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 3c66_1_B DATA FIRST_RESID 3 DATA SEQUENCE SQKVFGITGP VSTVGATAAE NKLNDSLIQE LKKEGSFETE QETANRVQVL DATA SEQUENCE KILQELAQRF VYEVSKKKNM SDGMARDAGG KIFTYGSYRL GVHGPGSDID DATA SEQUENCE TLVVVPKHVT REDFFTVFDS LLRERKELDE IAPVPDAFVP IIKIKFSGIS DATA SEQUENCE IDLICARLDQ PQVPLSLTLS DKNLLRNLDE KDLRALNGTR VTDEILELVP DATA SEQUENCE KPNVFRIALR AIKLWAQRRA VYANIFGFPG GVAWAMLVAR ICQLYPNACS DATA SEQUENCE AVILNRFFII LSEWNWPQPV ILKPIEDGPL QVRVWNPKIY AQDRSHRMPV DATA SEQUENCE ITPAYPSMCA THNITESTKK VILQEFVRGV QITNDIFSNK KSWANLFEKN DATA SEQUENCE DFFFRYKFYL EITAYTRGSD EQHLKWSGLV ESKVRLLVMK LEVLAGIKIA DATA SEQUENCE HPFTKPFESS YCCPTEDDYE MIQDKYGSHK TETALNALKL VTDENKEEES DATA SEQUENCE IKDAPKAYLS TMYIGLDFNI ENKKEKVDIH IPCTEFVNLC RSFNEDYGDH DATA SEQUENCE KVFNLALRFV KGYDLPDEVF DENEKRPSK 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.533 174.600 -0.112 0.000 1.055 3 S CA 0.000 58.155 58.200 -0.075 0.000 1.107 3 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 4 Q N 1.374 121.142 119.800 -0.054 0.000 2.349 4 Q HA 0.049 4.387 4.340 -0.003 0.000 0.209 4 Q C 1.949 177.892 176.000 -0.095 0.000 0.920 4 Q CA 1.299 57.109 55.803 0.012 0.000 0.901 4 Q CB -0.004 28.792 28.738 0.097 0.000 1.021 4 Q HN 0.864 nan 8.270 nan 0.000 0.519 5 K N 0.149 120.488 120.400 -0.102 0.000 2.228 5 K HA -0.103 4.215 4.320 -0.003 0.000 0.205 5 K C 1.688 178.194 176.600 -0.157 0.000 1.045 5 K CA 1.363 57.596 56.287 -0.090 0.000 0.931 5 K CB -0.479 31.978 32.500 -0.073 0.000 0.727 5 K HN -0.060 nan 8.250 nan 0.000 0.458 6 V N 0.989 120.702 119.914 -0.335 0.000 2.913 6 V HA -0.139 3.979 4.120 -0.003 0.000 0.260 6 V C 0.995 176.838 176.094 -0.419 0.000 1.098 6 V CA 1.271 63.303 62.300 -0.446 0.000 1.121 6 V CB -0.568 30.893 31.823 -0.604 0.000 0.714 6 V HN 0.298 nan 8.190 nan 0.000 0.487 7 F N 0.061 120.010 119.950 -0.002 0.000 2.664 7 F HA 0.598 5.123 4.527 -0.003 0.000 0.303 7 F C 1.308 177.105 175.800 -0.005 0.000 1.092 7 F CA 0.087 58.084 58.000 -0.005 0.000 1.305 7 F CB -0.533 38.460 39.000 -0.012 0.000 1.054 7 F HN 0.166 nan 8.300 nan 0.000 0.565 8 G N 1.610 110.474 108.800 0.106 0.000 2.796 8 G HA2 -0.254 3.705 3.960 -0.003 0.000 0.571 8 G HA3 -0.254 3.705 3.960 -0.003 0.000 0.571 8 G C 0.678 175.625 174.900 0.078 0.000 1.370 8 G CA -0.344 44.803 45.100 0.079 0.000 0.856 8 G HN 0.514 nan 8.290 nan 0.000 0.538 9 I N -2.398 118.212 120.570 0.067 0.000 3.291 9 I HA 0.219 4.388 4.170 -0.003 0.000 0.279 9 I C 1.879 178.024 176.117 0.045 0.000 1.294 9 I CA 1.828 63.162 61.300 0.057 0.000 1.428 9 I CB -0.168 37.869 38.000 0.062 0.000 1.070 9 I HN 0.831 nan 8.210 nan 0.000 0.478 10 T N -2.147 112.432 114.554 0.041 0.000 3.091 10 T HA 0.575 4.923 4.350 -0.003 0.000 0.277 10 T C 0.927 175.631 174.700 0.006 0.000 0.996 10 T CA 0.172 62.279 62.100 0.012 0.000 0.897 10 T CB -0.116 68.744 68.868 -0.013 0.000 1.109 10 T HN 0.790 nan 8.240 nan 0.000 0.534 11 G N 2.488 111.314 108.800 0.042 0.000 2.804 11 G HA2 -0.057 3.901 3.960 -0.003 0.000 0.230 11 G HA3 -0.057 3.901 3.960 -0.003 0.000 0.230 11 G C -2.896 171.989 174.900 -0.024 0.000 1.386 11 G CA -0.666 44.456 45.100 0.037 0.000 0.875 11 G HN 0.500 nan 8.290 nan 0.000 0.557 12 P HA 0.378 nan 4.420 nan 0.000 0.272 12 P C 1.086 178.255 177.300 -0.218 0.000 1.223 12 P CA -0.387 62.609 63.100 -0.173 0.000 0.784 12 P CB 0.998 32.549 31.700 -0.248 0.000 0.923 13 V N 0.061 119.756 119.914 -0.365 0.000 2.649 13 V HA -0.010 4.109 4.120 -0.003 0.000 0.248 13 V C 1.035 176.986 176.094 -0.239 0.000 1.054 13 V CA 1.740 63.834 62.300 -0.343 0.000 1.073 13 V CB -0.099 31.399 31.823 -0.542 0.000 0.699 13 V HN 0.696 nan 8.190 nan 0.000 0.463 14 S N -1.417 114.129 115.700 -0.256 0.000 2.562 14 S HA 0.294 4.763 4.470 -0.003 0.000 0.274 14 S C 0.533 175.110 174.600 -0.039 0.000 1.160 14 S CA 0.111 58.268 58.200 -0.071 0.000 0.933 14 S CB 1.900 65.154 63.200 0.090 0.000 1.100 14 S HN 0.430 nan 8.310 nan 0.000 0.468 15 T N 0.822 115.349 114.554 -0.046 0.000 3.086 15 T HA 0.253 4.601 4.350 -0.003 0.000 0.250 15 T C 0.683 175.397 174.700 0.023 0.000 1.074 15 T CA 0.019 62.095 62.100 -0.039 0.000 0.988 15 T CB -0.151 68.653 68.868 -0.107 0.000 0.988 15 T HN 0.409 nan 8.240 nan 0.000 0.530 16 V N 2.580 122.521 119.914 0.046 0.000 2.617 16 V HA 0.403 4.522 4.120 -0.003 0.000 0.304 16 V C 1.460 177.603 176.094 0.082 0.000 1.040 16 V CA 0.176 62.512 62.300 0.060 0.000 1.149 16 V CB 0.144 32.006 31.823 0.065 0.000 0.914 16 V HN 0.645 nan 8.190 nan 0.000 0.487 17 G N 3.371 112.211 108.800 0.068 0.000 2.580 17 G HA2 0.551 4.509 3.960 -0.003 0.000 0.278 17 G HA3 0.551 4.509 3.960 -0.003 0.000 0.278 17 G C 0.077 175.021 174.900 0.073 0.000 1.212 17 G CA -0.133 45.011 45.100 0.072 0.000 0.939 17 G HN 1.173 nan 8.290 nan 0.000 0.513 18 A N -0.174 122.689 122.820 0.071 0.000 2.425 18 A HA 0.565 4.883 4.320 -0.003 0.000 0.249 18 A C 1.047 178.665 177.584 0.057 0.000 1.084 18 A CA 0.459 52.538 52.037 0.071 0.000 0.781 18 A CB -0.089 18.951 19.000 0.068 0.000 1.019 18 A HN 1.314 nan 8.150 nan 0.000 0.490 19 T N -1.022 113.567 114.554 0.058 0.000 2.902 19 T HA 0.536 4.884 4.350 -0.003 0.000 0.280 19 T C 1.267 175.986 174.700 0.032 0.000 0.992 19 T CA -0.055 62.071 62.100 0.044 0.000 1.015 19 T CB 1.312 70.208 68.868 0.047 0.000 1.044 19 T HN 1.255 nan 8.240 nan 0.000 0.520 20 A N 0.964 123.797 122.820 0.022 0.000 2.024 20 A HA 0.150 4.468 4.320 -0.003 0.000 0.220 20 A C 2.539 180.125 177.584 0.003 0.000 1.164 20 A CA 1.838 53.883 52.037 0.013 0.000 0.643 20 A CB -1.453 17.554 19.000 0.011 0.000 0.806 20 A HN 1.230 nan 8.150 nan 0.000 0.451 21 A N -0.367 122.453 122.820 0.001 0.000 1.929 21 A HA -0.055 4.264 4.320 -0.003 0.000 0.216 21 A C 1.881 179.432 177.584 -0.055 0.000 1.176 21 A CA 1.477 53.500 52.037 -0.024 0.000 0.628 21 A CB -0.356 18.633 19.000 -0.017 0.000 0.816 21 A HN 0.593 nan 8.150 nan 0.000 0.444 22 E N 0.224 120.412 120.200 -0.020 0.000 2.047 22 E HA -0.163 4.185 4.350 -0.003 0.000 0.191 22 E C 1.835 178.431 176.600 -0.005 0.000 0.987 22 E CA 1.352 57.737 56.400 -0.024 0.000 0.799 22 E CB -0.282 29.468 29.700 0.083 0.000 0.752 22 E HN 0.738 nan 8.360 nan 0.000 0.449 23 N N 0.652 119.361 118.700 0.014 0.000 2.061 23 N HA -0.245 4.493 4.740 -0.003 0.000 0.193 23 N C 1.770 177.287 175.510 0.011 0.000 1.030 23 N CA 1.314 54.374 53.050 0.017 0.000 0.856 23 N CB -0.074 38.424 38.487 0.017 0.000 1.023 23 N HN -0.015 nan 8.380 nan 0.000 0.424 24 K N 1.075 121.474 120.400 -0.000 0.000 2.103 24 K HA -0.084 4.234 4.320 -0.003 0.000 0.207 24 K C 1.739 178.351 176.600 0.020 0.000 1.048 24 K CA 0.950 57.238 56.287 0.002 0.000 0.930 24 K CB -0.008 32.484 32.500 -0.012 0.000 0.716 24 K HN 0.155 nan 8.250 nan 0.000 0.444 25 L N 0.591 121.812 121.223 -0.003 0.000 2.156 25 L HA -0.114 4.224 4.340 -0.003 0.000 0.208 25 L C 2.430 179.430 176.870 0.217 0.000 1.095 25 L CA 0.881 55.769 54.840 0.080 0.000 0.770 25 L CB -0.506 41.448 42.059 -0.176 0.000 0.914 25 L HN 0.389 nan 8.230 nan 0.000 0.439 26 N N 0.160 118.910 118.700 0.085 0.000 2.223 26 N HA -0.196 4.542 4.740 -0.003 0.000 0.185 26 N C 1.196 176.702 175.510 -0.007 0.000 1.016 26 N CA 1.335 54.398 53.050 0.022 0.000 0.863 26 N CB 0.133 38.630 38.487 0.017 0.000 0.983 26 N HN 0.304 nan 8.380 nan 0.000 0.429 27 D N 0.214 120.628 120.400 0.024 0.000 2.097 27 D HA -0.083 4.555 4.640 -0.003 0.000 0.195 27 D C 2.039 178.361 176.300 0.037 0.000 0.989 27 D CA 0.977 54.988 54.000 0.018 0.000 0.827 27 D CB -0.487 40.326 40.800 0.021 0.000 0.966 27 D HN 0.178 nan 8.370 nan 0.000 0.456 28 S N 0.847 116.612 115.700 0.108 0.000 2.365 28 S HA -0.178 4.290 4.470 -0.003 0.000 0.225 28 S C 1.920 176.575 174.600 0.092 0.000 1.039 28 S CA 0.673 58.992 58.200 0.198 0.000 1.033 28 S CB -0.437 63.004 63.200 0.401 0.000 0.887 28 S HN 0.187 nan 8.310 nan 0.000 0.447 29 L N 1.998 123.092 121.223 -0.214 0.000 1.970 29 L HA -0.042 4.296 4.340 -0.003 0.000 0.212 29 L C 2.057 178.760 176.870 -0.277 0.000 1.071 29 L CA 1.662 56.062 54.840 -0.733 0.000 0.751 29 L CB -0.679 40.781 42.059 -0.998 0.000 0.889 29 L HN 0.279 nan 8.230 nan 0.000 0.432 30 I N -0.892 119.594 120.570 -0.139 0.000 2.163 30 I HA -0.330 3.838 4.170 -0.003 0.000 0.243 30 I C 2.529 178.672 176.117 0.044 0.000 1.085 30 I CA 1.197 62.492 61.300 -0.008 0.000 1.347 30 I CB -0.338 37.659 38.000 -0.005 0.000 1.044 30 I HN 0.375 nan 8.210 nan 0.000 0.408 31 Q N 0.447 120.260 119.800 0.022 0.000 2.135 31 Q HA -0.260 4.079 4.340 -0.003 0.000 0.204 31 Q C 2.000 178.031 176.000 0.052 0.000 0.981 31 Q CA 1.584 57.412 55.803 0.042 0.000 0.856 31 Q CB -0.233 28.532 28.738 0.045 0.000 0.902 31 Q HN 0.341 nan 8.270 nan 0.000 0.425 32 E N -0.425 119.807 120.200 0.052 0.000 2.208 32 E HA -0.069 4.279 4.350 -0.003 0.000 0.193 32 E C 1.543 178.137 176.600 -0.011 0.000 0.988 32 E CA 0.689 57.138 56.400 0.082 0.000 0.828 32 E CB -0.124 29.703 29.700 0.212 0.000 0.763 32 E HN 0.367 nan 8.360 nan 0.000 0.478 33 L N -0.005 121.181 121.223 -0.060 0.000 2.072 33 L HA -0.097 4.242 4.340 -0.003 0.000 0.205 33 L C 2.409 179.222 176.870 -0.095 0.000 1.079 33 L CA 1.118 55.853 54.840 -0.175 0.000 0.752 33 L CB -0.280 41.656 42.059 -0.204 0.000 0.906 33 L HN 0.072 nan 8.230 nan 0.000 0.436 34 K N 0.225 120.683 120.400 0.097 0.000 2.002 34 K HA -0.238 4.080 4.320 -0.003 0.000 0.209 34 K C 2.143 178.765 176.600 0.038 0.000 1.048 34 K CA 1.323 57.700 56.287 0.150 0.000 0.930 34 K CB -0.167 32.414 32.500 0.135 0.000 0.714 34 K HN 0.100 nan 8.250 nan 0.000 0.438 35 K N 1.052 121.464 120.400 0.020 0.000 2.228 35 K HA -0.196 4.123 4.320 -0.003 0.000 0.205 35 K C 1.135 177.718 176.600 -0.029 0.000 1.045 35 K CA 1.413 57.704 56.287 0.005 0.000 0.931 35 K CB 0.147 32.661 32.500 0.024 0.000 0.727 35 K HN 0.183 nan 8.250 nan 0.000 0.458 36 E N -0.958 119.196 120.200 -0.078 0.000 2.474 36 E HA 0.041 4.389 4.350 -0.003 0.000 0.195 36 E C 0.550 177.065 176.600 -0.142 0.000 1.039 36 E CA 0.525 56.849 56.400 -0.127 0.000 0.881 36 E CB 0.755 30.323 29.700 -0.220 0.000 0.970 36 E HN 0.500 nan 8.360 nan 0.000 0.486 37 G N 2.333 111.069 108.800 -0.107 0.000 2.246 37 G HA2 -0.321 3.638 3.960 -0.003 0.000 0.273 37 G HA3 -0.321 3.638 3.960 -0.003 0.000 0.273 37 G C 0.906 175.699 174.900 -0.178 0.000 1.055 37 G CA 0.783 45.825 45.100 -0.096 0.000 0.851 37 G HN 0.323 nan 8.290 nan 0.000 0.500 38 S N -1.341 114.175 115.700 -0.307 0.000 2.406 38 S HA 0.307 4.775 4.470 -0.003 0.000 0.228 38 S C 0.927 175.199 174.600 -0.546 0.000 1.020 38 S CA 0.534 58.425 58.200 -0.515 0.000 0.965 38 S CB -0.094 62.633 63.200 -0.788 0.000 0.798 38 S HN 0.428 nan 8.310 nan 0.000 0.488 39 F N 2.581 122.444 119.950 -0.144 0.000 2.421 39 F HA 0.402 4.928 4.527 -0.003 0.000 0.337 39 F C 0.491 176.229 175.800 -0.103 0.000 1.105 39 F CA -1.170 56.743 58.000 -0.145 0.000 1.049 39 F CB 1.023 39.951 39.000 -0.120 0.000 1.139 39 F HN 0.208 nan 8.300 nan 0.000 0.479 40 E N 0.309 120.565 120.200 0.092 0.000 2.322 40 E HA 0.396 4.744 4.350 -0.003 0.000 0.257 40 E C -0.499 176.147 176.600 0.076 0.000 1.155 40 E CA -0.894 55.548 56.400 0.071 0.000 0.936 40 E CB 1.058 30.806 29.700 0.080 0.000 1.130 40 E HN 0.570 nan 8.360 nan 0.000 0.465 41 T N -1.236 113.354 114.554 0.059 0.000 2.899 41 T HA 0.071 4.419 4.350 -0.003 0.000 0.295 41 T C 0.976 175.708 174.700 0.053 0.000 1.033 41 T CA -0.487 61.639 62.100 0.044 0.000 1.084 41 T CB 1.118 70.005 68.868 0.032 0.000 0.979 41 T HN 0.574 nan 8.240 nan 0.000 0.532 42 E N 0.552 120.774 120.200 0.036 0.000 2.169 42 E HA -0.264 4.084 4.350 -0.003 0.000 0.202 42 E C 2.114 178.746 176.600 0.053 0.000 1.016 42 E CA 1.351 57.776 56.400 0.042 0.000 0.817 42 E CB -0.044 29.669 29.700 0.022 0.000 0.736 42 E HN 0.609 nan 8.360 nan 0.000 0.462 43 Q N 0.634 120.460 119.800 0.043 0.000 2.050 43 Q HA -0.169 4.169 4.340 -0.003 0.000 0.202 43 Q C 1.936 177.969 176.000 0.055 0.000 0.980 43 Q CA 1.336 57.165 55.803 0.042 0.000 0.840 43 Q CB -0.104 28.653 28.738 0.030 0.000 0.898 43 Q HN 0.410 nan 8.270 nan 0.000 0.424 44 E N -0.700 119.538 120.200 0.064 0.000 2.118 44 E HA -0.142 4.206 4.350 -0.003 0.000 0.195 44 E C 1.967 178.634 176.600 0.112 0.000 0.992 44 E CA 1.568 58.016 56.400 0.080 0.000 0.804 44 E CB 0.015 29.765 29.700 0.084 0.000 0.741 44 E HN 0.292 nan 8.360 nan 0.000 0.458 45 T N 0.588 115.225 114.554 0.138 0.000 2.701 45 T HA -0.125 4.223 4.350 -0.003 0.000 0.263 45 T C 2.022 176.800 174.700 0.129 0.000 1.040 45 T CA 1.196 63.406 62.100 0.184 0.000 1.147 45 T CB -0.278 68.707 68.868 0.194 0.000 0.865 45 T HN 0.266 nan 8.240 nan 0.000 0.426 46 A N 2.255 125.130 122.820 0.091 0.000 1.978 46 A HA -0.177 4.141 4.320 -0.003 0.000 0.220 46 A C 2.230 179.848 177.584 0.058 0.000 1.170 46 A CA 1.475 53.553 52.037 0.067 0.000 0.636 46 A CB -0.602 18.429 19.000 0.050 0.000 0.810 46 A HN 0.370 nan 8.150 nan 0.000 0.448 47 N N -0.103 118.631 118.700 0.057 0.000 2.080 47 N HA -0.123 4.615 4.740 -0.003 0.000 0.189 47 N C 1.863 177.394 175.510 0.035 0.000 1.036 47 N CA 1.402 54.481 53.050 0.048 0.000 0.846 47 N CB -0.461 38.055 38.487 0.047 0.000 1.015 47 N HN 0.531 nan 8.380 nan 0.000 0.423 48 R N 0.541 121.056 120.500 0.026 0.000 2.112 48 R HA -0.099 4.239 4.340 -0.003 0.000 0.242 48 R C 2.208 178.473 176.300 -0.058 0.000 1.137 48 R CA 1.285 57.352 56.100 -0.055 0.000 0.944 48 R CB -0.803 29.455 30.300 -0.071 0.000 0.857 48 R HN 0.041 nan 8.270 nan 0.000 0.435 49 V N 1.171 121.101 119.914 0.027 0.000 2.282 49 V HA -0.314 3.804 4.120 -0.003 0.000 0.249 49 V C 2.463 178.563 176.094 0.010 0.000 1.057 49 V CA 2.199 64.523 62.300 0.039 0.000 1.032 49 V CB -0.580 31.286 31.823 0.071 0.000 0.645 49 V HN 0.330 nan 8.190 nan 0.000 0.447 50 Q N 0.051 119.864 119.800 0.022 0.000 2.096 50 Q HA -0.177 4.161 4.340 -0.003 0.000 0.204 50 Q C 2.018 178.029 176.000 0.019 0.000 0.982 50 Q CA 2.345 58.165 55.803 0.028 0.000 0.850 50 Q CB -0.682 28.084 28.738 0.046 0.000 0.901 50 Q HN 0.474 nan 8.270 nan 0.000 0.422 51 V N 0.390 120.310 119.914 0.009 0.000 2.343 51 V HA -0.261 3.857 4.120 -0.003 0.000 0.247 51 V C 2.330 178.322 176.094 -0.169 0.000 1.051 51 V CA 1.805 64.071 62.300 -0.057 0.000 1.036 51 V CB -0.604 31.200 31.823 -0.031 0.000 0.654 51 V HN 0.380 nan 8.190 nan 0.000 0.451 52 L N -0.381 120.764 121.223 -0.129 0.000 2.093 52 L HA -0.178 4.160 4.340 -0.003 0.000 0.208 52 L C 2.629 179.451 176.870 -0.080 0.000 1.085 52 L CA 1.612 56.380 54.840 -0.120 0.000 0.755 52 L CB -0.688 41.315 42.059 -0.094 0.000 0.904 52 L HN 0.294 nan 8.230 nan 0.000 0.435 53 K N 0.926 121.297 120.400 -0.049 0.000 2.074 53 K HA -0.210 4.108 4.320 -0.003 0.000 0.209 53 K C 2.050 178.631 176.600 -0.032 0.000 1.048 53 K CA 1.669 57.939 56.287 -0.028 0.000 0.926 53 K CB -0.143 32.353 32.500 -0.006 0.000 0.713 53 K HN 0.278 nan 8.250 nan 0.000 0.444 54 I N 0.933 121.474 120.570 -0.048 0.000 2.439 54 I HA -0.245 3.924 4.170 -0.003 0.000 0.251 54 I C 2.120 178.183 176.117 -0.090 0.000 1.139 54 I CA 0.662 61.935 61.300 -0.045 0.000 1.438 54 I CB -0.037 37.965 38.000 0.004 0.000 1.085 54 I HN 0.148 nan 8.210 nan 0.000 0.427 55 L N 0.050 121.179 121.223 -0.156 0.000 2.141 55 L HA -0.205 4.133 4.340 -0.003 0.000 0.209 55 L C 2.613 179.505 176.870 0.037 0.000 1.094 55 L CA 0.944 55.733 54.840 -0.086 0.000 0.763 55 L CB -0.463 41.520 42.059 -0.126 0.000 0.908 55 L HN 0.278 nan 8.230 nan 0.000 0.437 56 Q N 0.936 120.733 119.800 -0.004 0.000 1.993 56 Q HA -0.229 4.109 4.340 -0.003 0.000 0.202 56 Q C 1.913 177.940 176.000 0.044 0.000 0.984 56 Q CA 1.881 57.689 55.803 0.008 0.000 0.837 56 Q CB -0.155 28.564 28.738 -0.031 0.000 0.902 56 Q HN 0.414 nan 8.270 nan 0.000 0.423 57 E N -0.401 119.816 120.200 0.028 0.000 2.086 57 E HA -0.222 4.126 4.350 -0.003 0.000 0.200 57 E C 1.891 178.540 176.600 0.081 0.000 1.012 57 E CA 1.372 57.794 56.400 0.037 0.000 0.812 57 E CB -0.225 29.486 29.700 0.020 0.000 0.743 57 E HN 0.232 nan 8.360 nan 0.000 0.453 58 L N 0.421 121.704 121.223 0.099 0.000 2.131 58 L HA -0.148 4.190 4.340 -0.003 0.000 0.210 58 L C 2.235 179.332 176.870 0.378 0.000 1.092 58 L CA 1.674 56.612 54.840 0.162 0.000 0.759 58 L CB -0.720 41.373 42.059 0.057 0.000 0.903 58 L HN 0.088 nan 8.230 nan 0.000 0.435 59 A N -1.523 121.522 122.820 0.374 0.000 1.929 59 A HA -0.203 4.115 4.320 -0.003 0.000 0.216 59 A C 2.203 179.963 177.584 0.293 0.000 1.176 59 A CA 1.235 53.510 52.037 0.396 0.000 0.628 59 A CB -0.355 18.757 19.000 0.187 0.000 0.816 59 A HN 0.513 nan 8.150 nan 0.000 0.444 60 Q N -1.145 118.765 119.800 0.184 0.000 2.119 60 Q HA -0.156 4.182 4.340 -0.003 0.000 0.201 60 Q C 2.318 178.434 176.000 0.192 0.000 0.972 60 Q CA 1.455 57.341 55.803 0.138 0.000 0.847 60 Q CB -0.125 28.660 28.738 0.078 0.000 0.903 60 Q HN 0.562 nan 8.270 nan 0.000 0.433 61 R N 0.341 120.966 120.500 0.208 0.000 2.081 61 R HA -0.153 4.185 4.340 -0.003 0.000 0.235 61 R C 1.934 178.444 176.300 0.350 0.000 1.131 61 R CA 1.150 57.387 56.100 0.229 0.000 0.960 61 R CB -0.466 29.932 30.300 0.164 0.000 0.856 61 R HN 0.232 nan 8.270 nan 0.000 0.436 62 F N 0.116 120.200 119.950 0.223 0.000 2.069 62 F HA -0.175 4.350 4.527 -0.003 0.000 0.298 62 F C 1.732 177.642 175.800 0.183 0.000 1.113 62 F CA 1.594 59.742 58.000 0.246 0.000 1.214 62 F CB -0.781 38.455 39.000 0.392 0.000 0.978 62 F HN -0.135 nan 8.300 nan 0.000 0.474 63 V N -0.385 119.464 119.914 -0.108 0.000 2.453 63 V HA -0.265 3.853 4.120 -0.003 0.000 0.247 63 V C 2.153 178.248 176.094 0.001 0.000 1.048 63 V CA 1.781 63.932 62.300 -0.249 0.000 1.049 63 V CB -1.246 30.458 31.823 -0.199 0.000 0.672 63 V HN 0.510 nan 8.190 nan 0.000 0.457 64 Y N 1.537 121.845 120.300 0.013 0.000 2.102 64 Y HA -0.318 4.231 4.550 -0.003 0.000 0.280 64 Y C 2.517 178.450 175.900 0.054 0.000 1.178 64 Y CA 2.436 60.562 58.100 0.044 0.000 1.146 64 Y CB -0.094 38.399 38.460 0.055 0.000 0.968 64 Y HN 0.336 nan 8.280 nan 0.000 0.504 65 E N -1.194 119.102 120.200 0.161 0.000 2.216 65 E HA -0.110 4.238 4.350 -0.003 0.000 0.192 65 E C 2.140 178.762 176.600 0.036 0.000 0.988 65 E CA 1.022 57.481 56.400 0.097 0.000 0.834 65 E CB -0.013 29.812 29.700 0.208 0.000 0.772 65 E HN 0.332 nan 8.360 nan 0.000 0.479 66 V N 0.599 120.536 119.914 0.039 0.000 2.453 66 V HA -0.187 3.932 4.120 -0.003 0.000 0.247 66 V C 2.053 178.175 176.094 0.047 0.000 1.048 66 V CA 1.622 63.946 62.300 0.039 0.000 1.049 66 V CB -0.151 31.654 31.823 -0.030 0.000 0.672 66 V HN 0.196 nan 8.190 nan 0.000 0.457 67 S N -0.370 115.342 115.700 0.021 0.000 2.402 67 S HA -0.125 4.343 4.470 -0.003 0.000 0.229 67 S C 1.991 176.499 174.600 -0.154 0.000 1.021 67 S CA 0.938 59.116 58.200 -0.036 0.000 0.974 67 S CB -0.183 62.992 63.200 -0.041 0.000 0.800 67 S HN 0.500 nan 8.310 nan 0.000 0.484 68 K N 1.722 121.998 120.400 -0.208 0.000 2.062 68 K HA 0.069 4.387 4.320 -0.003 0.000 0.205 68 K C 1.744 178.289 176.600 -0.090 0.000 1.051 68 K CA 0.808 56.976 56.287 -0.198 0.000 0.941 68 K CB -0.257 32.094 32.500 -0.249 0.000 0.719 68 K HN 0.317 nan 8.250 nan 0.000 0.440 69 K N 1.014 121.388 120.400 -0.044 0.000 2.519 69 K HA -0.064 4.255 4.320 -0.003 0.000 0.196 69 K C 1.104 177.696 176.600 -0.014 0.000 1.041 69 K CA 0.702 56.984 56.287 -0.009 0.000 0.954 69 K CB 0.128 32.642 32.500 0.024 0.000 0.774 69 K HN 0.058 nan 8.250 nan 0.000 0.480 70 K N 0.838 121.217 120.400 -0.036 0.000 2.498 70 K HA 0.104 4.422 4.320 -0.003 0.000 0.207 70 K C -0.421 176.133 176.600 -0.077 0.000 1.033 70 K CA -0.097 56.161 56.287 -0.047 0.000 1.138 70 K CB 0.488 32.958 32.500 -0.050 0.000 0.860 70 K HN 0.125 nan 8.250 nan 0.000 0.490 71 N N 0.948 119.605 118.700 -0.071 0.000 2.741 71 N HA -0.180 4.558 4.740 -0.003 0.000 0.250 71 N C -0.274 175.182 175.510 -0.090 0.000 1.115 71 N CA 1.012 54.020 53.050 -0.069 0.000 0.724 71 N CB -1.391 37.067 38.487 -0.049 0.000 1.090 71 N HN 0.363 nan 8.380 nan 0.000 0.558 72 M N 0.811 120.336 119.600 -0.125 0.000 2.233 72 M HA 0.121 4.599 4.480 -0.003 0.000 0.350 72 M C 1.259 177.493 176.300 -0.110 0.000 1.176 72 M CA -0.091 55.130 55.300 -0.132 0.000 1.150 72 M CB 0.842 33.335 32.600 -0.179 0.000 1.530 72 M HN 0.198 nan 8.290 nan 0.000 0.459 73 S N 0.902 116.557 115.700 -0.075 0.000 2.569 73 S HA 0.001 4.469 4.470 -0.003 0.000 0.274 73 S C 0.382 174.954 174.600 -0.046 0.000 1.353 73 S CA -0.481 57.692 58.200 -0.046 0.000 1.023 73 S CB 0.533 63.719 63.200 -0.023 0.000 0.876 73 S HN 0.654 nan 8.310 nan 0.000 0.540 74 D N 2.144 122.545 120.400 0.002 0.000 2.133 74 D HA -0.023 4.616 4.640 -0.003 0.000 0.195 74 D C 2.137 178.509 176.300 0.120 0.000 0.997 74 D CA 1.798 55.849 54.000 0.086 0.000 0.840 74 D CB -1.083 39.811 40.800 0.156 0.000 0.947 74 D HN 0.745 nan 8.370 nan 0.000 0.452 75 G N 0.479 109.319 108.800 0.067 0.000 2.514 75 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.217 75 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.217 75 G C 1.638 176.564 174.900 0.043 0.000 1.198 75 G CA 0.906 46.040 45.100 0.057 0.000 0.780 75 G HN 0.195 nan 8.290 nan 0.000 0.565 76 M N 0.580 120.182 119.600 0.003 0.000 2.086 76 M HA -0.027 4.452 4.480 -0.003 0.000 0.261 76 M C 3.097 179.388 176.300 -0.015 0.000 1.067 76 M CA 1.386 56.675 55.300 -0.017 0.000 1.116 76 M CB -0.274 32.292 32.600 -0.056 0.000 1.348 76 M HN 0.341 nan 8.290 nan 0.000 0.407 77 A N 0.507 123.290 122.820 -0.062 0.000 1.903 77 A HA -0.262 4.056 4.320 -0.003 0.000 0.219 77 A C 2.087 179.737 177.584 0.111 0.000 1.191 77 A CA 2.141 54.114 52.037 -0.106 0.000 0.638 77 A CB -0.816 17.905 19.000 -0.465 0.000 0.823 77 A HN 0.469 nan 8.150 nan 0.000 0.451 78 R N -0.711 119.930 120.500 0.234 0.000 2.070 78 R HA -0.135 4.203 4.340 -0.003 0.000 0.233 78 R C 1.675 178.054 176.300 0.131 0.000 1.137 78 R CA 1.611 57.860 56.100 0.248 0.000 0.945 78 R CB -0.463 29.947 30.300 0.184 0.000 0.845 78 R HN 0.493 nan 8.270 nan 0.000 0.430 79 D N 0.343 120.795 120.400 0.086 0.000 2.263 79 D HA -0.088 4.551 4.640 -0.003 0.000 0.208 79 D C 1.577 177.912 176.300 0.058 0.000 0.971 79 D CA 1.057 55.091 54.000 0.057 0.000 0.867 79 D CB -0.175 40.648 40.800 0.038 0.000 0.929 79 D HN 0.264 nan 8.370 nan 0.000 0.492 80 A N 0.364 123.228 122.820 0.074 0.000 2.076 80 A HA 0.157 4.475 4.320 -0.003 0.000 0.220 80 A C 1.812 179.431 177.584 0.059 0.000 1.160 80 A CA 1.833 53.928 52.037 0.095 0.000 0.653 80 A CB -0.682 18.416 19.000 0.164 0.000 0.801 80 A HN 0.344 nan 8.150 nan 0.000 0.455 81 G N -1.284 107.554 108.800 0.063 0.000 2.565 81 G HA2 0.259 4.217 3.960 -0.003 0.000 0.295 81 G HA3 0.259 4.217 3.960 -0.003 0.000 0.295 81 G C 1.212 176.128 174.900 0.025 0.000 1.165 81 G CA 0.740 45.867 45.100 0.044 0.000 0.977 81 G HN 2.635 nan 8.290 nan 0.000 0.546 82 G N -0.973 107.829 108.800 0.004 0.000 3.226 82 G HA2 0.525 4.483 3.960 -0.003 0.000 0.685 82 G HA3 0.525 4.483 3.960 -0.003 0.000 0.685 82 G C -0.767 174.137 174.900 0.006 0.000 1.207 82 G CA 0.781 45.875 45.100 -0.010 0.000 0.877 82 G HN 1.715 nan 8.290 nan 0.000 0.585 83 K N 1.157 121.560 120.400 0.006 0.000 2.532 83 K HA 0.769 5.087 4.320 -0.003 0.000 0.265 83 K C -1.269 175.287 176.600 -0.073 0.000 0.948 83 K CA -1.154 55.094 56.287 -0.065 0.000 0.842 83 K CB 2.015 34.435 32.500 -0.133 0.000 1.392 83 K HN 0.537 nan 8.250 nan 0.000 0.436 84 I N 3.135 123.592 120.570 -0.189 0.000 2.460 84 I HA 0.466 4.634 4.170 -0.003 0.000 0.298 84 I C -1.373 174.554 176.117 -0.316 0.000 0.989 84 I CA -0.341 60.892 61.300 -0.112 0.000 1.173 84 I CB 0.958 38.922 38.000 -0.060 0.000 1.338 84 I HN 0.515 nan 8.210 nan 0.000 0.456 85 F N 3.330 123.303 119.950 0.038 0.000 2.576 85 F HA 0.574 5.100 4.527 -0.003 0.000 0.313 85 F C 0.281 176.164 175.800 0.139 0.000 1.078 85 F CA -0.662 57.382 58.000 0.074 0.000 0.921 85 F CB 2.141 41.173 39.000 0.053 0.000 1.232 85 F HN 0.398 nan 8.300 nan 0.000 0.459 86 T N -0.611 114.152 114.554 0.348 0.000 2.952 86 T HA 0.789 5.137 4.350 -0.003 0.000 0.286 86 T C -0.954 174.000 174.700 0.422 0.000 1.024 86 T CA -0.490 61.809 62.100 0.332 0.000 1.029 86 T CB 1.887 70.938 68.868 0.305 0.000 1.094 86 T HN 0.680 nan 8.240 nan 0.000 0.515 87 Y N -1.727 118.666 120.300 0.156 0.000 2.829 87 Y HA 0.715 5.263 4.550 -0.003 0.000 0.322 87 Y C 0.685 176.663 175.900 0.131 0.000 1.357 87 Y CA -0.743 57.431 58.100 0.123 0.000 1.081 87 Y CB 0.339 38.849 38.460 0.083 0.000 1.339 87 Y HN 1.236 nan 8.280 nan 0.000 0.469 88 G N 0.870 109.777 108.800 0.179 0.000 2.564 88 G HA2 -0.336 3.623 3.960 -0.003 0.000 0.273 88 G HA3 -0.336 3.623 3.960 -0.003 0.000 0.273 88 G C 0.807 175.776 174.900 0.115 0.000 1.242 88 G CA 0.503 45.659 45.100 0.092 0.000 0.951 88 G HN 1.057 nan 8.290 nan 0.000 0.564 89 S N -1.005 114.760 115.700 0.109 0.000 2.359 89 S HA -0.195 4.273 4.470 -0.003 0.000 0.223 89 S C 1.902 176.605 174.600 0.171 0.000 1.039 89 S CA 2.557 60.846 58.200 0.148 0.000 1.042 89 S CB -0.474 62.814 63.200 0.147 0.000 0.915 89 S HN 0.730 nan 8.310 nan 0.000 0.439 90 Y N 2.204 122.508 120.300 0.008 0.000 2.181 90 Y HA -0.126 4.422 4.550 -0.003 0.000 0.288 90 Y C 2.432 178.302 175.900 -0.049 0.000 1.146 90 Y CA 2.000 60.015 58.100 -0.142 0.000 1.164 90 Y CB -0.297 38.012 38.460 -0.252 0.000 0.982 90 Y HN 0.066 nan 8.280 nan 0.000 0.515 91 R N 0.598 121.112 120.500 0.023 0.000 2.092 91 R HA -0.070 4.268 4.340 -0.003 0.000 0.231 91 R C 1.890 178.188 176.300 -0.003 0.000 1.119 91 R CA 1.769 57.871 56.100 0.003 0.000 0.970 91 R CB -0.823 29.574 30.300 0.161 0.000 0.864 91 R HN 0.526 nan 8.270 nan 0.000 0.440 92 L N -0.780 120.490 121.223 0.079 0.000 2.376 92 L HA 0.167 4.505 4.340 -0.003 0.000 0.219 92 L C 1.095 178.052 176.870 0.145 0.000 1.133 92 L CA 0.772 55.707 54.840 0.159 0.000 0.816 92 L CB -0.168 42.040 42.059 0.249 0.000 0.933 92 L HN 0.625 nan 8.230 nan 0.000 0.449 93 G N 0.216 109.065 108.800 0.082 0.000 2.137 93 G HA2 -0.244 3.715 3.960 -0.003 0.000 0.237 93 G HA3 -0.244 3.715 3.960 -0.003 0.000 0.237 93 G C 0.525 175.518 174.900 0.155 0.000 1.002 93 G CA 0.287 45.471 45.100 0.139 0.000 0.702 93 G HN 0.349 nan 8.290 nan 0.000 0.515 94 V N -1.618 118.391 119.914 0.157 0.000 3.085 94 V HA 0.442 4.561 4.120 -0.003 0.000 0.345 94 V C 0.955 177.034 176.094 -0.026 0.000 1.397 94 V CA -0.083 62.213 62.300 -0.006 0.000 1.165 94 V CB -0.735 31.056 31.823 -0.054 0.000 1.153 94 V HN 0.739 nan 8.190 nan 0.000 0.495 95 H N 0.184 119.250 119.070 -0.006 0.000 2.607 95 H HA 0.743 5.298 4.556 -0.003 0.000 0.367 95 H C 0.265 175.581 175.328 -0.021 0.000 1.181 95 H CA 0.011 56.071 56.048 0.020 0.000 1.402 95 H CB 1.507 31.347 29.762 0.130 0.000 1.474 95 H HN 0.361 nan 8.280 nan 0.000 0.596 96 G N 0.412 109.199 108.800 -0.022 0.000 2.820 96 G HA2 0.342 4.300 3.960 -0.003 0.000 0.291 96 G HA3 0.342 4.300 3.960 -0.003 0.000 0.291 96 G C -1.905 173.001 174.900 0.010 0.000 1.323 96 G CA -1.804 43.241 45.100 -0.092 0.000 1.055 96 G HN 0.363 nan 8.290 nan 0.000 0.520 97 P HA -0.094 nan 4.420 nan 0.000 0.215 97 P C 1.941 179.258 177.300 0.028 0.000 1.157 97 P CA 2.022 65.135 63.100 0.022 0.000 0.874 97 P CB 0.127 31.824 31.700 -0.004 0.000 0.790 98 G N -0.801 108.000 108.800 0.002 0.000 2.464 98 G HA2 -0.094 3.864 3.960 -0.003 0.000 0.217 98 G HA3 -0.094 3.864 3.960 -0.003 0.000 0.217 98 G C 0.520 175.429 174.900 0.015 0.000 1.138 98 G CA 0.403 45.504 45.100 0.001 0.000 0.793 98 G HN 0.440 nan 8.290 nan 0.000 0.539 99 S N 1.120 116.839 115.700 0.032 0.000 2.566 99 S HA 0.142 4.610 4.470 -0.003 0.000 0.280 99 S C -0.350 174.269 174.600 0.032 0.000 1.343 99 S CA -0.500 57.724 58.200 0.041 0.000 1.036 99 S CB 1.000 64.250 63.200 0.084 0.000 0.866 99 S HN 0.205 nan 8.310 nan 0.000 0.526 100 D N 0.913 121.319 120.400 0.009 0.000 2.354 100 D HA 0.362 5.000 4.640 -0.003 0.000 0.247 100 D C 0.080 176.346 176.300 -0.056 0.000 1.138 100 D CA -0.215 53.771 54.000 -0.023 0.000 0.958 100 D CB 0.529 41.315 40.800 -0.024 0.000 1.144 100 D HN 0.557 nan 8.370 nan 0.000 0.458 101 I N 1.195 121.694 120.570 -0.118 0.000 2.330 101 I HA 0.085 4.253 4.170 -0.003 0.000 0.289 101 I C -0.232 175.784 176.117 -0.169 0.000 1.001 101 I CA -0.762 60.425 61.300 -0.189 0.000 1.193 101 I CB 1.092 38.873 38.000 -0.365 0.000 1.345 101 I HN -0.063 nan 8.210 nan 0.000 0.461 102 D N 5.851 126.101 120.400 -0.251 0.000 2.338 102 D HA 0.188 4.827 4.640 -0.003 0.000 0.255 102 D C -0.055 176.083 176.300 -0.270 0.000 1.237 102 D CA 0.425 54.137 54.000 -0.480 0.000 0.883 102 D CB 1.235 41.329 40.800 -1.176 0.000 1.087 102 D HN 0.409 nan 8.370 nan 0.000 0.485 103 T N 2.230 116.790 114.554 0.010 0.000 2.863 103 T HA 0.486 4.835 4.350 -0.003 0.000 0.285 103 T C -0.404 174.467 174.700 0.285 0.000 1.009 103 T CA -0.677 61.519 62.100 0.160 0.000 0.989 103 T CB 1.625 70.527 68.868 0.057 0.000 1.004 103 T HN 0.157 nan 8.240 nan 0.000 0.455 104 L N 3.848 125.243 121.223 0.286 0.000 2.349 104 L HA 0.708 5.046 4.340 -0.003 0.000 0.278 104 L C -1.152 175.794 176.870 0.126 0.000 0.996 104 L CA -0.622 54.320 54.840 0.170 0.000 0.825 104 L CB 1.442 43.562 42.059 0.101 0.000 1.243 104 L HN 0.439 nan 8.230 nan 0.000 0.412 105 V N 5.774 125.669 119.914 -0.031 0.000 2.364 105 V HA 0.411 4.529 4.120 -0.003 0.000 0.272 105 V C 0.013 176.066 176.094 -0.069 0.000 1.036 105 V CA -0.638 61.620 62.300 -0.070 0.000 0.880 105 V CB 1.162 32.836 31.823 -0.247 0.000 0.991 105 V HN 0.542 nan 8.190 nan 0.000 0.460 106 V N 6.541 126.489 119.914 0.056 0.000 2.370 106 V HA 0.523 4.641 4.120 -0.003 0.000 0.279 106 V C 0.072 176.152 176.094 -0.023 0.000 1.029 106 V CA -0.339 61.977 62.300 0.025 0.000 0.870 106 V CB 1.667 33.579 31.823 0.147 0.000 0.984 106 V HN 0.784 nan 8.190 nan 0.000 0.451 107 V N 4.420 124.275 119.914 -0.098 0.000 2.864 107 V HA 0.804 4.922 4.120 -0.003 0.000 0.314 107 V C -2.600 173.389 176.094 -0.175 0.000 1.073 107 V CA -2.508 59.692 62.300 -0.167 0.000 0.956 107 V CB 2.185 33.857 31.823 -0.251 0.000 1.023 107 V HN 0.635 nan 8.190 nan 0.000 0.435 108 P HA 0.276 nan 4.420 nan 0.000 0.276 108 P C 0.223 177.365 177.300 -0.263 0.000 1.261 108 P CA -0.336 62.641 63.100 -0.205 0.000 0.800 108 P CB 1.115 32.716 31.700 -0.164 0.000 1.066 109 K N 0.982 121.316 120.400 -0.111 0.000 2.127 109 K HA -0.219 4.099 4.320 -0.003 0.000 0.208 109 K C 1.873 178.443 176.600 -0.050 0.000 1.047 109 K CA 1.971 58.229 56.287 -0.048 0.000 0.927 109 K CB -0.993 31.524 32.500 0.028 0.000 0.716 109 K HN 0.586 nan 8.250 nan 0.000 0.450 110 H N -1.429 117.613 119.070 -0.045 0.000 2.547 110 H HA 0.135 4.690 4.556 -0.003 0.000 0.266 110 H C -0.444 174.855 175.328 -0.048 0.000 0.988 110 H CA 0.055 56.078 56.048 -0.041 0.000 1.147 110 H CB -0.375 29.360 29.762 -0.045 0.000 1.365 110 H HN -0.084 nan 8.280 nan 0.000 0.589 111 V N 3.343 123.042 119.914 -0.359 0.000 2.347 111 V HA 0.181 4.299 4.120 -0.003 0.000 0.280 111 V C 0.724 176.769 176.094 -0.082 0.000 1.021 111 V CA -0.379 61.769 62.300 -0.254 0.000 0.847 111 V CB 1.366 32.912 31.823 -0.461 0.000 0.990 111 V HN 0.565 nan 8.190 nan 0.000 0.444 112 T N 2.015 116.591 114.554 0.037 0.000 2.897 112 T HA 0.359 4.707 4.350 -0.003 0.000 0.278 112 T C 1.058 175.867 174.700 0.182 0.000 0.981 112 T CA -0.517 61.636 62.100 0.088 0.000 0.973 112 T CB 1.381 70.308 68.868 0.098 0.000 1.092 112 T HN 0.483 nan 8.240 nan 0.000 0.543 113 R N -0.229 120.383 120.500 0.188 0.000 2.148 113 R HA -0.051 4.287 4.340 -0.003 0.000 0.227 113 R C 1.884 178.468 176.300 0.472 0.000 1.103 113 R CA 1.177 57.464 56.100 0.313 0.000 0.983 113 R CB -0.187 30.278 30.300 0.275 0.000 0.874 113 R HN 0.698 nan 8.270 nan 0.000 0.451 114 E N 0.468 120.863 120.200 0.325 0.000 2.106 114 E HA -0.139 4.209 4.350 -0.003 0.000 0.192 114 E C 1.429 178.218 176.600 0.315 0.000 0.984 114 E CA 1.179 57.761 56.400 0.304 0.000 0.806 114 E CB -0.113 29.695 29.700 0.180 0.000 0.750 114 E HN 0.295 nan 8.360 nan 0.000 0.458 115 D N -0.160 120.430 120.400 0.317 0.000 2.123 115 D HA -0.172 4.466 4.640 -0.003 0.000 0.196 115 D C 1.700 178.261 176.300 0.435 0.000 0.992 115 D CA 0.722 54.953 54.000 0.385 0.000 0.833 115 D CB -0.332 40.716 40.800 0.413 0.000 0.954 115 D HN 0.154 nan 8.370 nan 0.000 0.455 116 F N 0.648 120.750 119.950 0.253 0.000 2.126 116 F HA -0.163 4.363 4.527 -0.003 0.000 0.299 116 F C 1.686 177.324 175.800 -0.270 0.000 1.096 116 F CA 1.190 59.104 58.000 -0.143 0.000 1.255 116 F CB -0.462 38.414 39.000 -0.207 0.000 0.997 116 F HN -0.158 nan 8.300 nan 0.000 0.479 117 F N -0.498 119.426 119.950 -0.044 0.000 2.773 117 F HA 0.085 4.610 4.527 -0.003 0.000 0.304 117 F C 1.642 177.390 175.800 -0.086 0.000 1.129 117 F CA 0.634 58.551 58.000 -0.138 0.000 1.378 117 F CB -0.288 38.711 39.000 -0.001 0.000 1.095 117 F HN -0.082 nan 8.300 nan 0.000 0.565 118 T N -2.060 112.534 114.554 0.067 0.000 3.400 118 T HA 0.046 4.394 4.350 -0.003 0.000 0.228 118 T C 1.913 176.618 174.700 0.009 0.000 0.992 118 T CA 0.366 62.503 62.100 0.062 0.000 1.222 118 T CB -0.431 68.508 68.868 0.118 0.000 1.236 118 T HN -0.167 nan 8.240 nan 0.000 0.357 119 V N 1.613 121.570 119.914 0.072 0.000 2.358 119 V HA -0.028 4.090 4.120 -0.003 0.000 0.246 119 V C 2.070 178.118 176.094 -0.077 0.000 1.047 119 V CA 1.637 63.999 62.300 0.103 0.000 1.035 119 V CB -0.704 31.331 31.823 0.352 0.000 0.658 119 V HN 0.374 nan 8.190 nan 0.000 0.452 120 F N 1.220 120.812 119.950 -0.597 0.000 2.163 120 F HA -0.098 4.428 4.527 -0.003 0.000 0.297 120 F C 2.308 177.804 175.800 -0.507 0.000 1.094 120 F CA 1.752 59.258 58.000 -0.823 0.000 1.290 120 F CB -0.360 37.779 39.000 -1.435 0.000 1.017 120 F HN 0.195 nan 8.300 nan 0.000 0.483 121 D N -0.313 119.821 120.400 -0.444 0.000 2.103 121 D HA -0.202 4.436 4.640 -0.003 0.000 0.190 121 D C 2.190 178.331 176.300 -0.265 0.000 0.997 121 D CA 1.884 55.680 54.000 -0.339 0.000 0.833 121 D CB -0.189 40.498 40.800 -0.188 0.000 0.961 121 D HN 0.278 nan 8.370 nan 0.000 0.447 122 S N -0.110 115.484 115.700 -0.176 0.000 2.402 122 S HA -0.111 4.357 4.470 -0.003 0.000 0.233 122 S C 2.104 176.620 174.600 -0.140 0.000 1.030 122 S CA 0.489 58.620 58.200 -0.114 0.000 1.003 122 S CB -0.159 63.011 63.200 -0.049 0.000 0.813 122 S HN 0.334 nan 8.310 nan 0.000 0.477 123 L N 0.513 121.603 121.223 -0.221 0.000 2.156 123 L HA -0.001 4.337 4.340 -0.003 0.000 0.208 123 L C 2.004 178.717 176.870 -0.261 0.000 1.095 123 L CA 0.738 55.445 54.840 -0.221 0.000 0.770 123 L CB -0.380 41.528 42.059 -0.250 0.000 0.914 123 L HN 0.312 nan 8.230 nan 0.000 0.439 124 L N -0.738 120.259 121.223 -0.377 0.000 2.109 124 L HA -0.140 4.198 4.340 -0.003 0.000 0.207 124 L C 2.614 179.419 176.870 -0.109 0.000 1.086 124 L CA 1.098 55.787 54.840 -0.252 0.000 0.760 124 L CB -0.395 41.471 42.059 -0.323 0.000 0.910 124 L HN 0.163 nan 8.230 nan 0.000 0.437 125 R N 0.013 120.442 120.500 -0.120 0.000 2.189 125 R HA -0.106 4.232 4.340 -0.003 0.000 0.218 125 R C 1.919 178.180 176.300 -0.065 0.000 1.074 125 R CA 0.685 56.737 56.100 -0.079 0.000 0.991 125 R CB -0.133 30.125 30.300 -0.070 0.000 0.883 125 R HN 0.427 nan 8.270 nan 0.000 0.457 126 E N 0.322 120.483 120.200 -0.064 0.000 2.338 126 E HA -0.066 4.282 4.350 -0.003 0.000 0.197 126 E C 0.168 176.742 176.600 -0.042 0.000 1.007 126 E CA 0.512 56.885 56.400 -0.046 0.000 0.849 126 E CB 0.244 29.922 29.700 -0.037 0.000 0.774 126 E HN 0.108 nan 8.360 nan 0.000 0.506 127 R N 1.136 121.610 120.500 -0.044 0.000 2.459 127 R HA 0.086 4.424 4.340 -0.003 0.000 0.281 127 R C 1.203 177.424 176.300 -0.132 0.000 1.050 127 R CA 0.040 56.106 56.100 -0.057 0.000 1.055 127 R CB 0.593 30.903 30.300 0.017 0.000 1.045 127 R HN 0.153 nan 8.270 nan 0.000 0.495 128 K N 0.722 121.032 120.400 -0.150 0.000 2.305 128 K HA -0.022 4.296 4.320 -0.003 0.000 0.199 128 K C 0.564 177.003 176.600 -0.268 0.000 1.047 128 K CA 0.865 57.054 56.287 -0.164 0.000 0.976 128 K CB 0.190 32.623 32.500 -0.113 0.000 0.765 128 K HN 0.357 nan 8.250 nan 0.000 0.474 129 E N 1.422 121.357 120.200 -0.442 0.000 2.338 129 E HA -0.021 4.328 4.350 -0.003 0.000 0.197 129 E C 0.528 176.622 176.600 -0.843 0.000 1.007 129 E CA 0.177 56.147 56.400 -0.716 0.000 0.849 129 E CB 0.022 29.051 29.700 -1.119 0.000 0.774 129 E HN 0.151 nan 8.360 nan 0.000 0.506 130 L N 1.665 122.498 121.223 -0.650 0.000 2.462 130 L HA -0.040 4.299 4.340 -0.003 0.000 0.272 130 L C -0.076 176.676 176.870 -0.196 0.000 1.166 130 L CA 1.051 55.694 54.840 -0.330 0.000 0.880 130 L CB 0.574 42.547 42.059 -0.144 0.000 1.142 130 L HN 0.057 nan 8.230 nan 0.000 0.473 131 D N 3.339 123.664 120.400 -0.123 0.000 2.514 131 D HA 0.168 4.806 4.640 -0.003 0.000 0.249 131 D C -0.072 176.206 176.300 -0.037 0.000 1.036 131 D CA 0.498 54.451 54.000 -0.077 0.000 0.911 131 D CB 1.097 41.859 40.800 -0.063 0.000 1.145 131 D HN 0.593 nan 8.370 nan 0.000 0.495 132 E N -0.150 120.041 120.200 -0.014 0.000 2.392 132 E HA 0.579 4.927 4.350 -0.003 0.000 0.279 132 E C -1.406 175.204 176.600 0.017 0.000 0.964 132 E CA -0.512 55.889 56.400 0.003 0.000 0.777 132 E CB 3.172 32.880 29.700 0.012 0.000 1.249 132 E HN -0.116 nan 8.360 nan 0.000 0.449 133 I N 1.188 121.767 120.570 0.015 0.000 2.656 133 I HA 0.712 4.880 4.170 -0.003 0.000 0.292 133 I C -1.852 174.283 176.117 0.030 0.000 1.144 133 I CA -0.521 60.791 61.300 0.021 0.000 1.038 133 I CB 1.622 39.622 38.000 -0.000 0.000 1.244 133 I HN 0.633 nan 8.210 nan 0.000 0.420 134 A N 8.258 131.106 122.820 0.048 0.000 2.876 134 A HA 0.585 4.903 4.320 -0.003 0.000 0.309 134 A C -2.848 174.793 177.584 0.095 0.000 1.168 134 A CA -1.107 50.966 52.037 0.060 0.000 0.762 134 A CB 0.372 19.406 19.000 0.056 0.000 1.262 134 A HN 0.359 nan 8.150 nan 0.000 0.435 135 P HA 0.221 nan 4.420 nan 0.000 0.270 135 P C -0.353 177.050 177.300 0.172 0.000 1.242 135 P CA 0.286 63.511 63.100 0.209 0.000 0.768 135 P CB 1.143 32.974 31.700 0.219 0.000 0.820 136 V N 6.676 126.727 119.914 0.227 0.000 2.250 136 V HA 0.220 4.338 4.120 -0.003 0.000 0.268 136 V C -1.682 174.479 176.094 0.112 0.000 1.043 136 V CA -1.878 60.500 62.300 0.129 0.000 0.814 136 V CB 0.940 32.839 31.823 0.126 0.000 1.072 136 V HN 0.495 nan 8.190 nan 0.000 0.451 137 P HA 0.164 nan 4.420 nan 0.000 0.275 137 P C 0.432 177.681 177.300 -0.085 0.000 1.270 137 P CA 0.476 63.381 63.100 -0.324 0.000 0.791 137 P CB 0.496 31.792 31.700 -0.674 0.000 1.089 138 D N -4.498 115.868 120.400 -0.056 0.000 3.006 138 D HA -0.221 4.417 4.640 -0.003 0.000 0.208 138 D C -0.064 176.264 176.300 0.047 0.000 1.116 138 D CA 1.367 55.362 54.000 -0.007 0.000 0.998 138 D CB -2.060 38.727 40.800 -0.022 0.000 1.124 138 D HN 0.556 nan 8.370 nan 0.000 0.413 139 A N -1.036 121.833 122.820 0.081 0.000 2.327 139 A HA 0.465 4.784 4.320 -0.003 0.000 0.255 139 A C 1.172 178.850 177.584 0.155 0.000 1.099 139 A CA 0.202 52.316 52.037 0.129 0.000 0.801 139 A CB -0.145 18.946 19.000 0.151 0.000 1.062 139 A HN 0.322 nan 8.150 nan 0.000 0.496 140 F N 1.041 121.012 119.950 0.036 0.000 2.063 140 F HA -0.160 4.365 4.527 -0.003 0.000 0.298 140 F C 0.787 176.608 175.800 0.035 0.000 1.105 140 F CA 2.410 60.428 58.000 0.029 0.000 1.215 140 F CB -0.087 38.926 39.000 0.022 0.000 0.972 140 F HN 0.184 nan 8.300 nan 0.000 0.483 141 V N 1.258 121.273 119.914 0.169 0.000 2.409 141 V HA 0.309 4.427 4.120 -0.003 0.000 0.291 141 V C -2.385 173.794 176.094 0.141 0.000 1.020 141 V CA -2.108 60.237 62.300 0.075 0.000 0.848 141 V CB 0.992 32.879 31.823 0.106 0.000 0.990 141 V HN -0.079 nan 8.190 nan 0.000 0.430 142 P HA 0.268 nan 4.420 nan 0.000 0.261 142 P C -0.536 177.007 177.300 0.406 0.000 1.203 142 P CA 0.517 63.798 63.100 0.302 0.000 0.767 142 P CB 0.482 32.392 31.700 0.349 0.000 0.785 143 I N 3.722 124.562 120.570 0.450 0.000 2.785 143 I HA 0.485 4.653 4.170 -0.003 0.000 0.302 143 I C -1.052 175.312 176.117 0.412 0.000 1.069 143 I CA -1.289 60.232 61.300 0.367 0.000 1.045 143 I CB 1.775 39.920 38.000 0.242 0.000 1.236 143 I HN 0.114 nan 8.210 nan 0.000 0.429 144 I N 6.096 126.843 120.570 0.296 0.000 2.411 144 I HA 0.335 4.503 4.170 -0.003 0.000 0.284 144 I C -0.700 175.505 176.117 0.146 0.000 1.012 144 I CA -0.675 60.736 61.300 0.184 0.000 1.119 144 I CB 1.398 39.400 38.000 0.004 0.000 1.261 144 I HN 0.418 nan 8.210 nan 0.000 0.448 145 K N 7.460 127.934 120.400 0.124 0.000 2.258 145 K HA 0.621 4.939 4.320 -0.003 0.000 0.284 145 K C -0.550 176.094 176.600 0.074 0.000 1.051 145 K CA -0.265 56.077 56.287 0.092 0.000 0.923 145 K CB 1.396 33.944 32.500 0.081 0.000 1.046 145 K HN 0.560 nan 8.250 nan 0.000 0.474 146 I N -1.399 119.214 120.570 0.071 0.000 2.934 146 I HA 0.511 4.679 4.170 -0.003 0.000 0.306 146 I C -1.231 174.934 176.117 0.080 0.000 1.110 146 I CA -1.119 60.227 61.300 0.076 0.000 1.019 146 I CB 2.161 40.221 38.000 0.100 0.000 1.227 146 I HN 0.312 nan 8.210 nan 0.000 0.434 147 K N 3.455 123.903 120.400 0.080 0.000 2.307 147 K HA 0.522 4.840 4.320 -0.003 0.000 0.263 147 K C -2.135 174.533 176.600 0.114 0.000 0.973 147 K CA -0.506 55.828 56.287 0.078 0.000 0.846 147 K CB 1.452 33.973 32.500 0.034 0.000 1.100 147 K HN 0.653 nan 8.250 nan 0.000 0.438 148 F N 3.000 122.932 119.950 -0.029 0.000 2.539 148 F HA 0.179 4.704 4.527 -0.003 0.000 0.328 148 F C -0.155 175.626 175.800 -0.032 0.000 1.148 148 F CA -0.347 57.632 58.000 -0.035 0.000 0.940 148 F CB 1.637 40.614 39.000 -0.038 0.000 1.194 148 F HN 0.677 nan 8.300 nan 0.000 0.438 149 S N 4.095 119.681 115.700 -0.190 0.000 3.491 149 S HA -0.166 4.302 4.470 -0.003 0.000 0.371 149 S C 1.158 175.758 174.600 -0.001 0.000 0.980 149 S CA 1.271 59.420 58.200 -0.085 0.000 1.204 149 S CB -1.559 61.641 63.200 -0.001 0.000 0.915 149 S HN 1.834 nan 8.310 nan 0.000 0.482 150 G N -0.474 108.321 108.800 -0.008 0.000 2.284 150 G HA2 -0.313 3.646 3.960 -0.003 0.000 0.247 150 G HA3 -0.313 3.646 3.960 -0.003 0.000 0.247 150 G C 0.145 175.062 174.900 0.029 0.000 1.012 150 G CA 0.193 45.298 45.100 0.008 0.000 0.618 150 G HN 0.751 nan 8.290 nan 0.000 0.521 151 I N 1.987 122.590 120.570 0.055 0.000 2.428 151 I HA 0.422 4.591 4.170 -0.003 0.000 0.289 151 I C 0.477 176.622 176.117 0.047 0.000 1.019 151 I CA -0.334 60.992 61.300 0.044 0.000 1.351 151 I CB 1.601 39.621 38.000 0.033 0.000 1.412 151 I HN 0.054 nan 8.210 nan 0.000 0.513 152 S N 6.608 122.319 115.700 0.019 0.000 2.489 152 S HA 0.591 5.059 4.470 -0.003 0.000 0.277 152 S C -0.276 174.320 174.600 -0.006 0.000 1.230 152 S CA -0.337 57.873 58.200 0.017 0.000 1.053 152 S CB 0.392 63.599 63.200 0.012 0.000 0.955 152 S HN 0.316 nan 8.310 nan 0.000 0.488 153 I N 2.809 123.384 120.570 0.009 0.000 2.499 153 I HA 0.306 4.474 4.170 -0.003 0.000 0.288 153 I C -1.120 175.011 176.117 0.022 0.000 1.048 153 I CA -0.716 60.577 61.300 -0.012 0.000 1.062 153 I CB 2.139 40.123 38.000 -0.028 0.000 1.238 153 I HN 0.371 nan 8.210 nan 0.000 0.426 154 D N 7.579 127.986 120.400 0.012 0.000 2.329 154 D HA 0.481 5.119 4.640 -0.003 0.000 0.232 154 D C -0.601 175.757 176.300 0.097 0.000 1.088 154 D CA -0.044 53.989 54.000 0.055 0.000 0.835 154 D CB 1.818 42.634 40.800 0.026 0.000 1.078 154 D HN 0.256 nan 8.370 nan 0.000 0.495 155 L N 3.830 125.144 121.223 0.152 0.000 2.298 155 L HA 0.504 4.842 4.340 -0.003 0.000 0.284 155 L C 0.348 177.349 176.870 0.218 0.000 1.013 155 L CA -0.708 54.251 54.840 0.199 0.000 0.824 155 L CB 0.952 43.175 42.059 0.273 0.000 1.221 155 L HN 0.278 nan 8.230 nan 0.000 0.418 156 I N -0.457 120.178 120.570 0.108 0.000 3.133 156 I HA 0.721 4.889 4.170 -0.003 0.000 0.311 156 I C -0.863 175.037 176.117 -0.362 0.000 1.072 156 I CA -0.699 60.568 61.300 -0.054 0.000 1.015 156 I CB 2.226 40.239 38.000 0.022 0.000 1.233 156 I HN 0.554 nan 8.210 nan 0.000 0.473 157 C N 2.962 121.930 119.300 -0.554 0.000 2.498 157 C HA 0.891 5.349 4.460 -0.003 0.000 0.316 157 C C -0.055 174.715 174.990 -0.365 0.000 1.209 157 C CA -0.003 58.597 59.018 -0.696 0.000 1.518 157 C CB 0.686 27.606 27.740 -1.367 0.000 2.147 157 C HN 0.981 nan 8.230 nan 0.000 0.483 158 A N 5.380 128.037 122.820 -0.273 0.000 2.330 158 A HA 0.796 5.114 4.320 -0.003 0.000 0.313 158 A C -0.533 176.955 177.584 -0.160 0.000 1.124 158 A CA -0.512 51.410 52.037 -0.192 0.000 0.774 158 A CB 0.691 19.584 19.000 -0.178 0.000 1.198 158 A HN 0.907 nan 8.150 nan 0.000 0.465 159 R N 4.096 124.517 120.500 -0.131 0.000 2.239 159 R HA 0.523 4.862 4.340 -0.003 0.000 0.332 159 R C -1.278 174.968 176.300 -0.089 0.000 0.988 159 R CA -0.396 55.638 56.100 -0.110 0.000 0.859 159 R CB 0.247 30.495 30.300 -0.087 0.000 1.148 159 R HN 0.761 nan 8.270 nan 0.000 0.482 160 L N 2.706 123.877 121.223 -0.086 0.000 2.418 160 L HA 0.168 4.506 4.340 -0.003 0.000 0.265 160 L C 0.582 177.424 176.870 -0.047 0.000 1.143 160 L CA -0.386 54.416 54.840 -0.064 0.000 0.809 160 L CB 0.970 42.996 42.059 -0.056 0.000 1.124 160 L HN 0.584 nan 8.230 nan 0.000 0.456 161 D N 2.136 122.515 120.400 -0.034 0.000 2.885 161 D HA 0.108 4.746 4.640 -0.003 0.000 0.234 161 D C -0.540 175.754 176.300 -0.010 0.000 1.129 161 D CA 0.363 54.352 54.000 -0.019 0.000 0.991 161 D CB 0.049 40.839 40.800 -0.017 0.000 1.137 161 D HN 0.403 nan 8.370 nan 0.000 0.459 162 Q N 0.129 119.924 119.800 -0.007 0.000 2.391 162 Q HA 0.258 4.596 4.340 -0.003 0.000 0.279 162 Q C -1.983 174.034 176.000 0.028 0.000 1.028 162 Q CA -1.614 54.192 55.803 0.005 0.000 0.836 162 Q CB 2.536 31.274 28.738 -0.001 0.000 1.414 162 Q HN -0.010 nan 8.270 nan 0.000 0.397 163 P HA -0.118 nan 4.420 nan 0.000 0.225 163 P C -0.560 176.803 177.300 0.105 0.000 1.156 163 P CA 1.029 64.184 63.100 0.091 0.000 0.787 163 P CB 0.731 32.459 31.700 0.046 0.000 0.802 164 Q N -0.802 119.030 119.800 0.053 0.000 2.359 164 Q HA 0.505 4.843 4.340 -0.003 0.000 0.274 164 Q C -1.417 174.598 176.000 0.025 0.000 1.074 164 Q CA -0.855 54.976 55.803 0.046 0.000 0.810 164 Q CB 3.295 32.056 28.738 0.040 0.000 1.342 164 Q HN -0.303 nan 8.270 nan 0.000 0.427 165 V N 3.272 123.198 119.914 0.021 0.000 2.289 165 V HA 0.295 4.413 4.120 -0.003 0.000 0.272 165 V C -2.134 173.979 176.094 0.032 0.000 1.026 165 V CA -1.480 60.837 62.300 0.028 0.000 0.807 165 V CB 0.715 32.551 31.823 0.021 0.000 1.044 165 V HN 0.604 nan 8.190 nan 0.000 0.443 166 P HA 0.173 nan 4.420 nan 0.000 0.273 166 P C 1.087 178.398 177.300 0.017 0.000 1.250 166 P CA -0.304 62.812 63.100 0.026 0.000 0.793 166 P CB 1.769 33.484 31.700 0.026 0.000 1.011 167 L N 0.868 122.093 121.223 0.003 0.000 2.275 167 L HA -0.129 4.209 4.340 -0.003 0.000 0.215 167 L C 1.935 178.791 176.870 -0.023 0.000 1.119 167 L CA 1.645 56.471 54.840 -0.023 0.000 0.790 167 L CB -0.382 41.663 42.059 -0.022 0.000 0.919 167 L HN 0.450 nan 8.230 nan 0.000 0.443 168 S N -0.945 114.758 115.700 0.005 0.000 2.634 168 S HA 0.067 4.535 4.470 -0.003 0.000 0.221 168 S C 0.416 175.045 174.600 0.049 0.000 0.952 168 S CA -0.546 57.663 58.200 0.016 0.000 0.930 168 S CB -0.312 62.898 63.200 0.017 0.000 0.780 168 S HN 0.182 nan 8.310 nan 0.000 0.498 169 L N 4.187 125.457 121.223 0.079 0.000 2.462 169 L HA 0.338 4.676 4.340 -0.003 0.000 0.272 169 L C 0.308 177.327 176.870 0.249 0.000 1.166 169 L CA 0.604 55.532 54.840 0.146 0.000 0.880 169 L CB 0.421 42.591 42.059 0.184 0.000 1.142 169 L HN 0.416 nan 8.230 nan 0.000 0.473 170 T N 2.403 117.060 114.554 0.172 0.000 2.943 170 T HA 0.448 4.796 4.350 -0.003 0.000 0.284 170 T C 0.721 175.453 174.700 0.054 0.000 1.015 170 T CA -0.847 61.362 62.100 0.182 0.000 1.042 170 T CB 1.044 69.974 68.868 0.104 0.000 1.055 170 T HN 0.543 nan 8.240 nan 0.000 0.500 171 L N 1.556 122.738 121.223 -0.069 0.000 2.728 171 L HA 0.214 4.553 4.340 -0.003 0.000 0.235 171 L C 2.377 179.185 176.870 -0.104 0.000 1.197 171 L CA -0.214 54.514 54.840 -0.187 0.000 0.992 171 L CB -0.233 41.570 42.059 -0.426 0.000 1.263 171 L HN 0.848 nan 8.230 nan 0.000 0.484 172 S N -0.007 115.665 115.700 -0.047 0.000 2.345 172 S HA -0.141 4.327 4.470 -0.003 0.000 0.220 172 S C 0.872 175.456 174.600 -0.026 0.000 1.031 172 S CA 0.691 58.873 58.200 -0.030 0.000 0.996 172 S CB -0.018 63.175 63.200 -0.012 0.000 0.882 172 S HN 0.503 nan 8.310 nan 0.000 0.445 173 D N 1.277 121.661 120.400 -0.026 0.000 2.493 173 D HA -0.017 4.621 4.640 -0.003 0.000 0.240 173 D C 1.205 177.488 176.300 -0.028 0.000 1.142 173 D CA 0.279 54.262 54.000 -0.028 0.000 0.872 173 D CB 0.813 41.598 40.800 -0.025 0.000 1.173 173 D HN 0.504 nan 8.370 nan 0.000 0.467 174 K N 2.945 123.324 120.400 -0.035 0.000 2.288 174 K HA -0.133 4.185 4.320 -0.003 0.000 0.201 174 K C 1.018 177.605 176.600 -0.022 0.000 1.048 174 K CA 0.536 56.811 56.287 -0.020 0.000 0.956 174 K CB -0.014 32.426 32.500 -0.099 0.000 0.746 174 K HN 0.192 nan 8.250 nan 0.000 0.461 175 N N 1.728 120.404 118.700 -0.040 0.000 2.192 175 N HA -0.139 4.599 4.740 -0.003 0.000 0.188 175 N C 1.701 177.198 175.510 -0.021 0.000 1.013 175 N CA 1.084 54.115 53.050 -0.030 0.000 0.863 175 N CB -0.314 38.154 38.487 -0.031 0.000 0.990 175 N HN 0.275 nan 8.380 nan 0.000 0.430 176 L N 0.406 121.614 121.223 -0.025 0.000 2.263 176 L HA -0.139 4.199 4.340 -0.003 0.000 0.216 176 L C 1.756 178.607 176.870 -0.032 0.000 1.111 176 L CA 0.715 55.534 54.840 -0.035 0.000 0.773 176 L CB -0.425 41.602 42.059 -0.054 0.000 0.906 176 L HN 0.178 nan 8.230 nan 0.000 0.439 177 L N -0.107 121.109 121.223 -0.011 0.000 2.478 177 L HA -0.032 4.306 4.340 -0.003 0.000 0.223 177 L C 1.351 178.221 176.870 0.000 0.000 1.140 177 L CA -0.105 54.735 54.840 -0.000 0.000 0.842 177 L CB -0.526 41.564 42.059 0.051 0.000 0.953 177 L HN 0.349 nan 8.230 nan 0.000 0.452 178 R N 0.667 121.165 120.500 -0.003 0.000 2.570 178 R HA 0.009 4.348 4.340 -0.003 0.000 0.277 178 R C 0.183 176.477 176.300 -0.010 0.000 1.039 178 R CA -0.112 55.987 56.100 -0.002 0.000 1.065 178 R CB -0.107 30.190 30.300 -0.006 0.000 0.964 178 R HN 0.109 nan 8.270 nan 0.000 0.428 179 N N 1.034 119.730 118.700 -0.007 0.000 2.693 179 N HA -0.194 4.544 4.740 -0.003 0.000 0.249 179 N C -0.864 174.633 175.510 -0.020 0.000 1.119 179 N CA 1.092 54.135 53.050 -0.012 0.000 0.717 179 N CB -0.997 37.484 38.487 -0.011 0.000 1.071 179 N HN 0.600 nan 8.380 nan 0.000 0.555 180 L N 1.261 122.469 121.223 -0.025 0.000 2.290 180 L HA 0.180 4.518 4.340 -0.003 0.000 0.284 180 L C 1.168 178.013 176.870 -0.041 0.000 1.078 180 L CA -0.705 54.112 54.840 -0.039 0.000 0.815 180 L CB 0.775 42.804 42.059 -0.049 0.000 1.162 180 L HN 0.114 nan 8.230 nan 0.000 0.435 181 D N 2.048 122.422 120.400 -0.044 0.000 2.384 181 D HA -0.105 4.533 4.640 -0.003 0.000 0.244 181 D C 0.803 177.063 176.300 -0.067 0.000 1.251 181 D CA -0.275 53.697 54.000 -0.047 0.000 0.961 181 D CB 0.967 41.743 40.800 -0.039 0.000 1.116 181 D HN 0.518 nan 8.370 nan 0.000 0.484 182 E N -0.036 120.118 120.200 -0.077 0.000 2.058 182 E HA -0.215 4.133 4.350 -0.003 0.000 0.194 182 E C 1.722 178.237 176.600 -0.142 0.000 0.997 182 E CA 1.692 58.028 56.400 -0.108 0.000 0.801 182 E CB 0.025 29.655 29.700 -0.117 0.000 0.746 182 E HN 0.342 nan 8.360 nan 0.000 0.450 183 K N 0.718 121.036 120.400 -0.135 0.000 2.097 183 K HA -0.120 4.198 4.320 -0.003 0.000 0.206 183 K C 1.789 178.311 176.600 -0.129 0.000 1.049 183 K CA 1.349 57.547 56.287 -0.148 0.000 0.933 183 K CB -0.439 32.001 32.500 -0.101 0.000 0.717 183 K HN 0.288 nan 8.250 nan 0.000 0.442 184 D N 1.124 121.459 120.400 -0.108 0.000 2.117 184 D HA -0.096 4.543 4.640 -0.003 0.000 0.198 184 D C 2.153 178.381 176.300 -0.121 0.000 0.982 184 D CA 0.682 54.614 54.000 -0.114 0.000 0.828 184 D CB -0.153 40.590 40.800 -0.095 0.000 0.967 184 D HN 0.096 nan 8.370 nan 0.000 0.464 185 L N 0.414 121.572 121.223 -0.108 0.000 2.043 185 L HA -0.210 4.128 4.340 -0.003 0.000 0.212 185 L C 2.620 179.419 176.870 -0.118 0.000 1.075 185 L CA 1.175 55.953 54.840 -0.104 0.000 0.752 185 L CB -0.196 41.810 42.059 -0.089 0.000 0.891 185 L HN -0.074 nan 8.230 nan 0.000 0.432 186 R N -0.259 120.161 120.500 -0.132 0.000 2.081 186 R HA -0.118 4.220 4.340 -0.003 0.000 0.235 186 R C 2.382 178.601 176.300 -0.134 0.000 1.131 186 R CA 1.510 57.537 56.100 -0.122 0.000 0.960 186 R CB -0.659 29.539 30.300 -0.171 0.000 0.856 186 R HN 0.373 nan 8.270 nan 0.000 0.436 187 A N 0.323 123.051 122.820 -0.153 0.000 1.930 187 A HA -0.081 4.237 4.320 -0.003 0.000 0.217 187 A C 2.065 179.491 177.584 -0.264 0.000 1.175 187 A CA 1.051 52.975 52.037 -0.188 0.000 0.627 187 A CB -0.466 18.431 19.000 -0.172 0.000 0.815 187 A HN 0.221 nan 8.150 nan 0.000 0.443 188 L N -0.307 120.780 121.223 -0.228 0.000 2.217 188 L HA -0.140 4.199 4.340 -0.003 0.000 0.211 188 L C 2.476 179.193 176.870 -0.255 0.000 1.107 188 L CA 1.076 55.763 54.840 -0.255 0.000 0.783 188 L CB -0.553 41.388 42.059 -0.198 0.000 0.919 188 L HN 0.612 nan 8.230 nan 0.000 0.442 189 N N 0.331 118.907 118.700 -0.207 0.000 2.084 189 N HA -0.161 4.578 4.740 -0.003 0.000 0.190 189 N C 1.844 177.245 175.510 -0.182 0.000 1.030 189 N CA 1.303 54.259 53.050 -0.158 0.000 0.849 189 N CB 0.028 38.454 38.487 -0.101 0.000 1.012 189 N HN 0.310 nan 8.380 nan 0.000 0.423 190 G N 0.146 108.769 108.800 -0.294 0.000 2.529 190 G HA2 -0.291 3.668 3.960 -0.003 0.000 0.219 190 G HA3 -0.291 3.668 3.960 -0.003 0.000 0.219 190 G C 1.494 176.259 174.900 -0.227 0.000 1.177 190 G CA 1.629 46.532 45.100 -0.328 0.000 0.773 190 G HN 0.327 nan 8.290 nan 0.000 0.573 191 T N 0.295 114.623 114.554 -0.377 0.000 2.777 191 T HA -0.044 4.304 4.350 -0.003 0.000 0.266 191 T C 2.534 177.170 174.700 -0.107 0.000 1.040 191 T CA 1.185 63.189 62.100 -0.160 0.000 1.141 191 T CB -0.126 68.587 68.868 -0.258 0.000 0.868 191 T HN 0.252 nan 8.240 nan 0.000 0.444 192 R N 0.305 120.714 120.500 -0.152 0.000 2.096 192 R HA -0.035 4.303 4.340 -0.003 0.000 0.235 192 R C 2.457 178.730 176.300 -0.046 0.000 1.127 192 R CA 0.910 56.950 56.100 -0.100 0.000 0.968 192 R CB -0.596 29.643 30.300 -0.101 0.000 0.861 192 R HN 0.230 nan 8.270 nan 0.000 0.440 193 V N 0.290 120.182 119.914 -0.037 0.000 2.270 193 V HA -0.242 3.876 4.120 -0.003 0.000 0.245 193 V C 2.127 178.234 176.094 0.021 0.000 1.043 193 V CA 2.253 64.549 62.300 -0.006 0.000 1.014 193 V CB -0.583 31.240 31.823 0.000 0.000 0.645 193 V HN 0.396 nan 8.190 nan 0.000 0.447 194 T N -0.198 114.390 114.554 0.057 0.000 2.665 194 T HA -0.238 4.110 4.350 -0.003 0.000 0.268 194 T C 1.652 176.381 174.700 0.048 0.000 1.035 194 T CA 1.880 64.034 62.100 0.089 0.000 1.151 194 T CB -0.455 68.510 68.868 0.162 0.000 0.862 194 T HN 0.461 nan 8.240 nan 0.000 0.438 195 D N 0.879 121.301 120.400 0.036 0.000 2.123 195 D HA -0.076 4.562 4.640 -0.003 0.000 0.196 195 D C 2.317 178.609 176.300 -0.013 0.000 0.992 195 D CA 0.938 54.949 54.000 0.019 0.000 0.833 195 D CB -0.241 40.570 40.800 0.018 0.000 0.954 195 D HN 0.499 nan 8.370 nan 0.000 0.455 196 E N 0.068 120.257 120.200 -0.018 0.000 2.106 196 E HA -0.096 4.252 4.350 -0.003 0.000 0.192 196 E C 2.437 179.001 176.600 -0.059 0.000 0.984 196 E CA 0.284 56.665 56.400 -0.032 0.000 0.806 196 E CB -0.022 29.666 29.700 -0.019 0.000 0.750 196 E HN 0.332 nan 8.360 nan 0.000 0.458 197 I N 1.302 121.838 120.570 -0.057 0.000 2.127 197 I HA -0.328 3.841 4.170 -0.003 0.000 0.241 197 I C 2.495 178.474 176.117 -0.230 0.000 1.075 197 I CA 1.180 62.410 61.300 -0.117 0.000 1.334 197 I CB -0.288 37.679 38.000 -0.054 0.000 1.040 197 I HN 0.092 nan 8.210 nan 0.000 0.405 198 L N 0.117 121.233 121.223 -0.179 0.000 2.129 198 L HA -0.248 4.090 4.340 -0.003 0.000 0.212 198 L C 2.113 178.883 176.870 -0.168 0.000 1.087 198 L CA 1.485 56.207 54.840 -0.197 0.000 0.757 198 L CB -0.539 41.471 42.059 -0.081 0.000 0.896 198 L HN 0.313 nan 8.230 nan 0.000 0.434 199 E N -0.521 119.607 120.200 -0.120 0.000 2.502 199 E HA -0.022 4.326 4.350 -0.003 0.000 0.194 199 E C 1.444 177.969 176.600 -0.126 0.000 1.062 199 E CA 0.183 56.522 56.400 -0.103 0.000 0.867 199 E CB 0.278 29.937 29.700 -0.068 0.000 0.888 199 E HN 0.478 nan 8.360 nan 0.000 0.510 200 L N 0.384 121.515 121.223 -0.154 0.000 2.959 200 L HA 0.225 4.564 4.340 -0.003 0.000 0.259 200 L C -0.404 176.371 176.870 -0.158 0.000 1.185 200 L CA -0.165 54.590 54.840 -0.141 0.000 0.998 200 L CB 1.306 43.303 42.059 -0.104 0.000 1.337 200 L HN -0.120 nan 8.230 nan 0.000 0.555 201 V N 0.532 120.329 119.914 -0.194 0.000 2.540 201 V HA 0.305 4.424 4.120 -0.003 0.000 0.302 201 V C -1.603 174.419 176.094 -0.120 0.000 1.035 201 V CA -0.964 61.234 62.300 -0.171 0.000 0.873 201 V CB 2.262 33.880 31.823 -0.342 0.000 0.992 201 V HN -0.060 nan 8.190 nan 0.000 0.428 202 P HA 0.060 nan 4.420 nan 0.000 0.219 202 P C 0.018 177.328 177.300 0.016 0.000 1.154 202 P CA 0.781 63.855 63.100 -0.042 0.000 0.826 202 P CB 0.381 32.122 31.700 0.068 0.000 0.795 203 K N -0.878 119.556 120.400 0.057 0.000 2.646 203 K HA 0.253 4.571 4.320 -0.003 0.000 0.210 203 K C -2.274 174.390 176.600 0.107 0.000 1.020 203 K CA -1.802 54.531 56.287 0.076 0.000 1.040 203 K CB 1.788 34.345 32.500 0.096 0.000 1.253 203 K HN -0.176 nan 8.250 nan 0.000 0.532 204 P HA -0.265 nan 4.420 nan 0.000 0.216 204 P C 0.538 177.968 177.300 0.217 0.000 1.150 204 P CA 1.584 64.766 63.100 0.137 0.000 0.843 204 P CB 0.069 31.807 31.700 0.063 0.000 0.787 205 N N -0.901 117.878 118.700 0.131 0.000 2.061 205 N HA -0.149 4.589 4.740 -0.003 0.000 0.193 205 N C 1.372 176.943 175.510 0.101 0.000 1.030 205 N CA 1.337 54.449 53.050 0.103 0.000 0.856 205 N CB -1.449 37.075 38.487 0.061 0.000 1.023 205 N HN -0.053 nan 8.380 nan 0.000 0.424 206 V N 0.075 120.057 119.914 0.113 0.000 2.427 206 V HA -0.174 3.944 4.120 -0.003 0.000 0.248 206 V C 1.998 178.154 176.094 0.104 0.000 1.051 206 V CA 1.525 63.882 62.300 0.094 0.000 1.048 206 V CB -0.982 30.907 31.823 0.110 0.000 0.666 206 V HN 0.341 nan 8.190 nan 0.000 0.456 207 F N 1.502 121.466 119.950 0.024 0.000 2.095 207 F HA -0.194 4.331 4.527 -0.003 0.000 0.298 207 F C 2.554 178.359 175.800 0.008 0.000 1.104 207 F CA 1.828 59.841 58.000 0.022 0.000 1.232 207 F CB -0.324 38.696 39.000 0.033 0.000 0.987 207 F HN -0.058 nan 8.300 nan 0.000 0.475 208 R N 0.196 120.661 120.500 -0.059 0.000 2.070 208 R HA -0.173 4.165 4.340 -0.003 0.000 0.233 208 R C 2.209 178.394 176.300 -0.192 0.000 1.137 208 R CA 1.832 57.836 56.100 -0.160 0.000 0.945 208 R CB -0.626 29.707 30.300 0.055 0.000 0.845 208 R HN 0.300 nan 8.270 nan 0.000 0.430 209 I N 0.981 121.499 120.570 -0.087 0.000 2.127 209 I HA -0.263 3.905 4.170 -0.003 0.000 0.241 209 I C 2.613 178.613 176.117 -0.195 0.000 1.075 209 I CA 1.567 62.810 61.300 -0.094 0.000 1.334 209 I CB -1.630 36.351 38.000 -0.033 0.000 1.040 209 I HN 0.185 nan 8.210 nan 0.000 0.405 210 A N 0.826 123.524 122.820 -0.203 0.000 1.903 210 A HA -0.241 4.077 4.320 -0.003 0.000 0.219 210 A C 2.494 179.865 177.584 -0.355 0.000 1.191 210 A CA 1.881 53.760 52.037 -0.264 0.000 0.638 210 A CB -1.039 17.837 19.000 -0.207 0.000 0.823 210 A HN 0.448 nan 8.150 nan 0.000 0.451 211 L N -1.286 119.667 121.223 -0.451 0.000 2.005 211 L HA -0.196 4.142 4.340 -0.003 0.000 0.207 211 L C 2.862 179.556 176.870 -0.293 0.000 1.072 211 L CA 1.729 56.318 54.840 -0.419 0.000 0.744 211 L CB -0.470 41.232 42.059 -0.596 0.000 0.895 211 L HN 0.426 nan 8.230 nan 0.000 0.433 212 R N -0.387 119.935 120.500 -0.297 0.000 2.159 212 R HA -0.289 4.049 4.340 -0.003 0.000 0.249 212 R C 2.234 178.360 176.300 -0.291 0.000 1.136 212 R CA 1.967 57.883 56.100 -0.306 0.000 0.951 212 R CB -0.689 29.387 30.300 -0.373 0.000 0.876 212 R HN 0.526 nan 8.270 nan 0.000 0.440 213 A N 0.924 123.595 122.820 -0.248 0.000 1.883 213 A HA -0.174 4.144 4.320 -0.003 0.000 0.217 213 A C 2.102 179.689 177.584 0.005 0.000 1.186 213 A CA 1.376 53.345 52.037 -0.114 0.000 0.624 213 A CB -0.402 18.560 19.000 -0.064 0.000 0.822 213 A HN 0.153 nan 8.150 nan 0.000 0.444 214 I N -0.295 120.189 120.570 -0.143 0.000 2.252 214 I HA -0.174 3.994 4.170 -0.003 0.000 0.245 214 I C 2.277 178.379 176.117 -0.025 0.000 1.102 214 I CA 1.521 62.747 61.300 -0.125 0.000 1.385 214 I CB -1.226 36.536 38.000 -0.398 0.000 1.064 214 I HN 0.359 nan 8.210 nan 0.000 0.414 215 K N 0.362 120.706 120.400 -0.094 0.000 2.020 215 K HA -0.249 4.069 4.320 -0.003 0.000 0.212 215 K C 2.048 178.516 176.600 -0.220 0.000 1.050 215 K CA 1.568 57.783 56.287 -0.120 0.000 0.929 215 K CB -0.462 31.967 32.500 -0.119 0.000 0.714 215 K HN 0.106 nan 8.250 nan 0.000 0.443 216 L N 0.401 121.496 121.223 -0.214 0.000 1.970 216 L HA -0.192 4.147 4.340 -0.003 0.000 0.212 216 L C 2.058 178.902 176.870 -0.044 0.000 1.071 216 L CA 1.849 56.534 54.840 -0.258 0.000 0.751 216 L CB -0.890 40.857 42.059 -0.520 0.000 0.889 216 L HN 0.383 nan 8.230 nan 0.000 0.432 217 W N 0.577 121.900 121.300 0.039 0.000 2.304 217 W HA -0.341 4.317 4.660 -0.003 0.000 0.315 217 W C 2.279 178.788 176.519 -0.017 0.000 1.233 217 W CA 3.103 60.567 57.345 0.197 0.000 1.261 217 W CB -0.623 28.996 29.460 0.265 0.000 1.150 217 W HN 0.309 nan 8.180 nan 0.000 0.494 218 A N -0.453 122.225 122.820 -0.237 0.000 1.929 218 A HA -0.169 4.149 4.320 -0.003 0.000 0.216 218 A C 1.873 179.219 177.584 -0.397 0.000 1.176 218 A CA 1.695 53.367 52.037 -0.610 0.000 0.628 218 A CB -0.897 17.745 19.000 -0.597 0.000 0.816 218 A HN 0.485 nan 8.150 nan 0.000 0.444 219 Q N -0.569 119.030 119.800 -0.335 0.000 2.061 219 Q HA -0.156 4.182 4.340 -0.003 0.000 0.204 219 Q C 2.404 178.240 176.000 -0.274 0.000 0.984 219 Q CA 1.782 57.380 55.803 -0.341 0.000 0.846 219 Q CB -0.099 28.398 28.738 -0.400 0.000 0.902 219 Q HN 0.458 nan 8.270 nan 0.000 0.421 220 R N -0.139 120.226 120.500 -0.225 0.000 2.075 220 R HA -0.007 4.331 4.340 -0.003 0.000 0.232 220 R C 1.675 177.878 176.300 -0.162 0.000 1.126 220 R CA 0.889 56.909 56.100 -0.134 0.000 0.963 220 R CB -0.062 30.221 30.300 -0.028 0.000 0.858 220 R HN 0.143 nan 8.270 nan 0.000 0.435 221 R N 0.239 120.537 120.500 -0.337 0.000 2.313 221 R HA 0.165 4.504 4.340 -0.003 0.000 0.199 221 R C 0.622 176.741 176.300 -0.301 0.000 0.958 221 R CA 0.432 56.328 56.100 -0.339 0.000 1.047 221 R CB -0.325 29.608 30.300 -0.613 0.000 0.955 221 R HN 0.238 nan 8.270 nan 0.000 0.481 222 A N 0.691 123.303 122.820 -0.346 0.000 2.791 222 A HA -0.158 4.160 4.320 -0.003 0.000 0.292 222 A C 0.745 177.890 177.584 -0.732 0.000 1.487 222 A CA 0.947 52.695 52.037 -0.481 0.000 0.760 222 A CB -2.142 16.626 19.000 -0.386 0.000 1.031 222 A HN 0.264 nan 8.150 nan 0.000 0.503 223 V N -3.933 115.610 119.914 -0.618 0.000 2.915 223 V HA 0.635 4.753 4.120 -0.003 0.000 0.364 223 V C -0.284 175.821 176.094 0.019 0.000 1.354 223 V CA 0.243 62.187 62.300 -0.594 0.000 1.213 223 V CB -0.334 31.375 31.823 -0.189 0.000 1.268 223 V HN 1.070 nan 8.190 nan 0.000 0.557 224 Y N 1.123 121.302 120.300 -0.201 0.000 2.488 224 Y HA 0.780 5.329 4.550 -0.003 0.000 0.330 224 Y C -0.125 175.807 175.900 0.053 0.000 1.013 224 Y CA -0.047 58.124 58.100 0.119 0.000 1.304 224 Y CB 1.252 39.686 38.460 -0.043 0.000 1.098 224 Y HN 0.465 nan 8.280 nan 0.000 0.498 225 A N 4.664 127.601 122.820 0.195 0.000 1.715 225 A HA 0.085 4.404 4.320 -0.003 0.000 0.273 225 A C -0.075 177.574 177.584 0.109 0.000 1.136 225 A CA -0.283 51.865 52.037 0.185 0.000 0.907 225 A CB -0.601 18.574 19.000 0.293 0.000 1.152 225 A HN 0.858 nan 8.150 nan 0.000 0.375 226 N N 1.722 120.385 118.700 -0.063 0.000 2.069 226 N HA -0.233 4.505 4.740 -0.003 0.000 0.196 226 N C 1.432 176.823 175.510 -0.198 0.000 1.024 226 N CA 2.602 55.558 53.050 -0.158 0.000 0.869 226 N CB -0.199 38.165 38.487 -0.205 0.000 1.035 226 N HN 0.855 nan 8.380 nan 0.000 0.434 227 I N -1.228 119.171 120.570 -0.285 0.000 2.756 227 I HA -0.114 4.054 4.170 -0.003 0.000 0.262 227 I C 0.269 176.124 176.117 -0.435 0.000 1.225 227 I CA 0.901 61.941 61.300 -0.433 0.000 1.472 227 I CB -0.060 37.582 38.000 -0.596 0.000 1.094 227 I HN 0.147 nan 8.210 nan 0.000 0.454 228 F N 0.344 120.290 119.950 -0.006 0.000 2.684 228 F HA 0.362 4.887 4.527 -0.003 0.000 0.298 228 F C 1.506 177.236 175.800 -0.117 0.000 1.120 228 F CA 0.216 58.226 58.000 0.018 0.000 1.332 228 F CB 0.689 39.775 39.000 0.144 0.000 0.986 228 F HN 0.145 nan 8.300 nan 0.000 0.524 229 G N 0.186 108.934 108.800 -0.088 0.000 2.141 229 G HA2 -0.300 3.659 3.960 -0.003 0.000 0.242 229 G HA3 -0.300 3.659 3.960 -0.003 0.000 0.242 229 G C -0.097 174.473 174.900 -0.551 0.000 0.982 229 G CA -0.409 44.492 45.100 -0.331 0.000 0.662 229 G HN 0.283 nan 8.290 nan 0.000 0.527 230 F N 0.490 120.387 119.950 -0.088 0.000 2.497 230 F HA 0.624 5.149 4.527 -0.003 0.000 0.331 230 F C -1.847 173.817 175.800 -0.226 0.000 1.060 230 F CA -2.591 55.341 58.000 -0.113 0.000 0.989 230 F CB 1.512 40.514 39.000 0.003 0.000 1.245 230 F HN -0.193 nan 8.300 nan 0.000 0.486 231 P HA 0.175 nan 4.420 nan 0.000 0.269 231 P C -0.295 176.777 177.300 -0.381 0.000 1.209 231 P CA -0.011 62.789 63.100 -0.501 0.000 0.776 231 P CB 0.569 31.513 31.700 -1.260 0.000 0.876 232 G N 0.865 109.415 108.800 -0.418 0.000 2.795 232 G HA2 0.443 4.401 3.960 -0.003 0.000 0.267 232 G HA3 0.443 4.401 3.960 -0.003 0.000 0.267 232 G C 1.210 175.914 174.900 -0.326 0.000 1.362 232 G CA -0.267 44.572 45.100 -0.436 0.000 1.048 232 G HN 0.494 nan 8.290 nan 0.000 0.547 233 G N -0.960 107.735 108.800 -0.175 0.000 2.476 233 G HA2 -0.185 3.774 3.960 -0.003 0.000 0.218 233 G HA3 -0.185 3.774 3.960 -0.003 0.000 0.218 233 G C 1.614 176.603 174.900 0.150 0.000 1.164 233 G CA 1.705 46.887 45.100 0.137 0.000 0.768 233 G HN 0.474 nan 8.290 nan 0.000 0.560 234 V N 1.426 121.383 119.914 0.071 0.000 2.427 234 V HA -0.047 4.071 4.120 -0.003 0.000 0.248 234 V C 3.277 179.391 176.094 0.034 0.000 1.051 234 V CA 1.808 64.155 62.300 0.079 0.000 1.048 234 V CB -0.814 31.043 31.823 0.057 0.000 0.666 234 V HN 0.504 nan 8.190 nan 0.000 0.456 235 A N -0.483 122.286 122.820 -0.085 0.000 1.865 235 A HA -0.253 4.066 4.320 -0.003 0.000 0.217 235 A C 1.969 179.486 177.584 -0.113 0.000 1.191 235 A CA 2.039 53.956 52.037 -0.199 0.000 0.623 235 A CB -0.996 17.756 19.000 -0.412 0.000 0.826 235 A HN 0.642 nan 8.150 nan 0.000 0.444 236 W N -0.325 121.008 121.300 0.055 0.000 2.342 236 W HA -0.111 4.548 4.660 -0.003 0.000 0.297 236 W C 2.775 179.392 176.519 0.164 0.000 1.213 236 W CA 1.190 58.631 57.345 0.161 0.000 1.251 236 W CB -0.172 29.394 29.460 0.176 0.000 1.136 236 W HN 0.430 nan 8.180 nan 0.000 0.526 237 A N -0.047 122.984 122.820 0.353 0.000 1.908 237 A HA -0.241 4.077 4.320 -0.003 0.000 0.218 237 A C 1.921 179.721 177.584 0.359 0.000 1.181 237 A CA 2.020 54.261 52.037 0.340 0.000 0.627 237 A CB -0.772 18.423 19.000 0.326 0.000 0.818 237 A HN 0.304 nan 8.150 nan 0.000 0.445 238 M N -0.878 118.854 119.600 0.219 0.000 2.236 238 M HA 0.008 4.487 4.480 -0.003 0.000 0.266 238 M C 2.088 178.480 176.300 0.153 0.000 1.070 238 M CA 0.956 56.343 55.300 0.146 0.000 1.137 238 M CB -0.418 32.204 32.600 0.037 0.000 1.378 238 M HN 0.360 nan 8.290 nan 0.000 0.426 239 L N -0.486 120.840 121.223 0.170 0.000 2.043 239 L HA -0.224 4.114 4.340 -0.003 0.000 0.212 239 L C 2.389 179.472 176.870 0.354 0.000 1.075 239 L CA 1.064 56.024 54.840 0.199 0.000 0.752 239 L CB -0.835 41.395 42.059 0.285 0.000 0.891 239 L HN 0.132 nan 8.230 nan 0.000 0.432 240 V N -0.149 120.039 119.914 0.456 0.000 2.427 240 V HA -0.247 3.871 4.120 -0.003 0.000 0.248 240 V C 2.738 179.060 176.094 0.381 0.000 1.051 240 V CA 1.591 64.119 62.300 0.380 0.000 1.048 240 V CB -0.847 31.048 31.823 0.121 0.000 0.666 240 V HN 0.476 nan 8.190 nan 0.000 0.456 241 A N 0.466 123.534 122.820 0.414 0.000 1.908 241 A HA -0.290 4.029 4.320 -0.003 0.000 0.218 241 A C 2.309 180.002 177.584 0.181 0.000 1.181 241 A CA 2.280 54.486 52.037 0.281 0.000 0.627 241 A CB -0.554 18.522 19.000 0.127 0.000 0.818 241 A HN 0.451 nan 8.150 nan 0.000 0.445 242 R N 0.096 120.684 120.500 0.147 0.000 2.091 242 R HA -0.120 4.218 4.340 -0.003 0.000 0.238 242 R C 1.763 178.154 176.300 0.152 0.000 1.136 242 R CA 1.943 58.106 56.100 0.106 0.000 0.959 242 R CB -0.520 29.794 30.300 0.024 0.000 0.856 242 R HN 0.514 nan 8.270 nan 0.000 0.437 243 I N -0.357 120.330 120.570 0.195 0.000 2.233 243 I HA -0.250 3.918 4.170 -0.003 0.000 0.243 243 I C 2.383 178.676 176.117 0.294 0.000 1.093 243 I CA 0.847 62.300 61.300 0.255 0.000 1.380 243 I CB -1.618 36.540 38.000 0.265 0.000 1.067 243 I HN 0.192 nan 8.210 nan 0.000 0.413 244 C N 0.718 120.176 119.300 0.263 0.000 2.385 244 C HA -0.229 4.230 4.460 -0.003 0.000 0.275 244 C C 2.949 178.070 174.990 0.218 0.000 1.207 244 C CA 1.002 60.171 59.018 0.251 0.000 1.760 244 C CB -1.222 26.674 27.740 0.260 0.000 2.051 244 C HN 0.549 nan 8.230 nan 0.000 0.467 245 Q N -0.130 119.771 119.800 0.168 0.000 2.112 245 Q HA -0.175 4.163 4.340 -0.003 0.000 0.206 245 Q C 2.155 178.241 176.000 0.143 0.000 0.987 245 Q CA 1.358 57.250 55.803 0.147 0.000 0.858 245 Q CB -0.246 28.555 28.738 0.105 0.000 0.905 245 Q HN 0.692 nan 8.270 nan 0.000 0.420 246 L N -1.019 120.259 121.223 0.092 0.000 2.275 246 L HA -0.133 4.205 4.340 -0.003 0.000 0.215 246 L C 0.243 176.876 176.870 -0.395 0.000 1.119 246 L CA 0.884 55.644 54.840 -0.133 0.000 0.790 246 L CB 0.104 42.084 42.059 -0.132 0.000 0.919 246 L HN 0.267 nan 8.230 nan 0.000 0.443 247 Y N -1.404 118.961 120.300 0.108 0.000 2.490 247 Y HA 0.232 4.781 4.550 -0.003 0.000 0.346 247 Y C -1.635 174.333 175.900 0.114 0.000 1.023 247 Y CA -1.654 56.501 58.100 0.090 0.000 1.142 247 Y CB 0.343 38.851 38.460 0.079 0.000 1.126 247 Y HN -0.080 nan 8.280 nan 0.000 0.647 248 P HA -0.091 nan 4.420 nan 0.000 0.228 248 P C -0.013 177.407 177.300 0.200 0.000 1.151 248 P CA 1.347 64.600 63.100 0.255 0.000 0.770 248 P CB 0.388 32.315 31.700 0.379 0.000 0.786 249 N N -1.077 117.727 118.700 0.173 0.000 2.238 249 N HA 0.265 5.003 4.740 -0.003 0.000 0.235 249 N C 0.045 175.634 175.510 0.131 0.000 1.209 249 N CA -0.302 52.829 53.050 0.135 0.000 0.879 249 N CB 0.521 39.070 38.487 0.103 0.000 1.136 249 N HN 0.047 nan 8.380 nan 0.000 0.517 250 A N 0.507 123.423 122.820 0.159 0.000 2.302 250 A HA 0.482 4.800 4.320 -0.003 0.000 0.285 250 A C 0.781 178.430 177.584 0.107 0.000 1.105 250 A CA -0.745 51.370 52.037 0.130 0.000 0.816 250 A CB 0.118 19.192 19.000 0.123 0.000 1.067 250 A HN 0.472 nan 8.150 nan 0.000 0.489 251 C N 0.174 119.531 119.300 0.094 0.000 2.563 251 C HA 0.540 4.998 4.460 -0.003 0.000 0.358 251 C C 1.706 176.743 174.990 0.078 0.000 1.336 251 C CA 0.108 59.174 59.018 0.080 0.000 2.454 251 C CB 0.213 27.998 27.740 0.075 0.000 2.448 251 C HN 0.783 nan 8.230 nan 0.000 0.670 252 S N 0.834 116.562 115.700 0.047 0.000 2.428 252 S HA -0.017 4.451 4.470 -0.003 0.000 0.230 252 S C 2.194 176.813 174.600 0.033 0.000 1.014 252 S CA 1.177 59.383 58.200 0.010 0.000 0.957 252 S CB -0.665 62.507 63.200 -0.047 0.000 0.784 252 S HN 1.063 nan 8.310 nan 0.000 0.499 253 A N 1.482 124.365 122.820 0.104 0.000 1.892 253 A HA -0.123 4.196 4.320 -0.003 0.000 0.218 253 A C 2.335 180.243 177.584 0.539 0.000 1.188 253 A CA 1.908 54.156 52.037 0.352 0.000 0.631 253 A CB -1.031 18.186 19.000 0.361 0.000 0.822 253 A HN 0.359 nan 8.150 nan 0.000 0.447 254 V N 0.510 120.641 119.914 0.361 0.000 2.379 254 V HA -0.209 3.909 4.120 -0.003 0.000 0.245 254 V C 2.443 178.516 176.094 -0.035 0.000 1.044 254 V CA 1.583 63.995 62.300 0.188 0.000 1.036 254 V CB -0.651 31.227 31.823 0.093 0.000 0.664 254 V HN 0.519 nan 8.190 nan 0.000 0.453 255 I N -0.049 120.513 120.570 -0.015 0.000 2.151 255 I HA -0.280 3.888 4.170 -0.003 0.000 0.243 255 I C 2.405 178.474 176.117 -0.079 0.000 1.080 255 I CA 1.873 63.146 61.300 -0.044 0.000 1.339 255 I CB -1.301 36.705 38.000 0.010 0.000 1.039 255 I HN 0.276 nan 8.210 nan 0.000 0.409 256 L N 0.207 121.389 121.223 -0.068 0.000 1.989 256 L HA -0.266 4.072 4.340 -0.003 0.000 0.211 256 L C 2.483 179.299 176.870 -0.091 0.000 1.071 256 L CA 1.943 56.682 54.840 -0.169 0.000 0.749 256 L CB -0.906 41.192 42.059 0.066 0.000 0.890 256 L HN 0.435 nan 8.230 nan 0.000 0.431 257 N N 0.117 118.833 118.700 0.026 0.000 2.018 257 N HA -0.238 4.500 4.740 -0.003 0.000 0.196 257 N C 2.042 177.496 175.510 -0.094 0.000 1.043 257 N CA 1.395 54.389 53.050 -0.094 0.000 0.856 257 N CB 0.101 38.202 38.487 -0.644 0.000 1.042 257 N HN 0.144 nan 8.380 nan 0.000 0.423 258 R N 0.453 120.845 120.500 -0.179 0.000 2.127 258 R HA -0.108 4.230 4.340 -0.003 0.000 0.238 258 R C 1.954 178.226 176.300 -0.048 0.000 1.134 258 R CA 0.683 56.695 56.100 -0.146 0.000 0.975 258 R CB -1.531 28.566 30.300 -0.338 0.000 0.865 258 R HN 0.460 nan 8.270 nan 0.000 0.447 259 F N 0.086 119.858 119.950 -0.296 0.000 2.102 259 F HA -0.162 4.364 4.527 -0.002 0.000 0.298 259 F C 1.758 177.270 175.800 -0.480 0.000 1.105 259 F CA 1.449 59.197 58.000 -0.419 0.000 1.239 259 F CB -0.325 38.301 39.000 -0.623 0.000 0.991 259 F HN -0.076 nan 8.300 nan 0.000 0.474 260 F N 0.259 120.208 119.950 -0.001 0.000 2.234 260 F HA -0.104 4.421 4.527 -0.003 0.000 0.299 260 F C 2.217 177.949 175.800 -0.112 0.000 1.087 260 F CA 0.840 58.763 58.000 -0.129 0.000 1.340 260 F CB -0.409 38.612 39.000 0.035 0.000 1.031 260 F HN -0.015 nan 8.300 nan 0.000 0.500 261 I N -0.191 120.436 120.570 0.094 0.000 2.235 261 I HA -0.243 3.925 4.170 -0.003 0.000 0.241 261 I C 2.210 178.351 176.117 0.040 0.000 1.085 261 I CA 1.311 62.652 61.300 0.069 0.000 1.378 261 I CB -0.282 37.739 38.000 0.035 0.000 1.076 261 I HN 0.050 nan 8.210 nan 0.000 0.415 262 I N 0.024 120.594 120.570 -0.000 0.000 2.315 262 I HA -0.260 3.908 4.170 -0.003 0.000 0.248 262 I C 2.141 178.304 176.117 0.077 0.000 1.117 262 I CA 0.959 62.294 61.300 0.059 0.000 1.404 262 I CB -0.066 38.003 38.000 0.115 0.000 1.071 262 I HN 0.182 nan 8.210 nan 0.000 0.419 263 L N 0.235 121.346 121.223 -0.187 0.000 2.217 263 L HA -0.107 4.231 4.340 -0.003 0.000 0.211 263 L C 2.773 179.782 176.870 0.231 0.000 1.107 263 L CA 1.839 56.543 54.840 -0.227 0.000 0.783 263 L CB -1.320 40.079 42.059 -1.100 0.000 0.919 263 L HN 0.337 nan 8.230 nan 0.000 0.442 264 S N -1.364 114.454 115.700 0.196 0.000 2.387 264 S HA -0.120 4.349 4.470 -0.003 0.000 0.226 264 S C 1.708 176.536 174.600 0.380 0.000 1.026 264 S CA 0.760 59.237 58.200 0.461 0.000 0.972 264 S CB -0.288 63.146 63.200 0.389 0.000 0.814 264 S HN 0.501 nan 8.310 nan 0.000 0.477 265 E N -0.094 120.247 120.200 0.235 0.000 2.385 265 E HA 0.080 4.428 4.350 -0.003 0.000 0.194 265 E C 0.205 176.851 176.600 0.077 0.000 1.013 265 E CA -0.482 56.005 56.400 0.146 0.000 0.866 265 E CB -0.001 29.744 29.700 0.075 0.000 0.832 265 E HN 0.564 nan 8.360 nan 0.000 0.500 266 W N 2.749 123.943 121.300 -0.177 0.000 2.560 266 W HA -0.147 4.513 4.660 0.000 0.000 0.335 266 W C 0.433 176.621 176.519 -0.552 0.000 1.147 266 W CA 0.632 57.654 57.345 -0.538 0.000 1.277 266 W CB 0.166 28.977 29.460 -1.082 0.000 1.152 266 W HN -0.006 nan 8.180 nan 0.000 0.561 267 N N 6.193 124.538 118.700 -0.591 0.000 3.178 267 N HA -0.014 4.724 4.740 -0.003 0.000 0.300 267 N C -0.841 174.638 175.510 -0.053 0.000 1.242 267 N CA -0.265 52.632 53.050 -0.256 0.000 1.192 267 N CB -0.580 37.746 38.487 -0.267 0.000 1.463 267 N HN 0.242 nan 8.380 nan 0.000 0.539 268 W N 2.395 123.868 121.300 0.288 0.000 2.565 268 W HA 0.227 4.886 4.660 -0.002 0.000 0.325 268 W C -1.611 175.023 176.519 0.192 0.000 1.408 268 W CA -1.366 56.161 57.345 0.304 0.000 1.350 268 W CB 0.710 30.325 29.460 0.257 0.000 1.426 268 W HN 0.439 nan 8.180 nan 0.000 0.538 269 P HA 0.015 nan 4.420 nan 0.000 0.310 269 P C -0.265 177.324 177.300 0.482 0.000 1.351 269 P CA -0.111 63.272 63.100 0.471 0.000 1.116 269 P CB 0.562 32.455 31.700 0.322 0.000 1.589 270 Q N 2.626 122.649 119.800 0.372 0.000 2.263 270 Q HA 0.115 4.453 4.340 -0.003 0.000 0.289 270 Q C -2.058 174.245 176.000 0.505 0.000 1.061 270 Q CA -0.987 55.013 55.803 0.328 0.000 0.927 270 Q CB -0.414 28.370 28.738 0.075 0.000 1.154 270 Q HN 0.305 nan 8.270 nan 0.000 0.378 271 P HA 0.055 nan 4.420 nan 0.000 0.278 271 P C -0.430 177.010 177.300 0.233 0.000 1.238 271 P CA -0.432 62.818 63.100 0.250 0.000 0.794 271 P CB 0.991 32.708 31.700 0.029 0.000 0.955 272 V N 4.471 124.396 119.914 0.018 0.000 2.408 272 V HA 0.389 4.507 4.120 -0.003 0.000 0.267 272 V C -0.445 175.623 176.094 -0.043 0.000 1.047 272 V CA -0.218 62.035 62.300 -0.079 0.000 0.937 272 V CB -0.874 30.662 31.823 -0.479 0.000 0.999 272 V HN 0.303 nan 8.190 nan 0.000 0.472 273 I N 6.097 126.695 120.570 0.046 0.000 2.509 273 I HA 0.366 4.534 4.170 -0.003 0.000 0.293 273 I C 0.145 176.291 176.117 0.048 0.000 1.020 273 I CA -0.680 60.641 61.300 0.035 0.000 1.088 273 I CB 2.119 40.167 38.000 0.079 0.000 1.267 273 I HN 0.502 nan 8.210 nan 0.000 0.430 274 L N 4.509 125.748 121.223 0.027 0.000 2.408 274 L HA 0.238 4.576 4.340 -0.003 0.000 0.215 274 L C 0.496 177.382 176.870 0.027 0.000 1.081 274 L CA 1.178 56.033 54.840 0.025 0.000 0.840 274 L CB -0.409 41.652 42.059 0.005 0.000 1.002 274 L HN 0.612 nan 8.230 nan 0.000 0.468 275 K N -2.195 118.224 120.400 0.032 0.000 2.495 275 K HA 0.603 4.921 4.320 -0.003 0.000 0.268 275 K C -2.861 173.771 176.600 0.054 0.000 1.008 275 K CA -1.919 54.389 56.287 0.035 0.000 0.882 275 K CB 0.705 33.217 32.500 0.020 0.000 1.443 275 K HN -0.385 nan 8.250 nan 0.000 0.447 276 P HA 0.093 nan 4.420 nan 0.000 0.268 276 P C -0.610 176.741 177.300 0.085 0.000 1.204 276 P CA -0.074 63.068 63.100 0.070 0.000 0.768 276 P CB 0.286 32.020 31.700 0.056 0.000 0.842 277 I N 3.028 123.664 120.570 0.110 0.000 2.598 277 I HA 0.002 4.170 4.170 -0.003 0.000 0.284 277 I C 1.372 177.572 176.117 0.138 0.000 1.140 277 I CA 0.184 61.567 61.300 0.138 0.000 1.420 277 I CB -0.013 38.090 38.000 0.172 0.000 1.387 277 I HN 0.414 nan 8.210 nan 0.000 0.553 278 E N 4.589 124.891 120.200 0.170 0.000 2.280 278 E HA 0.350 4.698 4.350 -0.003 0.000 0.264 278 E C -1.067 175.653 176.600 0.200 0.000 1.064 278 E CA -0.909 55.578 56.400 0.144 0.000 0.900 278 E CB 1.374 31.132 29.700 0.095 0.000 1.123 278 E HN 0.437 nan 8.360 nan 0.000 0.418 279 D N -0.602 119.843 120.400 0.076 0.000 2.294 279 D HA 0.587 5.226 4.640 -0.003 0.000 0.250 279 D C -0.350 175.835 176.300 -0.192 0.000 1.058 279 D CA 0.002 54.038 54.000 0.060 0.000 0.950 279 D CB 1.475 42.288 40.800 0.022 0.000 1.158 279 D HN 0.623 nan 8.370 nan 0.000 0.453 280 G N 0.519 109.220 108.800 -0.165 0.000 2.427 280 G HA2 0.257 4.216 3.960 -0.003 0.000 0.306 280 G HA3 0.257 4.216 3.960 -0.003 0.000 0.306 280 G C -2.452 172.426 174.900 -0.037 0.000 1.280 280 G CA -0.670 44.170 45.100 -0.433 0.000 0.837 280 G HN 0.382 nan 8.290 nan 0.000 0.482 281 P HA 0.228 nan 4.420 nan 0.000 0.249 281 P C 0.360 177.752 177.300 0.152 0.000 1.229 281 P CA 0.403 63.542 63.100 0.065 0.000 0.788 281 P CB 0.081 31.794 31.700 0.022 0.000 1.072 282 L N -0.541 120.867 121.223 0.309 0.000 3.083 282 L HA 0.295 4.633 4.340 -0.003 0.000 0.286 282 L C 1.455 178.424 176.870 0.165 0.000 1.307 282 L CA -0.399 54.560 54.840 0.199 0.000 0.897 282 L CB 0.557 42.699 42.059 0.138 0.000 1.306 282 L HN -0.247 nan 8.230 nan 0.000 0.569 283 Q N 0.486 120.401 119.800 0.191 0.000 2.096 283 Q HA -0.126 4.212 4.340 -0.003 0.000 0.204 283 Q C 2.286 178.357 176.000 0.119 0.000 0.982 283 Q CA 1.307 57.212 55.803 0.170 0.000 0.850 283 Q CB -0.093 28.730 28.738 0.141 0.000 0.901 283 Q HN 0.420 nan 8.270 nan 0.000 0.422 284 V N 0.744 120.721 119.914 0.105 0.000 2.636 284 V HA -0.269 3.849 4.120 -0.003 0.000 0.258 284 V C 2.312 178.434 176.094 0.047 0.000 1.092 284 V CA 1.908 64.279 62.300 0.118 0.000 1.110 284 V CB -0.386 31.488 31.823 0.085 0.000 0.685 284 V HN 0.282 nan 8.190 nan 0.000 0.481 285 R N -0.932 119.567 120.500 -0.002 0.000 2.280 285 R HA 0.102 4.440 4.340 -0.003 0.000 0.195 285 R C 0.476 176.749 176.300 -0.045 0.000 0.935 285 R CA -0.012 56.050 56.100 -0.064 0.000 1.033 285 R CB 0.414 30.656 30.300 -0.096 0.000 0.964 285 R HN 0.384 nan 8.270 nan 0.000 0.489 286 V N 1.494 121.411 119.914 0.006 0.000 2.614 286 V HA -0.017 4.101 4.120 -0.003 0.000 0.291 286 V C -0.100 176.113 176.094 0.197 0.000 1.049 286 V CA -0.515 61.825 62.300 0.068 0.000 1.038 286 V CB 0.635 32.510 31.823 0.088 0.000 0.980 286 V HN 0.247 nan 8.190 nan 0.000 0.481 287 W N 6.191 127.521 121.300 0.049 0.000 2.223 287 W HA 0.246 4.904 4.660 -0.003 0.000 0.334 287 W C 0.375 176.981 176.519 0.145 0.000 1.334 287 W CA 0.372 57.783 57.345 0.109 0.000 1.246 287 W CB 0.192 29.719 29.460 0.111 0.000 1.184 287 W HN 0.656 nan 8.180 nan 0.000 0.563 288 N N 7.396 125.878 118.700 -0.364 0.000 2.976 288 N HA 0.112 4.850 4.740 -0.003 0.000 0.249 288 N C -2.322 172.862 175.510 -0.544 0.000 1.258 288 N CA -1.283 51.524 53.050 -0.404 0.000 0.864 288 N CB 1.582 40.013 38.487 -0.094 0.000 1.551 288 N HN 0.141 nan 8.380 nan 0.000 0.607 289 P HA 0.025 nan 4.420 nan 0.000 0.241 289 P C 0.746 177.861 177.300 -0.308 0.000 1.191 289 P CA 0.498 63.261 63.100 -0.561 0.000 0.771 289 P CB 0.595 31.963 31.700 -0.554 0.000 0.929 290 K N -0.314 119.917 120.400 -0.282 0.000 2.186 290 K HA 0.158 4.476 4.320 -0.003 0.000 0.202 290 K C 2.012 178.470 176.600 -0.236 0.000 1.052 290 K CA 0.697 56.862 56.287 -0.203 0.000 0.965 290 K CB -0.300 32.105 32.500 -0.159 0.000 0.746 290 K HN 0.282 nan 8.250 nan 0.000 0.457 291 I N -0.839 119.522 120.570 -0.349 0.000 2.731 291 I HA -0.076 4.092 4.170 -0.003 0.000 0.260 291 I C 0.041 175.783 176.117 -0.626 0.000 1.138 291 I CA 0.314 61.293 61.300 -0.535 0.000 1.461 291 I CB 0.320 37.863 38.000 -0.762 0.000 1.128 291 I HN -0.079 nan 8.210 nan 0.000 0.438 292 Y N 0.072 120.272 120.300 -0.166 0.000 2.334 292 Y HA 0.480 5.029 4.550 -0.002 0.000 0.336 292 Y C 1.131 176.927 175.900 -0.174 0.000 0.960 292 Y CA -0.788 57.219 58.100 -0.156 0.000 1.164 292 Y CB 1.382 39.746 38.460 -0.160 0.000 1.155 292 Y HN -0.079 nan 8.280 nan 0.000 0.478 293 A N 2.426 125.250 122.820 0.007 0.000 1.940 293 A HA -0.277 4.041 4.320 -0.003 0.000 0.219 293 A C 2.134 179.680 177.584 -0.063 0.000 1.176 293 A CA 2.184 54.200 52.037 -0.035 0.000 0.631 293 A CB -0.421 18.568 19.000 -0.019 0.000 0.814 293 A HN 0.921 nan 8.150 nan 0.000 0.446 294 Q N -0.418 119.353 119.800 -0.048 0.000 2.084 294 Q HA -0.238 4.101 4.340 -0.003 0.000 0.202 294 Q C 1.256 177.055 176.000 -0.335 0.000 0.978 294 Q CA 1.900 57.635 55.803 -0.113 0.000 0.844 294 Q CB -0.215 28.485 28.738 -0.064 0.000 0.898 294 Q HN 0.583 nan 8.270 nan 0.000 0.426 295 D N 0.151 120.367 120.400 -0.308 0.000 2.117 295 D HA -0.181 4.458 4.640 -0.003 0.000 0.197 295 D C 1.840 177.897 176.300 -0.405 0.000 0.987 295 D CA 1.232 54.932 54.000 -0.499 0.000 0.829 295 D CB -0.262 40.249 40.800 -0.483 0.000 0.961 295 D HN 0.274 nan 8.370 nan 0.000 0.460 296 R N 0.691 121.038 120.500 -0.254 0.000 2.193 296 R HA -0.070 4.268 4.340 -0.003 0.000 0.229 296 R C 1.652 177.936 176.300 -0.025 0.000 1.110 296 R CA 1.364 57.393 56.100 -0.118 0.000 0.988 296 R CB 0.023 30.262 30.300 -0.102 0.000 0.871 296 R HN 0.181 nan 8.270 nan 0.000 0.458 297 S N -1.125 114.524 115.700 -0.086 0.000 2.593 297 S HA 0.017 4.485 4.470 -0.003 0.000 0.217 297 S C -0.122 174.541 174.600 0.105 0.000 0.966 297 S CA -0.533 57.670 58.200 0.006 0.000 0.914 297 S CB -0.329 62.868 63.200 -0.006 0.000 0.776 297 S HN 0.384 nan 8.310 nan 0.000 0.523 298 H N 1.271 120.462 119.070 0.203 0.000 2.848 298 H HA 0.255 4.809 4.556 -0.003 0.000 0.341 298 H C 1.258 176.690 175.328 0.173 0.000 1.060 298 H CA -0.305 55.866 56.048 0.204 0.000 1.444 298 H CB 0.665 30.617 29.762 0.317 0.000 1.446 298 H HN 0.246 nan 8.280 nan 0.000 0.583 299 R N 2.084 122.710 120.500 0.210 0.000 2.189 299 R HA 0.168 4.506 4.340 -0.003 0.000 0.203 299 R C 0.122 176.482 176.300 0.099 0.000 1.012 299 R CA 0.766 56.942 56.100 0.127 0.000 1.015 299 R CB 0.610 30.926 30.300 0.027 0.000 0.938 299 R HN 0.587 nan 8.270 nan 0.000 0.472 300 M N 1.122 120.719 119.600 -0.006 0.000 2.850 300 M HA 0.288 4.766 4.480 -0.003 0.000 0.288 300 M C -2.671 173.581 176.300 -0.081 0.000 1.450 300 M CA -1.668 53.512 55.300 -0.200 0.000 0.555 300 M CB 2.330 34.509 32.600 -0.701 0.000 1.507 300 M HN -0.295 nan 8.290 nan 0.000 0.415 301 P HA 0.202 nan 4.420 nan 0.000 0.276 301 P C -0.659 176.550 177.300 -0.152 0.000 1.243 301 P CA -0.172 62.877 63.100 -0.085 0.000 0.768 301 P CB 0.970 32.609 31.700 -0.101 0.000 0.856 302 V N 5.638 125.386 119.914 -0.275 0.000 2.376 302 V HA 0.297 4.415 4.120 -0.003 0.000 0.287 302 V C -0.032 175.881 176.094 -0.301 0.000 1.015 302 V CA -0.563 61.589 62.300 -0.247 0.000 0.834 302 V CB 1.422 33.110 31.823 -0.225 0.000 1.001 302 V HN 0.378 nan 8.190 nan 0.000 0.428 303 I N 4.250 124.644 120.570 -0.293 0.000 2.321 303 I HA 0.287 4.455 4.170 -0.003 0.000 0.291 303 I C 1.039 177.070 176.117 -0.142 0.000 0.998 303 I CA -0.201 60.924 61.300 -0.291 0.000 1.227 303 I CB 1.686 39.492 38.000 -0.324 0.000 1.368 303 I HN 0.753 nan 8.210 nan 0.000 0.466 304 T N 5.348 119.836 114.554 -0.111 0.000 2.934 304 T HA 0.148 4.496 4.350 -0.003 0.000 0.306 304 T C -1.492 173.191 174.700 -0.029 0.000 1.042 304 T CA -0.850 61.215 62.100 -0.058 0.000 1.145 304 T CB 0.780 69.619 68.868 -0.049 0.000 0.982 304 T HN 0.480 nan 8.240 nan 0.000 0.544 305 P HA 0.135 nan 4.420 nan 0.000 0.221 305 P C 0.599 177.915 177.300 0.026 0.000 1.155 305 P CA 0.375 63.480 63.100 0.008 0.000 0.812 305 P CB -0.115 31.585 31.700 0.000 0.000 0.801 306 A N 0.004 122.832 122.820 0.014 0.000 2.425 306 A HA 0.124 4.442 4.320 -0.003 0.000 0.249 306 A C -0.105 177.512 177.584 0.056 0.000 1.084 306 A CA -0.340 51.717 52.037 0.034 0.000 0.781 306 A CB -0.722 18.280 19.000 0.003 0.000 1.019 306 A HN 0.115 nan 8.150 nan 0.000 0.490 307 Y N 3.572 123.867 120.300 -0.009 0.000 2.709 307 Y HA 0.141 4.689 4.550 -0.003 0.000 0.348 307 Y C -1.402 174.496 175.900 -0.005 0.000 1.267 307 Y CA -0.734 57.367 58.100 0.001 0.000 1.486 307 Y CB 0.042 38.499 38.460 -0.004 0.000 1.356 307 Y HN 0.593 nan 8.280 nan 0.000 0.639 308 P HA -0.182 nan 4.420 nan 0.000 0.252 308 P C -0.649 176.493 177.300 -0.264 0.000 1.126 308 P CA 0.705 63.350 63.100 -0.758 0.000 0.777 308 P CB 0.056 31.401 31.700 -0.591 0.000 0.711 309 S N 3.377 118.996 115.700 -0.134 0.000 2.546 309 S HA 0.192 4.660 4.470 -0.003 0.000 0.290 309 S C 0.712 175.330 174.600 0.032 0.000 1.262 309 S CA -0.083 58.111 58.200 -0.009 0.000 1.083 309 S CB -0.483 62.761 63.200 0.072 0.000 0.859 309 S HN 0.469 nan 8.310 nan 0.000 0.495 310 M N 2.561 122.160 119.600 -0.001 0.000 2.690 310 M HA 0.638 5.116 4.480 -0.003 0.000 0.302 310 M C -0.612 175.636 176.300 -0.087 0.000 1.234 310 M CA -0.855 54.465 55.300 0.032 0.000 0.853 310 M CB 1.278 33.890 32.600 0.020 0.000 1.748 310 M HN 0.386 nan 8.290 nan 0.000 0.469 311 C N 2.030 121.271 119.300 -0.097 0.000 2.394 311 C HA 0.770 5.228 4.460 -0.003 0.000 0.362 311 C C 1.334 176.220 174.990 -0.173 0.000 1.268 311 C CA 0.203 59.041 59.018 -0.301 0.000 1.828 311 C CB -0.226 27.258 27.740 -0.426 0.000 2.442 311 C HN 0.950 nan 8.230 nan 0.000 0.549 312 A N 3.684 126.363 122.820 -0.235 0.000 2.275 312 A HA 0.190 4.508 4.320 -0.003 0.000 0.212 312 A C 1.371 178.744 177.584 -0.352 0.000 1.201 312 A CA 0.887 52.789 52.037 -0.225 0.000 0.843 312 A CB -0.293 18.596 19.000 -0.185 0.000 0.873 312 A HN 1.073 nan 8.150 nan 0.000 0.492 313 T N -3.357 110.955 114.554 -0.403 0.000 3.339 313 T HA 0.201 4.549 4.350 -0.003 0.000 0.292 313 T C 0.902 175.326 174.700 -0.460 0.000 1.012 313 T CA 0.315 62.148 62.100 -0.444 0.000 0.937 313 T CB -1.001 67.633 68.868 -0.390 0.000 1.164 313 T HN 0.660 nan 8.240 nan 0.000 0.509 314 H N 0.804 119.619 119.070 -0.426 0.000 2.489 314 H HA 0.048 4.602 4.556 -0.003 0.000 0.295 314 H C 1.753 176.975 175.328 -0.175 0.000 1.082 314 H CA 1.425 57.205 56.048 -0.447 0.000 1.295 314 H CB -0.545 28.954 29.762 -0.438 0.000 1.380 314 H HN 0.240 nan 8.280 nan 0.000 0.548 315 N N 0.721 119.170 118.700 -0.418 0.000 2.381 315 N HA -0.011 4.727 4.740 -0.003 0.000 0.182 315 N C 0.188 175.579 175.510 -0.197 0.000 1.025 315 N CA 0.423 53.332 53.050 -0.236 0.000 0.888 315 N CB -0.087 38.205 38.487 -0.325 0.000 0.965 315 N HN 0.412 nan 8.380 nan 0.000 0.438 316 I N 1.571 121.994 120.570 -0.244 0.000 2.741 316 I HA -0.106 4.063 4.170 -0.003 0.000 0.288 316 I C 1.053 177.063 176.117 -0.179 0.000 1.192 316 I CA 0.327 61.468 61.300 -0.266 0.000 1.426 316 I CB 0.189 38.014 38.000 -0.290 0.000 1.367 316 I HN 0.130 nan 8.210 nan 0.000 0.563 317 T N 1.396 115.823 114.554 -0.212 0.000 2.938 317 T HA 0.248 4.596 4.350 -0.003 0.000 0.285 317 T C 0.909 175.527 174.700 -0.136 0.000 1.028 317 T CA -0.748 61.270 62.100 -0.137 0.000 1.005 317 T CB 1.915 70.707 68.868 -0.127 0.000 1.157 317 T HN 0.658 nan 8.240 nan 0.000 0.550 318 E N 0.436 120.585 120.200 -0.085 0.000 2.086 318 E HA -0.207 4.141 4.350 -0.003 0.000 0.205 318 E C 2.194 178.736 176.600 -0.097 0.000 1.027 318 E CA 2.121 58.480 56.400 -0.068 0.000 0.830 318 E CB -0.312 29.363 29.700 -0.042 0.000 0.751 318 E HN 0.683 nan 8.360 nan 0.000 0.456 319 S N -0.325 115.305 115.700 -0.117 0.000 2.343 319 S HA -0.174 4.295 4.470 -0.003 0.000 0.219 319 S C 2.230 176.707 174.600 -0.206 0.000 1.033 319 S CA 1.949 60.069 58.200 -0.135 0.000 1.014 319 S CB -0.658 62.466 63.200 -0.126 0.000 0.915 319 S HN 0.583 nan 8.310 nan 0.000 0.435 320 T N 0.850 115.211 114.554 -0.321 0.000 2.759 320 T HA -0.105 4.243 4.350 -0.003 0.000 0.269 320 T C 1.685 176.203 174.700 -0.303 0.000 1.042 320 T CA 1.420 63.219 62.100 -0.501 0.000 1.140 320 T CB -0.357 67.935 68.868 -0.960 0.000 0.864 320 T HN 0.290 nan 8.240 nan 0.000 0.455 321 K N 1.352 121.599 120.400 -0.254 0.000 2.009 321 K HA -0.184 4.135 4.320 -0.003 0.000 0.210 321 K C 2.453 178.972 176.600 -0.136 0.000 1.049 321 K CA 1.608 57.768 56.287 -0.211 0.000 0.929 321 K CB -0.222 32.175 32.500 -0.172 0.000 0.714 321 K HN 0.392 nan 8.250 nan 0.000 0.440 322 K N 0.187 120.535 120.400 -0.087 0.000 2.074 322 K HA -0.165 4.153 4.320 -0.003 0.000 0.209 322 K C 2.086 178.675 176.600 -0.018 0.000 1.048 322 K CA 1.790 58.059 56.287 -0.030 0.000 0.926 322 K CB -0.186 32.308 32.500 -0.011 0.000 0.713 322 K HN 0.032 nan 8.250 nan 0.000 0.444 323 V N 1.604 121.491 119.914 -0.044 0.000 2.307 323 V HA -0.225 3.893 4.120 -0.003 0.000 0.245 323 V C 2.198 178.308 176.094 0.026 0.000 1.045 323 V CA 1.608 63.913 62.300 0.008 0.000 1.024 323 V CB -0.408 31.383 31.823 -0.053 0.000 0.651 323 V HN 0.243 nan 8.190 nan 0.000 0.449 324 I N -0.405 120.158 120.570 -0.012 0.000 2.163 324 I HA -0.282 3.886 4.170 -0.003 0.000 0.243 324 I C 2.407 178.330 176.117 -0.323 0.000 1.085 324 I CA 1.623 62.825 61.300 -0.163 0.000 1.347 324 I CB -0.426 37.427 38.000 -0.245 0.000 1.044 324 I HN 0.237 nan 8.210 nan 0.000 0.408 325 L N -0.056 121.072 121.223 -0.159 0.000 2.012 325 L HA -0.290 4.048 4.340 -0.003 0.000 0.210 325 L C 2.725 179.671 176.870 0.126 0.000 1.073 325 L CA 1.664 56.520 54.840 0.026 0.000 0.748 325 L CB -0.647 41.467 42.059 0.091 0.000 0.891 325 L HN 0.342 nan 8.230 nan 0.000 0.431 326 Q N -0.442 119.413 119.800 0.092 0.000 2.096 326 Q HA -0.257 4.081 4.340 -0.003 0.000 0.208 326 Q C 2.171 178.267 176.000 0.160 0.000 0.993 326 Q CA 1.871 57.745 55.803 0.118 0.000 0.862 326 Q CB -0.006 28.790 28.738 0.096 0.000 0.915 326 Q HN 0.409 nan 8.270 nan 0.000 0.416 327 E N -0.314 119.980 120.200 0.157 0.000 2.106 327 E HA -0.132 4.216 4.350 -0.003 0.000 0.192 327 E C 1.838 178.746 176.600 0.512 0.000 0.984 327 E CA 0.726 57.292 56.400 0.276 0.000 0.806 327 E CB -0.149 29.668 29.700 0.196 0.000 0.750 327 E HN 0.308 nan 8.360 nan 0.000 0.458 328 F N 0.839 121.063 119.950 0.456 0.000 2.095 328 F HA -0.174 4.351 4.527 -0.003 0.000 0.298 328 F C 2.617 178.546 175.800 0.215 0.000 1.104 328 F CA 1.180 59.436 58.000 0.426 0.000 1.232 328 F CB -1.487 37.764 39.000 0.418 0.000 0.987 328 F HN -0.041 nan 8.300 nan 0.000 0.475 329 V N -0.196 119.938 119.914 0.367 0.000 2.515 329 V HA -0.208 3.910 4.120 -0.003 0.000 0.250 329 V C 2.435 178.597 176.094 0.112 0.000 1.058 329 V CA 1.971 64.398 62.300 0.211 0.000 1.064 329 V CB -0.763 31.165 31.823 0.175 0.000 0.675 329 V HN 0.337 nan 8.190 nan 0.000 0.461 330 R N 0.873 121.437 120.500 0.108 0.000 2.073 330 R HA -0.061 4.277 4.340 -0.003 0.000 0.234 330 R C 2.401 178.646 176.300 -0.091 0.000 1.134 330 R CA 2.019 58.141 56.100 0.036 0.000 0.952 330 R CB -1.149 29.198 30.300 0.079 0.000 0.850 330 R HN 0.587 nan 8.270 nan 0.000 0.433 331 G N 0.157 108.792 108.800 -0.276 0.000 2.469 331 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.220 331 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.220 331 G C 1.409 176.071 174.900 -0.396 0.000 1.136 331 G CA 1.016 45.575 45.100 -0.902 0.000 0.759 331 G HN 0.247 nan 8.290 nan 0.000 0.562 332 V N 0.352 120.215 119.914 -0.085 0.000 2.261 332 V HA -0.271 3.847 4.120 -0.003 0.000 0.246 332 V C 2.876 178.957 176.094 -0.021 0.000 1.047 332 V CA 2.390 64.710 62.300 0.033 0.000 1.015 332 V CB -0.773 31.102 31.823 0.087 0.000 0.642 332 V HN 0.404 nan 8.190 nan 0.000 0.446 333 Q N -0.487 119.297 119.800 -0.027 0.000 2.030 333 Q HA -0.198 4.141 4.340 -0.003 0.000 0.204 333 Q C 2.186 178.151 176.000 -0.057 0.000 0.986 333 Q CA 2.210 57.995 55.803 -0.030 0.000 0.843 333 Q CB -0.277 28.450 28.738 -0.018 0.000 0.904 333 Q HN 0.606 nan 8.270 nan 0.000 0.420 334 I N 0.137 120.652 120.570 -0.092 0.000 2.233 334 I HA -0.242 3.926 4.170 -0.003 0.000 0.243 334 I C 2.556 178.596 176.117 -0.129 0.000 1.093 334 I CA 1.468 62.699 61.300 -0.115 0.000 1.380 334 I CB -0.643 37.277 38.000 -0.132 0.000 1.067 334 I HN 0.374 nan 8.210 nan 0.000 0.413 335 T N -1.297 113.194 114.554 -0.106 0.000 2.684 335 T HA -0.224 4.124 4.350 -0.003 0.000 0.267 335 T C 1.569 176.265 174.700 -0.007 0.000 1.036 335 T CA 2.010 64.080 62.100 -0.049 0.000 1.148 335 T CB -1.093 67.817 68.868 0.069 0.000 0.863 335 T HN 0.392 nan 8.240 nan 0.000 0.436 336 N N 1.368 120.035 118.700 -0.055 0.000 2.104 336 N HA -0.142 4.596 4.740 -0.003 0.000 0.190 336 N C 1.677 177.194 175.510 0.012 0.000 1.024 336 N CA 1.414 54.442 53.050 -0.037 0.000 0.853 336 N CB -0.223 38.238 38.487 -0.043 0.000 1.008 336 N HN 0.432 nan 8.380 nan 0.000 0.424 337 D N 0.953 121.336 120.400 -0.029 0.000 2.117 337 D HA -0.090 4.549 4.640 -0.003 0.000 0.197 337 D C 1.966 178.221 176.300 -0.075 0.000 0.987 337 D CA 0.790 54.762 54.000 -0.047 0.000 0.829 337 D CB -0.153 40.607 40.800 -0.067 0.000 0.961 337 D HN 0.343 nan 8.370 nan 0.000 0.460 338 I N -0.084 120.407 120.570 -0.132 0.000 2.286 338 I HA -0.233 3.936 4.170 -0.003 0.000 0.248 338 I C 1.974 177.978 176.117 -0.189 0.000 1.115 338 I CA 0.838 61.969 61.300 -0.282 0.000 1.392 338 I CB -0.271 37.333 38.000 -0.661 0.000 1.065 338 I HN -0.106 nan 8.210 nan 0.000 0.418 339 F N 0.555 120.379 119.950 -0.209 0.000 2.661 339 F HA -0.083 4.443 4.527 -0.002 0.000 0.298 339 F C 2.240 177.991 175.800 -0.083 0.000 1.137 339 F CA 0.682 58.611 58.000 -0.118 0.000 1.454 339 F CB -0.013 38.942 39.000 -0.076 0.000 1.103 339 F HN 0.089 nan 8.300 nan 0.000 0.577 340 S N -1.649 114.084 115.700 0.055 0.000 2.593 340 S HA 0.130 4.598 4.470 -0.003 0.000 0.236 340 S C 0.363 174.945 174.600 -0.030 0.000 0.991 340 S CA -0.359 57.849 58.200 0.013 0.000 0.963 340 S CB -0.241 62.970 63.200 0.018 0.000 0.865 340 S HN 0.357 nan 8.310 nan 0.000 0.488 341 N N 1.127 119.785 118.700 -0.069 0.000 2.782 341 N HA -0.151 4.588 4.740 -0.003 0.000 0.251 341 N C 0.423 175.892 175.510 -0.068 0.000 1.101 341 N CA 1.097 54.098 53.050 -0.082 0.000 0.764 341 N CB -1.241 37.210 38.487 -0.061 0.000 1.122 341 N HN 0.561 nan 8.380 nan 0.000 0.561 342 K N -0.042 120.318 120.400 -0.068 0.000 2.242 342 K HA 0.173 4.492 4.320 -0.003 0.000 0.200 342 K C 0.768 177.326 176.600 -0.069 0.000 1.050 342 K CA 0.862 57.115 56.287 -0.055 0.000 0.981 342 K CB 0.425 32.899 32.500 -0.044 0.000 0.795 342 K HN 0.180 nan 8.250 nan 0.000 0.477 343 K N -1.027 119.312 120.400 -0.102 0.000 2.137 343 K HA 0.289 4.607 4.320 -0.003 0.000 0.251 343 K C -1.142 175.352 176.600 -0.177 0.000 1.048 343 K CA -0.785 55.431 56.287 -0.119 0.000 0.873 343 K CB 1.989 34.418 32.500 -0.119 0.000 1.442 343 K HN -0.005 nan 8.250 nan 0.000 0.467 344 S N -1.602 113.991 115.700 -0.178 0.000 2.627 344 S HA 0.322 4.790 4.470 -0.003 0.000 0.283 344 S C 0.003 174.494 174.600 -0.183 0.000 1.127 344 S CA -0.840 57.252 58.200 -0.180 0.000 0.863 344 S CB 0.568 63.745 63.200 -0.038 0.000 1.121 344 S HN 0.774 nan 8.310 nan 0.000 0.479 345 W N 0.891 122.174 121.300 -0.028 0.000 2.358 345 W HA 0.025 4.683 4.660 -0.003 0.000 0.303 345 W C 2.800 179.278 176.519 -0.069 0.000 1.208 345 W CA 0.962 58.261 57.345 -0.076 0.000 1.274 345 W CB -0.508 28.989 29.460 0.061 0.000 1.138 345 W HN 0.937 nan 8.180 nan 0.000 0.515 346 A N 1.193 124.195 122.820 0.304 0.000 1.940 346 A HA -0.363 3.955 4.320 -0.003 0.000 0.221 346 A C 1.579 179.253 177.584 0.150 0.000 1.190 346 A CA 2.554 54.745 52.037 0.257 0.000 0.647 346 A CB -1.336 17.766 19.000 0.169 0.000 0.821 346 A HN 0.552 nan 8.150 nan 0.000 0.457 347 N N -0.662 118.065 118.700 0.046 0.000 2.104 347 N HA -0.144 4.595 4.740 -0.003 0.000 0.190 347 N C 1.618 177.115 175.510 -0.021 0.000 1.024 347 N CA 1.298 54.349 53.050 0.002 0.000 0.853 347 N CB -0.283 38.178 38.487 -0.042 0.000 1.008 347 N HN 0.439 nan 8.380 nan 0.000 0.424 348 L N 0.188 121.336 121.223 -0.126 0.000 2.079 348 L HA -0.065 4.273 4.340 -0.003 0.000 0.210 348 L C 0.981 177.829 176.870 -0.037 0.000 1.081 348 L CA 1.620 56.353 54.840 -0.178 0.000 0.752 348 L CB -0.318 41.508 42.059 -0.389 0.000 0.896 348 L HN 0.170 nan 8.230 nan 0.000 0.433 349 F N -0.546 119.527 119.950 0.204 0.000 2.773 349 F HA 0.153 4.678 4.527 -0.003 0.000 0.304 349 F C 0.972 176.816 175.800 0.073 0.000 1.129 349 F CA -0.616 57.475 58.000 0.151 0.000 1.378 349 F CB -0.258 38.813 39.000 0.118 0.000 1.095 349 F HN 0.017 nan 8.300 nan 0.000 0.565 350 E N 2.363 122.675 120.200 0.186 0.000 2.415 350 E HA -0.042 4.306 4.350 -0.003 0.000 0.263 350 E C 0.394 177.043 176.600 0.082 0.000 0.995 350 E CA -0.126 56.340 56.400 0.110 0.000 0.915 350 E CB 0.528 30.264 29.700 0.061 0.000 0.951 350 E HN 0.105 nan 8.360 nan 0.000 0.449 351 K N 4.274 124.716 120.400 0.070 0.000 2.586 351 K HA -0.125 4.193 4.320 -0.003 0.000 0.280 351 K C 0.426 177.064 176.600 0.064 0.000 0.972 351 K CA -0.052 56.274 56.287 0.064 0.000 1.040 351 K CB 0.331 32.876 32.500 0.075 0.000 0.870 351 K HN 0.583 nan 8.250 nan 0.000 0.497 352 N N 2.403 121.150 118.700 0.079 0.000 2.297 352 N HA -0.095 4.643 4.740 -0.003 0.000 0.232 352 N C -0.384 175.216 175.510 0.151 0.000 1.311 352 N CA -0.021 53.092 53.050 0.105 0.000 0.897 352 N CB 0.559 39.134 38.487 0.147 0.000 1.137 352 N HN 0.623 nan 8.380 nan 0.000 0.449 353 D N -1.197 119.293 120.400 0.151 0.000 2.891 353 D HA 0.043 4.681 4.640 -0.003 0.000 0.332 353 D C 0.723 177.172 176.300 0.248 0.000 1.369 353 D CA -0.699 53.420 54.000 0.197 0.000 0.827 353 D CB -0.943 39.880 40.800 0.039 0.000 1.141 353 D HN 0.495 nan 8.370 nan 0.000 0.464 354 F N 0.675 120.640 119.950 0.026 0.000 2.115 354 F HA -0.154 4.371 4.527 -0.003 0.000 0.300 354 F C 1.025 176.678 175.800 -0.244 0.000 1.092 354 F CA 1.586 59.466 58.000 -0.200 0.000 1.245 354 F CB -0.120 38.602 39.000 -0.463 0.000 0.995 354 F HN 0.012 nan 8.300 nan 0.000 0.481 355 F N -1.644 118.341 119.950 0.058 0.000 2.811 355 F HA 0.047 4.572 4.527 -0.003 0.000 0.301 355 F C 1.218 176.868 175.800 -0.249 0.000 1.151 355 F CA 0.252 58.071 58.000 -0.302 0.000 1.412 355 F CB -0.351 38.253 39.000 -0.659 0.000 1.113 355 F HN -0.063 nan 8.300 nan 0.000 0.579 356 F N -0.308 119.694 119.950 0.088 0.000 2.653 356 F HA 0.113 4.639 4.527 -0.003 0.000 0.288 356 F C 2.001 177.757 175.800 -0.074 0.000 1.121 356 F CA -0.020 58.006 58.000 0.043 0.000 1.384 356 F CB -0.140 38.875 39.000 0.026 0.000 1.115 356 F HN -0.184 nan 8.300 nan 0.000 0.599 357 R N -1.124 119.349 120.500 -0.046 0.000 2.297 357 R HA 0.107 4.445 4.340 -0.003 0.000 0.197 357 R C -0.752 175.154 176.300 -0.657 0.000 0.943 357 R CA 0.557 56.453 56.100 -0.341 0.000 1.038 357 R CB -1.155 28.888 30.300 -0.428 0.000 0.957 357 R HN 0.164 nan 8.270 nan 0.000 0.484 358 Y N 0.024 120.183 120.300 -0.234 0.000 2.509 358 Y HA 0.415 4.963 4.550 -0.003 0.000 0.341 358 Y C 0.699 176.379 175.900 -0.366 0.000 1.038 358 Y CA -1.321 56.523 58.100 -0.426 0.000 1.089 358 Y CB 2.107 40.031 38.460 -0.894 0.000 1.241 358 Y HN -0.272 nan 8.280 nan 0.000 0.468 359 K N 1.011 121.217 120.400 -0.322 0.000 2.361 359 K HA 0.242 4.560 4.320 -0.003 0.000 0.194 359 K C -1.146 174.898 176.600 -0.927 0.000 1.032 359 K CA 0.407 56.323 56.287 -0.618 0.000 1.048 359 K CB 0.412 32.404 32.500 -0.846 0.000 0.842 359 K HN 0.369 nan 8.250 nan 0.000 0.526 360 F N -0.431 119.369 119.950 -0.250 0.000 2.569 360 F HA 0.423 4.948 4.527 -0.003 0.000 0.312 360 F C -0.851 174.564 175.800 -0.643 0.000 1.109 360 F CA -1.244 56.563 58.000 -0.320 0.000 0.919 360 F CB 1.534 40.605 39.000 0.119 0.000 1.211 360 F HN -0.244 nan 8.300 nan 0.000 0.446 361 Y N 2.547 122.773 120.300 -0.123 0.000 2.433 361 Y HA 0.551 5.100 4.550 -0.003 0.000 0.337 361 Y C -1.118 174.787 175.900 0.009 0.000 1.026 361 Y CA -0.987 57.099 58.100 -0.024 0.000 1.037 361 Y CB 2.108 40.607 38.460 0.065 0.000 1.245 361 Y HN 0.481 nan 8.280 nan 0.000 0.443 362 L N 4.824 126.187 121.223 0.233 0.000 2.272 362 L HA 0.500 4.839 4.340 -0.003 0.000 0.289 362 L C -0.420 176.503 176.870 0.089 0.000 1.032 362 L CA -0.299 54.652 54.840 0.186 0.000 0.810 362 L CB 0.736 42.887 42.059 0.153 0.000 1.205 362 L HN 0.718 nan 8.230 nan 0.000 0.422 363 E N 4.818 125.020 120.200 0.003 0.000 2.171 363 E HA 0.554 4.902 4.350 -0.003 0.000 0.271 363 E C -1.215 175.317 176.600 -0.113 0.000 0.916 363 E CA -0.766 55.507 56.400 -0.211 0.000 0.774 363 E CB 2.052 31.508 29.700 -0.407 0.000 1.128 363 E HN 0.468 nan 8.360 nan 0.000 0.403 364 I N 2.402 122.885 120.570 -0.145 0.000 2.362 364 I HA 0.227 4.395 4.170 -0.003 0.000 0.289 364 I C -0.517 175.571 176.117 -0.049 0.000 0.994 364 I CA -0.216 61.056 61.300 -0.046 0.000 1.158 364 I CB 2.125 40.084 38.000 -0.068 0.000 1.315 364 I HN 0.518 nan 8.210 nan 0.000 0.451 365 T N 5.455 119.999 114.554 -0.017 0.000 2.792 365 T HA 0.729 5.077 4.350 -0.003 0.000 0.280 365 T C -0.311 174.265 174.700 -0.206 0.000 0.990 365 T CA -0.617 61.373 62.100 -0.184 0.000 0.960 365 T CB 1.488 70.165 68.868 -0.319 0.000 0.939 365 T HN 0.598 nan 8.240 nan 0.000 0.439 366 A N 3.530 126.210 122.820 -0.234 0.000 2.276 366 A HA 0.761 5.079 4.320 -0.003 0.000 0.316 366 A C -1.321 176.328 177.584 0.108 0.000 1.229 366 A CA -0.559 51.436 52.037 -0.070 0.000 0.851 366 A CB 0.289 19.078 19.000 -0.351 0.000 1.165 366 A HN 0.823 nan 8.150 nan 0.000 0.513 367 Y N 0.558 121.208 120.300 0.583 0.000 2.429 367 Y HA 0.599 5.148 4.550 -0.003 0.000 0.342 367 Y C 0.366 176.708 175.900 0.736 0.000 1.004 367 Y CA -0.434 58.018 58.100 0.585 0.000 1.075 367 Y CB 2.694 41.440 38.460 0.477 0.000 1.214 367 Y HN 0.539 nan 8.280 nan 0.000 0.455 368 T N 3.815 118.808 114.554 0.733 0.000 2.906 368 T HA 0.273 4.621 4.350 -0.003 0.000 0.302 368 T C -0.523 174.212 174.700 0.058 0.000 1.002 368 T CA -0.887 61.471 62.100 0.431 0.000 0.988 368 T CB 0.669 69.886 68.868 0.583 0.000 0.972 368 T HN 0.355 nan 8.240 nan 0.000 0.447 369 R N 2.779 123.002 120.500 -0.462 0.000 2.408 369 R HA 0.609 4.947 4.340 -0.003 0.000 0.308 369 R C 0.316 176.400 176.300 -0.360 0.000 1.210 369 R CA 0.167 55.876 56.100 -0.652 0.000 1.115 369 R CB 0.056 29.525 30.300 -1.385 0.000 1.127 369 R HN 1.014 nan 8.270 nan 0.000 0.523 370 G N 0.573 109.293 108.800 -0.133 0.000 2.485 370 G HA2 0.016 3.974 3.960 -0.003 0.000 0.182 370 G HA3 0.016 3.974 3.960 -0.003 0.000 0.182 370 G C -1.160 173.786 174.900 0.078 0.000 1.172 370 G CA -0.076 44.971 45.100 -0.088 0.000 0.996 370 G HN 0.454 nan 8.290 nan 0.000 0.496 371 S N -0.233 115.508 115.700 0.068 0.000 2.722 371 S HA 0.496 4.964 4.470 -0.003 0.000 0.292 371 S C 1.183 175.769 174.600 -0.024 0.000 1.135 371 S CA 0.792 59.046 58.200 0.089 0.000 1.003 371 S CB 1.908 65.141 63.200 0.055 0.000 1.067 371 S HN 0.858 nan 8.310 nan 0.000 0.546 372 D N 0.898 121.246 120.400 -0.088 0.000 2.123 372 D HA -0.278 4.360 4.640 -0.003 0.000 0.196 372 D C 1.496 177.706 176.300 -0.150 0.000 0.992 372 D CA 2.007 55.818 54.000 -0.315 0.000 0.833 372 D CB -0.662 40.072 40.800 -0.111 0.000 0.954 372 D HN 0.900 nan 8.370 nan 0.000 0.455 373 E N 0.304 120.492 120.200 -0.020 0.000 2.230 373 E HA -0.138 4.210 4.350 -0.003 0.000 0.192 373 E C 2.164 178.834 176.600 0.116 0.000 0.987 373 E CA 0.234 56.657 56.400 0.038 0.000 0.841 373 E CB -0.447 29.280 29.700 0.046 0.000 0.783 373 E HN 0.321 nan 8.360 nan 0.000 0.481 374 Q N 0.349 120.246 119.800 0.163 0.000 2.077 374 Q HA -0.251 4.087 4.340 -0.003 0.000 0.206 374 Q C 2.091 178.357 176.000 0.444 0.000 0.989 374 Q CA 2.146 58.162 55.803 0.356 0.000 0.853 374 Q CB -0.312 28.616 28.738 0.317 0.000 0.907 374 Q HN 0.455 nan 8.270 nan 0.000 0.418 375 H N 0.244 119.407 119.070 0.156 0.000 2.389 375 H HA -0.030 4.524 4.556 -0.003 0.000 0.299 375 H C 1.854 177.234 175.328 0.086 0.000 1.081 375 H CA 1.147 57.281 56.048 0.144 0.000 1.345 375 H CB -0.115 29.557 29.762 -0.150 0.000 1.393 375 H HN 0.129 nan 8.280 nan 0.000 0.520 376 L N 0.231 121.456 121.223 0.004 0.000 1.990 376 L HA -0.268 4.070 4.340 -0.003 0.000 0.213 376 L C 2.383 179.226 176.870 -0.045 0.000 1.072 376 L CA 2.067 56.882 54.840 -0.042 0.000 0.755 376 L CB -0.342 41.721 42.059 0.005 0.000 0.889 376 L HN 0.361 nan 8.230 nan 0.000 0.432 377 K N -1.109 119.325 120.400 0.057 0.000 2.026 377 K HA -0.244 4.074 4.320 -0.003 0.000 0.208 377 K C 1.940 178.547 176.600 0.011 0.000 1.048 377 K CA 1.907 58.247 56.287 0.089 0.000 0.929 377 K CB -0.356 32.274 32.500 0.217 0.000 0.713 377 K HN 0.491 nan 8.250 nan 0.000 0.439 378 W N 1.817 122.971 121.300 -0.243 0.000 2.407 378 W HA -0.204 4.454 4.660 -0.003 0.000 0.305 378 W C 2.119 178.387 176.519 -0.418 0.000 1.196 378 W CA 1.665 58.676 57.345 -0.557 0.000 1.311 378 W CB -0.060 29.182 29.460 -0.363 0.000 1.135 378 W HN 0.169 nan 8.180 nan 0.000 0.514 379 S N 0.479 115.838 115.700 -0.569 0.000 2.383 379 S HA -0.072 4.396 4.470 -0.003 0.000 0.227 379 S C 2.056 176.403 174.600 -0.422 0.000 1.026 379 S CA 1.350 59.169 58.200 -0.635 0.000 0.981 379 S CB -1.343 61.440 63.200 -0.695 0.000 0.818 379 S HN 0.276 nan 8.310 nan 0.000 0.472 380 G N 2.312 110.931 108.800 -0.301 0.000 2.476 380 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.218 380 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.218 380 G C 1.379 176.146 174.900 -0.221 0.000 1.164 380 G CA 1.173 46.154 45.100 -0.197 0.000 0.768 380 G HN 0.493 nan 8.290 nan 0.000 0.560 381 L N 0.538 121.594 121.223 -0.279 0.000 2.012 381 L HA -0.046 4.292 4.340 -0.003 0.000 0.210 381 L C 2.946 179.611 176.870 -0.342 0.000 1.073 381 L CA 1.604 56.277 54.840 -0.279 0.000 0.748 381 L CB -0.531 41.345 42.059 -0.305 0.000 0.891 381 L HN 0.091 nan 8.230 nan 0.000 0.431 382 V N -0.312 119.285 119.914 -0.529 0.000 2.295 382 V HA -0.299 3.820 4.120 -0.003 0.000 0.246 382 V C 2.581 178.603 176.094 -0.120 0.000 1.049 382 V CA 2.023 64.058 62.300 -0.440 0.000 1.024 382 V CB -0.594 30.841 31.823 -0.646 0.000 0.648 382 V HN 0.580 nan 8.190 nan 0.000 0.447 383 E N 0.520 120.648 120.200 -0.119 0.000 2.130 383 E HA -0.248 4.100 4.350 -0.003 0.000 0.196 383 E C 2.228 178.821 176.600 -0.012 0.000 0.998 383 E CA 1.656 58.070 56.400 0.023 0.000 0.806 383 E CB -0.130 29.548 29.700 -0.037 0.000 0.738 383 E HN 0.743 nan 8.360 nan 0.000 0.459 384 S N -0.443 115.199 115.700 -0.097 0.000 2.515 384 S HA -0.006 4.462 4.470 -0.003 0.000 0.231 384 S C 1.471 176.055 174.600 -0.026 0.000 0.987 384 S CA 0.387 58.524 58.200 -0.106 0.000 0.936 384 S CB 0.157 63.284 63.200 -0.121 0.000 0.766 384 S HN 0.068 nan 8.310 nan 0.000 0.528 385 K N 0.821 121.247 120.400 0.044 0.000 2.354 385 K HA 0.361 4.680 4.320 -0.003 0.000 0.194 385 K C 1.821 178.661 176.600 0.400 0.000 1.038 385 K CA 0.268 56.637 56.287 0.137 0.000 1.052 385 K CB -0.554 31.914 32.500 -0.054 0.000 0.861 385 K HN 0.301 nan 8.250 nan 0.000 0.535 386 V N 1.685 121.838 119.914 0.398 0.000 2.332 386 V HA -0.247 3.871 4.120 -0.003 0.000 0.248 386 V C 2.587 178.785 176.094 0.174 0.000 1.055 386 V CA 1.861 64.335 62.300 0.289 0.000 1.038 386 V CB -0.426 31.578 31.823 0.301 0.000 0.651 386 V HN 0.327 nan 8.190 nan 0.000 0.450 387 R N -0.467 120.152 120.500 0.198 0.000 2.139 387 R HA -0.184 4.155 4.340 -0.003 0.000 0.243 387 R C 2.182 178.527 176.300 0.076 0.000 1.145 387 R CA 1.631 57.802 56.100 0.118 0.000 0.976 387 R CB -0.268 30.073 30.300 0.068 0.000 0.866 387 R HN 0.484 nan 8.270 nan 0.000 0.449 388 L N 0.122 121.415 121.223 0.116 0.000 2.109 388 L HA -0.165 4.173 4.340 -0.003 0.000 0.207 388 L C 2.339 179.274 176.870 0.107 0.000 1.086 388 L CA 0.405 55.312 54.840 0.111 0.000 0.760 388 L CB -0.416 41.725 42.059 0.136 0.000 0.910 388 L HN 0.232 nan 8.230 nan 0.000 0.437 389 L N -0.482 120.812 121.223 0.118 0.000 2.046 389 L HA -0.152 4.186 4.340 -0.003 0.000 0.208 389 L C 2.402 179.251 176.870 -0.036 0.000 1.077 389 L CA 1.562 56.400 54.840 -0.003 0.000 0.747 389 L CB -0.431 41.442 42.059 -0.309 0.000 0.896 389 L HN -0.079 nan 8.230 nan 0.000 0.432 390 V N -0.133 119.762 119.914 -0.031 0.000 2.231 390 V HA -0.427 3.692 4.120 -0.003 0.000 0.248 390 V C 2.609 178.685 176.094 -0.030 0.000 1.054 390 V CA 2.634 64.913 62.300 -0.036 0.000 1.015 390 V CB -0.561 31.246 31.823 -0.027 0.000 0.638 390 V HN 0.476 nan 8.190 nan 0.000 0.444 391 M N -0.862 118.731 119.600 -0.011 0.000 2.082 391 M HA -0.257 4.221 4.480 -0.003 0.000 0.258 391 M C 2.274 178.573 176.300 -0.001 0.000 1.069 391 M CA 2.009 57.306 55.300 -0.006 0.000 1.102 391 M CB -0.612 31.994 32.600 0.010 0.000 1.336 391 M HN 0.236 nan 8.290 nan 0.000 0.404 392 K N -0.011 120.396 120.400 0.011 0.000 2.057 392 K HA -0.144 4.174 4.320 -0.003 0.000 0.207 392 K C 1.903 178.499 176.600 -0.007 0.000 1.049 392 K CA 1.064 57.358 56.287 0.012 0.000 0.931 392 K CB -0.177 32.343 32.500 0.034 0.000 0.714 392 K HN 0.144 nan 8.250 nan 0.000 0.440 393 L N 1.657 122.867 121.223 -0.020 0.000 2.027 393 L HA -0.161 4.177 4.340 -0.003 0.000 0.206 393 L C 2.288 179.133 176.870 -0.042 0.000 1.074 393 L CA 1.788 56.606 54.840 -0.036 0.000 0.745 393 L CB -0.862 41.163 42.059 -0.056 0.000 0.898 393 L HN 0.296 nan 8.230 nan 0.000 0.433 394 E N -0.395 119.778 120.200 -0.045 0.000 2.274 394 E HA -0.125 4.223 4.350 -0.003 0.000 0.194 394 E C 1.665 178.247 176.600 -0.031 0.000 0.996 394 E CA 1.307 57.677 56.400 -0.050 0.000 0.840 394 E CB -0.418 29.249 29.700 -0.054 0.000 0.772 394 E HN 0.379 nan 8.360 nan 0.000 0.491 395 V N -0.858 119.044 119.914 -0.019 0.000 3.461 395 V HA 0.080 4.198 4.120 -0.003 0.000 0.267 395 V C 0.788 176.879 176.094 -0.006 0.000 1.186 395 V CA -0.059 62.236 62.300 -0.009 0.000 1.154 395 V CB -0.593 31.228 31.823 -0.003 0.000 0.802 395 V HN 0.052 nan 8.190 nan 0.000 0.474 396 L N 2.328 123.545 121.223 -0.010 0.000 2.410 396 L HA 0.563 4.901 4.340 -0.003 0.000 0.273 396 L C 0.971 177.844 176.870 0.006 0.000 1.152 396 L CA -0.057 54.782 54.840 -0.003 0.000 0.855 396 L CB 0.389 42.447 42.059 -0.003 0.000 1.129 396 L HN 0.330 nan 8.230 nan 0.000 0.463 397 A N 2.938 125.764 122.820 0.011 0.000 2.522 397 A HA 0.471 4.789 4.320 -0.003 0.000 0.256 397 A C 1.208 178.813 177.584 0.035 0.000 1.086 397 A CA 0.714 52.763 52.037 0.020 0.000 0.763 397 A CB -0.481 18.529 19.000 0.016 0.000 1.024 397 A HN 1.236 nan 8.150 nan 0.000 0.502 398 G N 1.783 110.616 108.800 0.055 0.000 2.491 398 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.203 398 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.203 398 G C 0.157 175.148 174.900 0.151 0.000 1.052 398 G CA -0.066 45.100 45.100 0.111 0.000 0.675 398 G HN 0.744 nan 8.290 nan 0.000 0.504 399 I N 2.336 122.935 120.570 0.048 0.000 2.337 399 I HA 0.270 4.439 4.170 -0.003 0.000 0.291 399 I C 1.291 177.365 176.117 -0.072 0.000 1.046 399 I CA 0.194 61.447 61.300 -0.078 0.000 1.324 399 I CB 1.281 39.219 38.000 -0.104 0.000 1.409 399 I HN 0.353 nan 8.210 nan 0.000 0.494 400 K N 6.295 126.633 120.400 -0.104 0.000 2.166 400 K HA 0.230 4.548 4.320 -0.003 0.000 0.201 400 K C 0.356 176.917 176.600 -0.065 0.000 1.052 400 K CA 0.804 57.063 56.287 -0.047 0.000 0.969 400 K CB 0.790 33.287 32.500 -0.006 0.000 0.761 400 K HN 0.597 nan 8.250 nan 0.000 0.459 401 I N -0.357 120.131 120.570 -0.136 0.000 2.787 401 I HA 0.283 4.451 4.170 -0.003 0.000 0.294 401 I C -2.107 173.882 176.117 -0.212 0.000 1.365 401 I CA -0.832 60.394 61.300 -0.125 0.000 1.029 401 I CB 2.259 40.232 38.000 -0.044 0.000 1.313 401 I HN -0.010 nan 8.210 nan 0.000 0.431 402 A N 5.364 128.092 122.820 -0.153 0.000 2.360 402 A HA 0.416 4.734 4.320 -0.003 0.000 0.309 402 A C -1.279 176.280 177.584 -0.042 0.000 1.311 402 A CA -0.265 51.686 52.037 -0.143 0.000 0.805 402 A CB 0.032 18.966 19.000 -0.110 0.000 1.144 402 A HN 0.829 nan 8.150 nan 0.000 0.486 403 H N 4.934 123.907 119.070 -0.161 0.000 2.685 403 H HA 0.412 4.967 4.556 -0.003 0.000 0.286 403 H C -2.511 172.953 175.328 0.227 0.000 1.102 403 H CA -2.252 53.819 56.048 0.039 0.000 1.254 403 H CB 1.036 30.809 29.762 0.018 0.000 1.397 403 H HN 0.407 nan 8.280 nan 0.000 0.473 404 P HA -0.011 nan 4.420 nan 0.000 0.276 404 P C -0.481 177.001 177.300 0.303 0.000 1.230 404 P CA -0.132 63.139 63.100 0.285 0.000 0.776 404 P CB 0.862 32.635 31.700 0.121 0.000 0.888 405 F N 2.659 122.406 119.950 -0.337 0.000 2.399 405 F HA 0.167 4.692 4.527 -0.003 0.000 0.313 405 F C 1.684 177.224 175.800 -0.434 0.000 1.202 405 F CA 0.357 57.912 58.000 -0.740 0.000 1.192 405 F CB 0.602 38.927 39.000 -1.124 0.000 1.256 405 F HN 0.346 nan 8.300 nan 0.000 0.558 406 T N -1.169 112.689 114.554 -1.160 0.000 3.069 406 T HA 0.415 4.763 4.350 -0.003 0.000 0.252 406 T C 0.031 174.559 174.700 -0.286 0.000 1.053 406 T CA 0.422 62.191 62.100 -0.552 0.000 0.964 406 T CB -0.585 67.943 68.868 -0.566 0.000 1.005 406 T HN 0.646 nan 8.240 nan 0.000 0.532 407 K N 1.646 121.814 120.400 -0.386 0.000 2.501 407 K HA 0.756 5.074 4.320 -0.003 0.000 0.252 407 K C -3.602 173.015 176.600 0.028 0.000 0.934 407 K CA -2.134 54.090 56.287 -0.106 0.000 0.797 407 K CB 0.821 33.185 32.500 -0.227 0.000 1.270 407 K HN 0.067 nan 8.250 nan 0.000 0.431 408 P HA 0.497 nan 4.420 nan 0.000 0.274 408 P C -0.946 176.362 177.300 0.012 0.000 1.231 408 P CA -0.440 62.748 63.100 0.147 0.000 0.790 408 P CB 0.244 32.040 31.700 0.159 0.000 0.951 409 F N 1.002 121.070 119.950 0.196 0.000 2.404 409 F HA 0.321 4.846 4.527 -0.003 0.000 0.354 409 F C 0.980 176.854 175.800 0.123 0.000 1.122 409 F CA -0.019 58.081 58.000 0.166 0.000 1.080 409 F CB 1.151 40.283 39.000 0.221 0.000 1.131 409 F HN 0.188 nan 8.300 nan 0.000 0.471 410 E N 1.995 122.318 120.200 0.204 0.000 2.222 410 E HA 0.660 5.009 4.350 -0.003 0.000 0.267 410 E C -1.114 175.546 176.600 0.100 0.000 0.884 410 E CA -0.739 55.748 56.400 0.146 0.000 0.764 410 E CB 2.112 31.887 29.700 0.125 0.000 1.169 410 E HN 0.594 nan 8.360 nan 0.000 0.413 411 S N 0.690 116.417 115.700 0.045 0.000 2.596 411 S HA 0.747 5.215 4.470 -0.003 0.000 0.270 411 S C -0.903 173.598 174.600 -0.164 0.000 1.155 411 S CA -1.011 57.147 58.200 -0.070 0.000 0.827 411 S CB 1.624 64.775 63.200 -0.081 0.000 1.130 411 S HN 0.459 nan 8.310 nan 0.000 0.467 412 S N -0.031 115.456 115.700 -0.355 0.000 2.564 412 S HA 0.822 5.290 4.470 -0.003 0.000 0.274 412 S C -1.866 172.377 174.600 -0.596 0.000 1.124 412 S CA -0.779 57.154 58.200 -0.444 0.000 0.869 412 S CB 0.759 63.559 63.200 -0.666 0.000 1.105 412 S HN 0.742 nan 8.310 nan 0.000 0.472 413 Y N -0.616 119.577 120.300 -0.177 0.000 2.524 413 Y HA 0.515 5.063 4.550 -0.003 0.000 0.344 413 Y C 0.315 176.134 175.900 -0.136 0.000 1.012 413 Y CA -1.122 56.917 58.100 -0.103 0.000 1.068 413 Y CB 1.280 39.723 38.460 -0.028 0.000 1.249 413 Y HN 0.875 nan 8.280 nan 0.000 0.468 414 C N 1.526 120.864 119.300 0.064 0.000 2.633 414 C HA 0.182 4.640 4.460 -0.003 0.000 0.415 414 C C 0.505 175.522 174.990 0.045 0.000 1.393 414 C CA -0.436 58.593 59.018 0.018 0.000 1.700 414 C CB -1.265 26.488 27.740 0.020 0.000 2.541 414 C HN 0.817 nan 8.230 nan 0.000 0.603 415 C N 7.724 127.026 119.300 0.004 0.000 2.978 415 C HA 0.355 4.813 4.460 -0.003 0.000 0.274 415 C C -1.032 173.953 174.990 -0.009 0.000 1.087 415 C CA -1.127 57.898 59.018 0.010 0.000 1.453 415 C CB -0.494 27.251 27.740 0.009 0.000 1.838 415 C HN 0.827 nan 8.230 nan 0.000 0.470 416 P HA -0.019 nan 4.420 nan 0.000 0.213 416 P C 0.657 177.956 177.300 -0.002 0.000 1.170 416 P CA 1.449 64.546 63.100 -0.004 0.000 0.893 416 P CB -0.021 31.680 31.700 0.001 0.000 0.784 417 T N -3.265 111.295 114.554 0.010 0.000 2.934 417 T HA 0.303 4.652 4.350 -0.003 0.000 0.283 417 T C 0.970 175.694 174.700 0.041 0.000 1.005 417 T CA -0.700 61.410 62.100 0.017 0.000 1.041 417 T CB 1.670 70.547 68.868 0.015 0.000 1.042 417 T HN -0.025 nan 8.240 nan 0.000 0.505 418 E N 0.539 120.766 120.200 0.045 0.000 2.085 418 E HA -0.177 4.171 4.350 -0.003 0.000 0.194 418 E C 1.452 178.101 176.600 0.081 0.000 0.994 418 E CA 1.586 58.037 56.400 0.085 0.000 0.801 418 E CB -0.138 29.600 29.700 0.063 0.000 0.743 418 E HN 0.707 nan 8.360 nan 0.000 0.453 419 D N 0.778 121.202 120.400 0.039 0.000 2.149 419 D HA -0.196 4.442 4.640 -0.003 0.000 0.194 419 D C 1.479 177.788 176.300 0.016 0.000 1.001 419 D CA 1.270 55.280 54.000 0.017 0.000 0.849 419 D CB -0.262 40.542 40.800 0.006 0.000 0.939 419 D HN 0.155 nan 8.370 nan 0.000 0.449 420 D N -0.828 119.592 120.400 0.034 0.000 2.097 420 D HA -0.156 4.482 4.640 -0.003 0.000 0.197 420 D C 1.953 178.292 176.300 0.065 0.000 0.984 420 D CA 0.638 54.656 54.000 0.028 0.000 0.826 420 D CB -0.445 40.373 40.800 0.030 0.000 0.973 420 D HN 0.213 nan 8.370 nan 0.000 0.460 421 Y N 2.223 122.496 120.300 -0.044 0.000 2.193 421 Y HA -0.208 4.341 4.550 -0.003 0.000 0.285 421 Y C 2.021 177.871 175.900 -0.084 0.000 1.166 421 Y CA 1.475 59.546 58.100 -0.049 0.000 1.181 421 Y CB -0.249 38.192 38.460 -0.032 0.000 0.976 421 Y HN 0.047 nan 8.280 nan 0.000 0.520 422 E N -0.693 119.435 120.200 -0.121 0.000 2.072 422 E HA -0.224 4.124 4.350 -0.003 0.000 0.191 422 E C 2.127 178.622 176.600 -0.175 0.000 0.985 422 E CA 1.592 57.860 56.400 -0.219 0.000 0.801 422 E CB -0.329 29.300 29.700 -0.119 0.000 0.750 422 E HN 0.632 nan 8.360 nan 0.000 0.452 423 M N 0.302 119.842 119.600 -0.100 0.000 2.229 423 M HA -0.056 4.422 4.480 -0.003 0.000 0.264 423 M C 1.819 178.068 176.300 -0.085 0.000 1.063 423 M CA 1.540 56.791 55.300 -0.081 0.000 1.114 423 M CB -0.329 32.236 32.600 -0.057 0.000 1.387 423 M HN -0.008 nan 8.290 nan 0.000 0.420 424 I N 0.446 120.959 120.570 -0.096 0.000 2.163 424 I HA -0.337 3.832 4.170 -0.003 0.000 0.243 424 I C 2.610 178.710 176.117 -0.028 0.000 1.085 424 I CA 1.821 63.086 61.300 -0.058 0.000 1.347 424 I CB -0.491 37.506 38.000 -0.005 0.000 1.044 424 I HN 0.511 nan 8.210 nan 0.000 0.408 425 Q N -0.109 119.529 119.800 -0.270 0.000 2.084 425 Q HA -0.266 4.072 4.340 -0.003 0.000 0.202 425 Q C 1.855 177.790 176.000 -0.109 0.000 0.978 425 Q CA 1.916 57.466 55.803 -0.422 0.000 0.844 425 Q CB -0.220 28.093 28.738 -0.707 0.000 0.898 425 Q HN 0.457 nan 8.270 nan 0.000 0.426 426 D N 0.677 121.016 120.400 -0.102 0.000 2.084 426 D HA -0.165 4.473 4.640 -0.003 0.000 0.194 426 D C 1.634 177.945 176.300 0.017 0.000 0.990 426 D CA 1.300 55.279 54.000 -0.036 0.000 0.826 426 D CB 0.194 40.964 40.800 -0.051 0.000 0.971 426 D HN -0.057 nan 8.370 nan 0.000 0.453 427 K N -0.808 119.604 120.400 0.021 0.000 2.262 427 K HA -0.048 4.270 4.320 -0.003 0.000 0.200 427 K C 0.516 177.156 176.600 0.067 0.000 1.049 427 K CA -0.202 56.099 56.287 0.024 0.000 0.979 427 K CB -0.354 32.140 32.500 -0.010 0.000 0.773 427 K HN 0.312 nan 8.250 nan 0.000 0.474 428 Y N 0.817 121.145 120.300 0.047 0.000 2.550 428 Y HA 0.165 4.713 4.550 -0.003 0.000 0.343 428 Y C 1.421 177.385 175.900 0.106 0.000 1.245 428 Y CA 1.575 59.741 58.100 0.109 0.000 1.462 428 Y CB 0.619 39.214 38.460 0.225 0.000 1.340 428 Y HN 0.431 nan 8.280 nan 0.000 0.604 429 G N 1.984 110.230 108.800 -0.924 0.000 2.313 429 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.215 429 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.215 429 G C 0.021 174.758 174.900 -0.273 0.000 1.023 429 G CA 0.107 44.872 45.100 -0.559 0.000 0.626 429 G HN 1.147 nan 8.290 nan 0.000 0.503 430 S N -0.672 114.927 115.700 -0.168 0.000 2.482 430 S HA 0.596 5.064 4.470 -0.003 0.000 0.303 430 S C 0.881 175.465 174.600 -0.027 0.000 1.091 430 S CA 0.452 58.614 58.200 -0.064 0.000 1.057 430 S CB 1.454 64.642 63.200 -0.019 0.000 1.031 430 S HN 0.418 nan 8.310 nan 0.000 0.485 431 H N 3.620 122.648 119.070 -0.069 0.000 2.491 431 H HA 0.051 4.606 4.556 -0.003 0.000 0.290 431 H C 1.363 176.682 175.328 -0.015 0.000 1.050 431 H CA 1.317 57.341 56.048 -0.039 0.000 1.309 431 H CB 0.246 30.002 29.762 -0.011 0.000 1.392 431 H HN 0.668 nan 8.280 nan 0.000 0.554 432 K N -0.319 120.059 120.400 -0.037 0.000 2.063 432 K HA -0.105 4.213 4.320 -0.003 0.000 0.208 432 K C 2.128 178.665 176.600 -0.105 0.000 1.048 432 K CA 2.034 58.278 56.287 -0.071 0.000 0.928 432 K CB 0.081 32.582 32.500 0.003 0.000 0.713 432 K HN 0.404 nan 8.250 nan 0.000 0.442 433 T N -1.790 112.717 114.554 -0.078 0.000 3.015 433 T HA 0.001 4.350 4.350 -0.003 0.000 0.250 433 T C 1.592 176.250 174.700 -0.069 0.000 1.057 433 T CA 0.193 62.255 62.100 -0.064 0.000 1.066 433 T CB 0.050 68.898 68.868 -0.033 0.000 0.959 433 T HN 0.347 nan 8.240 nan 0.000 0.488 434 E N 1.620 121.771 120.200 -0.082 0.000 2.396 434 E HA -0.149 4.199 4.350 -0.003 0.000 0.200 434 E C 1.456 178.038 176.600 -0.031 0.000 1.023 434 E CA 1.325 57.695 56.400 -0.050 0.000 0.857 434 E CB -0.939 28.730 29.700 -0.051 0.000 0.775 434 E HN 0.429 nan 8.360 nan 0.000 0.525 435 T N 0.915 115.427 114.554 -0.069 0.000 2.833 435 T HA -0.054 4.294 4.350 -0.003 0.000 0.269 435 T C 1.951 176.630 174.700 -0.034 0.000 1.054 435 T CA 1.158 63.227 62.100 -0.052 0.000 1.135 435 T CB -0.173 68.644 68.868 -0.085 0.000 0.869 435 T HN 0.440 nan 8.240 nan 0.000 0.466 436 A N 1.380 124.174 122.820 -0.043 0.000 2.070 436 A HA 0.062 4.381 4.320 -0.003 0.000 0.220 436 A C 2.163 179.712 177.584 -0.060 0.000 1.159 436 A CA 0.872 52.883 52.037 -0.044 0.000 0.656 436 A CB -0.820 18.153 19.000 -0.045 0.000 0.800 436 A HN 0.520 nan 8.150 nan 0.000 0.453 437 L N -0.495 120.686 121.223 -0.071 0.000 2.353 437 L HA -0.202 4.137 4.340 -0.003 0.000 0.220 437 L C 1.844 178.677 176.870 -0.060 0.000 1.133 437 L CA 1.239 55.987 54.840 -0.152 0.000 0.798 437 L CB -0.749 41.212 42.059 -0.163 0.000 0.922 437 L HN 0.505 nan 8.230 nan 0.000 0.445 438 N N 0.297 119.001 118.700 0.007 0.000 2.443 438 N HA -0.135 4.603 4.740 -0.003 0.000 0.184 438 N C 1.913 177.437 175.510 0.024 0.000 1.037 438 N CA 0.733 53.808 53.050 0.041 0.000 0.896 438 N CB -0.102 38.405 38.487 0.032 0.000 0.959 438 N HN 0.345 nan 8.380 nan 0.000 0.442 439 A N 0.755 123.570 122.820 -0.008 0.000 2.067 439 A HA 0.002 4.321 4.320 -0.003 0.000 0.219 439 A C 0.895 178.480 177.584 0.001 0.000 1.158 439 A CA 0.817 52.849 52.037 -0.009 0.000 0.661 439 A CB -0.161 18.825 19.000 -0.024 0.000 0.801 439 A HN 0.145 nan 8.150 nan 0.000 0.452 440 L N -1.349 119.872 121.223 -0.002 0.000 2.334 440 L HA 0.526 4.864 4.340 -0.003 0.000 0.270 440 L C 0.602 177.563 176.870 0.152 0.000 1.018 440 L CA -0.700 54.168 54.840 0.046 0.000 0.811 440 L CB 1.393 43.444 42.059 -0.013 0.000 1.271 440 L HN 0.120 nan 8.230 nan 0.000 0.443 441 K N 2.116 122.607 120.400 0.152 0.000 2.316 441 K HA 0.434 4.752 4.320 -0.003 0.000 0.289 441 K C -0.796 175.906 176.600 0.170 0.000 1.070 441 K CA -0.420 55.947 56.287 0.133 0.000 0.928 441 K CB 0.680 33.218 32.500 0.063 0.000 1.039 441 K HN 0.474 nan 8.250 nan 0.000 0.480 442 L N 3.061 124.357 121.223 0.121 0.000 2.326 442 L HA 0.431 4.769 4.340 -0.003 0.000 0.278 442 L C -0.161 176.623 176.870 -0.143 0.000 1.092 442 L CA -0.382 54.379 54.840 -0.132 0.000 0.810 442 L CB 1.725 43.724 42.059 -0.101 0.000 1.153 442 L HN 0.436 nan 8.230 nan 0.000 0.439 443 V N 5.376 125.153 119.914 -0.229 0.000 2.455 443 V HA 0.403 4.521 4.120 -0.003 0.000 0.273 443 V C 0.557 176.587 176.094 -0.106 0.000 1.045 443 V CA -0.182 62.034 62.300 -0.140 0.000 0.976 443 V CB 0.430 32.162 31.823 -0.152 0.000 0.993 443 V HN 0.999 nan 8.190 nan 0.000 0.475 444 T N 2.475 116.994 114.554 -0.057 0.000 2.841 444 T HA 0.233 4.581 4.350 -0.003 0.000 0.276 444 T C 0.884 175.573 174.700 -0.018 0.000 1.003 444 T CA -0.317 61.763 62.100 -0.034 0.000 0.995 444 T CB 1.543 70.400 68.868 -0.019 0.000 1.260 444 T HN 0.694 nan 8.240 nan 0.000 0.581 445 D N 0.038 120.433 120.400 -0.008 0.000 2.144 445 D HA -0.075 4.563 4.640 -0.003 0.000 0.200 445 D C 1.767 178.065 176.300 -0.002 0.000 0.978 445 D CA 1.372 55.370 54.000 -0.003 0.000 0.833 445 D CB 0.208 41.008 40.800 0.000 0.000 0.961 445 D HN 0.627 nan 8.370 nan 0.000 0.470 446 E N -0.314 119.884 120.200 -0.003 0.000 2.076 446 E HA -0.105 4.243 4.350 -0.003 0.000 0.190 446 E C 1.524 178.123 176.600 -0.003 0.000 0.979 446 E CA 1.078 57.478 56.400 -0.001 0.000 0.807 446 E CB -0.281 29.419 29.700 0.001 0.000 0.761 446 E HN 0.338 nan 8.360 nan 0.000 0.454 447 N N 0.542 119.238 118.700 -0.006 0.000 2.299 447 N HA -0.015 4.723 4.740 -0.003 0.000 0.187 447 N C 1.491 176.996 175.510 -0.009 0.000 1.099 447 N CA 1.019 54.065 53.050 -0.006 0.000 0.867 447 N CB -0.342 38.141 38.487 -0.007 0.000 0.974 447 N HN 0.084 nan 8.380 nan 0.000 0.477 448 K N 0.785 121.179 120.400 -0.010 0.000 2.360 448 K HA -0.039 4.279 4.320 -0.003 0.000 0.201 448 K C 1.530 178.130 176.600 0.000 0.000 1.046 448 K CA 1.358 57.641 56.287 -0.007 0.000 0.940 448 K CB -0.601 31.898 32.500 -0.002 0.000 0.748 448 K HN 0.303 nan 8.250 nan 0.000 0.465 449 E N 0.020 120.220 120.200 -0.000 0.000 2.489 449 E HA 0.095 4.443 4.350 -0.003 0.000 0.204 449 E C -0.365 176.235 176.600 0.000 0.000 1.006 449 E CA -0.067 56.333 56.400 0.001 0.000 0.936 449 E CB 0.475 30.175 29.700 0.001 0.000 1.002 449 E HN 0.752 nan 8.360 nan 0.000 0.488 450 E N 1.240 121.439 120.200 -0.001 0.000 2.383 450 E HA -0.016 4.332 4.350 -0.003 0.000 0.264 450 E C 0.918 177.518 176.600 -0.000 0.000 1.050 450 E CA -0.082 56.317 56.400 -0.001 0.000 0.896 450 E CB 1.062 30.761 29.700 -0.001 0.000 0.982 450 E HN 0.024 nan 8.360 nan 0.000 0.424 451 E N 1.857 122.057 120.200 -0.000 0.000 2.037 451 E HA -0.290 4.059 4.350 -0.003 0.000 0.214 451 E C 1.641 178.241 176.600 0.000 0.000 1.041 451 E CA 2.567 58.967 56.400 0.000 0.000 0.872 451 E CB -0.191 29.509 29.700 0.000 0.000 0.785 451 E HN 0.478 nan 8.360 nan 0.000 0.476 452 S N -1.112 114.588 115.700 -0.000 0.000 2.595 452 S HA -0.020 4.448 4.470 -0.003 0.000 0.235 452 S C 1.800 176.399 174.600 -0.002 0.000 0.974 452 S CA 0.897 59.097 58.200 -0.000 0.000 0.942 452 S CB -0.274 62.926 63.200 0.001 0.000 0.766 452 S HN 0.400 nan 8.310 nan 0.000 0.536 453 I N 0.076 120.644 120.570 -0.004 0.000 3.136 453 I HA 0.166 4.335 4.170 -0.003 0.000 0.262 453 I C 2.469 178.580 176.117 -0.009 0.000 1.132 453 I CA 0.071 61.366 61.300 -0.009 0.000 1.450 453 I CB -0.109 37.884 38.000 -0.012 0.000 1.315 453 I HN 0.148 nan 8.210 nan 0.000 0.460 454 K N 1.039 121.438 120.400 -0.002 0.000 2.127 454 K HA -0.254 4.064 4.320 -0.003 0.000 0.208 454 K C 1.289 177.895 176.600 0.010 0.000 1.047 454 K CA 1.997 58.288 56.287 0.006 0.000 0.927 454 K CB 0.003 32.508 32.500 0.008 0.000 0.716 454 K HN 0.265 nan 8.250 nan 0.000 0.450 455 D N -0.022 120.382 120.400 0.005 0.000 2.249 455 D HA 0.021 4.660 4.640 -0.003 0.000 0.205 455 D C 0.237 176.539 176.300 0.003 0.000 0.962 455 D CA 0.381 54.385 54.000 0.006 0.000 0.860 455 D CB 0.011 40.814 40.800 0.004 0.000 0.955 455 D HN 0.238 nan 8.370 nan 0.000 0.505 456 A N 2.052 124.870 122.820 -0.004 0.000 2.477 456 A HA 0.305 4.623 4.320 -0.003 0.000 0.246 456 A C -2.183 175.391 177.584 -0.017 0.000 1.078 456 A CA -0.857 51.173 52.037 -0.010 0.000 0.770 456 A CB -0.143 18.849 19.000 -0.013 0.000 1.011 456 A HN -0.088 nan 8.150 nan 0.000 0.494 457 P HA 0.133 nan 4.420 nan 0.000 0.264 457 P C -0.421 176.843 177.300 -0.060 0.000 1.183 457 P CA 0.564 63.647 63.100 -0.028 0.000 0.763 457 P CB 0.380 32.061 31.700 -0.031 0.000 0.807 458 K N 1.452 121.796 120.400 -0.093 0.000 2.340 458 K HA 0.817 5.136 4.320 -0.003 0.000 0.244 458 K C -0.942 175.511 176.600 -0.245 0.000 0.973 458 K CA -1.028 55.123 56.287 -0.227 0.000 0.828 458 K CB 2.379 34.599 32.500 -0.467 0.000 1.226 458 K HN 0.358 nan 8.250 nan 0.000 0.437 459 A N 1.766 124.435 122.820 -0.250 0.000 2.331 459 A HA 0.611 4.929 4.320 -0.003 0.000 0.320 459 A C -1.612 175.854 177.584 -0.195 0.000 1.138 459 A CA -0.520 51.443 52.037 -0.123 0.000 0.790 459 A CB 0.354 19.398 19.000 0.073 0.000 1.206 459 A HN 0.600 nan 8.150 nan 0.000 0.470 460 Y N 1.636 121.893 120.300 -0.072 0.000 2.420 460 Y HA 0.633 5.181 4.550 -0.003 0.000 0.334 460 Y C 0.087 175.846 175.900 -0.236 0.000 1.094 460 Y CA -0.784 57.114 58.100 -0.337 0.000 1.126 460 Y CB 1.692 39.610 38.460 -0.903 0.000 1.217 460 Y HN 0.411 nan 8.280 nan 0.000 0.462 461 L N 1.971 123.147 121.223 -0.078 0.000 2.386 461 L HA 0.558 4.897 4.340 -0.003 0.000 0.271 461 L C -0.820 176.086 176.870 0.061 0.000 0.993 461 L CA -0.571 54.220 54.840 -0.081 0.000 0.819 461 L CB 2.001 43.903 42.059 -0.263 0.000 1.294 461 L HN 0.585 nan 8.230 nan 0.000 0.414 462 S N 0.932 116.679 115.700 0.079 0.000 2.733 462 S HA 0.561 5.030 4.470 -0.003 0.000 0.294 462 S C -0.409 174.187 174.600 -0.008 0.000 1.149 462 S CA -0.388 57.877 58.200 0.108 0.000 1.034 462 S CB 1.971 65.260 63.200 0.147 0.000 1.015 462 S HN 0.569 nan 8.310 nan 0.000 0.486 463 T N 4.235 118.830 114.554 0.069 0.000 2.807 463 T HA 0.576 4.925 4.350 -0.003 0.000 0.279 463 T C -0.407 174.341 174.700 0.079 0.000 0.993 463 T CA -0.482 61.629 62.100 0.018 0.000 0.970 463 T CB 0.902 69.802 68.868 0.053 0.000 0.950 463 T HN 0.392 nan 8.240 nan 0.000 0.441 464 M N 2.622 122.194 119.600 -0.046 0.000 2.578 464 M HA 0.546 5.024 4.480 -0.003 0.000 0.321 464 M C -1.337 174.872 176.300 -0.153 0.000 1.182 464 M CA -0.634 54.665 55.300 -0.001 0.000 0.965 464 M CB 1.530 34.104 32.600 -0.044 0.000 1.694 464 M HN 0.508 nan 8.290 nan 0.000 0.461 465 Y N 1.968 122.347 120.300 0.132 0.000 2.341 465 Y HA 0.628 5.176 4.550 -0.003 0.000 0.338 465 Y C -0.602 175.413 175.900 0.193 0.000 0.965 465 Y CA -0.630 57.598 58.100 0.214 0.000 1.108 465 Y CB 1.045 39.734 38.460 0.383 0.000 1.180 465 Y HN 0.480 nan 8.280 nan 0.000 0.458 466 I N 3.192 123.930 120.570 0.280 0.000 2.330 466 I HA 0.419 4.587 4.170 -0.003 0.000 0.289 466 I C 0.655 176.865 176.117 0.155 0.000 1.001 466 I CA -0.627 60.795 61.300 0.204 0.000 1.193 466 I CB 1.366 39.391 38.000 0.041 0.000 1.345 466 I HN 0.793 nan 8.210 nan 0.000 0.461 467 G N 7.262 116.067 108.800 0.008 0.000 2.370 467 G HA2 0.581 4.540 3.960 -0.003 0.000 0.272 467 G HA3 0.581 4.540 3.960 -0.003 0.000 0.272 467 G C -0.549 173.871 174.900 -0.799 0.000 1.208 467 G CA -0.356 44.315 45.100 -0.717 0.000 0.856 467 G HN 0.444 nan 8.290 nan 0.000 0.500 468 L N 1.717 122.538 121.223 -0.670 0.000 2.334 468 L HA 0.590 4.929 4.340 -0.003 0.000 0.273 468 L C -0.692 175.900 176.870 -0.463 0.000 1.013 468 L CA -0.981 53.541 54.840 -0.530 0.000 0.816 468 L CB 2.355 44.217 42.059 -0.330 0.000 1.278 468 L HN 0.392 nan 8.230 nan 0.000 0.431 469 D N 0.775 120.848 120.400 -0.546 0.000 2.857 469 D HA 0.532 5.171 4.640 -0.003 0.000 0.227 469 D C -1.595 174.438 176.300 -0.444 0.000 1.192 469 D CA -0.217 53.652 54.000 -0.218 0.000 0.857 469 D CB 1.904 42.717 40.800 0.022 0.000 1.645 469 D HN 0.102 nan 8.370 nan 0.000 0.482 470 F N 1.192 121.204 119.950 0.103 0.000 2.532 470 F HA 0.390 4.916 4.527 -0.003 0.000 0.321 470 F C 0.668 176.493 175.800 0.043 0.000 1.089 470 F CA -1.048 56.977 58.000 0.042 0.000 0.926 470 F CB 1.482 40.482 39.000 -0.000 0.000 1.168 470 F HN 0.061 nan 8.300 nan 0.000 0.459 471 N N 4.101 122.928 118.700 0.211 0.000 2.402 471 N HA 0.129 4.867 4.740 -0.003 0.000 0.259 471 N C 0.185 175.772 175.510 0.129 0.000 1.167 471 N CA -0.011 53.121 53.050 0.135 0.000 0.949 471 N CB 0.670 39.211 38.487 0.089 0.000 1.212 471 N HN 0.667 nan 8.380 nan 0.000 0.493 472 I N -0.406 120.230 120.570 0.110 0.000 2.528 472 I HA 0.070 4.238 4.170 -0.003 0.000 0.276 472 I C 0.177 176.315 176.117 0.034 0.000 1.056 472 I CA -0.496 60.843 61.300 0.064 0.000 1.858 472 I CB -0.696 37.343 38.000 0.064 0.000 1.448 472 I HN 0.345 nan 8.210 nan 0.000 0.776 473 E N 1.527 121.746 120.200 0.030 0.000 3.439 473 E HA -0.409 3.940 4.350 -0.003 0.000 0.385 473 E C 0.803 177.411 176.600 0.013 0.000 1.557 473 E CA 1.994 58.403 56.400 0.015 0.000 1.684 473 E CB -1.199 28.498 29.700 -0.005 0.000 1.677 473 E HN 0.745 nan 8.360 nan 0.000 0.455 474 N N 0.965 119.667 118.700 0.004 0.000 2.625 474 N HA 0.568 5.306 4.740 -0.003 0.000 0.276 474 N C 0.508 176.019 175.510 0.002 0.000 1.326 474 N CA 0.420 53.474 53.050 0.005 0.000 0.816 474 N CB -0.799 37.690 38.487 0.003 0.000 1.213 474 N HN 0.757 nan 8.380 nan 0.000 0.393 475 K N -0.669 119.730 120.400 -0.001 0.000 2.229 475 K HA 0.538 4.857 4.320 -0.003 0.000 0.250 475 K C 0.927 177.520 176.600 -0.012 0.000 1.016 475 K CA 0.525 56.810 56.287 -0.003 0.000 0.866 475 K CB -1.386 31.112 32.500 -0.003 0.000 1.028 475 K HN 1.370 nan 8.250 nan 0.000 0.514 476 K N 1.986 122.379 120.400 -0.012 0.000 2.361 476 K HA 0.300 4.618 4.320 -0.003 0.000 0.283 476 K C -0.121 176.455 176.600 -0.040 0.000 1.078 476 K CA 0.886 57.158 56.287 -0.024 0.000 1.041 476 K CB -0.582 31.911 32.500 -0.012 0.000 0.932 476 K HN 0.737 nan 8.250 nan 0.000 0.462 477 E N 1.144 121.307 120.200 -0.063 0.000 2.336 477 E HA 0.391 4.740 4.350 -0.003 0.000 0.267 477 E C -0.951 175.581 176.600 -0.112 0.000 0.906 477 E CA -0.799 55.559 56.400 -0.070 0.000 0.781 477 E CB 1.454 31.120 29.700 -0.056 0.000 1.261 477 E HN 0.529 nan 8.360 nan 0.000 0.436 478 K N 0.659 120.997 120.400 -0.103 0.000 2.350 478 K HA 0.299 4.617 4.320 -0.003 0.000 0.279 478 K C -1.059 175.449 176.600 -0.153 0.000 1.027 478 K CA -0.197 56.009 56.287 -0.135 0.000 0.969 478 K CB 1.116 33.559 32.500 -0.095 0.000 0.954 478 K HN 0.133 nan 8.250 nan 0.000 0.474 479 V N 3.687 123.464 119.914 -0.229 0.000 2.384 479 V HA 0.109 4.227 4.120 -0.003 0.000 0.287 479 V C -1.124 174.870 176.094 -0.167 0.000 1.020 479 V CA -0.601 61.579 62.300 -0.201 0.000 0.850 479 V CB 1.592 33.254 31.823 -0.270 0.000 0.987 479 V HN 0.712 nan 8.190 nan 0.000 0.436 480 D N 5.792 126.143 120.400 -0.081 0.000 2.412 480 D HA 0.299 4.937 4.640 -0.003 0.000 0.224 480 D C 0.377 176.666 176.300 -0.020 0.000 1.093 480 D CA -0.356 53.626 54.000 -0.030 0.000 0.850 480 D CB 1.010 41.827 40.800 0.029 0.000 1.046 480 D HN 0.573 nan 8.370 nan 0.000 0.507 481 I N 1.475 122.031 120.570 -0.024 0.000 3.637 481 I HA 0.325 4.493 4.170 -0.003 0.000 0.342 481 I C 0.909 177.032 176.117 0.009 0.000 1.545 481 I CA -0.611 60.677 61.300 -0.020 0.000 1.126 481 I CB 0.041 38.033 38.000 -0.013 0.000 1.375 481 I HN 0.251 nan 8.210 nan 0.000 0.467 482 H N 0.524 119.586 119.070 -0.013 0.000 2.372 482 H HA 0.073 4.628 4.556 -0.003 0.000 0.301 482 H C 1.705 177.051 175.328 0.030 0.000 1.065 482 H CA 1.434 57.486 56.048 0.007 0.000 1.364 482 H CB -0.218 29.545 29.762 0.002 0.000 1.406 482 H HN 0.323 nan 8.280 nan 0.000 0.521 483 I N 1.845 122.049 120.570 -0.610 0.000 2.127 483 I HA -0.159 4.009 4.170 -0.003 0.000 0.241 483 I C -0.426 175.640 176.117 -0.085 0.000 1.075 483 I CA 1.407 62.492 61.300 -0.358 0.000 1.334 483 I CB -1.029 36.763 38.000 -0.347 0.000 1.040 483 I HN 0.350 nan 8.210 nan 0.000 0.405 484 P HA -0.142 nan 4.420 nan 0.000 0.219 484 P C 1.675 179.025 177.300 0.084 0.000 1.146 484 P CA 1.553 64.663 63.100 0.017 0.000 0.808 484 P CB -0.227 31.472 31.700 -0.002 0.000 0.779 485 C N -0.621 118.729 119.300 0.083 0.000 2.475 485 C HA -0.053 4.405 4.460 -0.003 0.000 0.279 485 C C 3.114 178.236 174.990 0.220 0.000 1.322 485 C CA 1.809 60.915 59.018 0.148 0.000 1.734 485 C CB -1.740 26.074 27.740 0.123 0.000 2.005 485 C HN 0.357 nan 8.230 nan 0.000 0.495 486 T N -0.618 114.037 114.554 0.168 0.000 2.896 486 T HA -0.117 4.232 4.350 -0.003 0.000 0.263 486 T C 1.542 176.322 174.700 0.132 0.000 1.050 486 T CA 1.640 63.836 62.100 0.160 0.000 1.140 486 T CB -0.347 68.617 68.868 0.160 0.000 0.877 486 T HN 0.612 nan 8.240 nan 0.000 0.457 487 E N -0.227 120.041 120.200 0.114 0.000 2.085 487 E HA -0.056 4.293 4.350 -0.003 0.000 0.194 487 E C 1.695 178.365 176.600 0.118 0.000 0.994 487 E CA 1.395 57.852 56.400 0.095 0.000 0.801 487 E CB -0.348 29.397 29.700 0.074 0.000 0.743 487 E HN 0.652 nan 8.360 nan 0.000 0.453 488 F N 0.790 120.759 119.950 0.031 0.000 2.095 488 F HA -0.252 4.273 4.527 -0.003 0.000 0.298 488 F C 2.016 177.837 175.800 0.036 0.000 1.104 488 F CA 1.180 59.197 58.000 0.028 0.000 1.232 488 F CB -0.401 38.616 39.000 0.028 0.000 0.987 488 F HN -0.177 nan 8.300 nan 0.000 0.475 489 V N 1.118 121.034 119.914 0.003 0.000 2.287 489 V HA -0.372 3.747 4.120 -0.003 0.000 0.248 489 V C 2.070 178.103 176.094 -0.102 0.000 1.053 489 V CA 2.396 64.651 62.300 -0.075 0.000 1.027 489 V CB -0.955 30.935 31.823 0.112 0.000 0.646 489 V HN 0.359 nan 8.190 nan 0.000 0.447 490 N N -0.149 118.535 118.700 -0.027 0.000 2.348 490 N HA -0.122 4.616 4.740 -0.003 0.000 0.185 490 N C 1.283 176.756 175.510 -0.061 0.000 1.019 490 N CA 0.842 53.885 53.050 -0.011 0.000 0.880 490 N CB -0.365 38.139 38.487 0.029 0.000 0.965 490 N HN 0.290 nan 8.380 nan 0.000 0.437 491 L N -0.205 120.940 121.223 -0.131 0.000 2.492 491 L HA 0.068 4.407 4.340 -0.003 0.000 0.223 491 L C 0.223 176.954 176.870 -0.231 0.000 1.132 491 L CA 0.361 55.109 54.840 -0.154 0.000 0.850 491 L CB -0.277 41.699 42.059 -0.138 0.000 0.966 491 L HN 0.094 nan 8.230 nan 0.000 0.454 492 C N 2.049 121.170 119.300 -0.298 0.000 2.861 492 C HA 0.370 4.829 4.460 -0.003 0.000 0.542 492 C C 0.993 175.956 174.990 -0.044 0.000 1.074 492 C CA -0.636 58.221 59.018 -0.269 0.000 1.232 492 C CB -2.282 25.224 27.740 -0.391 0.000 1.433 492 C HN 0.368 nan 8.230 nan 0.000 0.606 493 R N -0.489 119.959 120.500 -0.087 0.000 2.774 493 R HA 0.780 5.118 4.340 -0.003 0.000 0.272 493 R C -1.301 174.885 176.300 -0.190 0.000 1.000 493 R CA -0.326 55.723 56.100 -0.086 0.000 0.906 493 R CB 1.455 31.630 30.300 -0.208 0.000 1.227 493 R HN 0.202 nan 8.270 nan 0.000 0.468 494 S N 0.620 116.207 115.700 -0.188 0.000 2.548 494 S HA 0.458 4.926 4.470 -0.003 0.000 0.276 494 S C -0.448 173.948 174.600 -0.340 0.000 1.129 494 S CA -0.799 57.251 58.200 -0.250 0.000 0.931 494 S CB 0.987 64.208 63.200 0.034 0.000 1.068 494 S HN 0.578 nan 8.310 nan 0.000 0.480 495 F N 2.495 122.454 119.950 0.014 0.000 2.664 495 F HA 0.151 4.676 4.527 -0.003 0.000 0.296 495 F C 1.529 177.308 175.800 -0.035 0.000 1.125 495 F CA 0.026 58.020 58.000 -0.010 0.000 1.444 495 F CB 0.019 39.019 39.000 -0.001 0.000 1.114 495 F HN 0.559 nan 8.300 nan 0.000 0.576 496 N N -0.214 118.543 118.700 0.095 0.000 2.214 496 N HA 0.129 4.868 4.740 -0.003 0.000 0.214 496 N C -0.824 174.641 175.510 -0.076 0.000 1.132 496 N CA 0.022 53.086 53.050 0.023 0.000 0.856 496 N CB 0.170 38.683 38.487 0.043 0.000 1.020 496 N HN 0.169 nan 8.380 nan 0.000 0.509 497 E N 0.230 120.327 120.200 -0.172 0.000 2.378 497 E HA 0.092 4.440 4.350 -0.003 0.000 0.282 497 E C -1.917 174.280 176.600 -0.671 0.000 0.910 497 E CA -0.551 55.602 56.400 -0.412 0.000 0.816 497 E CB 1.182 30.608 29.700 -0.457 0.000 1.359 497 E HN 0.034 nan 8.360 nan 0.000 0.397 498 D N 1.974 122.063 120.400 -0.517 0.000 2.346 498 D HA 0.000 4.639 4.640 -0.003 0.000 0.260 498 D C -0.616 175.279 176.300 -0.676 0.000 1.252 498 D CA 0.500 54.240 54.000 -0.434 0.000 0.895 498 D CB 0.355 41.024 40.800 -0.218 0.000 1.097 498 D HN 0.472 nan 8.370 nan 0.000 0.489 499 Y N 1.666 121.732 120.300 -0.390 0.000 2.756 499 Y HA 0.295 4.843 4.550 -0.003 0.000 0.300 499 Y C 1.911 177.552 175.900 -0.432 0.000 1.113 499 Y CA -0.655 57.030 58.100 -0.692 0.000 1.291 499 Y CB 1.102 38.852 38.460 -1.184 0.000 1.175 499 Y HN 0.535 nan 8.280 nan 0.000 0.534 500 G N -0.633 108.046 108.800 -0.203 0.000 2.430 500 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.216 500 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.216 500 G C 0.390 175.010 174.900 -0.467 0.000 1.146 500 G CA 0.122 45.046 45.100 -0.293 0.000 0.793 500 G HN 0.207 nan 8.290 nan 0.000 0.537 501 D N 0.515 120.794 120.400 -0.203 0.000 2.357 501 D HA 0.027 4.665 4.640 -0.003 0.000 0.265 501 D C 0.898 177.106 176.300 -0.153 0.000 1.334 501 D CA -0.212 53.703 54.000 -0.140 0.000 0.984 501 D CB -0.033 40.735 40.800 -0.053 0.000 1.077 501 D HN 0.288 nan 8.370 nan 0.000 0.514 502 H N 2.877 121.991 119.070 0.072 0.000 2.547 502 H HA -0.023 4.531 4.556 -0.003 0.000 0.272 502 H C 1.834 177.238 175.328 0.127 0.000 0.989 502 H CA 0.931 57.038 56.048 0.098 0.000 1.214 502 H CB 0.181 29.991 29.762 0.079 0.000 1.389 502 H HN 0.494 nan 8.280 nan 0.000 0.577 503 K N 1.266 121.756 120.400 0.150 0.000 2.574 503 K HA 0.097 4.415 4.320 -0.003 0.000 0.193 503 K C 1.866 178.465 176.600 -0.002 0.000 1.035 503 K CA 0.966 57.318 56.287 0.109 0.000 0.982 503 K CB -0.377 32.146 32.500 0.038 0.000 0.795 503 K HN 0.167 nan 8.250 nan 0.000 0.491 504 V N -1.805 118.060 119.914 -0.083 0.000 3.449 504 V HA 0.346 4.464 4.120 -0.003 0.000 0.208 504 V C 0.092 175.989 176.094 -0.328 0.000 1.269 504 V CA -0.318 61.740 62.300 -0.402 0.000 1.301 504 V CB 0.175 31.565 31.823 -0.721 0.000 1.306 504 V HN 0.427 nan 8.190 nan 0.000 0.531 505 F N 1.953 121.900 119.950 -0.005 0.000 2.404 505 F HA 0.594 5.119 4.527 -0.003 0.000 0.339 505 F C 0.318 176.214 175.800 0.160 0.000 1.105 505 F CA -0.278 57.642 58.000 -0.132 0.000 1.087 505 F CB 0.779 39.297 39.000 -0.803 0.000 1.143 505 F HN 0.104 nan 8.300 nan 0.000 0.491 506 N N 2.265 121.350 118.700 0.640 0.000 2.396 506 N HA 0.562 5.300 4.740 -0.003 0.000 0.275 506 N C -2.083 173.961 175.510 0.890 0.000 1.218 506 N CA -0.611 52.832 53.050 0.654 0.000 0.812 506 N CB 2.958 41.668 38.487 0.371 0.000 1.592 506 N HN 0.457 nan 8.380 nan 0.000 0.480 507 L N 1.070 122.694 121.223 0.668 0.000 2.408 507 L HA 0.887 5.225 4.340 -0.003 0.000 0.268 507 L C -1.374 175.743 176.870 0.411 0.000 0.986 507 L CA -0.452 54.709 54.840 0.536 0.000 0.820 507 L CB 1.653 43.985 42.059 0.455 0.000 1.303 507 L HN 0.703 nan 8.230 nan 0.000 0.411 508 A N 4.428 127.485 122.820 0.396 0.000 2.498 508 A HA 0.902 5.220 4.320 -0.003 0.000 0.298 508 A C -2.028 175.700 177.584 0.240 0.000 1.075 508 A CA -0.479 51.754 52.037 0.327 0.000 0.714 508 A CB 1.564 20.823 19.000 0.431 0.000 1.299 508 A HN 0.584 nan 8.150 nan 0.000 0.407 509 L N 1.107 122.449 121.223 0.197 0.000 2.386 509 L HA 0.692 5.030 4.340 -0.003 0.000 0.271 509 L C 0.109 177.067 176.870 0.146 0.000 0.993 509 L CA -0.066 54.863 54.840 0.147 0.000 0.819 509 L CB 2.123 44.263 42.059 0.135 0.000 1.294 509 L HN 0.804 nan 8.230 nan 0.000 0.414 510 R N 1.729 122.307 120.500 0.130 0.000 2.686 510 R HA 0.500 4.839 4.340 -0.003 0.000 0.286 510 R C -1.563 174.856 176.300 0.198 0.000 0.969 510 R CA -0.761 55.428 56.100 0.148 0.000 0.898 510 R CB 2.564 32.929 30.300 0.107 0.000 1.183 510 R HN 0.389 nan 8.270 nan 0.000 0.456 511 F N 3.228 123.225 119.950 0.080 0.000 2.385 511 F HA 0.417 4.942 4.527 -0.003 0.000 0.360 511 F C -0.796 175.074 175.800 0.117 0.000 1.122 511 F CA -0.601 57.461 58.000 0.103 0.000 1.090 511 F CB 1.105 40.152 39.000 0.079 0.000 1.150 511 F HN 0.144 nan 8.300 nan 0.000 0.472 512 V N 7.474 127.164 119.914 -0.374 0.000 2.588 512 V HA 0.433 4.551 4.120 -0.003 0.000 0.304 512 V C -0.729 175.160 176.094 -0.342 0.000 1.042 512 V CA -0.827 61.327 62.300 -0.244 0.000 0.877 512 V CB 1.710 33.487 31.823 -0.075 0.000 0.996 512 V HN 0.724 nan 8.190 nan 0.000 0.425 513 K N 4.241 124.439 120.400 -0.337 0.000 2.237 513 K HA 0.321 4.639 4.320 -0.003 0.000 0.270 513 K C 1.414 177.772 176.600 -0.403 0.000 1.015 513 K CA 0.385 56.423 56.287 -0.414 0.000 0.949 513 K CB 1.084 33.191 32.500 -0.655 0.000 0.976 513 K HN 0.922 nan 8.250 nan 0.000 0.472 514 G N 2.500 111.147 108.800 -0.255 0.000 2.732 514 G HA2 -0.353 3.605 3.960 -0.003 0.000 0.222 514 G HA3 -0.353 3.605 3.960 -0.003 0.000 0.222 514 G C 1.325 176.125 174.900 -0.167 0.000 1.203 514 G CA 1.745 46.788 45.100 -0.095 0.000 0.780 514 G HN 0.885 nan 8.290 nan 0.000 0.621 515 Y N -0.379 119.876 120.300 -0.076 0.000 2.465 515 Y HA 0.059 4.607 4.550 -0.003 0.000 0.289 515 Y C 1.812 177.667 175.900 -0.076 0.000 1.150 515 Y CA 1.230 59.266 58.100 -0.106 0.000 1.293 515 Y CB -0.406 38.004 38.460 -0.083 0.000 0.977 515 Y HN 0.275 nan 8.280 nan 0.000 0.556 516 D N 0.250 120.583 120.400 -0.113 0.000 2.368 516 D HA 0.179 4.817 4.640 -0.003 0.000 0.218 516 D C -0.120 176.163 176.300 -0.027 0.000 1.112 516 D CA -0.133 53.877 54.000 0.017 0.000 0.834 516 D CB -0.040 40.729 40.800 -0.052 0.000 0.953 516 D HN 0.266 nan 8.370 nan 0.000 0.505 517 L N 1.346 122.516 121.223 -0.088 0.000 2.456 517 L HA 0.248 4.586 4.340 -0.003 0.000 0.272 517 L C -1.856 174.916 176.870 -0.164 0.000 1.189 517 L CA -1.653 53.071 54.840 -0.194 0.000 0.846 517 L CB 0.254 42.062 42.059 -0.419 0.000 1.111 517 L HN -0.051 nan 8.230 nan 0.000 0.475 518 P HA -0.053 nan 4.420 nan 0.000 0.264 518 P C 0.056 177.192 177.300 -0.273 0.000 1.183 518 P CA -0.015 62.954 63.100 -0.218 0.000 0.763 518 P CB 0.473 31.985 31.700 -0.314 0.000 0.807 519 D N 2.754 123.125 120.400 -0.049 0.000 2.170 519 D HA -0.240 4.398 4.640 -0.003 0.000 0.193 519 D C 1.674 177.884 176.300 -0.149 0.000 1.004 519 D CA 1.642 55.649 54.000 0.012 0.000 0.860 519 D CB -0.179 40.671 40.800 0.084 0.000 0.931 519 D HN 0.659 nan 8.370 nan 0.000 0.448 520 E N 0.803 120.874 120.200 -0.214 0.000 2.233 520 E HA -0.203 4.145 4.350 -0.003 0.000 0.199 520 E C 2.096 178.403 176.600 -0.489 0.000 1.004 520 E CA 1.810 58.082 56.400 -0.215 0.000 0.819 520 E CB -0.442 29.204 29.700 -0.089 0.000 0.738 520 E HN 0.353 nan 8.360 nan 0.000 0.478 521 V N -1.647 117.583 119.914 -1.139 0.000 3.129 521 V HA 0.118 4.237 4.120 -0.003 0.000 0.259 521 V C 0.408 175.740 176.094 -1.271 0.000 1.116 521 V CA 0.212 61.435 62.300 -1.795 0.000 1.127 521 V CB -0.980 28.926 31.823 -3.195 0.000 0.742 521 V HN 0.094 nan 8.190 nan 0.000 0.474 522 F N 2.767 122.450 119.950 -0.446 0.000 2.420 522 F HA 0.641 5.166 4.527 -0.003 0.000 0.342 522 F C 0.494 176.246 175.800 -0.078 0.000 1.113 522 F CA -1.682 56.200 58.000 -0.195 0.000 1.059 522 F CB 0.624 39.508 39.000 -0.193 0.000 1.128 522 F HN 0.187 nan 8.300 nan 0.000 0.475 523 D N 0.627 121.122 120.400 0.159 0.000 2.440 523 D HA 0.133 4.771 4.640 -0.003 0.000 0.269 523 D C 0.804 177.164 176.300 0.100 0.000 1.249 523 D CA -0.303 53.761 54.000 0.108 0.000 1.055 523 D CB 0.539 41.397 40.800 0.096 0.000 1.104 523 D HN 0.501 nan 8.370 nan 0.000 0.561 524 E N -1.282 118.959 120.200 0.069 0.000 2.204 524 E HA -0.128 4.220 4.350 -0.003 0.000 0.195 524 E C 1.426 178.054 176.600 0.046 0.000 0.990 524 E CA 1.193 57.624 56.400 0.051 0.000 0.821 524 E CB -0.225 29.497 29.700 0.036 0.000 0.750 524 E HN 0.441 nan 8.360 nan 0.000 0.477 525 N N 0.288 119.021 118.700 0.054 0.000 2.148 525 N HA -0.055 4.683 4.740 -0.003 0.000 0.186 525 N C -0.152 175.384 175.510 0.043 0.000 1.031 525 N CA 0.661 53.734 53.050 0.039 0.000 0.848 525 N CB 0.114 38.621 38.487 0.033 0.000 1.005 525 N HN 0.139 nan 8.380 nan 0.000 0.427 526 E N 1.054 121.310 120.200 0.093 0.000 2.344 526 E HA 0.303 4.652 4.350 -0.003 0.000 0.270 526 E C 0.131 176.779 176.600 0.081 0.000 1.021 526 E CA -0.255 56.229 56.400 0.139 0.000 0.887 526 E CB 0.577 30.495 29.700 0.363 0.000 0.997 526 E HN 0.242 nan 8.360 nan 0.000 0.429 527 K N 3.083 123.508 120.400 0.042 0.000 2.168 527 K HA 0.204 4.522 4.320 -0.003 0.000 0.258 527 K C 0.237 176.736 176.600 -0.168 0.000 1.010 527 K CA -0.370 55.883 56.287 -0.056 0.000 0.929 527 K CB 0.183 32.659 32.500 -0.039 0.000 0.998 527 K HN 0.702 nan 8.250 nan 0.000 0.479 528 R N 1.490 121.717 120.500 -0.455 0.000 2.457 528 R HA 0.495 4.833 4.340 -0.003 0.000 0.284 528 R C -2.185 173.835 176.300 -0.467 0.000 1.024 528 R CA -1.628 53.922 56.100 -0.916 0.000 1.025 528 R CB 0.403 30.005 30.300 -1.165 0.000 1.063 528 R HN 0.511 nan 8.270 nan 0.000 0.493 529 P HA 0.011 nan 4.420 nan 0.000 0.268 529 P C -0.512 176.732 177.300 -0.093 0.000 1.208 529 P CA -0.200 62.801 63.100 -0.164 0.000 0.777 529 P CB 1.059 32.672 31.700 -0.144 0.000 0.875 530 S N 0.559 116.234 115.700 -0.041 0.000 3.224 530 S HA 0.353 4.822 4.470 -0.003 0.000 0.171 530 S C 1.029 175.536 174.600 -0.154 0.000 0.846 530 S CA 0.148 58.301 58.200 -0.079 0.000 1.328 530 S CB -0.804 62.356 63.200 -0.068 0.000 0.614 530 S HN 0.755 nan 8.310 nan 0.000 0.578 531 K N 0.000 120.304 120.400 -0.160 0.000 2.780 531 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 531 K CA 0.000 56.135 56.287 -0.254 0.000 0.838 531 K CB 0.000 32.418 32.500 -0.136 0.000 1.064 531 K HN 0.000 nan 8.250 nan 0.000 0.543