 -0.092 0.000 0.894 416 V CB 1.698 33.230 31.823 -0.485 0.000 1.004 416 V HN 0.679 nan 8.190 nan 0.000 0.424 417 F N 1.570 121.631 119.950 0.185 0.000 2.807 417 F HA 0.806 5.333 4.527 -0.000 0.000 0.316 417 F C -1.193 174.767 175.800 0.266 0.000 1.162 417 F CA -1.056 57.081 58.000 0.230 0.000 0.910 417 F CB 1.623 40.702 39.000 0.131 0.000 1.314 417 F HN 0.585 nan 8.300 nan 0.000 0.454 418 H N 0.707 120.000 119.070 0.373 0.000 2.679 418 H HA 0.429 4.985 4.556 0.000 0.000 0.360 418 H C -1.599 173.723 175.328 -0.009 0.000 1.105 418 H CA -0.769 55.377 56.048 0.163 0.000 1.196 418 H CB 1.453 31.164 29.762 -0.084 0.000 1.636 418 H HN 0.775 nan 8.280 nan 0.000 0.531 419 N N 4.537 122.967 118.700 -0.449 0.000 2.415 419 N HA -0.005 4.735 4.740 0.000 0.000 0.246 419 N C -0.116 175.148 175.510 -0.410 0.000 1.078 419 N CA -0.205 52.677 53.050 -0.280 0.000 0.942 419 N CB 0.241 38.664 38.487 -0.105 0.000 1.140 419 N HN 0.727 nan 8.380 nan 0.000 0.501 420 W N 2.796 124.201 121.300 0.175 0.000 2.518 420 W HA -0.003 4.657 4.660 0.000 0.000 0.273 420 W C 1.959 178.559 176.519 0.135 0.000 1.247 420 W CA -0.079 57.412 57.345 0.244 0.000 1.288 420 W CB 0.038 29.674 29.460 0.295 0.000 1.107 420 W HN 0.346 nan 8.180 nan 0.000 0.586 421 V N 0.681 120.747 119.914 0.254 0.000 2.323 421 V HA -0.221 3.899 4.120 0.000 0.000 0.244 421 V C 1.897 178.039 176.094 0.080 0.000 1.041 421 V CA 1.718 64.102 62.300 0.139 0.000 1.025 421 V CB -0.619 31.267 31.823 0.105 0.000 0.656 421 V HN 0.089 nan 8.190 nan 0.000 0.451 422 K N -0.185 120.246 120.400 0.052 0.000 2.459 422 K HA -0.002 4.318 4.320 0.000 0.000 0.193 422 K C 0.595 177.190 176.600 -0.009 0.000 1.030 422 K CA -0.010 56.285 56.287 0.013 0.000 1.026 422 K CB 0.008 32.512 32.500 0.007 0.000 0.809 422 K HN 0.349 nan 8.250 nan 0.000 0.504 423 D N 2.017 122.427 120.400 0.017 0.000 2.358 423 D HA -0.068 4.572 4.640 0.000 0.000 0.258 423 D C 0.806 177.101 176.300 -0.008 0.000 1.223 423 D CA 0.114 54.133 54.000 0.032 0.000 0.886 423 D CB 0.916 41.833 40.800 0.195 0.000 1.120 423 D HN 0.309 nan 8.370 nan 0.000 0.482 424 E N 2.854 122.920 120.200 -0.223 0.000 2.338 424 E HA -0.180 4.170 4.350 0.000 0.000 0.197 424 E C 0.549 176.935 176.600 -0.356 0.000 1.007 424 E CA 0.916 57.091 56.400 -0.376 0.000 0.849 424 E CB -0.253 29.075 29.700 -0.621 0.000 0.774 424 E HN 0.382 nan 8.360 nan 0.000 0.506 425 F N -0.010 120.028 119.950 0.147 0.000 2.664 425 F HA 0.494 5.021 4.527 0.000 0.000 0.303 425 F C 1.551 177.483 175.800 0.220 0.000 1.092 425 F CA 0.075 58.168 58.000 0.155 0.000 1.305 425 F CB 0.796 39.867 39.000 0.118 0.000 1.054 425 F HN 0.183 nan 8.300 nan 0.000 0.565 426 A N -0.305 122.737 122.820 0.371 0.000 1.917 426 A HA 0.219 4.539 4.320 0.000 0.000 0.200 426 A C 1.050 178.800 177.584 0.277 0.000 1.671 426 A CA -0.209 52.065 52.037 0.395 0.000 1.034 426 A CB 0.126 19.507 19.000 0.635 0.000 1.057 426 A HN 0.069 nan 8.150 nan 0.000 0.507 427 K N 0.067 120.593 120.400 0.210 0.000 3.451 427 K HA -0.056 4.264 4.320 0.000 0.000 0.273 427 K C 0.254 176.894 176.600 0.067 0.000 0.944 427 K CA 0.515 56.865 56.287 0.106 0.000 0.734 427 K CB -2.174 30.358 32.500 0.053 0.000 1.437 427 K HN 1.865 nan 8.250 nan 0.000 0.454 428 G N -1.665 107.223 108.800 0.147 0.000 2.392 428 G HA2 0.319 4.279 3.960 0.000 0.000 0.677 428 G HA3 0.319 4.279 3.960 0.000 0.000 0.677 428 G C -0.615 174.421 174.900 0.228 0.000 1.334 428 G CA -0.378 44.787 45.100 0.107 0.000 0.961 428 G HN 0.552 nan 8.290 nan 0.000 0.616 429 A N -0.330 122.532 122.820 0.069 0.000 3.068 429 A HA 0.899 5.219 4.320 0.000 0.000 0.229 429 A C 0.505 178.016 177.584 -0.122 0.000 1.561 429 A CA 0.250 52.213 52.037 -0.123 0.000 0.876 429 A CB -0.253 18.487 19.000 -0.434 0.000 1.700 429 A HN 2.279 nan 8.150 nan 0.000 0.535 430 W N -1.368 119.929 121.300 -0.005 0.000 2.456 430 W HA 0.211 4.871 4.660 0.000 0.000 0.343 430 W C -0.316 176.102 176.519 -0.169 0.000 1.211 430 W CA -0.610 56.716 57.345 -0.032 0.000 1.353 430 W CB -0.351 29.091 29.460 -0.029 0.000 1.189 430 W HN 0.456 nan 8.180 nan 0.000 0.587 431 F N 4.863 124.709 119.950 -0.175 0.000 2.578 431 F HA 0.290 4.817 4.527 0.000 0.000 0.381 431 F C -0.773 175.083 175.800 0.093 0.000 1.069 431 F CA -0.254 57.455 58.000 -0.485 0.000 1.231 431 F CB 0.001 38.912 39.000 -0.148 0.000 1.086 431 F HN 0.349 nan 8.300 nan 0.000 0.564 432 F N 5.243 124.648 119.950 -0.909 0.000 2.581 432 F HA 0.416 4.943 4.527 0.000 0.000 0.311 432 F C -0.642 174.678 175.800 -0.799 0.000 1.113 432 F CA -0.647 56.992 58.000 -0.601 0.000 0.935 432 F CB 1.562 40.467 39.000 -0.158 0.000 1.232 432 F HN 0.540 nan 8.300 nan 0.000 0.445 433 S N 4.527 119.737 115.700 -0.817 0.000 2.646 433 S HA 0.667 5.137 4.470 0.000 0.000 0.276 433 S C -0.105 174.422 174.600 -0.122 0.000 1.222 433 S CA -0.967 56.969 58.200 -0.440 0.000 1.014 433 S CB 1.481 64.563 63.200 -0.198 0.000 0.991 433 S HN 0.736 nan 8.310 nan 0.000 0.533 434 R N 0.694 121.163 120.500 -0.052 0.000 2.707 434 R HA 0.336 4.676 4.340 0.000 0.000 0.270 434 R C -2.581 173.724 176.300 0.009 0.000 1.083 434 R CA -1.767 54.326 56.100 -0.011 0.000 1.182 434 R CB -0.412 29.888 30.300 -0.000 0.000 1.084 434 R HN 0.427 nan 8.270 nan 0.000 0.528 435 P HA -0.043 nan 4.420 nan 0.000 0.264 435 P C 0.507 177.826 177.300 0.032 0.000 1.193 435 P CA 0.953 64.076 63.100 0.037 0.000 0.763 435 P CB 0.518 32.242 31.700 0.039 0.000 0.810 436 G N 3.236 112.058 108.800 0.037 0.000 2.234 436 G HA2 -0.408 3.552 3.960 0.000 0.000 0.260 436 G HA3 -0.408 3.552 3.960 0.000 0.000 0.260 436 G C 0.952 175.892 174.900 0.066 0.000 0.987 436 G CA 0.523 45.651 45.100 0.046 0.000 0.625 436 G HN 0.553 nan 8.290 nan 0.000 0.532 437 M N 0.451 120.091 119.600 0.067 0.000 2.086 437 M HA 0.017 4.497 4.480 0.000 0.000 0.261 437 M C 2.426 178.803 176.300 0.129 0.000 1.067 437 M CA 2.680 58.037 55.300 0.095 0.000 1.116 437 M CB -0.190 32.471 32.600 0.101 0.000 1.348 437 M HN 0.185 nan 8.290 nan 0.000 0.407 438 V N -0.104 119.891 119.914 0.136 0.000 2.307 438 V HA -0.215 3.905 4.120 0.000 0.000 0.245 438 V C 2.434 178.600 176.094 0.119 0.000 1.045 438 V CA 1.928 64.307 62.300 0.132 0.000 1.024 438 V CB -0.736 31.149 31.823 0.103 0.000 0.651 438 V HN 0.571 nan 8.190 nan 0.000 0.449 439 S N -0.595 115.184 115.700 0.132 0.000 2.390 439 S HA -0.353 4.117 4.470 0.000 0.000 0.234 439 S C 2.053 176.813 174.600 0.267 0.000 1.063 439 S CA 2.512 60.851 58.200 0.232 0.000 1.108 439 S CB -0.275 63.039 63.200 0.190 0.000 0.975 439 S HN 0.801 nan 8.310 nan 0.000 0.442 440 E N -1.479 118.816 120.200 0.159 0.000 2.276 440 E HA -0.005 4.345 4.350 0.000 0.000 0.193 440 E C 1.384 178.035 176.600 0.086 0.000 0.983 440 E CA 0.867 57.336 56.400 0.115 0.000 0.861 440 E CB 0.132 29.876 29.700 0.073 0.000 0.817 440 E HN 0.563 nan 8.360 nan 0.000 0.485 441 C N 0.063 119.412 119.300 0.082 0.000 3.188 441 C HA 0.232 4.692 4.460 0.000 0.000 0.315 441 C C 2.114 177.111 174.990 0.011 0.000 1.285 441 C CA -0.565 58.473 59.018 0.033 0.000 1.729 441 C CB -0.484 27.275 27.740 0.032 0.000 2.257 441 C HN 0.445 nan 8.230 nan 0.000 0.645 442 L N 1.807 123.063 121.223 0.056 0.000 2.012 442 L HA -0.213 4.127 4.340 0.000 0.000 0.210 442 L C 2.608 179.484 176.870 0.010 0.000 1.073 442 L CA 2.128 56.989 54.840 0.034 0.000 0.748 442 L CB -0.747 41.342 42.059 0.051 0.000 0.891 442 L HN 0.422 nan 8.230 nan 0.000 0.431 443 Q N -1.011 118.820 119.800 0.052 0.000 2.124 443 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 443 Q C 2.017 177.990 176.000 -0.045 0.000 0.977 443 Q CA 1.602 57.425 55.803 0.034 0.000 0.850 443 Q CB -0.431 28.352 28.738 0.075 0.000 0.901 443 Q HN 0.664 nan 8.270 nan 0.000 0.429 444 G N 0.725 109.479 108.800 -0.077 0.000 2.408 444 G HA2 -0.198 3.762 3.960 0.000 0.000 0.217 444 G HA3 -0.198 3.762 3.960 0.000 0.000 0.217 444 G C 1.314 176.040 174.900 -0.289 0.000 1.150 444 G CA 0.444 45.456 45.100 -0.148 0.000 0.776 444 G HN 0.316 nan 8.290 nan 0.000 0.542 445 L N -0.341 120.671 121.223 -0.350 0.000 2.376 445 L HA 0.092 4.432 4.340 0.000 0.000 0.219 445 L C 2.665 179.046 176.870 -0.815 0.000 1.133 445 L CA 0.569 54.984 54.840 -0.709 0.000 0.816 445 L CB -0.012 41.686 42.059 -0.602 0.000 0.933 445 L HN 0.197 nan 8.230 nan 0.000 0.449 446 R N -0.801 119.496 120.500 -0.338 0.000 2.397 446 R HA 0.172 4.512 4.340 0.000 0.000 0.241 446 R C 0.058 176.334 176.300 -0.039 0.000 0.914 446 R CA -0.163 55.867 56.100 -0.116 0.000 1.071 446 R CB 0.328 30.658 30.300 0.050 0.000 1.116 446 R HN 0.316 nan 8.270 nan 0.000 0.524 447 E N 2.098 122.248 120.200 -0.083 0.000 2.354 447 E HA 0.082 4.432 4.350 0.000 0.000 0.269 447 E C -0.499 176.129 176.600 0.047 0.000 1.036 447 E CA -0.066 56.325 56.400 -0.015 0.000 0.876 447 E CB 0.898 30.578 29.700 -0.034 0.000 1.009 447 E HN -0.020 nan 8.360 nan 0.000 0.416 448 K N 1.306 121.752 120.400 0.077 0.000 2.380 448 K HA -0.020 4.300 4.320 0.000 0.000 0.267 448 K C 0.751 177.464 176.600 0.189 0.000 0.990 448 K CA 0.205 56.564 56.287 0.120 0.000 0.946 448 K CB 0.456 33.001 32.500 0.075 0.000 0.937 448 K HN 0.551 nan 8.250 nan 0.000 0.491 449 H N -0.057 119.062 119.070 0.081 0.000 2.986 449 H HA 0.101 4.657 4.556 0.000 0.000 0.267 449 H C 0.685 176.042 175.328 0.048 0.000 1.072 449 H CA 0.526 56.626 56.048 0.086 0.000 1.202 449 H CB 0.843 30.723 29.762 0.196 0.000 1.535 449 H HN 0.933 nan 8.280 nan 0.000 0.522 450 G N -0.015 108.777 108.800 -0.013 0.000 2.039 450 G HA2 -0.236 3.724 3.960 0.000 0.000 0.207 450 G HA3 -0.236 3.724 3.960 0.000 0.000 0.207 450 G C 0.959 175.846 174.900 -0.021 0.000 1.133 450 G CA -0.145 44.914 45.100 -0.068 0.000 1.296 450 G HN 0.298 nan 8.290 nan 0.000 0.459 451 G N 0.023 108.813 108.800 -0.017 0.000 3.088 451 G HA2 0.486 4.446 3.960 0.000 0.000 0.217 451 G HA3 0.486 4.446 3.960 0.000 0.000 0.217 451 G C 0.077 174.969 174.900 -0.013 0.000 1.159 451 G CA 1.069 46.166 45.100 -0.006 0.000 0.760 451 G HN 1.128 nan 8.290 nan 0.000 0.550 452 V N 1.375 121.287 119.914 -0.004 0.000 2.370 452 V HA 0.389 4.509 4.120 0.000 0.000 0.283 452 V C -0.450 175.557 176.094 -0.145 0.000 1.023 452 V CA -0.706 61.538 62.300 -0.094 0.000 0.857 452 V CB 1.840 33.608 31.823 -0.091 0.000 0.985 452 V HN -0.076 nan 8.190 nan 0.000 0.443 453 V N 5.824 125.623 119.914 -0.192 0.000 2.313 453 V HA 0.419 4.539 4.120 0.000 0.000 0.278 453 V C -0.395 175.625 176.094 -0.123 0.000 1.017 453 V CA -0.453 61.798 62.300 -0.082 0.000 0.823 453 V CB 0.892 32.704 31.823 -0.018 0.000 1.010 453 V HN 0.649 nan 8.190 nan 0.000 0.443 454 F N 3.580 123.593 119.950 0.104 0.000 2.445 454 F HA 0.620 5.147 4.527 0.000 0.000 0.359 454 F C 0.709 176.806 175.800 0.494 0.000 1.101 454 F CA -0.002 58.134 58.000 0.225 0.000 1.177 454 F CB 1.037 40.024 39.000 -0.021 0.000 1.110 454 F HN 0.540 nan 8.300 nan 0.000 0.522 455 A N 4.580 127.774 122.820 0.625 0.000 2.408 455 A HA 0.664 4.984 4.320 0.000 0.000 0.295 455 A C -1.045 176.505 177.584 -0.057 0.000 1.040 455 A CA -0.564 51.671 52.037 0.330 0.000 0.707 455 A CB 1.378 20.463 19.000 0.140 0.000 1.235 455 A HN 0.697 nan 8.150 nan 0.000 0.418 456 N N 0.994 119.281 118.700 -0.687 0.000 2.636 456 N HA 0.106 4.846 4.740 0.000 0.000 0.261 456 N C 0.687 175.694 175.510 -0.839 0.000 1.195 456 N CA 0.244 52.780 53.050 -0.857 0.000 0.902 456 N CB 2.182 39.931 38.487 -1.230 0.000 1.627 456 N HN 0.446 nan 8.380 nan 0.000 0.491 457 S N 1.190 116.633 115.700 -0.427 0.000 2.392 457 S HA -0.176 4.294 4.470 0.000 0.000 0.232 457 S C 0.778 175.169 174.600 -0.349 0.000 1.041 457 S CA 1.903 59.947 58.200 -0.260 0.000 1.026 457 S CB -0.214 62.944 63.200 -0.069 0.000 0.845 457 S HN 0.596 nan 8.310 nan 0.000 0.465 458 D N 0.290 120.395 120.400 -0.493 0.000 2.228 458 D HA -0.140 4.500 4.640 0.000 0.000 0.203 458 D C 1.006 176.893 176.300 -0.688 0.000 0.988 458 D CA 1.358 55.043 54.000 -0.525 0.000 0.864 458 D CB -0.275 40.389 40.800 -0.226 0.000 0.928 458 D HN 0.933 nan 8.370 nan 0.000 0.469 459 W N -0.376 120.723 121.300 -0.334 0.000 2.300 459 W HA 0.734 5.394 4.660 -0.000 0.000 0.366 459 W C -0.030 176.400 176.519 -0.147 0.000 0.913 459 W CA -1.151 56.017 57.345 -0.296 0.000 2.200 459 W CB -0.641 28.695 29.460 -0.205 0.000 1.182 459 W HN -0.144 nan 8.180 nan 0.000 0.586 460 A N 1.201 123.943 122.820 -0.130 0.000 2.455 460 A HA 0.215 4.535 4.320 0.000 0.000 0.244 460 A C 0.944 178.538 177.584 0.016 0.000 1.099 460 A CA 0.319 52.337 52.037 -0.032 0.000 0.786 460 A CB 0.547 19.530 19.000 -0.028 0.000 1.051 460 A HN 0.408 nan 8.150 nan 0.000 0.508 461 L N 0.634 121.892 121.223 0.059 0.000 2.298 461 L HA 0.190 4.530 4.340 0.000 0.000 0.209 461 L C 2.077 178.948 176.870 0.001 0.000 1.084 461 L CA 2.150 57.032 54.840 0.070 0.000 0.816 461 L CB -1.149 41.008 42.059 0.164 0.000 0.967 461 L HN 0.880 nan 8.230 nan 0.000 0.460 462 G N -2.528 106.257 108.800 -0.025 0.000 2.529 462 G HA2 -0.079 3.881 3.960 0.000 0.000 0.220 462 G HA3 -0.079 3.881 3.960 0.000 0.000 0.220 462 G C -0.356 174.394 174.900 -0.249 0.000 1.976 462 G CA -0.326 44.547 45.100 -0.380 0.000 0.789 462 G HN 0.229 nan 8.290 nan 0.000 0.695 463 W N 2.934 124.202 121.300 -0.055 0.000 1.564 463 W HA 0.450 5.110 4.660 0.000 0.000 0.448 463 W C 1.030 177.689 176.519 0.233 0.000 0.601 463 W CA -0.871 56.414 57.345 -0.099 0.000 2.326 463 W CB -0.162 29.128 29.460 -0.283 0.000 1.355 463 W HN 0.068 nan 8.180 nan 0.000 0.382 464 R N 1.965 122.673 120.500 0.348 0.000 2.502 464 R HA 0.038 4.378 4.340 0.000 0.000 0.292 464 R C 1.264 177.801 176.300 0.394 0.000 0.998 464 R CA 1.546 57.800 56.100 0.257 0.000 1.056 464 R CB 0.400 30.759 30.300 0.098 0.000 0.939 464 R HN 0.425 nan 8.270 nan 0.000 0.411 465 S N 1.566 117.401 115.700 0.225 0.000 2.827 465 S HA -0.157 4.313 4.470 0.000 0.000 0.269 465 S C -0.493 174.016 174.600 -0.152 0.000 1.323 465 S CA 0.683 58.975 58.200 0.153 0.000 1.176 465 S CB -2.149 61.290 63.200 0.400 0.000 1.436 465 S HN 0.497 nan 8.310 nan 0.000 0.673 466 F N 0.452 120.435 119.950 0.055 0.000 2.541 466 F HA 0.688 5.215 4.527 0.000 0.000 0.331 466 F C 1.888 177.693 175.800 0.009 0.000 1.057 466 F CA -0.850 57.134 58.000 -0.026 0.000 0.975 466 F CB 0.490 39.438 39.000 -0.088 0.000 1.246 466 F HN -0.014 nan 8.300 nan 0.000 0.484 467 I N 0.488 121.163 120.570 0.175 0.000 2.194 467 I HA -0.325 3.845 4.170 0.000 0.000 0.246 467 I C 1.938 178.117 176.117 0.104 0.000 1.093 467 I CA 1.922 63.277 61.300 0.093 0.000 1.355 467 I CB -0.295 37.696 38.000 -0.015 0.000 1.046 467 I HN 0.735 nan 8.210 nan 0.000 0.413 468 D N 0.726 121.198 120.400 0.121 0.000 2.106 468 D HA -0.201 4.439 4.640 0.000 0.000 0.191 468 D C 2.239 178.639 176.300 0.167 0.000 0.997 468 D CA 1.871 55.962 54.000 0.152 0.000 0.834 468 D CB -0.295 40.525 40.800 0.033 0.000 0.956 468 D HN 0.319 nan 8.370 nan 0.000 0.448 469 G N -0.176 108.748 108.800 0.206 0.000 2.442 469 G HA2 -0.217 3.743 3.960 0.000 0.000 0.219 469 G HA3 -0.217 3.743 3.960 0.000 0.000 0.219 469 G C 1.682 176.581 174.900 -0.001 0.000 1.141 469 G CA 1.102 46.265 45.100 0.105 0.000 0.763 469 G HN 0.449 nan 8.290 nan 0.000 0.554 470 A N 0.863 123.702 122.820 0.032 0.000 1.883 470 A HA -0.029 4.291 4.320 0.000 0.000 0.217 470 A C 2.409 179.997 177.584 0.007 0.000 1.186 470 A CA 1.497 53.537 52.037 0.005 0.000 0.624 470 A CB -0.382 18.668 19.000 0.082 0.000 0.822 470 A HN 0.390 nan 8.150 nan 0.000 0.444 471 I N -0.895 119.705 120.570 0.051 0.000 2.202 471 I HA -0.230 3.940 4.170 0.000 0.000 0.242 471 I C 2.478 178.596 176.117 0.001 0.000 1.091 471 I CA 1.522 62.875 61.300 0.088 0.000 1.368 471 I CB -0.430 37.702 38.000 0.219 0.000 1.058 471 I HN 0.555 nan 8.210 nan 0.000 0.410 472 E N 1.280 121.367 120.200 -0.190 0.000 2.045 472 E HA -0.318 4.032 4.350 0.000 0.000 0.212 472 E C 2.089 178.611 176.600 -0.131 0.000 1.039 472 E CA 1.959 58.106 56.400 -0.421 0.000 0.860 472 E CB -0.016 29.352 29.700 -0.552 0.000 0.776 472 E HN 0.352 nan 8.360 nan 0.000 0.467 473 E N -0.553 119.591 120.200 -0.094 0.000 2.110 473 E HA -0.134 4.216 4.350 0.000 0.000 0.193 473 E C 2.027 178.626 176.600 -0.002 0.000 0.988 473 E CA 0.994 57.369 56.400 -0.041 0.000 0.804 473 E CB -0.452 29.182 29.700 -0.109 0.000 0.745 473 E HN 0.495 nan 8.360 nan 0.000 0.458 474 G N 0.617 109.415 108.800 -0.004 0.000 2.418 474 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 474 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 474 G C 1.699 176.627 174.900 0.047 0.000 1.158 474 G CA 1.451 46.563 45.100 0.021 0.000 0.771 474 G HN 0.237 nan 8.290 nan 0.000 0.545 475 T N 0.199 114.791 114.554 0.064 0.000 2.708 475 T HA -0.097 4.253 4.350 0.000 0.000 0.266 475 T C 2.304 177.045 174.700 0.070 0.000 1.037 475 T CA 1.265 63.417 62.100 0.087 0.000 1.146 475 T CB -0.138 68.801 68.868 0.119 0.000 0.865 475 T HN 0.325 nan 8.240 nan 0.000 0.435 476 R N 1.045 121.580 120.500 0.059 0.000 2.096 476 R HA -0.039 4.301 4.340 0.000 0.000 0.235 476 R C 2.514 178.847 176.300 0.056 0.000 1.127 476 R CA 1.430 57.567 56.100 0.063 0.000 0.968 476 R CB -0.415 29.926 30.300 0.069 0.000 0.861 476 R HN 0.380 nan 8.270 nan 0.000 0.440 477 A N 0.429 123.279 122.820 0.050 0.000 1.969 477 A HA -0.003 4.317 4.320 0.000 0.000 0.218 477 A C 2.262 179.848 177.584 0.003 0.000 1.169 477 A CA 1.379 53.437 52.037 0.035 0.000 0.635 477 A CB -0.480 18.542 19.000 0.036 0.000 0.810 477 A HN 0.532 nan 8.150 nan 0.000 0.445 478 A N 0.022 122.850 122.820 0.013 0.000 1.897 478 A HA -0.077 4.243 4.320 0.000 0.000 0.215 478 A C 2.191 179.774 177.584 -0.003 0.000 1.181 478 A CA 1.602 53.638 52.037 -0.003 0.000 0.620 478 A CB -0.441 18.583 19.000 0.039 0.000 0.821 478 A HN 0.544 nan 8.150 nan 0.000 0.443 479 R N -0.412 120.106 120.500 0.030 0.000 2.081 479 R HA -0.084 4.256 4.340 0.000 0.000 0.235 479 R C 1.701 178.014 176.300 0.022 0.000 1.131 479 R CA 1.792 57.916 56.100 0.039 0.000 0.960 479 R CB -0.482 29.850 30.300 0.055 0.000 0.856 479 R HN 0.225 nan 8.270 nan 0.000 0.436 480 V N 0.118 120.040 119.914 0.013 0.000 2.626 480 V HA -0.139 3.981 4.120 0.000 0.000 0.252 480 V C 1.936 178.013 176.094 -0.028 0.000 1.067 480 V CA 1.265 63.569 62.300 0.007 0.000 1.081 480 V CB 0.184 32.018 31.823 0.018 0.000 0.686 480 V HN 0.224 nan 8.190 nan 0.000 0.468 481 V N 1.143 121.009 119.914 -0.079 0.000 3.383 481 V HA -0.017 4.103 4.120 0.000 0.000 0.272 481 V C 0.228 176.213 176.094 -0.182 0.000 1.181 481 V CA 0.738 62.939 62.300 -0.165 0.000 1.171 481 V CB -0.550 31.116 31.823 -0.262 0.000 0.800 481 V HN 0.365 nan 8.190 nan 0.000 0.515 482 L N -0.459 120.726 121.223 -0.064 0.000 2.342 482 L HA 0.565 4.905 4.340 0.000 0.000 0.276 482 L C 0.349 177.247 176.870 0.047 0.000 0.997 482 L CA -1.060 53.802 54.840 0.038 0.000 0.838 482 L CB 0.257 42.407 42.059 0.151 0.000 1.224 482 L HN 0.187 nan 8.230 nan 0.000 0.416 483 E N 0.949 121.176 120.200 0.045 0.000 3.413 483 E HA -0.236 4.114 4.350 0.000 0.000 0.300 483 E C -0.031 176.598 176.600 0.048 0.000 0.891 483 E CA 1.562 57.981 56.400 0.032 0.000 1.050 483 E CB -0.279 29.424 29.700 0.004 0.000 1.534 483 E HN 0.981 nan 8.360 nan 0.000 0.436 484 E N 0.000 120.259 120.200 0.099 0.000 2.725 484 E HA 0.000 4.350 4.350 0.000 0.000 0.291 484 E CA 0.000 56.487 56.400 0.145 0.000 0.976 484 E CB 0.000 29.771 29.700 0.119 0.000 0.812 484 E HN 0.000 nan 8.360 nan 0.000 0.440