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 2isa_1_D DATA FIRST_RESID 3 DATA SEQUENCE SKKLTTAAGC PVAHNQNVQT AGKRGPQLLQ DVWFLEKLAH FDREVIPERR DATA SEQUENCE XHAKGSGAYG TFTVTHDITK YTKAKIFSDI GKKTDMFARF STVAGERGAA DATA SEQUENCE DAERDIRGFS LKFYTEEGNW DLAGNNTPVF FLRDPLKFPD LNHAVKRDPR DATA SEQUENCE TNMRSAKNNW DFWTSLPEAL HQVTIVMSDR GIPATYRHMH GFGSHTFSFI DATA SEQUENCE NSDNERYWVK FHFVSQQGIK NLSDAEAGEL VGNDRESHQR DLLDSIDNQD DATA SEQUENCE FPKWTLKVQI MPEADAATVP YNPFDLTKVW PHKDYPLIEV GEFELNRNPQ DATA SEQUENCE NYFAEVEQAA FNPANVVPGI SFSPDKMLQG RLFAYGDAQR YRLGVNHQHI DATA SEQUENCE PVNAPRCPVH SYHRDGAMRV DGNFGSTLGY EPNDQGQWAE QPDFSEPPLN DATA SEQUENCE LDGAAAHWDH REDEDYFSQP GDLFGLMTAE KQAILFDNTA RNLNGVPKEI DATA SEQUENCE QLRHVTHCYK ADPAYGEGIG KLLGFDISEY NS 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 0.000 174.588 174.600 -0.021 0.000 1.055 3 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 3 S CB 0.000 63.184 63.200 -0.026 0.000 0.593 4 K N 1.428 121.815 120.400 -0.022 0.000 2.358 4 K HA 0.220 4.540 4.320 -0.000 0.000 0.197 4 K C -0.118 176.462 176.600 -0.034 0.000 1.025 4 K CA -0.073 56.201 56.287 -0.021 0.000 1.104 4 K CB 0.292 32.783 32.500 -0.014 0.000 0.855 4 K HN 0.379 nan 8.250 nan 0.000 0.531 5 K N 1.500 121.872 120.400 -0.046 0.000 2.326 5 K HA 0.095 4.415 4.320 -0.000 0.000 0.275 5 K C -0.372 176.175 176.600 -0.090 0.000 1.018 5 K CA -0.493 55.753 56.287 -0.068 0.000 0.962 5 K CB 0.710 33.167 32.500 -0.072 0.000 0.953 5 K HN -0.114 nan 8.250 nan 0.000 0.475 6 L N 2.942 124.089 121.223 -0.126 0.000 2.331 6 L HA 0.180 4.520 4.340 -0.000 0.000 0.278 6 L C -0.005 176.710 176.870 -0.257 0.000 1.106 6 L CA 0.706 55.436 54.840 -0.184 0.000 0.824 6 L CB 0.823 42.746 42.059 -0.226 0.000 1.142 6 L HN 0.847 nan 8.230 nan 0.000 0.443 7 T N 0.266 114.669 114.554 -0.252 0.000 2.864 7 T HA 0.665 5.014 4.350 -0.000 0.000 0.289 7 T C 0.167 174.686 174.700 -0.303 0.000 1.082 7 T CA -0.135 61.808 62.100 -0.262 0.000 1.009 7 T CB 1.131 69.916 68.868 -0.138 0.000 1.234 7 T HN 0.791 nan 8.240 nan 0.000 0.526 8 T N -1.018 113.411 114.554 -0.208 0.000 2.726 8 T HA 0.504 4.854 4.350 -0.000 0.000 0.294 8 T C 1.872 176.586 174.700 0.025 0.000 1.013 8 T CA -0.190 61.905 62.100 -0.008 0.000 0.996 8 T CB 0.092 69.000 68.868 0.066 0.000 1.016 8 T HN 1.073 nan 8.240 nan 0.000 0.529 9 A N 0.679 123.537 122.820 0.064 0.000 2.024 9 A HA 0.208 4.528 4.320 -0.000 0.000 0.220 9 A C 2.422 180.025 177.584 0.031 0.000 1.164 9 A CA 1.553 53.606 52.037 0.027 0.000 0.643 9 A CB -1.330 17.685 19.000 0.025 0.000 0.806 9 A HN 1.274 nan 8.150 nan 0.000 0.451 10 A N -2.017 120.825 122.820 0.037 0.000 2.251 10 A HA 0.438 4.758 4.320 -0.000 0.000 0.209 10 A C 1.673 179.260 177.584 0.004 0.000 1.187 10 A CA 1.072 53.124 52.037 0.025 0.000 0.823 10 A CB -0.816 18.205 19.000 0.035 0.000 0.846 10 A HN 1.847 nan 8.150 nan 0.000 0.486 11 G N -1.634 107.159 108.800 -0.011 0.000 2.141 11 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 11 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 11 G C 0.374 175.247 174.900 -0.045 0.000 0.982 11 G CA 0.154 45.235 45.100 -0.031 0.000 0.662 11 G HN 1.045 nan 8.290 nan 0.000 0.527 12 C N 2.009 121.282 119.300 -0.045 0.000 2.585 12 C HA 0.582 5.042 4.460 -0.000 0.000 0.406 12 C C -1.243 173.679 174.990 -0.113 0.000 1.312 12 C CA -1.714 57.270 59.018 -0.058 0.000 1.924 12 C CB 0.069 27.790 27.740 -0.031 0.000 2.578 12 C HN 0.384 nan 8.230 nan 0.000 0.580 13 P HA 0.063 nan 4.420 nan 0.000 0.264 13 P C -0.899 176.269 177.300 -0.220 0.000 1.183 13 P CA 0.345 63.351 63.100 -0.157 0.000 0.763 13 P CB 0.302 31.931 31.700 -0.118 0.000 0.807 14 V N 3.585 123.299 119.914 -0.333 0.000 2.350 14 V HA 0.299 4.419 4.120 -0.000 0.000 0.276 14 V C 1.204 177.097 176.094 -0.335 0.000 1.028 14 V CA 0.235 62.261 62.300 -0.457 0.000 0.860 14 V CB 0.629 31.883 31.823 -0.948 0.000 0.990 14 V HN 0.668 nan 8.190 nan 0.000 0.453 15 A N 3.715 126.373 122.820 -0.270 0.000 1.984 15 A HA 0.102 4.422 4.320 -0.000 0.000 0.214 15 A C 0.857 178.141 177.584 -0.501 0.000 1.173 15 A CA 0.749 52.561 52.037 -0.375 0.000 0.673 15 A CB 0.046 18.799 19.000 -0.411 0.000 0.830 15 A HN 0.799 nan 8.150 nan 0.000 0.453 16 H N -0.494 118.544 119.070 -0.053 0.000 2.866 16 H HA 0.235 4.791 4.556 -0.000 0.000 0.287 16 H C -0.636 174.757 175.328 0.108 0.000 1.106 16 H CA -0.351 55.714 56.048 0.028 0.000 1.396 16 H CB 0.841 30.640 29.762 0.062 0.000 1.469 16 H HN 0.380 nan 8.280 nan 0.000 0.500 17 N N 1.117 119.922 118.700 0.174 0.000 2.203 17 N HA -0.034 4.706 4.740 -0.000 0.000 0.207 17 N C 0.852 176.491 175.510 0.215 0.000 1.130 17 N CA 0.194 53.407 53.050 0.272 0.000 0.861 17 N CB 0.677 39.278 38.487 0.191 0.000 1.005 17 N HN 0.392 nan 8.380 nan 0.000 0.507 18 Q N -0.934 118.969 119.800 0.172 0.000 2.369 18 Q HA 0.315 4.655 4.340 -0.000 0.000 0.254 18 Q C -0.522 175.535 176.000 0.096 0.000 0.858 18 Q CA 0.440 56.312 55.803 0.114 0.000 0.961 18 Q CB 0.613 29.402 28.738 0.085 0.000 1.119 18 Q HN 0.194 nan 8.270 nan 0.000 0.538 19 N N 1.006 119.772 118.700 0.109 0.000 2.371 19 N HA 0.258 4.997 4.740 -0.000 0.000 0.291 19 N C -0.377 175.150 175.510 0.028 0.000 1.053 19 N CA -0.180 52.898 53.050 0.047 0.000 0.870 19 N CB 3.272 41.773 38.487 0.023 0.000 1.503 19 N HN -0.076 nan 8.380 nan 0.000 0.485 20 V N 0.037 119.940 119.914 -0.019 0.000 3.185 20 V HA 0.275 4.395 4.120 -0.000 0.000 0.305 20 V C 0.624 176.661 176.094 -0.094 0.000 1.090 20 V CA -0.542 61.721 62.300 -0.062 0.000 1.107 20 V CB 0.851 32.551 31.823 -0.205 0.000 1.061 20 V HN 0.610 nan 8.190 nan 0.000 0.480 21 Q N 1.606 121.352 119.800 -0.091 0.000 2.288 21 Q HA 0.493 4.833 4.340 -0.000 0.000 0.258 21 Q C -0.056 175.888 176.000 -0.094 0.000 0.957 21 Q CA -0.020 55.726 55.803 -0.095 0.000 0.919 21 Q CB 1.018 29.719 28.738 -0.063 0.000 1.185 21 Q HN 1.136 nan 8.270 nan 0.000 0.408 22 T N -0.715 113.789 114.554 -0.084 0.000 2.901 22 T HA 0.694 5.044 4.350 -0.000 0.000 0.293 22 T C -0.571 174.097 174.700 -0.054 0.000 1.084 22 T CA -0.903 61.153 62.100 -0.073 0.000 1.008 22 T CB 1.621 70.445 68.868 -0.073 0.000 1.170 22 T HN 0.514 nan 8.240 nan 0.000 0.509 23 A N 1.221 124.014 122.820 -0.045 0.000 2.805 23 A HA 0.694 5.014 4.320 -0.000 0.000 0.301 23 A C 1.197 178.762 177.584 -0.031 0.000 1.557 23 A CA 0.237 52.254 52.037 -0.034 0.000 1.254 23 A CB -1.615 17.369 19.000 -0.028 0.000 1.114 23 A HN 2.198 nan 8.150 nan 0.000 0.553 24 G N 1.441 110.223 108.800 -0.031 0.000 2.746 24 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.685 24 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.685 24 G C 0.520 175.401 174.900 -0.031 0.000 1.350 24 G CA -0.044 45.039 45.100 -0.027 0.000 0.837 24 G HN 0.622 nan 8.290 nan 0.000 0.564 25 K N -0.157 120.227 120.400 -0.026 0.000 2.113 25 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 25 K C 1.887 178.470 176.600 -0.028 0.000 1.047 25 K CA 1.601 57.872 56.287 -0.026 0.000 0.928 25 K CB -0.081 32.407 32.500 -0.020 0.000 0.716 25 K HN 0.338 nan 8.250 nan 0.000 0.446 26 R N 0.327 120.812 120.500 -0.026 0.000 2.613 26 R HA 0.183 4.523 4.340 -0.000 0.000 0.361 26 R C 0.342 176.625 176.300 -0.028 0.000 1.072 26 R CA -0.056 56.029 56.100 -0.026 0.000 1.089 26 R CB 1.133 31.421 30.300 -0.020 0.000 1.343 26 R HN 0.089 nan 8.270 nan 0.000 0.571 27 G N 1.689 110.469 108.800 -0.033 0.000 2.488 27 G HA2 0.504 4.463 3.960 -0.000 0.000 0.318 27 G HA3 0.504 4.463 3.960 -0.000 0.000 0.318 27 G C -2.527 172.347 174.900 -0.044 0.000 1.188 27 G CA -1.071 44.009 45.100 -0.034 0.000 0.944 27 G HN -0.117 nan 8.290 nan 0.000 0.495 28 P HA 0.111 nan 4.420 nan 0.000 0.270 28 P C -0.215 177.044 177.300 -0.068 0.000 1.223 28 P CA -0.286 62.782 63.100 -0.053 0.000 0.785 28 P CB 0.525 32.201 31.700 -0.040 0.000 0.923 29 Q N 1.048 120.791 119.800 -0.095 0.000 2.352 29 Q HA 0.230 4.570 4.340 -0.000 0.000 0.260 29 Q C -0.877 175.068 176.000 -0.092 0.000 0.976 29 Q CA -0.249 55.477 55.803 -0.128 0.000 0.881 29 Q CB 0.186 28.793 28.738 -0.220 0.000 1.235 29 Q HN 0.352 nan 8.270 nan 0.000 0.419 30 L N 4.402 125.577 121.223 -0.081 0.000 2.312 30 L HA 0.128 4.468 4.340 -0.000 0.000 0.281 30 L C 0.999 177.857 176.870 -0.021 0.000 1.070 30 L CA -0.570 54.245 54.840 -0.041 0.000 0.805 30 L CB 0.834 42.876 42.059 -0.028 0.000 1.174 30 L HN 0.780 nan 8.230 nan 0.000 0.434 31 L N 2.863 124.089 121.223 0.005 0.000 2.131 31 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 31 L C 2.414 179.322 176.870 0.062 0.000 1.092 31 L CA 1.739 56.603 54.840 0.040 0.000 0.759 31 L CB -0.520 41.561 42.059 0.037 0.000 0.903 31 L HN 0.838 nan 8.230 nan 0.000 0.435 32 Q N -1.376 118.451 119.800 0.046 0.000 2.515 32 Q HA -0.127 4.213 4.340 -0.000 0.000 0.212 32 Q C 0.170 176.219 176.000 0.082 0.000 0.970 32 Q CA 0.484 56.322 55.803 0.058 0.000 0.941 32 Q CB -0.574 28.188 28.738 0.040 0.000 0.998 32 Q HN 0.369 nan 8.270 nan 0.000 0.518 33 D N 1.893 122.347 120.400 0.091 0.000 2.498 33 D HA 0.005 4.645 4.640 -0.000 0.000 0.229 33 D C 1.154 177.581 176.300 0.212 0.000 1.188 33 D CA -0.118 53.967 54.000 0.143 0.000 1.028 33 D CB 1.200 42.062 40.800 0.103 0.000 1.087 33 D HN 0.235 nan 8.370 nan 0.000 0.510 34 V N 2.378 122.410 119.914 0.196 0.000 2.719 34 V HA -0.020 4.100 4.120 -0.000 0.000 0.252 34 V C 2.115 178.343 176.094 0.223 0.000 1.065 34 V CA 0.369 62.777 62.300 0.181 0.000 1.086 34 V CB -0.864 31.045 31.823 0.143 0.000 0.700 34 V HN 0.589 nan 8.190 nan 0.000 0.467 35 W N 0.680 122.035 121.300 0.092 0.000 2.358 35 W HA -0.245 4.415 4.660 -0.000 0.000 0.303 35 W C 2.265 178.830 176.519 0.077 0.000 1.208 35 W CA 1.695 59.082 57.345 0.070 0.000 1.274 35 W CB -0.355 29.149 29.460 0.074 0.000 1.138 35 W HN 0.399 nan 8.180 nan 0.000 0.515 36 F N 1.816 121.674 119.950 -0.154 0.000 2.095 36 F HA -0.274 4.252 4.527 -0.000 0.000 0.298 36 F C 2.272 177.930 175.800 -0.236 0.000 1.104 36 F CA 2.520 60.362 58.000 -0.264 0.000 1.232 36 F CB -0.958 37.983 39.000 -0.098 0.000 0.987 36 F HN -0.215 nan 8.300 nan 0.000 0.475 37 L N 0.142 121.251 121.223 -0.189 0.000 2.012 37 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 37 L C 2.605 179.308 176.870 -0.279 0.000 1.073 37 L CA 2.085 56.781 54.840 -0.239 0.000 0.748 37 L CB -1.045 41.023 42.059 0.015 0.000 0.891 37 L HN 0.301 nan 8.230 nan 0.000 0.431 38 E N 0.788 120.872 120.200 -0.194 0.000 2.031 38 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 38 E C 2.276 178.708 176.600 -0.280 0.000 0.994 38 E CA 1.376 57.706 56.400 -0.117 0.000 0.800 38 E CB 0.031 29.733 29.700 0.003 0.000 0.752 38 E HN 0.276 nan 8.360 nan 0.000 0.447 39 K N 0.104 120.065 120.400 -0.733 0.000 2.044 39 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 39 K C 2.202 178.549 176.600 -0.422 0.000 1.049 39 K CA 1.296 57.100 56.287 -0.806 0.000 0.927 39 K CB -0.033 31.668 32.500 -1.333 0.000 0.713 39 K HN 0.195 nan 8.250 nan 0.000 0.443 40 L N 0.305 121.207 121.223 -0.534 0.000 2.109 40 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 40 L C 2.532 179.328 176.870 -0.123 0.000 1.086 40 L CA 1.599 56.230 54.840 -0.347 0.000 0.760 40 L CB -1.279 40.385 42.059 -0.658 0.000 0.910 40 L HN 0.273 nan 8.230 nan 0.000 0.437 41 A N -1.227 121.497 122.820 -0.160 0.000 1.933 41 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 41 A C 2.112 179.653 177.584 -0.071 0.000 1.175 41 A CA 1.174 53.156 52.037 -0.093 0.000 0.628 41 A CB -0.680 18.268 19.000 -0.087 0.000 0.814 41 A HN 0.457 nan 8.150 nan 0.000 0.444 42 H N -2.528 116.480 119.070 -0.105 0.000 2.363 42 H HA -0.099 4.457 4.556 -0.000 0.000 0.301 42 H C 1.997 177.291 175.328 -0.056 0.000 1.074 42 H CA 1.682 57.685 56.048 -0.074 0.000 1.354 42 H CB -0.298 29.426 29.762 -0.063 0.000 1.397 42 H HN 0.598 nan 8.280 nan 0.000 0.516 43 F N 2.627 122.546 119.950 -0.051 0.000 2.126 43 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 43 F C 1.669 177.414 175.800 -0.092 0.000 1.096 43 F CA 1.435 59.382 58.000 -0.089 0.000 1.255 43 F CB -0.248 38.678 39.000 -0.124 0.000 0.997 43 F HN -0.007 nan 8.300 nan 0.000 0.479 44 D N 0.058 120.343 120.400 -0.191 0.000 2.350 44 D HA -0.080 4.560 4.640 -0.000 0.000 0.216 44 D C 1.545 177.695 176.300 -0.249 0.000 0.968 44 D CA 0.913 54.758 54.000 -0.258 0.000 0.894 44 D CB -0.206 40.530 40.800 -0.107 0.000 0.909 44 D HN 0.417 nan 8.370 nan 0.000 0.520 45 R N -0.075 120.290 120.500 -0.224 0.000 2.596 45 R HA 0.189 4.529 4.340 -0.000 0.000 0.369 45 R C 1.146 177.330 176.300 -0.194 0.000 1.042 45 R CA -0.108 55.879 56.100 -0.189 0.000 1.120 45 R CB 0.628 30.822 30.300 -0.176 0.000 1.353 45 R HN 0.102 nan 8.270 nan 0.000 0.564 46 E N 0.470 120.518 120.200 -0.252 0.000 2.204 46 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 46 E C 0.153 176.596 176.600 -0.262 0.000 0.989 46 E CA 0.805 57.037 56.400 -0.281 0.000 0.824 46 E CB 0.363 29.882 29.700 -0.302 0.000 0.756 46 E HN -0.008 nan 8.360 nan 0.000 0.477 47 V N 2.907 122.716 119.914 -0.176 0.000 2.439 47 V HA 0.230 4.350 4.120 -0.000 0.000 0.282 47 V C 0.281 176.367 176.094 -0.013 0.000 1.039 47 V CA -0.443 61.814 62.300 -0.072 0.000 0.913 47 V CB 0.930 32.705 31.823 -0.079 0.000 0.983 47 V HN 0.108 nan 8.190 nan 0.000 0.460 48 I N 2.874 123.494 120.570 0.083 0.000 2.982 48 I HA 0.743 4.913 4.170 -0.000 0.000 0.312 48 I C -2.508 173.617 176.117 0.013 0.000 1.041 48 I CA -2.802 58.519 61.300 0.035 0.000 1.053 48 I CB 1.514 39.555 38.000 0.069 0.000 1.248 48 I HN 0.350 nan 8.210 nan 0.000 0.471 49 P HA 0.092 nan 4.420 nan 0.000 0.268 49 P C -0.823 176.489 177.300 0.020 0.000 1.204 49 P CA -0.124 62.974 63.100 -0.002 0.000 0.768 49 P CB 0.396 32.090 31.700 -0.010 0.000 0.842 50 E N 2.979 123.207 120.200 0.047 0.000 2.428 50 E HA 0.090 4.439 4.350 -0.000 0.000 0.257 50 E C -0.408 176.222 176.600 0.050 0.000 1.197 50 E CA -0.643 55.790 56.400 0.054 0.000 0.974 50 E CB 0.499 30.239 29.700 0.067 0.000 0.976 50 E HN 0.274 nan 8.360 nan 0.000 0.463 51 R N 0.647 121.176 120.500 0.049 0.000 2.679 51 R HA 0.061 4.401 4.340 -0.000 0.000 0.268 51 R C 0.458 176.797 176.300 0.065 0.000 1.044 51 R CA -0.330 55.798 56.100 0.046 0.000 1.105 51 R CB 0.347 30.683 30.300 0.059 0.000 0.989 51 R HN 0.443 nan 8.270 nan 0.000 0.447 55 A N 0.901 123.808 122.820 0.145 0.000 1.972 55 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 55 A C 1.431 179.095 177.584 0.133 0.000 1.169 55 A CA 1.283 53.391 52.037 0.119 0.000 0.635 55 A CB -0.003 19.050 19.000 0.088 0.000 0.810 55 A HN 0.131 nan 8.150 nan 0.000 0.446 56 K N -0.046 120.434 120.400 0.132 0.000 2.234 56 K HA 0.532 4.852 4.320 -0.000 0.000 0.277 56 K C -0.064 176.652 176.600 0.194 0.000 1.038 56 K CA 0.632 57.010 56.287 0.151 0.000 0.888 56 K CB 0.785 33.354 32.500 0.115 0.000 1.091 56 K HN 0.328 nan 8.250 nan 0.000 0.467 57 G N 0.848 109.794 108.800 0.243 0.000 2.608 57 G HA2 0.539 4.499 3.960 -0.000 0.000 0.291 57 G HA3 0.539 4.499 3.960 -0.000 0.000 0.291 57 G C -1.539 173.556 174.900 0.324 0.000 1.425 57 G CA -0.765 44.475 45.100 0.234 0.000 0.787 57 G HN 0.484 nan 8.290 nan 0.000 0.484 58 S N -1.595 114.226 115.700 0.202 0.000 2.540 58 S HA 0.865 5.335 4.470 -0.000 0.000 0.275 58 S C -0.090 174.495 174.600 -0.025 0.000 1.123 58 S CA -0.190 58.168 58.200 0.262 0.000 0.907 58 S CB 1.958 65.425 63.200 0.445 0.000 1.081 58 S HN 1.408 nan 8.310 nan 0.000 0.476 59 G N 0.386 109.168 108.800 -0.030 0.000 2.574 59 G HA2 0.864 4.824 3.960 -0.000 0.000 0.299 59 G HA3 0.864 4.824 3.960 -0.000 0.000 0.299 59 G C -1.477 173.272 174.900 -0.252 0.000 1.298 59 G CA -0.677 44.189 45.100 -0.390 0.000 0.952 59 G HN 1.038 nan 8.290 nan 0.000 0.477 60 A N -0.132 122.356 122.820 -0.553 0.000 2.589 60 A HA 0.722 5.042 4.320 -0.000 0.000 0.296 60 A C -1.724 175.666 177.584 -0.323 0.000 1.062 60 A CA -0.748 51.165 52.037 -0.208 0.000 0.686 60 A CB 0.785 19.794 19.000 0.016 0.000 1.282 60 A HN 0.653 nan 8.150 nan 0.000 0.404 61 Y N 0.429 120.791 120.300 0.102 0.000 2.316 61 Y HA 0.646 5.196 4.550 -0.000 0.000 0.324 61 Y C 1.274 177.203 175.900 0.048 0.000 1.267 61 Y CA 1.096 59.269 58.100 0.122 0.000 1.311 61 Y CB 1.742 40.299 38.460 0.162 0.000 1.267 61 Y HN 1.100 nan 8.280 nan 0.000 0.516 62 G N -0.461 108.471 108.800 0.221 0.000 2.650 62 G HA2 0.569 4.529 3.960 -0.000 0.000 0.310 62 G HA3 0.569 4.529 3.960 -0.000 0.000 0.310 62 G C -1.589 173.437 174.900 0.209 0.000 1.270 62 G CA -0.902 44.306 45.100 0.180 0.000 0.810 62 G HN 0.412 nan 8.290 nan 0.000 0.493 63 T N 0.326 115.037 114.554 0.262 0.000 2.971 63 T HA 0.508 4.858 4.350 -0.000 0.000 0.304 63 T C -1.609 173.356 174.700 0.441 0.000 1.038 63 T CA -0.236 62.042 62.100 0.296 0.000 1.007 63 T CB 1.779 70.765 68.868 0.198 0.000 1.055 63 T HN 0.551 nan 8.240 nan 0.000 0.451 64 F N 2.790 122.949 119.950 0.349 0.000 2.404 64 F HA 0.635 5.162 4.527 -0.000 0.000 0.339 64 F C -0.154 175.832 175.800 0.310 0.000 1.105 64 F CA -0.177 58.079 58.000 0.426 0.000 1.087 64 F CB 1.151 40.452 39.000 0.502 0.000 1.143 64 F HN 0.452 nan 8.300 nan 0.000 0.491 65 T N 5.601 119.835 114.554 -0.533 0.000 2.841 65 T HA 0.400 4.750 4.350 -0.000 0.000 0.285 65 T C -0.760 173.549 174.700 -0.652 0.000 0.991 65 T CA -0.644 61.216 62.100 -0.400 0.000 0.966 65 T CB 1.384 70.178 68.868 -0.122 0.000 0.962 65 T HN 0.396 nan 8.240 nan 0.000 0.438 66 V N 3.904 123.645 119.914 -0.288 0.000 2.572 66 V HA 0.209 4.329 4.120 -0.000 0.000 0.291 66 V C 1.649 177.739 176.094 -0.007 0.000 1.039 66 V CA 0.408 62.687 62.300 -0.034 0.000 1.055 66 V CB 0.758 32.699 31.823 0.197 0.000 0.969 66 V HN 1.190 nan 8.190 nan 0.000 0.482 67 T N 0.298 114.893 114.554 0.069 0.000 2.955 67 T HA 0.258 4.608 4.350 -0.000 0.000 0.251 67 T C 0.391 175.063 174.700 -0.048 0.000 1.002 67 T CA 0.114 62.250 62.100 0.059 0.000 0.970 67 T CB 0.129 69.104 68.868 0.179 0.000 1.091 67 T HN 0.664 nan 8.240 nan 0.000 0.495 68 H N 0.182 119.273 119.070 0.033 0.000 2.946 68 H HA 0.666 5.222 4.556 -0.000 0.000 0.365 68 H C -1.645 173.701 175.328 0.031 0.000 1.197 68 H CA -0.921 55.143 56.048 0.027 0.000 1.131 68 H CB 1.556 31.331 29.762 0.021 0.000 1.849 68 H HN 0.004 nan 8.280 nan 0.000 0.555 69 D N 1.738 122.221 120.400 0.138 0.000 2.412 69 D HA 0.144 4.784 4.640 -0.000 0.000 0.224 69 D C 0.321 176.659 176.300 0.063 0.000 1.093 69 D CA -0.370 53.673 54.000 0.071 0.000 0.850 69 D CB 0.388 41.206 40.800 0.029 0.000 1.046 69 D HN 0.605 nan 8.370 nan 0.000 0.507 70 I N 0.874 121.464 120.570 0.034 0.000 3.936 70 I HA 0.170 4.340 4.170 -0.000 0.000 0.330 70 I C 1.426 177.514 176.117 -0.048 0.000 1.509 70 I CA -0.397 60.935 61.300 0.052 0.000 1.126 70 I CB 0.227 38.244 38.000 0.029 0.000 1.115 70 I HN 0.159 nan 8.210 nan 0.000 0.424 71 T N -2.147 112.363 114.554 -0.073 0.000 3.051 71 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 71 T C 1.661 176.255 174.700 -0.176 0.000 1.127 71 T CA 1.056 63.097 62.100 -0.097 0.000 1.107 71 T CB -0.257 68.581 68.868 -0.050 0.000 0.898 71 T HN 0.526 nan 8.240 nan 0.000 0.517 72 K N -0.108 120.103 120.400 -0.315 0.000 2.209 72 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 72 K C 1.145 177.408 176.600 -0.561 0.000 1.048 72 K CA 1.325 57.304 56.287 -0.513 0.000 0.940 72 K CB -0.131 31.870 32.500 -0.832 0.000 0.729 72 K HN 0.574 nan 8.250 nan 0.000 0.451 73 Y N -1.030 119.148 120.300 -0.204 0.000 2.535 73 Y HA 0.172 4.722 4.550 -0.000 0.000 0.266 73 Y C 0.868 176.684 175.900 -0.139 0.000 1.088 73 Y CA 0.099 58.031 58.100 -0.280 0.000 1.285 73 Y CB 0.753 38.982 38.460 -0.385 0.000 1.166 73 Y HN -0.151 nan 8.280 nan 0.000 0.525 74 T N 0.571 115.019 114.554 -0.177 0.000 2.916 74 T HA 0.287 4.637 4.350 -0.000 0.000 0.298 74 T C 0.165 174.771 174.700 -0.157 0.000 1.031 74 T CA -0.851 61.073 62.100 -0.294 0.000 0.993 74 T CB 1.154 69.461 68.868 -0.936 0.000 1.045 74 T HN 0.332 nan 8.240 nan 0.000 0.454 75 K N 2.772 123.117 120.400 -0.091 0.000 2.404 75 K HA 0.543 4.862 4.320 -0.000 0.000 0.194 75 K C 0.757 177.321 176.600 -0.059 0.000 1.023 75 K CA -0.319 55.936 56.287 -0.052 0.000 1.094 75 K CB 0.252 32.738 32.500 -0.022 0.000 0.841 75 K HN 0.487 nan 8.250 nan 0.000 0.523 76 A N 2.263 125.013 122.820 -0.117 0.000 2.548 76 A HA 0.024 4.344 4.320 -0.000 0.000 0.247 76 A C 0.808 178.292 177.584 -0.168 0.000 1.067 76 A CA -0.294 51.627 52.037 -0.194 0.000 0.757 76 A CB 0.368 19.147 19.000 -0.369 0.000 0.996 76 A HN 0.183 nan 8.150 nan 0.000 0.504 77 K N 2.517 122.831 120.400 -0.144 0.000 2.097 77 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 77 K C 1.685 178.220 176.600 -0.110 0.000 1.049 77 K CA 1.434 57.672 56.287 -0.081 0.000 0.933 77 K CB -0.459 32.016 32.500 -0.041 0.000 0.717 77 K HN 0.865 nan 8.250 nan 0.000 0.442 78 I N 0.271 120.679 120.570 -0.271 0.000 2.315 78 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 78 I C 0.737 176.756 176.117 -0.164 0.000 1.125 78 I CA 1.354 62.464 61.300 -0.317 0.000 1.392 78 I CB 0.084 37.679 38.000 -0.675 0.000 1.065 78 I HN -0.055 nan 8.210 nan 0.000 0.424 79 F N 0.093 120.053 119.950 0.016 0.000 2.664 79 F HA 0.139 4.666 4.527 -0.000 0.000 0.303 79 F C 2.477 178.292 175.800 0.025 0.000 1.092 79 F CA 0.330 58.363 58.000 0.054 0.000 1.305 79 F CB -0.871 38.104 39.000 -0.042 0.000 1.054 79 F HN 0.098 nan 8.300 nan 0.000 0.565 80 S N -1.309 114.475 115.700 0.141 0.000 2.402 80 S HA -0.053 4.417 4.470 -0.000 0.000 0.229 80 S C 0.364 175.008 174.600 0.075 0.000 1.021 80 S CA 0.866 59.113 58.200 0.079 0.000 0.974 80 S CB -0.111 63.112 63.200 0.039 0.000 0.800 80 S HN 0.206 nan 8.310 nan 0.000 0.484 81 D N 0.321 120.777 120.400 0.093 0.000 2.934 81 D HA 0.401 5.041 4.640 -0.000 0.000 0.230 81 D C -0.833 175.514 176.300 0.079 0.000 1.204 81 D CA -0.545 53.495 54.000 0.068 0.000 0.873 81 D CB 1.917 42.747 40.800 0.050 0.000 1.645 81 D HN 0.191 nan 8.370 nan 0.000 0.502 82 I N 1.142 121.743 120.570 0.051 0.000 2.752 82 I HA 0.094 4.264 4.170 -0.000 0.000 0.289 82 I C 1.640 177.772 176.117 0.025 0.000 1.197 82 I CA 1.060 62.380 61.300 0.033 0.000 1.432 82 I CB 0.274 38.271 38.000 -0.005 0.000 1.359 82 I HN 0.829 nan 8.210 nan 0.000 0.571 83 G N 4.465 113.277 108.800 0.020 0.000 2.199 83 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.254 83 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.254 83 G C 0.450 175.371 174.900 0.036 0.000 0.982 83 G CA 0.014 45.124 45.100 0.016 0.000 0.632 83 G HN 0.637 nan 8.290 nan 0.000 0.529 84 K N 1.328 121.764 120.400 0.060 0.000 2.416 84 K HA 0.365 4.685 4.320 -0.000 0.000 0.283 84 K C 0.254 176.920 176.600 0.110 0.000 1.037 84 K CA 0.152 56.491 56.287 0.088 0.000 0.995 84 K CB 0.162 32.728 32.500 0.111 0.000 0.938 84 K HN 0.265 nan 8.250 nan 0.000 0.475 85 K N 2.768 123.237 120.400 0.114 0.000 2.182 85 K HA 0.272 4.592 4.320 -0.000 0.000 0.262 85 K C -0.969 175.751 176.600 0.199 0.000 0.957 85 K CA -0.686 55.691 56.287 0.149 0.000 0.842 85 K CB 2.035 34.603 32.500 0.113 0.000 1.099 85 K HN 0.494 nan 8.250 nan 0.000 0.438 86 T N 1.909 116.640 114.554 0.296 0.000 2.879 86 T HA 0.181 4.530 4.350 -0.000 0.000 0.290 86 T C -0.849 174.061 174.700 0.350 0.000 0.993 86 T CA -0.962 61.326 62.100 0.312 0.000 0.975 86 T CB 1.187 70.263 68.868 0.347 0.000 0.981 86 T HN 0.412 nan 8.240 nan 0.000 0.439 87 D N 3.547 124.128 120.400 0.301 0.000 2.368 87 D HA 0.461 5.100 4.640 -0.000 0.000 0.240 87 D C 0.453 176.995 176.300 0.403 0.000 1.169 87 D CA -0.001 54.196 54.000 0.329 0.000 0.906 87 D CB 0.737 41.695 40.800 0.264 0.000 1.187 87 D HN 0.607 nan 8.370 nan 0.000 0.435 88 M N -0.820 118.967 119.600 0.312 0.000 2.721 88 M HA 0.611 5.091 4.480 -0.000 0.000 0.271 88 M C -1.817 174.528 176.300 0.075 0.000 1.259 88 M CA -1.105 54.171 55.300 -0.040 0.000 0.835 88 M CB 2.581 34.942 32.600 -0.399 0.000 1.689 88 M HN 0.202 nan 8.290 nan 0.000 0.470 89 F N 1.145 120.846 119.950 -0.415 0.000 2.556 89 F HA 0.909 5.436 4.527 -0.000 0.000 0.314 89 F C -1.645 173.812 175.800 -0.571 0.000 1.106 89 F CA -0.406 57.321 58.000 -0.456 0.000 0.911 89 F CB 1.995 40.724 39.000 -0.452 0.000 1.190 89 F HN 0.958 nan 8.300 nan 0.000 0.448 90 A N 6.021 127.997 122.820 -1.406 0.000 2.374 90 A HA 0.848 5.168 4.320 -0.000 0.000 0.317 90 A C -1.320 175.252 177.584 -1.687 0.000 1.094 90 A CA -0.896 50.272 52.037 -1.449 0.000 0.765 90 A CB 1.555 19.679 19.000 -1.461 0.000 1.268 90 A HN 0.867 nan 8.150 nan 0.000 0.438 91 R N 1.710 121.344 120.500 -1.443 0.000 2.532 91 R HA 0.627 4.967 4.340 -0.000 0.000 0.297 91 R C -1.863 173.710 176.300 -1.212 0.000 0.984 91 R CA -0.370 55.070 56.100 -1.100 0.000 0.884 91 R CB 0.920 30.917 30.300 -0.504 0.000 1.182 91 R HN 0.625 nan 8.270 nan 0.000 0.442 92 F N 1.549 121.050 119.950 -0.748 0.000 2.483 92 F HA 0.588 5.115 4.527 -0.000 0.000 0.329 92 F C 0.416 175.839 175.800 -0.629 0.000 1.064 92 F CA -0.446 57.026 58.000 -0.879 0.000 0.986 92 F CB 2.218 40.285 39.000 -1.556 0.000 1.218 92 F HN 0.579 nan 8.300 nan 0.000 0.484 93 S N -1.317 114.315 115.700 -0.113 0.000 2.587 93 S HA 0.570 5.040 4.470 -0.000 0.000 0.269 93 S C -0.654 174.107 174.600 0.267 0.000 1.154 93 S CA -0.952 57.338 58.200 0.150 0.000 0.824 93 S CB 1.156 64.465 63.200 0.181 0.000 1.118 93 S HN 0.756 nan 8.310 nan 0.000 0.462 94 T N -1.041 113.638 114.554 0.208 0.000 2.833 94 T HA 0.664 5.014 4.350 -0.000 0.000 0.312 94 T C 0.903 175.554 174.700 -0.082 0.000 1.085 94 T CA 0.004 62.164 62.100 0.100 0.000 0.955 94 T CB 0.154 69.059 68.868 0.062 0.000 1.353 94 T HN 0.693 nan 8.240 nan 0.000 0.544 95 V N -0.379 119.440 119.914 -0.158 0.000 3.029 95 V HA 0.340 4.460 4.120 -0.000 0.000 0.230 95 V C 2.745 178.762 176.094 -0.129 0.000 1.254 95 V CA 0.658 62.740 62.300 -0.363 0.000 1.276 95 V CB -0.869 30.805 31.823 -0.248 0.000 1.080 95 V HN 0.999 nan 8.190 nan 0.000 0.495 96 A N 0.635 123.422 122.820 -0.056 0.000 1.975 96 A HA 0.335 4.655 4.320 -0.000 0.000 0.215 96 A C 1.568 179.139 177.584 -0.021 0.000 1.170 96 A CA 1.001 53.014 52.037 -0.041 0.000 0.656 96 A CB -0.820 18.153 19.000 -0.046 0.000 0.821 96 A HN 0.559 nan 8.150 nan 0.000 0.449 97 G N 0.272 109.068 108.800 -0.006 0.000 2.491 97 G HA2 0.419 4.379 3.960 -0.000 0.000 0.242 97 G HA3 0.419 4.379 3.960 -0.000 0.000 0.242 97 G C -0.245 174.670 174.900 0.024 0.000 1.266 97 G CA -0.257 44.849 45.100 0.009 0.000 0.844 97 G HN 0.431 nan 8.290 nan 0.000 0.571 98 E N 0.286 120.501 120.200 0.024 0.000 2.622 98 E HA 0.289 4.639 4.350 -0.000 0.000 0.255 98 E C 1.733 178.364 176.600 0.051 0.000 1.313 98 E CA -0.612 55.810 56.400 0.036 0.000 1.011 98 E CB 0.624 30.339 29.700 0.025 0.000 1.173 98 E HN 0.510 nan 8.360 nan 0.000 0.601 99 R N -0.026 120.511 120.500 0.061 0.000 2.227 99 R HA -0.248 4.092 4.340 -0.000 0.000 0.259 99 R C 1.291 177.626 176.300 0.059 0.000 1.139 99 R CA 2.124 58.267 56.100 0.072 0.000 0.969 99 R CB -0.507 29.837 30.300 0.073 0.000 0.903 99 R HN 0.625 nan 8.270 nan 0.000 0.452 100 G N -1.786 107.038 108.800 0.040 0.000 3.651 100 G HA2 0.464 4.424 3.960 -0.000 0.000 0.279 100 G HA3 0.464 4.424 3.960 -0.000 0.000 0.279 100 G C -0.275 174.640 174.900 0.025 0.000 1.024 100 G CA 0.173 45.291 45.100 0.029 0.000 0.813 100 G HN 0.458 nan 8.290 nan 0.000 0.518 101 A N 0.462 123.299 122.820 0.028 0.000 2.429 101 A HA 0.669 4.989 4.320 -0.000 0.000 0.242 101 A C 1.064 178.658 177.584 0.017 0.000 1.088 101 A CA 0.349 52.398 52.037 0.020 0.000 0.784 101 A CB 0.174 19.184 19.000 0.018 0.000 1.038 101 A HN 1.169 nan 8.150 nan 0.000 0.501 102 A N 0.750 123.574 122.820 0.007 0.000 2.520 102 A HA 0.282 4.602 4.320 -0.000 0.000 0.245 102 A C 0.748 178.315 177.584 -0.029 0.000 1.072 102 A CA 0.159 52.194 52.037 -0.004 0.000 0.761 102 A CB -0.125 18.872 19.000 -0.004 0.000 1.004 102 A HN 0.807 nan 8.150 nan 0.000 0.499 103 D N 2.397 122.766 120.400 -0.051 0.000 2.123 103 D HA -0.087 4.552 4.640 -0.000 0.000 0.196 103 D C 1.448 177.532 176.300 -0.359 0.000 0.992 103 D CA 2.115 56.010 54.000 -0.176 0.000 0.833 103 D CB -0.096 40.614 40.800 -0.150 0.000 0.954 103 D HN 0.660 nan 8.370 nan 0.000 0.455 104 A N 1.196 123.887 122.820 -0.214 0.000 3.117 104 A HA 0.141 4.460 4.320 -0.000 0.000 0.255 104 A C 0.200 177.749 177.584 -0.057 0.000 1.583 104 A CA -0.122 51.823 52.037 -0.153 0.000 1.234 104 A CB -0.391 18.627 19.000 0.030 0.000 1.076 104 A HN 0.025 nan 8.150 nan 0.000 0.653 105 E N 0.186 120.349 120.200 -0.061 0.000 2.250 105 E HA 0.252 4.602 4.350 -0.000 0.000 0.269 105 E C 0.019 176.637 176.600 0.031 0.000 1.018 105 E CA -0.887 55.512 56.400 -0.001 0.000 0.873 105 E CB 1.317 31.019 29.700 0.004 0.000 1.134 105 E HN 0.504 nan 8.360 nan 0.000 0.403 106 R N 2.195 122.733 120.500 0.064 0.000 2.343 106 R HA 0.027 4.367 4.340 -0.000 0.000 0.326 106 R C -1.016 175.354 176.300 0.117 0.000 1.055 106 R CA 0.627 56.786 56.100 0.099 0.000 0.961 106 R CB 0.114 30.489 30.300 0.124 0.000 0.978 106 R HN 0.391 nan 8.270 nan 0.000 0.443 107 D N 3.297 123.773 120.400 0.127 0.000 2.728 107 D HA 0.159 4.799 4.640 -0.000 0.000 0.249 107 D C -0.448 175.949 176.300 0.160 0.000 1.225 107 D CA -0.591 53.498 54.000 0.147 0.000 0.748 107 D CB 1.095 41.955 40.800 0.099 0.000 1.326 107 D HN 0.386 nan 8.370 nan 0.000 0.426 108 I N 1.564 122.249 120.570 0.191 0.000 2.948 108 I HA 0.025 4.195 4.170 -0.000 0.000 0.290 108 I C 0.709 176.952 176.117 0.210 0.000 1.226 108 I CA 0.215 61.635 61.300 0.201 0.000 1.413 108 I CB 0.300 38.457 38.000 0.262 0.000 1.352 108 I HN 0.031 nan 8.210 nan 0.000 0.597 109 R N 3.983 124.642 120.500 0.265 0.000 2.445 109 R HA 0.398 4.738 4.340 -0.000 0.000 0.308 109 R C -0.143 176.376 176.300 0.364 0.000 0.961 109 R CA -0.788 55.504 56.100 0.319 0.000 0.862 109 R CB 1.414 31.945 30.300 0.384 0.000 1.144 109 R HN 0.783 nan 8.270 nan 0.000 0.447 110 G N 1.276 110.311 108.800 0.392 0.000 2.442 110 G HA2 0.260 4.220 3.960 -0.000 0.000 0.249 110 G HA3 0.260 4.220 3.960 -0.000 0.000 0.249 110 G C -0.927 174.055 174.900 0.137 0.000 1.263 110 G CA -0.097 45.171 45.100 0.281 0.000 0.846 110 G HN 0.464 nan 8.290 nan 0.000 0.555 111 F N 2.103 121.964 119.950 -0.149 0.000 2.660 111 F HA 0.462 4.988 4.527 -0.000 0.000 0.352 111 F C 0.233 175.672 175.800 -0.602 0.000 1.257 111 F CA -0.803 57.044 58.000 -0.255 0.000 1.200 111 F CB 1.287 40.231 39.000 -0.092 0.000 1.473 111 F HN 0.398 nan 8.300 nan 0.000 0.561 112 S N 5.139 120.306 115.700 -0.887 0.000 2.437 112 S HA 0.787 5.257 4.470 -0.000 0.000 0.305 112 S C -0.768 173.030 174.600 -1.336 0.000 1.109 112 S CA -0.428 57.063 58.200 -1.181 0.000 1.099 112 S CB 0.509 62.702 63.200 -1.679 0.000 1.004 112 S HN 0.502 nan 8.310 nan 0.000 0.475 113 L N 4.413 125.043 121.223 -0.988 0.000 2.365 113 L HA 0.631 4.971 4.340 -0.000 0.000 0.273 113 L C -0.282 176.166 176.870 -0.704 0.000 1.000 113 L CA -0.774 53.466 54.840 -1.000 0.000 0.819 113 L CB 1.967 43.222 42.059 -1.341 0.000 1.284 113 L HN 0.478 nan 8.230 nan 0.000 0.418 114 K N 3.014 122.974 120.400 -0.733 0.000 2.535 114 K HA 0.508 4.828 4.320 -0.000 0.000 0.253 114 K C -1.664 174.352 176.600 -0.973 0.000 0.953 114 K CA -0.442 55.425 56.287 -0.700 0.000 0.863 114 K CB 0.957 33.086 32.500 -0.617 0.000 1.111 114 K HN 0.317 nan 8.250 nan 0.000 0.431 115 F N 3.712 123.358 119.950 -0.506 0.000 2.405 115 F HA 0.279 4.806 4.527 -0.000 0.000 0.355 115 F C -0.257 175.388 175.800 -0.259 0.000 1.121 115 F CA -0.723 57.075 58.000 -0.337 0.000 1.112 115 F CB 0.700 39.597 39.000 -0.171 0.000 1.126 115 F HN 0.407 nan 8.300 nan 0.000 0.481 116 Y N 1.714 122.098 120.300 0.141 0.000 2.636 116 Y HA 0.205 4.755 4.550 -0.000 0.000 0.334 116 Y C 1.063 177.021 175.900 0.096 0.000 1.286 116 Y CA -0.898 57.255 58.100 0.088 0.000 1.688 116 Y CB -0.608 37.885 38.460 0.054 0.000 1.662 116 Y HN 0.554 nan 8.280 nan 0.000 0.465 117 T N -2.536 112.131 114.554 0.189 0.000 2.847 117 T HA 0.116 4.465 4.350 -0.000 0.000 0.279 117 T C 1.183 175.927 174.700 0.074 0.000 0.984 117 T CA -0.591 61.574 62.100 0.107 0.000 0.988 117 T CB 1.179 70.061 68.868 0.023 0.000 1.040 117 T HN 0.713 nan 8.240 nan 0.000 0.528 118 E N -0.137 120.087 120.200 0.040 0.000 2.418 118 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 118 E C 0.728 177.327 176.600 -0.002 0.000 1.026 118 E CA 0.708 57.124 56.400 0.028 0.000 0.862 118 E CB -0.053 29.663 29.700 0.028 0.000 0.799 118 E HN 0.844 nan 8.360 nan 0.000 0.518 119 E N 0.706 120.887 120.200 -0.032 0.000 2.869 119 E HA 0.328 4.678 4.350 -0.000 0.000 0.207 119 E C -0.132 176.416 176.600 -0.087 0.000 0.986 119 E CA -0.052 56.290 56.400 -0.096 0.000 1.131 119 E CB 1.293 30.905 29.700 -0.146 0.000 1.098 119 E HN 0.355 nan 8.360 nan 0.000 0.459 120 G N 1.272 110.062 108.800 -0.018 0.000 2.392 120 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.677 120 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.677 120 G C -1.185 173.753 174.900 0.063 0.000 1.334 120 G CA -1.164 43.945 45.100 0.015 0.000 0.961 120 G HN 0.199 nan 8.290 nan 0.000 0.616 121 N N -0.010 118.731 118.700 0.068 0.000 2.442 121 N HA 0.300 5.040 4.740 -0.000 0.000 0.265 121 N C -0.599 174.978 175.510 0.112 0.000 1.138 121 N CA -0.172 52.907 53.050 0.047 0.000 0.956 121 N CB 0.839 39.312 38.487 -0.024 0.000 1.067 121 N HN 0.545 nan 8.380 nan 0.000 0.474 122 W N 4.649 125.909 121.300 -0.067 0.000 2.357 122 W HA 0.239 4.898 4.660 -0.000 0.000 0.317 122 W C -0.968 175.533 176.519 -0.030 0.000 1.101 122 W CA -1.052 56.266 57.345 -0.045 0.000 1.380 122 W CB 0.036 29.452 29.460 -0.073 0.000 1.266 122 W HN 0.410 nan 8.180 nan 0.000 0.419 123 D N 5.730 126.097 120.400 -0.056 0.000 2.249 123 D HA 0.200 4.840 4.640 -0.000 0.000 0.246 123 D C -0.947 175.106 176.300 -0.412 0.000 1.114 123 D CA -0.270 53.596 54.000 -0.224 0.000 0.854 123 D CB 1.872 42.634 40.800 -0.064 0.000 1.132 123 D HN 0.322 nan 8.370 nan 0.000 0.461 124 L N 2.393 123.252 121.223 -0.606 0.000 2.366 124 L HA 0.461 4.801 4.340 -0.000 0.000 0.266 124 L C -0.511 176.111 176.870 -0.413 0.000 1.010 124 L CA -0.765 53.747 54.840 -0.546 0.000 0.879 124 L CB 1.156 42.740 42.059 -0.792 0.000 1.228 124 L HN 0.363 nan 8.230 nan 0.000 0.439 125 A N 4.142 126.786 122.820 -0.293 0.000 2.807 125 A HA 0.672 4.992 4.320 -0.000 0.000 0.307 125 A C 0.631 178.098 177.584 -0.195 0.000 1.532 125 A CA 0.229 52.060 52.037 -0.342 0.000 1.215 125 A CB -0.818 17.977 19.000 -0.342 0.000 1.127 125 A HN 0.767 nan 8.150 nan 0.000 0.543 126 G N 0.894 109.595 108.800 -0.165 0.000 2.568 126 G HA2 0.535 4.495 3.960 -0.000 0.000 0.293 126 G HA3 0.535 4.495 3.960 -0.000 0.000 0.293 126 G C -0.389 174.540 174.900 0.047 0.000 1.347 126 G CA -0.564 44.533 45.100 -0.005 0.000 1.039 126 G HN 0.554 nan 8.290 nan 0.000 0.523 127 N N -1.033 117.752 118.700 0.142 0.000 2.629 127 N HA 0.201 4.941 4.740 -0.000 0.000 0.279 127 N C 0.317 176.014 175.510 0.311 0.000 1.344 127 N CA -0.742 52.446 53.050 0.230 0.000 0.789 127 N CB 1.527 40.132 38.487 0.197 0.000 1.508 127 N HN 0.508 nan 8.380 nan 0.000 0.516 128 N N -1.065 117.848 118.700 0.354 0.000 2.421 128 N HA -0.017 4.723 4.740 -0.000 0.000 0.201 128 N C -0.450 175.313 175.510 0.421 0.000 1.198 128 N CA 0.145 53.447 53.050 0.419 0.000 0.838 128 N CB 0.049 38.772 38.487 0.393 0.000 1.011 128 N HN 0.388 nan 8.380 nan 0.000 0.463 129 T N 0.009 114.695 114.554 0.220 0.000 2.912 129 T HA 0.369 4.719 4.350 -0.000 0.000 0.299 129 T C -2.409 171.929 174.700 -0.604 0.000 1.052 129 T CA -1.743 60.208 62.100 -0.248 0.000 0.996 129 T CB 2.180 70.937 68.868 -0.185 0.000 1.070 129 T HN -0.190 nan 8.240 nan 0.000 0.465 130 P HA 0.100 nan 4.420 nan 0.000 0.229 130 P C 0.593 177.605 177.300 -0.480 0.000 1.160 130 P CA 0.499 63.052 63.100 -0.911 0.000 0.777 130 P CB -0.045 31.110 31.700 -0.909 0.000 0.814 131 V N -4.771 114.870 119.914 -0.453 0.000 3.145 131 V HA 0.777 4.897 4.120 -0.000 0.000 0.311 131 V C -0.754 175.222 176.094 -0.196 0.000 1.238 131 V CA -1.151 60.938 62.300 -0.352 0.000 1.066 131 V CB 1.938 33.450 31.823 -0.519 0.000 1.144 131 V HN -0.091 nan 8.190 nan 0.000 0.465 132 F N -1.417 118.324 119.950 -0.350 0.000 2.715 132 F HA 0.651 5.178 4.527 -0.000 0.000 0.318 132 F C 0.285 175.918 175.800 -0.277 0.000 1.141 132 F CA -1.293 56.511 58.000 -0.327 0.000 0.950 132 F CB 1.676 40.608 39.000 -0.114 0.000 1.374 132 F HN 0.441 nan 8.300 nan 0.000 0.477 133 F N 1.433 120.937 119.950 -0.743 0.000 2.325 133 F HA 0.132 4.659 4.527 -0.000 0.000 0.299 133 F C 0.342 176.048 175.800 -0.156 0.000 1.090 133 F CA 0.727 58.440 58.000 -0.479 0.000 1.392 133 F CB -0.171 38.490 39.000 -0.566 0.000 1.053 133 F HN -0.077 nan 8.300 nan 0.000 0.521 134 L N -0.893 120.472 121.223 0.237 0.000 2.323 134 L HA 0.493 4.833 4.340 -0.000 0.000 0.265 134 L C 0.818 177.793 176.870 0.175 0.000 1.012 134 L CA -0.849 54.143 54.840 0.254 0.000 0.820 134 L CB 2.088 44.401 42.059 0.423 0.000 1.334 134 L HN -0.230 nan 8.230 nan 0.000 0.427 135 R N -0.633 119.871 120.500 0.007 0.000 2.307 135 R HA 0.167 4.507 4.340 -0.000 0.000 0.200 135 R C -0.394 175.877 176.300 -0.048 0.000 0.893 135 R CA 0.163 56.204 56.100 -0.099 0.000 1.042 135 R CB 0.600 30.639 30.300 -0.436 0.000 1.059 135 R HN 0.581 nan 8.270 nan 0.000 0.530 136 D N -0.001 120.414 120.400 0.025 0.000 2.896 136 D HA 0.145 4.785 4.640 -0.000 0.000 0.241 136 D C -2.095 174.317 176.300 0.187 0.000 1.188 136 D CA -2.005 52.060 54.000 0.109 0.000 0.879 136 D CB 2.583 43.475 40.800 0.154 0.000 1.553 136 D HN -0.189 nan 8.370 nan 0.000 0.515 137 P HA -0.034 nan 4.420 nan 0.000 0.226 137 P C 1.748 179.177 177.300 0.215 0.000 1.153 137 P CA 0.282 63.495 63.100 0.188 0.000 0.777 137 P CB 0.640 32.405 31.700 0.109 0.000 0.794 138 L N -0.524 120.813 121.223 0.191 0.000 2.201 138 L HA -0.088 4.251 4.340 -0.000 0.000 0.212 138 L C 2.264 179.254 176.870 0.200 0.000 1.105 138 L CA 1.181 56.127 54.840 0.177 0.000 0.775 138 L CB -0.510 41.644 42.059 0.159 0.000 0.913 138 L HN -0.105 nan 8.230 nan 0.000 0.440 139 K N -0.801 119.751 120.400 0.254 0.000 2.486 139 K HA -0.060 4.260 4.320 -0.000 0.000 0.194 139 K C 1.741 178.509 176.600 0.280 0.000 1.033 139 K CA 0.571 57.038 56.287 0.300 0.000 1.004 139 K CB -0.188 32.531 32.500 0.365 0.000 0.798 139 K HN 0.174 nan 8.250 nan 0.000 0.495 140 F N 2.627 122.664 119.950 0.146 0.000 2.113 140 F HA -0.079 4.448 4.527 -0.000 0.000 0.297 140 F C -0.943 174.828 175.800 -0.049 0.000 1.103 140 F CA 0.958 59.028 58.000 0.116 0.000 1.248 140 F CB -0.722 38.354 39.000 0.126 0.000 0.999 140 F HN 0.034 nan 8.300 nan 0.000 0.475 141 P HA -0.123 nan 4.420 nan 0.000 0.218 141 P C 1.073 177.940 177.300 -0.721 0.000 1.149 141 P CA 1.631 64.516 63.100 -0.360 0.000 0.817 141 P CB -0.064 31.498 31.700 -0.230 0.000 0.785 142 D N -0.593 119.538 120.400 -0.447 0.000 2.117 142 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 142 D C 1.920 177.619 176.300 -1.003 0.000 0.987 142 D CA 0.951 54.623 54.000 -0.546 0.000 0.829 142 D CB -0.578 40.106 40.800 -0.194 0.000 0.961 142 D HN 0.077 nan 8.370 nan 0.000 0.460 143 L N 2.020 122.725 121.223 -0.862 0.000 1.989 143 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 143 L C 1.869 178.328 176.870 -0.686 0.000 1.071 143 L CA 1.709 56.049 54.840 -0.834 0.000 0.749 143 L CB -0.946 40.896 42.059 -0.362 0.000 0.890 143 L HN -0.036 nan 8.230 nan 0.000 0.431 144 N N -0.472 117.841 118.700 -0.644 0.000 2.060 144 N HA -0.306 4.434 4.740 -0.000 0.000 0.195 144 N C 1.922 177.280 175.510 -0.254 0.000 1.028 144 N CA 2.502 55.299 53.050 -0.421 0.000 0.861 144 N CB -0.366 37.908 38.487 -0.355 0.000 1.029 144 N HN 0.715 nan 8.380 nan 0.000 0.428 145 H N -0.678 118.172 119.070 -0.366 0.000 2.462 145 H HA 0.086 4.642 4.556 -0.000 0.000 0.292 145 H C 1.903 177.017 175.328 -0.356 0.000 1.049 145 H CA 0.697 56.564 56.048 -0.302 0.000 1.334 145 H CB 0.185 29.798 29.762 -0.249 0.000 1.404 145 H HN 0.410 nan 8.280 nan 0.000 0.544 146 A N 0.861 123.429 122.820 -0.420 0.000 1.975 146 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 146 A C 2.345 179.654 177.584 -0.458 0.000 1.170 146 A CA 1.147 52.895 52.037 -0.482 0.000 0.656 146 A CB -0.334 18.207 19.000 -0.766 0.000 0.821 146 A HN 0.318 nan 8.150 nan 0.000 0.449 147 V N -3.294 116.349 119.914 -0.451 0.000 3.590 147 V HA 0.248 4.368 4.120 -0.000 0.000 0.265 147 V C 0.823 176.769 176.094 -0.247 0.000 1.239 147 V CA 0.536 62.594 62.300 -0.403 0.000 1.117 147 V CB -0.425 31.166 31.823 -0.387 0.000 0.818 147 V HN 0.329 nan 8.190 nan 0.000 0.451 148 K N 0.444 120.727 120.400 -0.195 0.000 2.443 148 K HA 0.535 4.854 4.320 -0.000 0.000 0.284 148 K C -0.208 176.324 176.600 -0.113 0.000 0.992 148 K CA -1.087 55.126 56.287 -0.124 0.000 1.292 148 K CB 0.546 32.995 32.500 -0.085 0.000 1.705 148 K HN 0.159 nan 8.250 nan 0.000 0.778 149 R N 1.668 122.116 120.500 -0.087 0.000 2.340 149 R HA 0.060 4.400 4.340 -0.000 0.000 0.300 149 R C -0.713 175.531 176.300 -0.094 0.000 1.069 149 R CA -0.247 55.805 56.100 -0.080 0.000 0.984 149 R CB 0.520 30.784 30.300 -0.060 0.000 1.003 149 R HN 0.499 nan 8.270 nan 0.000 0.459 150 D N 3.256 123.604 120.400 -0.087 0.000 2.488 150 D HA -0.017 4.623 4.640 -0.000 0.000 0.238 150 D C -1.418 174.831 176.300 -0.085 0.000 1.138 150 D CA -1.170 52.778 54.000 -0.087 0.000 0.873 150 D CB 0.995 41.755 40.800 -0.068 0.000 1.183 150 D HN 0.206 nan 8.370 nan 0.000 0.458 151 P HA -0.152 nan 4.420 nan 0.000 0.217 151 P C 0.999 178.259 177.300 -0.067 0.000 1.148 151 P CA 1.093 64.136 63.100 -0.095 0.000 0.828 151 P CB 0.170 31.806 31.700 -0.106 0.000 0.783 152 R N -0.741 119.725 120.500 -0.056 0.000 2.074 152 R HA -0.020 4.320 4.340 -0.000 0.000 0.218 152 R C 2.108 178.386 176.300 -0.037 0.000 1.137 152 R CA 1.752 57.827 56.100 -0.042 0.000 0.998 152 R CB -0.703 29.576 30.300 -0.036 0.000 0.895 152 R HN 0.162 nan 8.270 nan 0.000 0.442 153 T N -1.574 112.957 114.554 -0.038 0.000 3.055 153 T HA -0.062 4.288 4.350 -0.000 0.000 0.265 153 T C 0.826 175.507 174.700 -0.032 0.000 1.111 153 T CA 0.965 63.046 62.100 -0.032 0.000 1.118 153 T CB -0.306 68.544 68.868 -0.030 0.000 0.909 153 T HN 0.453 nan 8.240 nan 0.000 0.501 154 N N 0.230 118.907 118.700 -0.040 0.000 2.693 154 N HA -0.156 4.583 4.740 -0.000 0.000 0.249 154 N C -0.594 174.895 175.510 -0.036 0.000 1.119 154 N CA 0.975 54.002 53.050 -0.039 0.000 0.717 154 N CB -1.621 36.847 38.487 -0.030 0.000 1.071 154 N HN 0.714 nan 8.380 nan 0.000 0.555 155 M N -0.253 119.323 119.600 -0.039 0.000 2.658 155 M HA 0.423 4.903 4.480 -0.000 0.000 0.295 155 M C 0.273 176.543 176.300 -0.050 0.000 1.248 155 M CA -0.834 54.444 55.300 -0.037 0.000 0.843 155 M CB 1.907 34.491 32.600 -0.026 0.000 1.749 155 M HN -0.122 nan 8.290 nan 0.000 0.464 156 R N 0.777 121.246 120.500 -0.052 0.000 2.734 156 R HA 0.236 4.575 4.340 -0.000 0.000 0.266 156 R C -0.260 176.002 176.300 -0.063 0.000 1.044 156 R CA 0.045 56.101 56.100 -0.073 0.000 1.128 156 R CB 0.555 30.811 30.300 -0.073 0.000 1.010 156 R HN 0.619 nan 8.270 nan 0.000 0.461 157 S N 0.431 116.080 115.700 -0.086 0.000 2.659 157 S HA 0.369 4.839 4.470 -0.000 0.000 0.312 157 S C 0.730 175.296 174.600 -0.057 0.000 1.114 157 S CA -0.284 57.880 58.200 -0.061 0.000 1.063 157 S CB 1.643 64.802 63.200 -0.068 0.000 0.996 157 S HN 0.659 nan 8.310 nan 0.000 0.478 158 A N 5.596 128.423 122.820 0.011 0.000 1.933 158 A HA -0.060 4.259 4.320 -0.000 0.000 0.218 158 A C 2.184 179.854 177.584 0.144 0.000 1.175 158 A CA 1.400 53.507 52.037 0.118 0.000 0.628 158 A CB -0.524 18.566 19.000 0.151 0.000 0.814 158 A HN 0.766 nan 8.150 nan 0.000 0.444 159 K N 0.413 120.854 120.400 0.068 0.000 2.002 159 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 159 K C 1.721 178.339 176.600 0.030 0.000 1.048 159 K CA 1.979 58.305 56.287 0.064 0.000 0.930 159 K CB -0.646 31.873 32.500 0.031 0.000 0.714 159 K HN 0.689 nan 8.250 nan 0.000 0.438 160 N N 0.873 119.552 118.700 -0.035 0.000 2.043 160 N HA -0.200 4.540 4.740 -0.000 0.000 0.193 160 N C 1.822 177.230 175.510 -0.169 0.000 1.037 160 N CA 1.237 54.236 53.050 -0.085 0.000 0.851 160 N CB -0.253 38.159 38.487 -0.125 0.000 1.027 160 N HN 0.247 nan 8.380 nan 0.000 0.422 161 N N 0.301 118.813 118.700 -0.312 0.000 2.069 161 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 161 N C 1.287 176.337 175.510 -0.767 0.000 1.031 161 N CA 1.379 53.998 53.050 -0.718 0.000 0.852 161 N CB -0.228 37.715 38.487 -0.906 0.000 1.018 161 N HN 0.358 nan 8.380 nan 0.000 0.423 162 W N 0.712 121.837 121.300 -0.291 0.000 2.523 162 W HA 0.032 4.692 4.660 -0.000 0.000 0.278 162 W C 2.187 178.708 176.519 0.003 0.000 1.236 162 W CA 0.295 57.580 57.345 -0.101 0.000 1.306 162 W CB -0.393 29.039 29.460 -0.048 0.000 1.101 162 W HN 0.105 nan 8.180 nan 0.000 0.577 163 D N 0.116 120.629 120.400 0.189 0.000 2.116 163 D HA -0.289 4.351 4.640 -0.000 0.000 0.193 163 D C 1.859 178.246 176.300 0.145 0.000 0.998 163 D CA 1.537 55.625 54.000 0.146 0.000 0.836 163 D CB -0.545 40.314 40.800 0.098 0.000 0.951 163 D HN 0.080 nan 8.370 nan 0.000 0.449 164 F N -0.209 119.704 119.950 -0.061 0.000 2.075 164 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 164 F C 1.922 177.760 175.800 0.064 0.000 1.113 164 F CA 1.491 59.452 58.000 -0.066 0.000 1.218 164 F CB -0.475 38.401 39.000 -0.207 0.000 0.984 164 F HN 0.043 nan 8.300 nan 0.000 0.472 165 W N 1.048 122.264 121.300 -0.140 0.000 2.355 165 W HA -0.168 4.491 4.660 -0.000 0.000 0.309 165 W C 2.924 179.424 176.519 -0.033 0.000 1.206 165 W CA 2.452 59.667 57.345 -0.217 0.000 1.284 165 W CB -1.919 27.347 29.460 -0.324 0.000 1.145 165 W HN 0.185 nan 8.180 nan 0.000 0.502 166 T N -3.250 111.523 114.554 0.364 0.000 3.007 166 T HA -0.082 4.268 4.350 -0.000 0.000 0.270 166 T C 1.659 176.507 174.700 0.247 0.000 1.107 166 T CA 1.518 63.844 62.100 0.378 0.000 1.118 166 T CB -0.473 68.596 68.868 0.334 0.000 0.889 166 T HN -0.076 nan 8.240 nan 0.000 0.506 167 S N 0.790 116.537 115.700 0.079 0.000 2.527 167 S HA 0.343 4.813 4.470 -0.000 0.000 0.222 167 S C 0.499 175.048 174.600 -0.085 0.000 0.985 167 S CA 0.053 58.253 58.200 0.000 0.000 0.921 167 S CB -0.199 62.973 63.200 -0.046 0.000 0.772 167 S HN 0.506 nan 8.310 nan 0.000 0.529 168 L N 2.499 123.637 121.223 -0.142 0.000 2.384 168 L HA 0.313 4.653 4.340 -0.000 0.000 0.261 168 L C -1.954 174.761 176.870 -0.258 0.000 1.024 168 L CA -1.838 52.875 54.840 -0.211 0.000 0.899 168 L CB 1.619 43.517 42.059 -0.267 0.000 1.243 168 L HN -0.093 nan 8.230 nan 0.000 0.449 169 P HA -0.204 nan 4.420 nan 0.000 0.220 169 P C 1.139 178.114 177.300 -0.542 0.000 1.148 169 P CA 1.134 63.772 63.100 -0.769 0.000 0.803 169 P CB 0.205 31.152 31.700 -1.255 0.000 0.782 170 E N 0.825 120.768 120.200 -0.427 0.000 2.331 170 E HA -0.160 4.190 4.350 -0.000 0.000 0.199 170 E C 1.701 178.285 176.600 -0.027 0.000 1.008 170 E CA 1.465 57.847 56.400 -0.029 0.000 0.843 170 E CB -1.084 28.686 29.700 0.117 0.000 0.761 170 E HN 0.201 nan 8.360 nan 0.000 0.507 171 A N 1.217 123.995 122.820 -0.070 0.000 2.119 171 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 171 A C 2.141 179.700 177.584 -0.042 0.000 1.152 171 A CA 0.668 52.676 52.037 -0.048 0.000 0.708 171 A CB -0.514 18.432 19.000 -0.091 0.000 0.805 171 A HN 0.267 nan 8.150 nan 0.000 0.460 172 L N -0.391 120.849 121.223 0.029 0.000 2.043 172 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 172 L C 2.184 179.157 176.870 0.173 0.000 1.075 172 L CA 2.709 57.640 54.840 0.151 0.000 0.752 172 L CB -0.927 41.265 42.059 0.220 0.000 0.891 172 L HN 0.656 nan 8.230 nan 0.000 0.432 173 H N -1.662 117.411 119.070 0.005 0.000 2.289 173 H HA -0.259 4.297 4.556 -0.000 0.000 0.296 173 H C 2.187 177.438 175.328 -0.128 0.000 1.091 173 H CA 1.579 57.608 56.048 -0.031 0.000 1.274 173 H CB 0.270 29.997 29.762 -0.060 0.000 1.364 173 H HN 0.397 nan 8.280 nan 0.000 0.490 174 Q N 0.365 120.034 119.800 -0.218 0.000 2.172 174 Q HA -0.065 4.274 4.340 -0.000 0.000 0.200 174 Q C 2.320 178.063 176.000 -0.429 0.000 0.964 174 Q CA 1.160 56.632 55.803 -0.551 0.000 0.855 174 Q CB -0.155 27.868 28.738 -1.191 0.000 0.918 174 Q HN 0.353 nan 8.270 nan 0.000 0.444 175 V N 0.043 119.791 119.914 -0.277 0.000 2.343 175 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 175 V C 2.076 178.199 176.094 0.049 0.000 1.051 175 V CA 2.208 64.357 62.300 -0.251 0.000 1.036 175 V CB -0.936 30.720 31.823 -0.279 0.000 0.654 175 V HN 0.435 nan 8.190 nan 0.000 0.451 176 T N 0.211 114.866 114.554 0.169 0.000 2.746 176 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 176 T C 1.806 176.586 174.700 0.134 0.000 1.039 176 T CA 1.771 64.026 62.100 0.260 0.000 1.142 176 T CB -0.260 68.789 68.868 0.301 0.000 0.866 176 T HN 0.350 nan 8.240 nan 0.000 0.444 177 I N 0.370 120.966 120.570 0.044 0.000 2.202 177 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 177 I C 2.522 178.650 176.117 0.018 0.000 1.091 177 I CA 0.869 62.167 61.300 -0.003 0.000 1.368 177 I CB -0.360 37.578 38.000 -0.103 0.000 1.058 177 I HN 0.076 nan 8.210 nan 0.000 0.410 178 V N 0.813 120.727 119.914 0.001 0.000 2.626 178 V HA -0.193 3.926 4.120 -0.000 0.000 0.252 178 V C 2.157 178.334 176.094 0.140 0.000 1.067 178 V CA 1.398 63.742 62.300 0.073 0.000 1.081 178 V CB -0.119 31.769 31.823 0.109 0.000 0.686 178 V HN 0.334 nan 8.190 nan 0.000 0.468 179 M N 0.087 119.788 119.600 0.169 0.000 2.556 179 M HA 0.154 4.634 4.480 -0.000 0.000 0.245 179 M C 1.223 177.621 176.300 0.163 0.000 1.128 179 M CA 0.521 55.956 55.300 0.225 0.000 1.069 179 M CB -0.826 31.976 32.600 0.337 0.000 1.469 179 M HN 0.601 nan 8.290 nan 0.000 0.494 180 S N 0.893 116.661 115.700 0.113 0.000 2.661 180 S HA 0.096 4.566 4.470 -0.000 0.000 0.265 180 S C 1.124 175.756 174.600 0.054 0.000 1.225 180 S CA -0.186 58.051 58.200 0.062 0.000 0.986 180 S CB 0.912 64.133 63.200 0.035 0.000 1.008 180 S HN 0.412 nan 8.310 nan 0.000 0.565 181 D N 0.475 120.889 120.400 0.025 0.000 2.271 181 D HA -0.211 4.429 4.640 -0.000 0.000 0.207 181 D C 1.397 177.722 176.300 0.042 0.000 0.983 181 D CA 1.057 55.073 54.000 0.026 0.000 0.878 181 D CB -0.361 40.440 40.800 0.002 0.000 0.920 181 D HN 0.602 nan 8.370 nan 0.000 0.479 182 R N 0.093 120.622 120.500 0.049 0.000 2.313 182 R HA 0.133 4.473 4.340 -0.000 0.000 0.199 182 R C 2.237 178.588 176.300 0.086 0.000 0.958 182 R CA 0.603 56.742 56.100 0.066 0.000 1.047 182 R CB -0.214 30.127 30.300 0.067 0.000 0.955 182 R HN 0.319 nan 8.270 nan 0.000 0.481 183 G N 1.346 110.198 108.800 0.086 0.000 2.443 183 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.219 183 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.219 183 G C 0.841 175.805 174.900 0.107 0.000 1.131 183 G CA 0.334 45.496 45.100 0.104 0.000 0.775 183 G HN 0.184 nan 8.290 nan 0.000 0.547 184 I N 1.437 122.065 120.570 0.097 0.000 2.537 184 I HA 0.255 4.425 4.170 -0.000 0.000 0.276 184 I C -2.677 173.509 176.117 0.114 0.000 1.063 184 I CA -2.170 59.189 61.300 0.098 0.000 1.144 184 I CB 2.335 40.383 38.000 0.079 0.000 1.252 184 I HN -0.187 nan 8.210 nan 0.000 0.480 185 P HA 0.058 nan 4.420 nan 0.000 0.268 185 P C 0.740 178.150 177.300 0.183 0.000 1.204 185 P CA 0.098 63.299 63.100 0.168 0.000 0.768 185 P CB 1.222 33.057 31.700 0.225 0.000 0.842 186 A N 2.952 125.802 122.820 0.050 0.000 1.930 186 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 186 A C 1.052 178.454 177.584 -0.303 0.000 1.175 186 A CA 2.114 54.108 52.037 -0.072 0.000 0.627 186 A CB -0.895 18.012 19.000 -0.155 0.000 0.815 186 A HN 0.640 nan 8.150 nan 0.000 0.443 187 T N -6.823 107.603 114.554 -0.214 0.000 2.787 187 T HA 0.505 4.855 4.350 -0.000 0.000 0.297 187 T C 0.338 174.994 174.700 -0.073 0.000 1.221 187 T CA -0.436 61.420 62.100 -0.408 0.000 1.006 187 T CB 0.362 69.165 68.868 -0.109 0.000 1.328 187 T HN 0.036 nan 8.240 nan 0.000 0.509 188 Y N 0.603 120.879 120.300 -0.041 0.000 2.352 188 Y HA 0.151 4.701 4.550 -0.000 0.000 0.292 188 Y C 2.723 178.511 175.900 -0.187 0.000 1.136 188 Y CA 0.651 58.627 58.100 -0.208 0.000 1.227 188 Y CB -0.534 37.613 38.460 -0.522 0.000 0.991 188 Y HN 0.540 nan 8.280 nan 0.000 0.545 189 R N -0.968 119.553 120.500 0.035 0.000 2.236 189 R HA -0.018 4.322 4.340 -0.000 0.000 0.208 189 R C 0.286 176.379 176.300 -0.345 0.000 1.036 189 R CA 0.716 56.735 56.100 -0.134 0.000 1.001 189 R CB -0.141 29.984 30.300 -0.292 0.000 0.896 189 R HN 0.404 nan 8.270 nan 0.000 0.464 190 H N 0.657 119.730 119.070 0.005 0.000 2.524 190 H HA 0.236 4.792 4.556 -0.000 0.000 0.297 190 H C 0.123 175.463 175.328 0.019 0.000 1.115 190 H CA 0.015 56.044 56.048 -0.030 0.000 1.027 190 H CB 0.085 29.811 29.762 -0.060 0.000 1.591 190 H HN 0.183 nan 8.280 nan 0.000 0.543 191 M N -1.427 118.293 119.600 0.199 0.000 2.531 191 M HA 0.423 4.903 4.480 -0.000 0.000 0.286 191 M C -1.307 175.227 176.300 0.391 0.000 1.232 191 M CA -1.034 54.394 55.300 0.213 0.000 0.877 191 M CB 2.763 35.554 32.600 0.318 0.000 1.726 191 M HN -0.151 nan 8.290 nan 0.000 0.463 192 H N 0.347 119.637 119.070 0.367 0.000 2.546 192 H HA 0.735 5.291 4.556 -0.000 0.000 0.365 192 H C -0.020 175.199 175.328 -0.182 0.000 1.220 192 H CA -0.034 56.123 56.048 0.181 0.000 1.386 192 H CB 1.390 31.162 29.762 0.017 0.000 1.510 192 H HN 0.930 nan 8.280 nan 0.000 0.591 193 G N -0.155 108.150 108.800 -0.825 0.000 2.498 193 G HA2 0.572 4.532 3.960 -0.000 0.000 0.312 193 G HA3 0.572 4.532 3.960 -0.000 0.000 0.312 193 G C -1.575 172.753 174.900 -0.953 0.000 1.230 193 G CA -0.482 43.698 45.100 -1.533 0.000 0.968 193 G HN 0.334 nan 8.290 nan 0.000 0.481 194 F N -0.944 118.886 119.950 -0.200 0.000 2.628 194 F HA 0.469 4.996 4.527 -0.000 0.000 0.309 194 F C 1.120 176.936 175.800 0.026 0.000 1.108 194 F CA -0.402 57.551 58.000 -0.079 0.000 0.971 194 F CB 2.327 41.231 39.000 -0.160 0.000 1.279 194 F HN 0.626 nan 8.300 nan 0.000 0.441 195 G N 0.212 109.199 108.800 0.311 0.000 2.484 195 G HA2 0.100 4.059 3.960 -0.000 0.000 0.218 195 G HA3 0.100 4.059 3.960 -0.000 0.000 0.218 195 G C 0.961 176.029 174.900 0.281 0.000 1.130 195 G CA 0.968 46.318 45.100 0.416 0.000 0.784 195 G HN 0.747 nan 8.290 nan 0.000 0.543 196 S N -0.865 114.891 115.700 0.094 0.000 1.637 196 S HA -0.257 4.213 4.470 -0.000 0.000 0.232 196 S C 0.873 175.340 174.600 -0.221 0.000 0.808 196 S CA 1.455 59.563 58.200 -0.153 0.000 1.437 196 S CB -1.297 61.747 63.200 -0.260 0.000 1.838 196 S HN 0.694 nan 8.310 nan 0.000 0.525 197 H N 2.460 121.508 119.070 -0.037 0.000 2.771 197 H HA 0.235 4.791 4.556 -0.000 0.000 0.364 197 H C 0.526 175.708 175.328 -0.243 0.000 1.133 197 H CA 0.922 56.834 56.048 -0.226 0.000 1.423 197 H CB 0.025 29.457 29.762 -0.549 0.000 1.425 197 H HN 0.366 nan 8.280 nan 0.000 0.606 198 T N 4.209 118.698 114.554 -0.108 0.000 2.853 198 T HA 0.128 4.478 4.350 -0.000 0.000 0.298 198 T C 0.319 174.973 174.700 -0.076 0.000 0.978 198 T CA 0.316 62.382 62.100 -0.057 0.000 1.152 198 T CB -0.254 68.702 68.868 0.147 0.000 0.914 198 T HN 0.232 nan 8.240 nan 0.000 0.539 199 F N 0.839 120.901 119.950 0.185 0.000 2.656 199 F HA 0.651 5.178 4.527 -0.000 0.000 0.394 199 F C 0.941 176.958 175.800 0.362 0.000 1.168 199 F CA -0.917 57.262 58.000 0.298 0.000 1.135 199 F CB 1.096 40.316 39.000 0.367 0.000 1.480 199 F HN 0.511 nan 8.300 nan 0.000 0.500 200 S N -0.277 115.738 115.700 0.525 0.000 2.568 200 S HA 0.728 5.198 4.470 -0.000 0.000 0.293 200 S C -1.527 173.232 174.600 0.266 0.000 1.089 200 S CA -0.667 57.733 58.200 0.333 0.000 0.945 200 S CB 1.748 65.082 63.200 0.224 0.000 1.077 200 S HN 0.236 nan 8.310 nan 0.000 0.485 201 F N 1.178 121.223 119.950 0.158 0.000 2.480 201 F HA 0.636 5.163 4.527 -0.000 0.000 0.329 201 F C -0.132 175.738 175.800 0.117 0.000 1.091 201 F CA -2.007 56.075 58.000 0.138 0.000 0.972 201 F CB 1.652 40.749 39.000 0.162 0.000 1.150 201 F HN 0.468 nan 8.300 nan 0.000 0.467 202 I N 3.739 124.467 120.570 0.264 0.000 2.436 202 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 202 I C -0.315 175.866 176.117 0.106 0.000 1.010 202 I CA -0.842 60.542 61.300 0.140 0.000 1.098 202 I CB 1.457 39.490 38.000 0.056 0.000 1.266 202 I HN 0.517 nan 8.210 nan 0.000 0.434 203 N N 3.207 121.979 118.700 0.121 0.000 2.476 203 N HA 0.198 4.938 4.740 -0.000 0.000 0.287 203 N C 0.641 176.160 175.510 0.016 0.000 1.262 203 N CA -0.578 52.510 53.050 0.063 0.000 0.980 203 N CB 0.371 38.917 38.487 0.099 0.000 1.163 203 N HN 0.364 nan 8.380 nan 0.000 0.592 204 S N -1.106 114.588 115.700 -0.009 0.000 2.419 204 S HA -0.105 4.364 4.470 -0.000 0.000 0.235 204 S C 0.275 174.858 174.600 -0.027 0.000 1.019 204 S CA 1.085 59.269 58.200 -0.026 0.000 0.982 204 S CB -0.396 62.783 63.200 -0.035 0.000 0.789 204 S HN 0.557 nan 8.310 nan 0.000 0.490 205 D N 0.807 121.198 120.400 -0.014 0.000 2.325 205 D HA 0.153 4.793 4.640 -0.000 0.000 0.225 205 D C 0.185 176.472 176.300 -0.021 0.000 1.096 205 D CA 0.021 54.010 54.000 -0.019 0.000 0.844 205 D CB -0.191 40.601 40.800 -0.012 0.000 0.925 205 D HN 0.150 nan 8.370 nan 0.000 0.513 206 N N 1.125 119.815 118.700 -0.017 0.000 2.708 206 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 206 N C -0.723 174.762 175.510 -0.041 0.000 1.123 206 N CA 0.682 53.718 53.050 -0.023 0.000 0.739 206 N CB -0.944 37.524 38.487 -0.031 0.000 1.113 206 N HN 0.451 nan 8.380 nan 0.000 0.561 207 E N 0.354 120.534 120.200 -0.034 0.000 2.313 207 E HA 0.196 4.546 4.350 -0.000 0.000 0.276 207 E C 0.492 177.013 176.600 -0.133 0.000 1.031 207 E CA -0.475 55.860 56.400 -0.108 0.000 0.857 207 E CB 1.328 30.965 29.700 -0.106 0.000 1.040 207 E HN 0.163 nan 8.360 nan 0.000 0.408 208 R N 3.174 123.496 120.500 -0.298 0.000 2.393 208 R HA 0.291 4.631 4.340 -0.000 0.000 0.310 208 R C -1.454 174.495 176.300 -0.585 0.000 0.968 208 R CA -0.395 55.507 56.100 -0.331 0.000 0.867 208 R CB 0.598 30.658 30.300 -0.401 0.000 1.124 208 R HN 0.503 nan 8.270 nan 0.000 0.450 209 Y N 2.496 122.685 120.300 -0.185 0.000 2.485 209 Y HA 0.359 4.909 4.550 -0.000 0.000 0.345 209 Y C -0.602 175.180 175.900 -0.197 0.000 0.998 209 Y CA -0.619 57.382 58.100 -0.164 0.000 1.059 209 Y CB 1.340 39.842 38.460 0.070 0.000 1.234 209 Y HN 0.532 nan 8.280 nan 0.000 0.461 210 W N 2.296 123.737 121.300 0.235 0.000 2.316 210 W HA 0.607 5.267 4.660 -0.000 0.000 0.321 210 W C -0.560 176.075 176.519 0.193 0.000 1.203 210 W CA -0.743 56.751 57.345 0.249 0.000 1.214 210 W CB 1.126 30.783 29.460 0.327 0.000 1.169 210 W HN 0.255 nan 8.180 nan 0.000 0.561 211 V N 3.721 123.773 119.914 0.231 0.000 2.925 211 V HA 0.525 4.644 4.120 -0.000 0.000 0.311 211 V C -1.052 174.733 176.094 -0.515 0.000 1.104 211 V CA -1.160 60.953 62.300 -0.313 0.000 0.954 211 V CB 1.963 33.152 31.823 -1.057 0.000 1.022 211 V HN 0.429 nan 8.190 nan 0.000 0.427 212 K N 5.087 125.097 120.400 -0.649 0.000 2.270 212 K HA 0.544 4.864 4.320 -0.000 0.000 0.255 212 K C -1.514 174.795 176.600 -0.485 0.000 0.936 212 K CA -0.203 55.740 56.287 -0.573 0.000 0.809 212 K CB 2.046 34.195 32.500 -0.584 0.000 1.131 212 K HN 0.565 nan 8.250 nan 0.000 0.427 213 F N 2.261 122.157 119.950 -0.091 0.000 2.420 213 F HA 0.324 4.851 4.527 -0.000 0.000 0.342 213 F C 0.877 176.478 175.800 -0.332 0.000 1.113 213 F CA -0.427 57.483 58.000 -0.151 0.000 1.059 213 F CB 1.020 39.980 39.000 -0.066 0.000 1.128 213 F HN 0.261 nan 8.300 nan 0.000 0.475 214 H N 3.554 122.453 119.070 -0.285 0.000 2.589 214 H HA 0.368 4.924 4.556 -0.000 0.000 0.351 214 H C -1.425 173.514 175.328 -0.648 0.000 1.074 214 H CA -0.739 55.059 56.048 -0.416 0.000 1.203 214 H CB 2.024 31.627 29.762 -0.265 0.000 1.558 214 H HN 0.445 nan 8.280 nan 0.000 0.522 215 F N 2.065 121.842 119.950 -0.289 0.000 2.366 215 F HA 0.200 4.727 4.527 -0.000 0.000 0.366 215 F C 0.113 175.932 175.800 0.032 0.000 1.096 215 F CA -0.803 57.158 58.000 -0.064 0.000 1.060 215 F CB 1.324 40.236 39.000 -0.146 0.000 1.282 215 F HN 0.168 nan 8.300 nan 0.000 0.450 216 V N 2.558 122.593 119.914 0.201 0.000 2.385 216 V HA 0.167 4.287 4.120 -0.000 0.000 0.269 216 V C 0.491 176.738 176.094 0.255 0.000 1.043 216 V CA -0.621 61.729 62.300 0.083 0.000 0.906 216 V CB 1.209 32.985 31.823 -0.080 0.000 0.995 216 V HN 0.764 nan 8.190 nan 0.000 0.467 217 S N 3.976 119.911 115.700 0.392 0.000 2.525 217 S HA 0.038 4.508 4.470 -0.000 0.000 0.285 217 S C 1.075 175.548 174.600 -0.211 0.000 1.283 217 S CA -0.121 57.929 58.200 -0.249 0.000 1.072 217 S CB 0.494 63.603 63.200 -0.153 0.000 0.867 217 S HN 0.801 nan 8.310 nan 0.000 0.492 218 Q N 2.970 122.540 119.800 -0.382 0.000 2.472 218 Q HA -0.027 4.313 4.340 -0.000 0.000 0.208 218 Q C 1.300 177.163 176.000 -0.228 0.000 0.958 218 Q CA 0.659 56.327 55.803 -0.225 0.000 0.932 218 Q CB 0.076 28.701 28.738 -0.189 0.000 1.007 218 Q HN 0.716 nan 8.270 nan 0.000 0.508 219 Q N -0.417 119.172 119.800 -0.351 0.000 2.424 219 Q HA 0.166 4.506 4.340 -0.000 0.000 0.204 219 Q C 0.529 176.461 176.000 -0.114 0.000 0.933 219 Q CA 0.607 56.227 55.803 -0.305 0.000 0.929 219 Q CB 0.824 29.178 28.738 -0.640 0.000 1.037 219 Q HN 0.364 nan 8.270 nan 0.000 0.511 220 G N 0.262 109.014 108.800 -0.080 0.000 2.756 220 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.678 220 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.678 220 G C -0.873 174.055 174.900 0.047 0.000 1.349 220 G CA -0.807 44.308 45.100 0.024 0.000 0.847 220 G HN 0.061 nan 8.290 nan 0.000 0.548 221 I N 1.084 121.668 120.570 0.022 0.000 2.342 221 I HA 0.438 4.608 4.170 -0.000 0.000 0.291 221 I C 0.654 176.789 176.117 0.031 0.000 1.010 221 I CA 0.057 61.355 61.300 -0.003 0.000 1.308 221 I CB 1.078 39.044 38.000 -0.056 0.000 1.400 221 I HN 0.465 nan 8.210 nan 0.000 0.488 222 K N 5.898 126.316 120.400 0.030 0.000 2.468 222 K HA 0.511 4.831 4.320 -0.000 0.000 0.252 222 K C -0.932 175.647 176.600 -0.035 0.000 0.932 222 K CA -0.870 55.372 56.287 -0.075 0.000 0.794 222 K CB 2.669 34.978 32.500 -0.319 0.000 1.241 222 K HN 0.475 nan 8.250 nan 0.000 0.428 223 N N 2.071 120.752 118.700 -0.031 0.000 2.469 223 N HA 0.573 5.313 4.740 -0.000 0.000 0.286 223 N C -0.993 174.513 175.510 -0.006 0.000 1.275 223 N CA -0.671 52.382 53.050 0.004 0.000 0.790 223 N CB 1.607 40.106 38.487 0.020 0.000 1.446 223 N HN 0.293 nan 8.380 nan 0.000 0.501 224 L N 0.514 121.749 121.223 0.020 0.000 2.362 224 L HA 0.449 4.789 4.340 -0.000 0.000 0.271 224 L C 0.730 177.618 176.870 0.029 0.000 1.002 224 L CA -0.833 54.018 54.840 0.018 0.000 0.818 224 L CB 1.921 44.000 42.059 0.033 0.000 1.298 224 L HN 0.628 nan 8.230 nan 0.000 0.420 225 S N -0.577 115.137 115.700 0.022 0.000 2.624 225 S HA 0.124 4.594 4.470 -0.000 0.000 0.263 225 S C 0.505 175.128 174.600 0.038 0.000 1.287 225 S CA -0.567 57.650 58.200 0.030 0.000 0.990 225 S CB 1.121 64.334 63.200 0.022 0.000 0.950 225 S HN 0.622 nan 8.310 nan 0.000 0.561 226 D N 1.313 121.740 120.400 0.046 0.000 2.123 226 D HA -0.080 4.560 4.640 -0.000 0.000 0.196 226 D C 2.213 178.536 176.300 0.037 0.000 0.992 226 D CA 1.959 55.988 54.000 0.049 0.000 0.833 226 D CB -0.890 39.944 40.800 0.057 0.000 0.954 226 D HN 0.705 nan 8.370 nan 0.000 0.455 227 A N 0.782 123.620 122.820 0.031 0.000 1.902 227 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 227 A C 2.094 179.690 177.584 0.020 0.000 1.181 227 A CA 1.551 53.602 52.037 0.024 0.000 0.623 227 A CB -0.518 18.494 19.000 0.020 0.000 0.818 227 A HN 0.213 nan 8.150 nan 0.000 0.443 228 E N -0.274 119.937 120.200 0.019 0.000 2.072 228 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 228 E C 2.296 178.909 176.600 0.021 0.000 0.985 228 E CA 0.913 57.322 56.400 0.014 0.000 0.801 228 E CB -0.271 29.434 29.700 0.008 0.000 0.750 228 E HN 0.615 nan 8.360 nan 0.000 0.452 229 A N 1.120 123.958 122.820 0.030 0.000 1.898 229 A HA -0.087 4.232 4.320 -0.000 0.000 0.216 229 A C 2.423 180.025 177.584 0.030 0.000 1.181 229 A CA 1.631 53.690 52.037 0.037 0.000 0.620 229 A CB -1.157 17.868 19.000 0.043 0.000 0.819 229 A HN 0.362 nan 8.150 nan 0.000 0.442 230 G N -0.264 108.552 108.800 0.027 0.000 2.446 230 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 230 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 230 G C 1.485 176.396 174.900 0.019 0.000 1.168 230 G CA 1.211 46.325 45.100 0.023 0.000 0.771 230 G HN 0.704 nan 8.290 nan 0.000 0.551 231 E N -0.231 119.979 120.200 0.018 0.000 2.085 231 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 231 E C 2.383 178.992 176.600 0.015 0.000 0.994 231 E CA 1.050 57.458 56.400 0.014 0.000 0.801 231 E CB -0.236 29.470 29.700 0.011 0.000 0.743 231 E HN 0.310 nan 8.360 nan 0.000 0.453 232 L N 0.625 121.860 121.223 0.019 0.000 2.017 232 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 232 L C 2.339 179.225 176.870 0.025 0.000 1.073 232 L CA 1.395 56.249 54.840 0.023 0.000 0.745 232 L CB -0.606 41.472 42.059 0.033 0.000 0.894 232 L HN 0.074 nan 8.230 nan 0.000 0.432 233 V N 0.296 120.225 119.914 0.025 0.000 2.332 233 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 233 V C 2.649 178.754 176.094 0.018 0.000 1.055 233 V CA 1.810 64.122 62.300 0.021 0.000 1.038 233 V CB -1.691 30.142 31.823 0.017 0.000 0.651 233 V HN 0.647 nan 8.190 nan 0.000 0.450 234 G N -0.366 108.443 108.800 0.016 0.000 2.475 234 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 234 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 234 G C 1.378 176.286 174.900 0.013 0.000 1.125 234 G CA 1.411 46.519 45.100 0.014 0.000 0.755 234 G HN 0.646 nan 8.290 nan 0.000 0.565 235 N N -0.864 117.844 118.700 0.015 0.000 2.402 235 N HA 0.114 4.854 4.740 -0.000 0.000 0.174 235 N C -0.506 175.014 175.510 0.016 0.000 1.027 235 N CA 0.436 53.495 53.050 0.014 0.000 0.891 235 N CB 0.488 38.983 38.487 0.012 0.000 1.016 235 N HN 0.102 nan 8.380 nan 0.000 0.439 236 D N -0.823 119.589 120.400 0.020 0.000 2.452 236 D HA 0.237 4.877 4.640 -0.000 0.000 0.226 236 D C -0.299 176.018 176.300 0.028 0.000 1.366 236 D CA -0.363 53.651 54.000 0.024 0.000 0.986 236 D CB 0.857 41.673 40.800 0.027 0.000 1.420 236 D HN -0.248 nan 8.370 nan 0.000 0.583 237 R N 1.142 121.656 120.500 0.023 0.000 2.307 237 R HA 0.122 4.462 4.340 -0.000 0.000 0.199 237 R C 0.574 176.891 176.300 0.028 0.000 1.000 237 R CA 0.760 56.873 56.100 0.021 0.000 1.023 237 R CB 0.345 30.655 30.300 0.017 0.000 0.908 237 R HN 0.305 nan 8.270 nan 0.000 0.473 238 E N -0.974 119.248 120.200 0.038 0.000 2.685 238 E HA 0.086 4.436 4.350 -0.000 0.000 0.208 238 E C 0.700 177.344 176.600 0.074 0.000 0.996 238 E CA 0.185 56.616 56.400 0.051 0.000 1.054 238 E CB 0.642 30.363 29.700 0.035 0.000 1.075 238 E HN 0.202 nan 8.360 nan 0.000 0.460 239 S N 0.181 115.936 115.700 0.092 0.000 2.383 239 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 239 S C 1.678 176.328 174.600 0.082 0.000 1.030 239 S CA 1.052 59.313 58.200 0.102 0.000 1.002 239 S CB -0.545 62.741 63.200 0.143 0.000 0.829 239 S HN 0.471 nan 8.310 nan 0.000 0.467 240 H N 0.223 119.219 119.070 -0.123 0.000 2.465 240 H HA 0.097 4.653 4.556 -0.000 0.000 0.289 240 H C 2.479 177.777 175.328 -0.050 0.000 1.022 240 H CA 1.182 57.066 56.048 -0.273 0.000 1.340 240 H CB -0.027 29.270 29.762 -0.775 0.000 1.437 240 H HN 0.479 nan 8.280 nan 0.000 0.539 241 Q N 2.050 121.972 119.800 0.202 0.000 2.050 241 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 241 Q C 2.340 178.434 176.000 0.157 0.000 0.980 241 Q CA 1.476 57.419 55.803 0.233 0.000 0.840 241 Q CB -0.135 28.713 28.738 0.183 0.000 0.898 241 Q HN 0.213 nan 8.270 nan 0.000 0.424 242 R N -0.151 120.409 120.500 0.100 0.000 2.083 242 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 242 R C 1.896 178.235 176.300 0.065 0.000 1.137 242 R CA 2.032 58.175 56.100 0.072 0.000 0.951 242 R CB -0.535 29.793 30.300 0.046 0.000 0.851 242 R HN 0.555 nan 8.270 nan 0.000 0.434 243 D N -0.325 120.095 120.400 0.035 0.000 2.097 243 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 243 D C 1.915 178.260 176.300 0.075 0.000 0.989 243 D CA 1.113 55.123 54.000 0.016 0.000 0.827 243 D CB -0.030 40.727 40.800 -0.073 0.000 0.966 243 D HN 0.177 nan 8.370 nan 0.000 0.456 244 L N 0.019 121.322 121.223 0.133 0.000 1.994 244 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 244 L C 2.216 179.202 176.870 0.194 0.000 1.071 244 L CA 1.436 56.399 54.840 0.204 0.000 0.745 244 L CB -1.009 41.245 42.059 0.324 0.000 0.892 244 L HN 0.278 nan 8.230 nan 0.000 0.431 245 L N -0.325 121.009 121.223 0.185 0.000 1.971 245 L HA -0.271 4.069 4.340 -0.000 0.000 0.215 245 L C 2.107 179.062 176.870 0.142 0.000 1.072 245 L CA 2.265 57.208 54.840 0.171 0.000 0.758 245 L CB -0.932 41.220 42.059 0.156 0.000 0.889 245 L HN 0.327 nan 8.230 nan 0.000 0.433 246 D N -0.930 119.535 120.400 0.109 0.000 2.123 246 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 246 D C 2.333 178.678 176.300 0.075 0.000 0.992 246 D CA 1.511 55.559 54.000 0.081 0.000 0.833 246 D CB -0.201 40.632 40.800 0.055 0.000 0.954 246 D HN 0.356 nan 8.370 nan 0.000 0.455 247 S N 0.107 115.856 115.700 0.082 0.000 2.368 247 S HA -0.082 4.388 4.470 -0.000 0.000 0.225 247 S C 2.163 176.817 174.600 0.091 0.000 1.030 247 S CA 0.542 58.781 58.200 0.066 0.000 0.999 247 S CB -0.101 63.143 63.200 0.073 0.000 0.844 247 S HN 0.271 nan 8.310 nan 0.000 0.459 248 I N 1.449 122.132 120.570 0.187 0.000 2.286 248 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 248 I C 1.900 178.181 176.117 0.274 0.000 1.104 248 I CA 1.008 62.503 61.300 0.325 0.000 1.397 248 I CB -0.334 37.877 38.000 0.352 0.000 1.072 248 I HN 0.143 nan 8.210 nan 0.000 0.417 249 D N 0.867 121.375 120.400 0.179 0.000 2.178 249 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 249 D C 1.518 177.862 176.300 0.074 0.000 0.980 249 D CA 1.270 55.353 54.000 0.137 0.000 0.842 249 D CB -0.456 40.409 40.800 0.109 0.000 0.948 249 D HN 0.405 nan 8.370 nan 0.000 0.472 250 N N 0.333 119.048 118.700 0.024 0.000 2.461 250 N HA 0.001 4.741 4.740 -0.000 0.000 0.188 250 N C -0.241 175.179 175.510 -0.149 0.000 1.134 250 N CA -0.045 52.982 53.050 -0.038 0.000 0.878 250 N CB 0.241 38.708 38.487 -0.034 0.000 0.972 250 N HN 0.060 nan 8.380 nan 0.000 0.456 251 Q N -0.106 119.544 119.800 -0.250 0.000 2.494 251 Q HA -0.173 4.167 4.340 -0.000 0.000 0.272 251 Q C -1.266 174.143 176.000 -0.984 0.000 1.145 251 Q CA 0.529 55.831 55.803 -0.835 0.000 0.943 251 Q CB -1.301 27.137 28.738 -0.501 0.000 1.338 251 Q HN 0.447 nan 8.270 nan 0.000 0.492 252 D N 0.791 120.879 120.400 -0.519 0.000 2.564 252 D HA 0.192 4.832 4.640 -0.000 0.000 0.226 252 D C -0.182 176.029 176.300 -0.148 0.000 1.149 252 D CA -0.024 53.790 54.000 -0.309 0.000 0.994 252 D CB -0.390 40.328 40.800 -0.137 0.000 1.029 252 D HN 0.162 nan 8.370 nan 0.000 0.517 253 F N 3.020 122.992 119.950 0.037 0.000 2.506 253 F HA 0.177 4.704 4.527 -0.000 0.000 0.371 253 F C -1.277 174.534 175.800 0.018 0.000 1.078 253 F CA -1.907 56.131 58.000 0.063 0.000 1.195 253 F CB 0.485 39.539 39.000 0.090 0.000 1.099 253 F HN 0.012 nan 8.300 nan 0.000 0.548 254 P HA 0.209 nan 4.420 nan 0.000 0.275 254 P C -1.199 176.074 177.300 -0.046 0.000 1.227 254 P CA -0.459 62.613 63.100 -0.047 0.000 0.781 254 P CB 1.345 33.035 31.700 -0.016 0.000 0.906 255 K N 1.913 122.086 120.400 -0.378 0.000 2.426 255 K HA 0.541 4.861 4.320 -0.000 0.000 0.251 255 K C -0.859 175.418 176.600 -0.537 0.000 0.941 255 K CA -0.498 55.638 56.287 -0.251 0.000 0.808 255 K CB 2.352 34.789 32.500 -0.105 0.000 1.265 255 K HN 0.526 nan 8.250 nan 0.000 0.432 256 W N 0.794 121.848 121.300 -0.410 0.000 2.936 256 W HA 0.260 4.920 4.660 -0.000 0.000 0.338 256 W C -0.653 175.850 176.519 -0.026 0.000 1.121 256 W CA -0.743 56.487 57.345 -0.192 0.000 1.209 256 W CB 2.509 31.889 29.460 -0.133 0.000 1.420 256 W HN 0.386 nan 8.180 nan 0.000 0.516 257 T N 3.525 118.243 114.554 0.273 0.000 2.744 257 T HA 0.196 4.546 4.350 -0.000 0.000 0.291 257 T C -0.310 174.541 174.700 0.252 0.000 0.957 257 T CA -0.519 61.720 62.100 0.231 0.000 1.002 257 T CB 0.810 69.738 68.868 0.100 0.000 0.919 257 T HN 0.169 nan 8.240 nan 0.000 0.468 258 L N 4.968 126.391 121.223 0.334 0.000 2.361 258 L HA 0.392 4.732 4.340 -0.000 0.000 0.278 258 L C -0.169 176.703 176.870 0.003 0.000 1.113 258 L CA 0.468 55.365 54.840 0.095 0.000 0.849 258 L CB -0.294 41.971 42.059 0.343 0.000 1.155 258 L HN 0.503 nan 8.230 nan 0.000 0.452 259 K N 4.459 124.788 120.400 -0.118 0.000 2.385 259 K HA 0.785 5.104 4.320 -0.000 0.000 0.248 259 K C -1.298 175.231 176.600 -0.118 0.000 0.955 259 K CA -0.954 55.255 56.287 -0.131 0.000 0.816 259 K CB 2.516 34.906 32.500 -0.183 0.000 1.250 259 K HN 0.491 nan 8.250 nan 0.000 0.434 260 V N -1.378 118.454 119.914 -0.136 0.000 2.914 260 V HA 0.482 4.601 4.120 -0.000 0.000 0.314 260 V C -1.024 174.964 176.094 -0.176 0.000 1.084 260 V CA -1.017 61.197 62.300 -0.143 0.000 0.963 260 V CB 1.761 33.481 31.823 -0.171 0.000 1.025 260 V HN 0.710 nan 8.190 nan 0.000 0.432 261 Q N 2.565 122.284 119.800 -0.136 0.000 2.256 261 Q HA 0.720 5.059 4.340 -0.000 0.000 0.257 261 Q C -1.163 174.849 176.000 0.020 0.000 0.936 261 Q CA -0.429 55.370 55.803 -0.007 0.000 0.903 261 Q CB 2.568 31.409 28.738 0.173 0.000 1.263 261 Q HN 0.764 nan 8.270 nan 0.000 0.440 262 I N 2.752 123.342 120.570 0.034 0.000 2.418 262 I HA 0.359 4.529 4.170 -0.000 0.000 0.287 262 I C -0.775 175.375 176.117 0.055 0.000 1.008 262 I CA -0.399 60.870 61.300 -0.051 0.000 1.104 262 I CB 1.534 39.258 38.000 -0.460 0.000 1.264 262 I HN 0.483 nan 8.210 nan 0.000 0.438 263 M N 9.027 128.663 119.600 0.061 0.000 2.125 263 M HA 0.530 5.009 4.480 -0.000 0.000 0.321 263 M C -2.649 173.738 176.300 0.145 0.000 0.983 263 M CA -1.671 53.553 55.300 -0.126 0.000 0.934 263 M CB 1.895 34.029 32.600 -0.777 0.000 1.542 263 M HN 0.119 nan 8.290 nan 0.000 0.424 264 P HA -0.023 nan 4.420 nan 0.000 0.265 264 P C 0.015 177.303 177.300 -0.021 0.000 1.187 264 P CA 0.348 63.505 63.100 0.094 0.000 0.766 264 P CB 0.468 32.246 31.700 0.131 0.000 0.820 265 E N 2.731 122.802 120.200 -0.215 0.000 2.130 265 E HA -0.284 4.066 4.350 -0.000 0.000 0.196 265 E C 1.711 178.362 176.600 0.085 0.000 0.998 265 E CA 1.606 57.901 56.400 -0.175 0.000 0.806 265 E CB -0.232 29.269 29.700 -0.332 0.000 0.738 265 E HN 0.520 nan 8.360 nan 0.000 0.459 266 A N 0.860 123.689 122.820 0.015 0.000 2.015 266 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 266 A C 1.570 179.176 177.584 0.035 0.000 1.163 266 A CA 1.488 53.544 52.037 0.033 0.000 0.646 266 A CB -0.223 18.779 19.000 0.003 0.000 0.806 266 A HN 0.190 nan 8.150 nan 0.000 0.448 267 D N 0.366 120.787 120.400 0.036 0.000 2.178 267 D HA -0.048 4.592 4.640 -0.000 0.000 0.201 267 D C 2.155 178.404 176.300 -0.085 0.000 0.980 267 D CA 1.309 55.306 54.000 -0.006 0.000 0.842 267 D CB -0.335 40.486 40.800 0.035 0.000 0.948 267 D HN 0.425 nan 8.370 nan 0.000 0.472 268 A N 0.787 123.584 122.820 -0.039 0.000 1.986 268 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 268 A C 2.236 179.729 177.584 -0.152 0.000 1.171 268 A CA 2.136 54.071 52.037 -0.170 0.000 0.640 268 A CB -0.632 18.357 19.000 -0.019 0.000 0.811 268 A HN 0.254 nan 8.150 nan 0.000 0.451 269 A N -0.972 121.818 122.820 -0.050 0.000 2.119 269 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 269 A C 2.182 179.708 177.584 -0.096 0.000 1.152 269 A CA 1.991 53.997 52.037 -0.052 0.000 0.708 269 A CB -0.650 18.346 19.000 -0.008 0.000 0.805 269 A HN 0.723 nan 8.150 nan 0.000 0.460 270 T N -2.531 111.950 114.554 -0.122 0.000 3.000 270 T HA 0.253 4.603 4.350 -0.000 0.000 0.248 270 T C 0.686 175.264 174.700 -0.203 0.000 1.034 270 T CA 0.391 62.415 62.100 -0.127 0.000 1.060 270 T CB -1.255 67.562 68.868 -0.084 0.000 0.983 270 T HN 0.592 nan 8.240 nan 0.000 0.482 271 V N 1.671 121.396 119.914 -0.316 0.000 2.788 271 V HA 0.256 4.376 4.120 -0.000 0.000 0.307 271 V C -1.023 174.719 176.094 -0.586 0.000 1.069 271 V CA -1.275 60.687 62.300 -0.564 0.000 1.173 271 V CB 0.142 31.402 31.823 -0.938 0.000 0.925 271 V HN 0.143 nan 8.190 nan 0.000 0.492 272 P HA 0.091 nan 4.420 nan 0.000 0.242 272 P C -0.302 176.903 177.300 -0.158 0.000 1.197 272 P CA 0.766 63.715 63.100 -0.252 0.000 0.765 272 P CB -0.315 31.338 31.700 -0.078 0.000 0.936 273 Y N -2.183 118.082 120.300 -0.059 0.000 2.524 273 Y HA 0.619 5.169 4.550 -0.000 0.000 0.344 273 Y C 0.151 175.996 175.900 -0.092 0.000 1.012 273 Y CA -2.531 55.539 58.100 -0.051 0.000 1.068 273 Y CB -0.054 38.402 38.460 -0.007 0.000 1.249 273 Y HN -0.351 nan 8.280 nan 0.000 0.468 274 N N 4.175 122.924 118.700 0.081 0.000 2.438 274 N HA 0.123 4.863 4.740 -0.000 0.000 0.267 274 N C -1.795 173.721 175.510 0.011 0.000 1.222 274 N CA -2.229 50.817 53.050 -0.006 0.000 0.930 274 N CB 0.803 39.313 38.487 0.038 0.000 1.083 274 N HN 0.533 nan 8.380 nan 0.000 0.476 275 P HA -0.002 nan 4.420 nan 0.000 0.237 275 P C -0.005 177.122 177.300 -0.288 0.000 1.178 275 P CA 0.793 63.747 63.100 -0.243 0.000 0.766 275 P CB -0.002 31.204 31.700 -0.824 0.000 0.876 276 F N -0.581 119.391 119.950 0.036 0.000 2.639 276 F HA 0.258 4.784 4.527 -0.000 0.000 0.302 276 F C 0.736 176.538 175.800 0.003 0.000 1.097 276 F CA -1.135 56.840 58.000 -0.042 0.000 1.294 276 F CB -0.359 38.549 39.000 -0.154 0.000 1.027 276 F HN -0.168 nan 8.300 nan 0.000 0.550 277 D N 1.492 121.975 120.400 0.138 0.000 2.339 277 D HA 0.051 4.691 4.640 -0.000 0.000 0.241 277 D C 1.197 177.539 176.300 0.071 0.000 1.183 277 D CA -0.027 54.035 54.000 0.104 0.000 0.859 277 D CB 1.085 41.940 40.800 0.092 0.000 1.067 277 D HN 0.129 nan 8.370 nan 0.000 0.484 278 L N 4.129 125.391 121.223 0.064 0.000 2.353 278 L HA -0.087 4.253 4.340 -0.000 0.000 0.220 278 L C 2.041 178.903 176.870 -0.013 0.000 1.133 278 L CA 1.808 56.656 54.840 0.013 0.000 0.798 278 L CB -0.631 41.458 42.059 0.050 0.000 0.922 278 L HN 0.601 nan 8.230 nan 0.000 0.445 279 T N -4.320 110.249 114.554 0.026 0.000 3.129 279 T HA 0.110 4.459 4.350 -0.000 0.000 0.251 279 T C 0.697 175.464 174.700 0.112 0.000 1.117 279 T CA -0.090 62.027 62.100 0.029 0.000 1.034 279 T CB -0.170 68.735 68.868 0.061 0.000 0.968 279 T HN 0.217 nan 8.240 nan 0.000 0.526 280 K N 1.238 121.681 120.400 0.073 0.000 2.328 280 K HA 0.646 4.966 4.320 -0.000 0.000 0.246 280 K C -0.516 176.097 176.600 0.022 0.000 0.955 280 K CA -1.062 55.289 56.287 0.107 0.000 0.817 280 K CB 2.879 35.437 32.500 0.096 0.000 1.208 280 K HN 0.125 nan 8.250 nan 0.000 0.432 281 V N -1.870 118.064 119.914 0.034 0.000 3.096 281 V HA 0.563 4.683 4.120 -0.000 0.000 0.319 281 V C -1.036 175.084 176.094 0.044 0.000 1.082 281 V CA -0.873 61.415 62.300 -0.020 0.000 1.022 281 V CB 0.925 32.755 31.823 0.011 0.000 1.103 281 V HN 0.606 nan 8.190 nan 0.000 0.455 282 W N 0.949 122.182 121.300 -0.111 0.000 2.335 282 W HA 0.571 5.231 4.660 -0.000 0.000 0.307 282 W C -2.479 174.042 176.519 0.003 0.000 1.117 282 W CA -2.887 54.360 57.345 -0.164 0.000 1.228 282 W CB -0.155 29.320 29.460 0.026 0.000 1.240 282 W HN 0.431 nan 8.180 nan 0.000 0.468 283 P HA -0.079 nan 4.420 nan 0.000 0.262 283 P C 0.757 178.247 177.300 0.318 0.000 1.182 283 P CA 0.601 63.791 63.100 0.151 0.000 0.761 283 P CB 0.612 32.344 31.700 0.052 0.000 0.795 284 H N 2.093 121.213 119.070 0.083 0.000 2.457 284 H HA -0.140 4.416 4.556 -0.000 0.000 0.297 284 H C 1.793 177.137 175.328 0.027 0.000 1.092 284 H CA 1.437 57.521 56.048 0.060 0.000 1.309 284 H CB -0.206 29.566 29.762 0.016 0.000 1.382 284 H HN 0.409 nan 8.280 nan 0.000 0.535 285 K N 0.247 120.729 120.400 0.137 0.000 2.063 285 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 285 K C 1.370 177.952 176.600 -0.031 0.000 1.048 285 K CA 1.785 58.098 56.287 0.043 0.000 0.928 285 K CB 0.189 32.706 32.500 0.029 0.000 0.713 285 K HN 0.200 nan 8.250 nan 0.000 0.442 286 D N -1.140 119.236 120.400 -0.041 0.000 2.137 286 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 286 D C -0.142 175.759 176.300 -0.665 0.000 0.970 286 D CA 1.212 55.027 54.000 -0.309 0.000 0.837 286 D CB 0.185 40.897 40.800 -0.146 0.000 0.981 286 D HN 0.200 nan 8.370 nan 0.000 0.475 287 Y N -0.100 120.253 120.300 0.088 0.000 2.535 287 Y HA 0.338 4.888 4.550 -0.000 0.000 0.341 287 Y C -2.377 173.518 175.900 -0.009 0.000 1.041 287 Y CA -2.540 55.601 58.100 0.067 0.000 1.307 287 Y CB 1.668 40.231 38.460 0.172 0.000 1.095 287 Y HN -0.197 nan 8.280 nan 0.000 0.534 288 P HA 0.010 nan 4.420 nan 0.000 0.269 288 P C -0.432 176.776 177.300 -0.154 0.000 1.215 288 P CA -0.282 62.776 63.100 -0.071 0.000 0.780 288 P CB 0.819 32.490 31.700 -0.047 0.000 0.898 289 L N 3.240 124.294 121.223 -0.281 0.000 2.455 289 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 289 L C 0.461 177.210 176.870 -0.202 0.000 1.174 289 L CA 0.449 55.093 54.840 -0.326 0.000 0.869 289 L CB -0.900 40.918 42.059 -0.402 0.000 1.130 289 L HN 0.291 nan 8.230 nan 0.000 0.474 290 I N 3.013 123.471 120.570 -0.187 0.000 2.362 290 I HA 0.228 4.398 4.170 -0.000 0.000 0.289 290 I C 0.485 176.494 176.117 -0.180 0.000 0.994 290 I CA -0.644 60.564 61.300 -0.153 0.000 1.158 290 I CB 1.473 39.401 38.000 -0.119 0.000 1.315 290 I HN 0.587 nan 8.210 nan 0.000 0.451 291 E N 4.206 124.249 120.200 -0.261 0.000 2.392 291 E HA 0.166 4.516 4.350 -0.000 0.000 0.264 291 E C -0.073 176.374 176.600 -0.256 0.000 1.024 291 E CA -0.042 56.154 56.400 -0.341 0.000 0.903 291 E CB 1.203 30.524 29.700 -0.633 0.000 0.963 291 E HN 0.473 nan 8.360 nan 0.000 0.432 292 V N 2.375 122.247 119.914 -0.070 0.000 3.029 292 V HA 0.426 4.546 4.120 -0.000 0.000 0.230 292 V C 0.680 176.913 176.094 0.231 0.000 1.254 292 V CA 0.510 62.850 62.300 0.066 0.000 1.276 292 V CB 0.755 32.578 31.823 -0.001 0.000 1.080 292 V HN 0.812 nan 8.190 nan 0.000 0.495 293 G N 0.377 109.337 108.800 0.266 0.000 2.427 293 G HA2 0.566 4.526 3.960 -0.000 0.000 0.306 293 G HA3 0.566 4.526 3.960 -0.000 0.000 0.306 293 G C -1.957 173.068 174.900 0.208 0.000 1.280 293 G CA 0.050 45.231 45.100 0.134 0.000 0.837 293 G HN 0.410 nan 8.290 nan 0.000 0.482 294 E N -1.531 118.690 120.200 0.036 0.000 2.413 294 E HA 0.726 5.076 4.350 -0.000 0.000 0.277 294 E C -1.485 175.347 176.600 0.386 0.000 0.958 294 E CA -1.123 55.435 56.400 0.264 0.000 0.779 294 E CB 2.527 32.312 29.700 0.141 0.000 1.278 294 E HN 1.007 nan 8.360 nan 0.000 0.456 295 F N -0.663 119.592 119.950 0.509 0.000 2.577 295 F HA 0.715 5.242 4.527 -0.000 0.000 0.318 295 F C -1.040 175.007 175.800 0.412 0.000 1.065 295 F CA -0.927 57.359 58.000 0.477 0.000 0.929 295 F CB 1.745 41.109 39.000 0.608 0.000 1.237 295 F HN 0.621 nan 8.300 nan 0.000 0.468 296 E N 2.849 123.352 120.200 0.506 0.000 2.288 296 E HA 0.630 4.980 4.350 -0.000 0.000 0.268 296 E C -1.919 174.935 176.600 0.424 0.000 0.885 296 E CA -1.032 55.597 56.400 0.381 0.000 0.767 296 E CB 2.581 32.423 29.700 0.237 0.000 1.220 296 E HN 0.800 nan 8.360 nan 0.000 0.427 297 L N 3.246 124.712 121.223 0.405 0.000 2.265 297 L HA 0.361 4.701 4.340 -0.000 0.000 0.289 297 L C -0.263 176.678 176.870 0.118 0.000 1.033 297 L CA -0.659 54.352 54.840 0.286 0.000 0.814 297 L CB 0.500 42.776 42.059 0.361 0.000 1.203 297 L HN 0.713 nan 8.230 nan 0.000 0.423 298 N N 1.863 120.500 118.700 -0.105 0.000 2.184 298 N HA 0.152 4.892 4.740 -0.000 0.000 0.234 298 N C -0.081 175.276 175.510 -0.255 0.000 1.282 298 N CA -0.546 52.111 53.050 -0.653 0.000 0.877 298 N CB 0.686 38.464 38.487 -1.182 0.000 1.184 298 N HN 0.425 nan 8.380 nan 0.000 0.510 299 R N 0.207 120.734 120.500 0.047 0.000 2.512 299 R HA 0.321 4.661 4.340 -0.000 0.000 0.291 299 R C -1.524 174.939 176.300 0.272 0.000 1.097 299 R CA -0.460 55.731 56.100 0.152 0.000 0.940 299 R CB 0.896 31.278 30.300 0.136 0.000 1.198 299 R HN 0.183 nan 8.270 nan 0.000 0.429 300 N N 4.242 123.091 118.700 0.247 0.000 2.530 300 N HA 0.211 4.951 4.740 -0.000 0.000 0.273 300 N C -2.380 173.317 175.510 0.312 0.000 1.173 300 N CA -1.292 51.916 53.050 0.264 0.000 0.967 300 N CB 0.821 39.441 38.487 0.221 0.000 1.109 300 N HN 0.250 nan 8.380 nan 0.000 0.453 301 P HA -0.019 nan 4.420 nan 0.000 0.267 301 P C -0.105 177.339 177.300 0.239 0.000 1.200 301 P CA 0.093 63.416 63.100 0.372 0.000 0.772 301 P CB 0.679 32.564 31.700 0.309 0.000 0.855 302 Q N 0.787 120.695 119.800 0.180 0.000 2.096 302 Q HA -0.036 4.304 4.340 -0.000 0.000 0.197 302 Q C 0.625 176.714 176.000 0.148 0.000 0.964 302 Q CA 0.985 56.868 55.803 0.133 0.000 0.838 302 Q CB 0.075 28.863 28.738 0.083 0.000 0.906 302 Q HN 0.458 nan 8.270 nan 0.000 0.444 303 N N -0.815 117.979 118.700 0.156 0.000 2.448 303 N HA 0.011 4.750 4.740 -0.000 0.000 0.279 303 N C -0.570 175.067 175.510 0.211 0.000 1.025 303 N CA -0.101 53.058 53.050 0.182 0.000 0.898 303 N CB 1.031 39.612 38.487 0.156 0.000 1.303 303 N HN 0.068 nan 8.380 nan 0.000 0.495 304 Y N 4.859 125.247 120.300 0.147 0.000 2.145 304 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 304 Y C 1.745 177.725 175.900 0.132 0.000 1.145 304 Y CA 1.761 59.946 58.100 0.141 0.000 1.148 304 Y CB -0.218 38.329 38.460 0.145 0.000 0.981 304 Y HN 0.659 nan 8.280 nan 0.000 0.507 305 F N 0.509 120.599 119.950 0.234 0.000 2.069 305 F HA -0.206 4.320 4.527 -0.000 0.000 0.298 305 F C 2.346 178.134 175.800 -0.020 0.000 1.113 305 F CA 2.091 60.160 58.000 0.116 0.000 1.214 305 F CB -0.911 38.160 39.000 0.120 0.000 0.978 305 F HN 0.058 nan 8.300 nan 0.000 0.474 306 A N -0.484 122.398 122.820 0.104 0.000 1.969 306 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 306 A C 2.036 179.503 177.584 -0.196 0.000 1.169 306 A CA 1.919 53.940 52.037 -0.027 0.000 0.635 306 A CB -0.618 18.453 19.000 0.118 0.000 0.810 306 A HN 0.619 nan 8.150 nan 0.000 0.445 307 E N -1.326 118.758 120.200 -0.192 0.000 2.244 307 E HA 0.079 4.429 4.350 -0.000 0.000 0.196 307 E C 1.697 178.023 176.600 -0.456 0.000 0.939 307 E CA 0.678 56.903 56.400 -0.292 0.000 0.884 307 E CB 0.290 29.921 29.700 -0.115 0.000 0.850 307 E HN 0.374 nan 8.360 nan 0.000 0.481 308 V N 0.770 120.425 119.914 -0.431 0.000 2.490 308 V HA -0.076 4.044 4.120 -0.000 0.000 0.238 308 V C 2.147 177.967 176.094 -0.456 0.000 1.056 308 V CA 1.194 63.230 62.300 -0.440 0.000 1.075 308 V CB -0.127 31.211 31.823 -0.808 0.000 0.746 308 V HN 0.055 nan 8.190 nan 0.000 0.479 309 E N 0.874 120.723 120.200 -0.584 0.000 2.118 309 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 309 E C 2.129 178.494 176.600 -0.392 0.000 0.992 309 E CA 1.621 57.801 56.400 -0.366 0.000 0.804 309 E CB -0.212 29.331 29.700 -0.260 0.000 0.741 309 E HN 0.603 nan 8.360 nan 0.000 0.458 310 Q N -0.414 119.070 119.800 -0.527 0.000 2.444 310 Q HA 0.236 4.575 4.340 -0.000 0.000 0.206 310 Q C -0.123 175.677 176.000 -0.332 0.000 0.948 310 Q CA 0.205 55.739 55.803 -0.448 0.000 0.946 310 Q CB 0.394 28.834 28.738 -0.497 0.000 1.027 310 Q HN 0.227 nan 8.270 nan 0.000 0.513 311 A N 1.005 123.627 122.820 -0.330 0.000 2.511 311 A HA 0.455 4.775 4.320 -0.000 0.000 0.242 311 A C -0.188 177.232 177.584 -0.273 0.000 1.069 311 A CA 0.232 52.052 52.037 -0.361 0.000 0.763 311 A CB 0.265 19.099 19.000 -0.277 0.000 1.001 311 A HN 0.259 nan 8.150 nan 0.000 0.498 312 A N 2.303 124.902 122.820 -0.369 0.000 2.357 312 A HA 0.687 5.007 4.320 -0.000 0.000 0.295 312 A C -1.025 176.366 177.584 -0.322 0.000 1.121 312 A CA -0.400 51.504 52.037 -0.222 0.000 0.742 312 A CB 0.425 19.329 19.000 -0.160 0.000 1.181 312 A HN 0.653 nan 8.150 nan 0.000 0.454 313 F N 1.872 121.774 119.950 -0.080 0.000 2.402 313 F HA 0.415 4.942 4.527 -0.000 0.000 0.355 313 F C 0.558 176.296 175.800 -0.103 0.000 1.123 313 F CA -0.278 57.642 58.000 -0.132 0.000 1.021 313 F CB 1.834 40.710 39.000 -0.208 0.000 1.160 313 F HN 0.683 nan 8.300 nan 0.000 0.451 314 N N 5.034 123.744 118.700 0.016 0.000 2.483 314 N HA 0.318 5.058 4.740 -0.000 0.000 0.267 314 N C -2.254 173.188 175.510 -0.114 0.000 0.998 314 N CA -2.015 51.001 53.050 -0.057 0.000 0.918 314 N CB 2.015 40.523 38.487 0.034 0.000 1.215 314 N HN 0.156 nan 8.380 nan 0.000 0.500 315 P HA -0.094 nan 4.420 nan 0.000 0.221 315 P C 0.717 178.098 177.300 0.135 0.000 1.145 315 P CA 0.779 63.817 63.100 -0.104 0.000 0.795 315 P CB 0.225 31.761 31.700 -0.274 0.000 0.775 316 A N -0.849 122.002 122.820 0.052 0.000 2.168 316 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 316 A C 1.046 178.823 177.584 0.320 0.000 1.152 316 A CA 0.603 52.751 52.037 0.186 0.000 0.716 316 A CB -1.334 17.690 19.000 0.040 0.000 0.794 316 A HN 0.270 nan 8.150 nan 0.000 0.465 317 N N 0.232 119.058 118.700 0.210 0.000 2.739 317 N HA 0.328 5.068 4.740 -0.000 0.000 0.266 317 N C -0.738 174.930 175.510 0.262 0.000 1.168 317 N CA -0.335 52.824 53.050 0.182 0.000 1.055 317 N CB 0.740 39.285 38.487 0.097 0.000 1.393 317 N HN 0.150 nan 8.380 nan 0.000 0.514 318 V N 1.525 121.578 119.914 0.232 0.000 3.096 318 V HA 0.504 4.623 4.120 -0.000 0.000 0.319 318 V C 0.076 176.159 176.094 -0.019 0.000 1.082 318 V CA -0.654 61.720 62.300 0.123 0.000 1.022 318 V CB 2.028 33.849 31.823 -0.003 0.000 1.103 318 V HN 0.215 nan 8.190 nan 0.000 0.455 319 V N 0.880 120.685 119.914 -0.182 0.000 3.001 319 V HA 0.710 4.829 4.120 -0.000 0.000 0.314 319 V C -2.803 173.179 176.094 -0.187 0.000 1.099 319 V CA -2.917 59.273 62.300 -0.184 0.000 0.989 319 V CB 1.446 33.142 31.823 -0.213 0.000 1.040 319 V HN 0.714 nan 8.190 nan 0.000 0.434 320 P HA 0.272 nan 4.420 nan 0.000 0.260 320 P C 0.979 178.246 177.300 -0.055 0.000 1.172 320 P CA 2.070 65.154 63.100 -0.026 0.000 0.760 320 P CB 0.457 32.226 31.700 0.115 0.000 0.773 321 G N 2.426 111.210 108.800 -0.027 0.000 2.213 321 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.236 321 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.236 321 G C -0.014 174.902 174.900 0.027 0.000 0.991 321 G CA -0.303 44.779 45.100 -0.029 0.000 0.629 321 G HN 0.499 nan 8.290 nan 0.000 0.517 322 I N 0.799 121.344 120.570 -0.041 0.000 2.498 322 I HA 0.719 4.889 4.170 -0.000 0.000 0.290 322 I C 0.116 176.188 176.117 -0.075 0.000 1.032 322 I CA -0.650 60.665 61.300 0.024 0.000 1.073 322 I CB 2.131 39.965 38.000 -0.275 0.000 1.251 322 I HN 0.144 nan 8.210 nan 0.000 0.426 323 S N 3.667 119.373 115.700 0.010 0.000 2.973 323 S HA 0.704 5.174 4.470 -0.000 0.000 0.317 323 S C -0.903 173.708 174.600 0.019 0.000 1.196 323 S CA -0.405 57.637 58.200 -0.263 0.000 0.894 323 S CB 0.922 63.987 63.200 -0.225 0.000 1.292 323 S HN 0.299 nan 8.310 nan 0.000 0.614 324 F N 1.768 121.906 119.950 0.313 0.000 2.363 324 F HA 0.793 5.320 4.527 -0.000 0.000 0.332 324 F C 0.978 176.929 175.800 0.251 0.000 1.039 324 F CA -0.228 57.921 58.000 0.249 0.000 1.127 324 F CB 0.149 39.215 39.000 0.110 0.000 1.701 324 F HN 0.641 nan 8.300 nan 0.000 0.532 325 S N -1.006 114.854 115.700 0.267 0.000 2.596 325 S HA 0.471 4.940 4.470 -0.000 0.000 0.270 325 S C -2.787 171.672 174.600 -0.235 0.000 1.155 325 S CA -1.116 57.094 58.200 0.017 0.000 0.827 325 S CB 1.688 64.839 63.200 -0.081 0.000 1.130 325 S HN 0.258 nan 8.310 nan 0.000 0.467 326 P HA 0.139 nan 4.420 nan 0.000 0.256 326 P C -0.303 176.758 177.300 -0.397 0.000 1.335 326 P CA 0.142 62.934 63.100 -0.514 0.000 0.808 326 P CB -0.683 30.617 31.700 -0.666 0.000 1.305 327 D N 1.301 121.530 120.400 -0.285 0.000 2.451 327 D HA -0.053 4.587 4.640 -0.000 0.000 0.254 327 D C 1.078 177.322 176.300 -0.094 0.000 1.204 327 D CA 0.348 54.309 54.000 -0.065 0.000 0.896 327 D CB 0.782 41.591 40.800 0.016 0.000 1.136 327 D HN 0.035 nan 8.370 nan 0.000 0.499 328 K N 3.576 123.957 120.400 -0.030 0.000 2.147 328 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 328 K C 1.923 178.516 176.600 -0.011 0.000 1.049 328 K CA 0.777 57.053 56.287 -0.018 0.000 0.936 328 K CB 0.038 32.559 32.500 0.036 0.000 0.722 328 K HN 0.507 nan 8.250 nan 0.000 0.446 329 M N 0.516 120.135 119.600 0.032 0.000 2.117 329 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 329 M C 2.315 178.568 176.300 -0.078 0.000 1.065 329 M CA 1.187 56.532 55.300 0.075 0.000 1.114 329 M CB -0.761 31.974 32.600 0.224 0.000 1.361 329 M HN 0.165 nan 8.290 nan 0.000 0.408 330 L N 0.895 121.906 121.223 -0.353 0.000 2.056 330 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 330 L C 2.463 179.104 176.870 -0.382 0.000 1.078 330 L CA 1.749 56.153 54.840 -0.727 0.000 0.749 330 L CB -0.753 40.678 42.059 -1.047 0.000 0.901 330 L HN 0.274 nan 8.230 nan 0.000 0.433 331 Q N -0.008 119.637 119.800 -0.258 0.000 2.045 331 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 331 Q C 2.151 178.079 176.000 -0.119 0.000 0.991 331 Q CA 1.872 57.562 55.803 -0.189 0.000 0.851 331 Q CB -1.096 27.569 28.738 -0.121 0.000 0.911 331 Q HN 0.681 nan 8.270 nan 0.000 0.418 332 G N 0.978 109.742 108.800 -0.060 0.000 2.442 332 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 332 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 332 G C 1.520 176.441 174.900 0.035 0.000 1.141 332 G CA 0.626 45.737 45.100 0.019 0.000 0.763 332 G HN 0.288 nan 8.290 nan 0.000 0.554 333 R N -0.199 120.279 120.500 -0.037 0.000 2.148 333 R HA 0.124 4.464 4.340 -0.000 0.000 0.227 333 R C 2.432 178.737 176.300 0.008 0.000 1.103 333 R CA 0.452 56.574 56.100 0.037 0.000 0.983 333 R CB -0.344 29.922 30.300 -0.057 0.000 0.874 333 R HN 0.350 nan 8.270 nan 0.000 0.451 334 L N -0.309 120.846 121.223 -0.114 0.000 2.265 334 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 334 L C 2.074 178.950 176.870 0.010 0.000 1.117 334 L CA 0.947 55.688 54.840 -0.164 0.000 0.782 334 L CB -0.332 41.519 42.059 -0.347 0.000 0.914 334 L HN 0.173 nan 8.230 nan 0.000 0.441 335 F N 0.632 120.547 119.950 -0.058 0.000 2.243 335 F HA 0.141 4.668 4.527 -0.000 0.000 0.287 335 F C 2.440 178.247 175.800 0.012 0.000 1.067 335 F CA 0.760 58.745 58.000 -0.024 0.000 1.304 335 F CB -0.381 38.599 39.000 -0.032 0.000 1.087 335 F HN -0.092 nan 8.300 nan 0.000 0.513 336 A N -0.235 122.406 122.820 -0.299 0.000 1.933 336 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 336 A C 2.021 179.358 177.584 -0.411 0.000 1.175 336 A CA 1.837 53.584 52.037 -0.483 0.000 0.628 336 A CB -1.490 17.353 19.000 -0.262 0.000 0.814 336 A HN 0.551 nan 8.150 nan 0.000 0.444 337 Y N -0.158 119.970 120.300 -0.286 0.000 2.153 337 Y HA 0.009 4.559 4.550 -0.000 0.000 0.289 337 Y C 2.864 178.653 175.900 -0.185 0.000 1.127 337 Y CA 0.981 58.963 58.100 -0.197 0.000 1.131 337 Y CB -1.110 37.271 38.460 -0.131 0.000 0.995 337 Y HN 0.297 nan 8.280 nan 0.000 0.505 338 G N -0.593 108.206 108.800 -0.001 0.000 2.442 338 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 338 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 338 G C 1.273 176.109 174.900 -0.105 0.000 1.141 338 G CA 1.430 46.517 45.100 -0.021 0.000 0.763 338 G HN 0.423 nan 8.290 nan 0.000 0.554 339 D N 0.735 120.969 120.400 -0.275 0.000 2.078 339 D HA -0.005 4.635 4.640 -0.000 0.000 0.193 339 D C 2.755 178.941 176.300 -0.189 0.000 0.990 339 D CA 1.688 55.496 54.000 -0.320 0.000 0.827 339 D CB -0.429 39.909 40.800 -0.771 0.000 0.975 339 D HN 0.220 nan 8.370 nan 0.000 0.451 340 A N -0.192 122.491 122.820 -0.228 0.000 1.940 340 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 340 A C 2.193 179.729 177.584 -0.081 0.000 1.176 340 A CA 1.990 53.948 52.037 -0.131 0.000 0.631 340 A CB -0.762 18.111 19.000 -0.212 0.000 0.814 340 A HN 0.404 nan 8.150 nan 0.000 0.446 341 Q N -1.028 118.678 119.800 -0.157 0.000 2.123 341 Q HA -0.056 4.284 4.340 -0.000 0.000 0.199 341 Q C 2.345 178.137 176.000 -0.347 0.000 0.966 341 Q CA 1.190 56.809 55.803 -0.308 0.000 0.845 341 Q CB -0.109 28.390 28.738 -0.399 0.000 0.907 341 Q HN 0.619 nan 8.270 nan 0.000 0.439 342 R N -0.476 119.951 120.500 -0.123 0.000 2.096 342 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 342 R C 2.098 178.403 176.300 0.008 0.000 1.127 342 R CA 1.490 57.594 56.100 0.007 0.000 0.968 342 R CB -0.332 30.002 30.300 0.056 0.000 0.861 342 R HN 0.303 nan 8.270 nan 0.000 0.440 343 Y N 1.476 121.723 120.300 -0.088 0.000 2.114 343 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 343 Y C 2.526 178.380 175.900 -0.076 0.000 1.143 343 Y CA 1.657 59.716 58.100 -0.069 0.000 1.135 343 Y CB -0.210 38.209 38.460 -0.067 0.000 0.980 343 Y HN -0.151 nan 8.280 nan 0.000 0.499 344 R N -0.098 120.276 120.500 -0.209 0.000 2.075 344 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 344 R C 1.527 177.663 176.300 -0.273 0.000 1.126 344 R CA 2.091 58.016 56.100 -0.292 0.000 0.963 344 R CB -0.255 29.966 30.300 -0.131 0.000 0.858 344 R HN 0.507 nan 8.270 nan 0.000 0.435 345 L N -0.726 120.349 121.223 -0.247 0.000 2.731 345 L HA 0.394 4.733 4.340 -0.000 0.000 0.240 345 L C 0.376 177.199 176.870 -0.078 0.000 1.120 345 L CA 0.058 54.785 54.840 -0.189 0.000 0.913 345 L CB 1.191 43.081 42.059 -0.281 0.000 1.213 345 L HN 0.440 nan 8.230 nan 0.000 0.515 346 G N -0.049 108.712 108.800 -0.064 0.000 2.675 346 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.686 346 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.686 346 G C 0.178 175.143 174.900 0.108 0.000 1.215 346 G CA -0.352 44.754 45.100 0.009 0.000 0.777 346 G HN -0.244 nan 8.290 nan 0.000 0.638 347 V N 0.922 120.870 119.914 0.057 0.000 2.469 347 V HA -0.128 3.992 4.120 -0.000 0.000 0.251 347 V C 1.907 177.972 176.094 -0.048 0.000 1.064 347 V CA 2.579 64.900 62.300 0.034 0.000 1.066 347 V CB -0.260 31.559 31.823 -0.008 0.000 0.667 347 V HN 0.685 nan 8.190 nan 0.000 0.461 348 N N -0.247 118.422 118.700 -0.052 0.000 2.295 348 N HA 0.043 4.783 4.740 -0.000 0.000 0.221 348 N C 1.211 176.588 175.510 -0.221 0.000 1.129 348 N CA 0.693 53.642 53.050 -0.169 0.000 0.836 348 N CB -0.196 38.294 38.487 0.005 0.000 1.040 348 N HN 0.903 nan 8.380 nan 0.000 0.494 349 H N -0.681 118.305 119.070 -0.140 0.000 2.518 349 H HA -0.032 4.524 4.556 -0.000 0.000 0.292 349 H C 1.298 176.531 175.328 -0.159 0.000 1.068 349 H CA 1.152 57.121 56.048 -0.131 0.000 1.275 349 H CB -0.082 29.603 29.762 -0.128 0.000 1.375 349 H HN 0.163 nan 8.280 nan 0.000 0.563 350 Q N -0.032 119.398 119.800 -0.616 0.000 2.482 350 Q HA -0.044 4.296 4.340 -0.000 0.000 0.209 350 Q C 0.824 176.672 176.000 -0.254 0.000 0.961 350 Q CA 0.287 55.842 55.803 -0.414 0.000 0.945 350 Q CB 0.207 28.684 28.738 -0.436 0.000 1.012 350 Q HN 0.746 nan 8.270 nan 0.000 0.515 351 H N -0.676 118.330 119.070 -0.106 0.000 2.548 351 H HA 0.138 4.694 4.556 -0.000 0.000 0.265 351 H C 0.244 175.534 175.328 -0.065 0.000 0.969 351 H CA 0.058 56.061 56.048 -0.076 0.000 1.155 351 H CB 0.146 29.864 29.762 -0.074 0.000 1.394 351 H HN 0.185 nan 8.280 nan 0.000 0.570 352 I N 3.026 123.609 120.570 0.022 0.000 2.598 352 I HA -0.033 4.137 4.170 -0.000 0.000 0.284 352 I C -1.077 175.011 176.117 -0.049 0.000 1.140 352 I CA -1.339 59.950 61.300 -0.019 0.000 1.420 352 I CB 0.983 38.951 38.000 -0.052 0.000 1.387 352 I HN -0.092 nan 8.210 nan 0.000 0.553 353 P HA -0.242 nan 4.420 nan 0.000 0.217 353 P C 1.746 178.985 177.300 -0.101 0.000 1.158 353 P CA 1.084 64.138 63.100 -0.077 0.000 0.887 353 P CB 0.184 31.836 31.700 -0.080 0.000 0.792 354 V N -0.316 119.512 119.914 -0.143 0.000 2.490 354 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 354 V C 1.537 177.552 176.094 -0.133 0.000 1.061 354 V CA 2.048 64.227 62.300 -0.201 0.000 1.064 354 V CB -0.924 30.596 31.823 -0.505 0.000 0.670 354 V HN 0.122 nan 8.190 nan 0.000 0.461 355 N N 0.390 119.010 118.700 -0.134 0.000 2.373 355 N HA 0.204 4.944 4.740 -0.000 0.000 0.181 355 N C 0.593 176.090 175.510 -0.022 0.000 1.082 355 N CA 0.744 53.728 53.050 -0.110 0.000 0.885 355 N CB 0.029 38.451 38.487 -0.109 0.000 0.977 355 N HN 0.528 nan 8.380 nan 0.000 0.462 356 A N 2.709 125.531 122.820 0.004 0.000 2.425 356 A HA 0.346 4.666 4.320 -0.000 0.000 0.249 356 A C -2.055 175.579 177.584 0.083 0.000 1.084 356 A CA -0.890 51.161 52.037 0.024 0.000 0.781 356 A CB -0.014 18.988 19.000 0.003 0.000 1.019 356 A HN -0.012 nan 8.150 nan 0.000 0.490 357 P HA 0.256 nan 4.420 nan 0.000 0.274 357 P C -0.570 176.765 177.300 0.059 0.000 1.237 357 P CA -0.210 62.963 63.100 0.122 0.000 0.793 357 P CB 0.617 32.371 31.700 0.089 0.000 0.977 358 R N 0.342 120.883 120.500 0.069 0.000 2.935 358 R HA 0.335 4.675 4.340 -0.000 0.000 0.354 358 R C -0.097 176.221 176.300 0.029 0.000 1.206 358 R CA -0.264 55.832 56.100 -0.008 0.000 1.082 358 R CB -0.386 29.863 30.300 -0.086 0.000 1.431 358 R HN 0.630 nan 8.270 nan 0.000 0.582 359 C N -2.859 116.465 119.300 0.041 0.000 3.323 359 C HA 0.636 5.096 4.460 -0.000 0.000 0.324 359 C C -2.780 172.232 174.990 0.036 0.000 1.428 359 C CA -2.519 56.521 59.018 0.035 0.000 1.368 359 C CB 1.193 28.957 27.740 0.039 0.000 1.731 359 C HN 0.127 nan 8.230 nan 0.000 0.455 360 P HA 0.346 nan 4.420 nan 0.000 0.263 360 P C -0.690 176.650 177.300 0.067 0.000 1.195 360 P CA 0.327 63.450 63.100 0.038 0.000 0.762 360 P CB 0.525 32.238 31.700 0.021 0.000 0.799 361 V N 4.280 124.262 119.914 0.114 0.000 2.709 361 V HA 0.424 4.544 4.120 -0.000 0.000 0.308 361 V C -1.250 175.035 176.094 0.319 0.000 1.062 361 V CA -0.411 61.992 62.300 0.172 0.000 0.901 361 V CB 1.729 33.643 31.823 0.151 0.000 1.003 361 V HN 0.697 nan 8.190 nan 0.000 0.425 362 H N 4.600 123.789 119.070 0.197 0.000 2.750 362 H HA 0.247 4.802 4.556 -0.000 0.000 0.261 362 H C 0.274 175.770 175.328 0.281 0.000 1.387 362 H CA 0.487 56.715 56.048 0.301 0.000 1.557 362 H CB 1.413 31.285 29.762 0.184 0.000 1.756 362 H HN 0.766 nan 8.280 nan 0.000 0.580 363 S N 2.543 118.369 115.700 0.211 0.000 2.556 363 S HA -0.054 4.416 4.470 -0.000 0.000 0.216 363 S C 1.070 175.382 174.600 -0.482 0.000 0.970 363 S CA 0.387 58.547 58.200 -0.066 0.000 0.912 363 S CB -0.131 63.085 63.200 0.026 0.000 0.790 363 S HN 0.798 nan 8.310 nan 0.000 0.504 364 Y N 1.871 121.588 120.300 -0.971 0.000 2.865 364 Y HA -0.362 4.188 4.550 -0.000 0.000 0.480 364 Y C 0.188 175.607 175.900 -0.802 0.000 1.252 364 Y CA 1.721 58.796 58.100 -1.709 0.000 2.596 364 Y CB -2.031 35.546 38.460 -1.471 0.000 0.917 364 Y HN 0.564 nan 8.280 nan 0.000 0.522 365 H N 3.807 122.788 119.070 -0.150 0.000 3.064 365 H HA 0.358 4.914 4.556 -0.000 0.000 0.329 365 H C 0.345 175.643 175.328 -0.051 0.000 1.020 365 H CA 0.874 56.854 56.048 -0.113 0.000 1.402 365 H CB 0.283 30.049 29.762 0.008 0.000 1.379 365 H HN 0.235 nan 8.280 nan 0.000 0.594 366 R N 2.040 122.536 120.500 -0.007 0.000 2.832 366 R HA 0.201 4.541 4.340 -0.000 0.000 0.271 366 R C 0.431 176.751 176.300 0.033 0.000 0.996 366 R CA -0.744 55.369 56.100 0.022 0.000 0.977 366 R CB 0.988 31.256 30.300 -0.055 0.000 1.168 366 R HN 0.708 nan 8.270 nan 0.000 0.482 367 D N -0.046 120.374 120.400 0.033 0.000 3.393 367 D HA -0.224 4.416 4.640 -0.000 0.000 0.178 367 D C 0.439 176.754 176.300 0.025 0.000 1.201 367 D CA 2.033 56.047 54.000 0.023 0.000 1.086 367 D CB -1.144 39.666 40.800 0.017 0.000 0.568 367 D HN 0.862 nan 8.370 nan 0.000 0.637 368 G N -0.792 108.019 108.800 0.018 0.000 2.787 368 G HA2 0.373 4.333 3.960 -0.000 0.000 0.685 368 G HA3 0.373 4.333 3.960 -0.000 0.000 0.685 368 G C 0.088 174.997 174.900 0.016 0.000 1.437 368 G CA 0.572 45.681 45.100 0.015 0.000 0.872 368 G HN 1.491 nan 8.290 nan 0.000 0.566 369 A N 1.737 124.565 122.820 0.012 0.000 2.483 369 A HA 0.604 4.924 4.320 -0.000 0.000 0.238 369 A C 1.456 179.051 177.584 0.017 0.000 1.070 369 A CA 1.224 53.267 52.037 0.010 0.000 0.770 369 A CB 0.011 19.013 19.000 0.003 0.000 1.008 369 A HN 2.154 nan 8.150 nan 0.000 0.497 370 M N 0.310 119.918 119.600 0.013 0.000 2.350 370 M HA -0.140 4.340 4.480 -0.000 0.000 0.190 370 M C 0.093 176.410 176.300 0.029 0.000 0.710 370 M CA 0.693 56.004 55.300 0.019 0.000 0.495 370 M CB -1.610 31.003 32.600 0.022 0.000 1.136 370 M HN 0.832 nan 8.290 nan 0.000 0.901 371 R N 1.134 121.643 120.500 0.014 0.000 2.205 371 R HA 0.453 4.792 4.340 -0.000 0.000 0.342 371 R C 0.908 177.180 176.300 -0.047 0.000 1.058 371 R CA 0.131 56.232 56.100 0.002 0.000 0.904 371 R CB 0.442 30.739 30.300 -0.005 0.000 1.089 371 R HN 0.357 nan 8.270 nan 0.000 0.471 372 V N 0.205 120.065 119.914 -0.090 0.000 3.556 372 V HA 0.211 4.331 4.120 -0.000 0.000 0.287 372 V C 0.769 176.742 176.094 -0.202 0.000 1.422 372 V CA 0.607 62.837 62.300 -0.116 0.000 1.038 372 V CB 0.578 32.358 31.823 -0.072 0.000 0.850 372 V HN 0.687 nan 8.190 nan 0.000 0.437 373 D N 1.022 121.211 120.400 -0.352 0.000 2.340 373 D HA 0.226 4.866 4.640 -0.000 0.000 0.220 373 D C 1.662 177.778 176.300 -0.306 0.000 1.039 373 D CA 0.881 54.623 54.000 -0.431 0.000 0.866 373 D CB 0.458 40.767 40.800 -0.819 0.000 0.913 373 D HN 0.879 nan 8.370 nan 0.000 0.523 374 G N 1.439 110.107 108.800 -0.221 0.000 2.217 374 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.246 374 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.246 374 G C 0.667 175.472 174.900 -0.157 0.000 0.990 374 G CA 0.244 45.252 45.100 -0.153 0.000 0.627 374 G HN 0.518 nan 8.290 nan 0.000 0.522 375 N N -1.138 117.394 118.700 -0.280 0.000 2.725 375 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 375 N C 0.751 176.216 175.510 -0.075 0.000 1.103 375 N CA 1.812 54.721 53.050 -0.235 0.000 0.707 375 N CB -1.814 36.637 38.487 -0.059 0.000 1.043 375 N HN 1.503 nan 8.380 nan 0.000 0.553 376 F N -3.503 116.488 119.950 0.069 0.000 3.034 376 F HA -0.236 4.290 4.527 -0.000 0.000 0.286 376 F C 1.791 177.633 175.800 0.069 0.000 0.804 376 F CA 1.526 59.591 58.000 0.109 0.000 1.161 376 F CB -1.758 37.375 39.000 0.222 0.000 1.317 376 F HN 0.529 nan 8.300 nan 0.000 0.453 377 G N 0.227 109.107 108.800 0.132 0.000 2.672 377 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.324 377 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.324 377 G C 0.939 175.905 174.900 0.110 0.000 1.286 377 G CA 0.827 45.982 45.100 0.092 0.000 1.004 377 G HN 0.666 nan 8.290 nan 0.000 0.548 378 S N 1.074 116.827 115.700 0.087 0.000 2.603 378 S HA 0.236 4.706 4.470 -0.000 0.000 0.220 378 S C 1.091 175.744 174.600 0.089 0.000 0.967 378 S CA 1.038 59.285 58.200 0.077 0.000 0.920 378 S CB -0.036 63.194 63.200 0.051 0.000 0.773 378 S HN 0.857 nan 8.310 nan 0.000 0.529 379 T N 4.882 119.503 114.554 0.111 0.000 2.891 379 T HA 0.102 4.452 4.350 -0.000 0.000 0.296 379 T C 0.361 175.132 174.700 0.119 0.000 1.025 379 T CA -0.243 61.904 62.100 0.078 0.000 1.149 379 T CB -0.229 68.690 68.868 0.084 0.000 1.007 379 T HN 0.246 nan 8.240 nan 0.000 0.528 380 L N 1.694 122.955 121.223 0.064 0.000 2.492 380 L HA 0.530 4.869 4.340 -0.000 0.000 0.280 380 L C 1.170 178.181 176.870 0.235 0.000 1.240 380 L CA 0.001 54.909 54.840 0.114 0.000 0.831 380 L CB -0.111 41.949 42.059 0.001 0.000 1.100 380 L HN 0.583 nan 8.230 nan 0.000 0.505 381 G N 0.538 109.488 108.800 0.251 0.000 3.453 381 G HA2 0.238 4.198 3.960 -0.000 0.000 0.263 381 G HA3 0.238 4.198 3.960 -0.000 0.000 0.263 381 G C -0.316 174.715 174.900 0.217 0.000 1.060 381 G CA 0.221 45.421 45.100 0.166 0.000 0.793 381 G HN 0.814 nan 8.290 nan 0.000 0.532 382 Y N -1.424 119.034 120.300 0.264 0.000 2.485 382 Y HA 0.835 5.385 4.550 -0.000 0.000 0.345 382 Y C -0.787 175.286 175.900 0.288 0.000 0.998 382 Y CA -2.124 56.120 58.100 0.238 0.000 1.059 382 Y CB 1.857 40.402 38.460 0.141 0.000 1.234 382 Y HN -0.120 nan 8.280 nan 0.000 0.461 383 E N 3.697 124.062 120.200 0.276 0.000 2.308 383 E HA 0.409 4.759 4.350 -0.000 0.000 0.275 383 E C -2.785 173.911 176.600 0.161 0.000 0.890 383 E CA -1.986 54.515 56.400 0.167 0.000 0.754 383 E CB 2.182 31.965 29.700 0.138 0.000 1.207 383 E HN 0.806 nan 8.360 nan 0.000 0.426 384 P HA 0.278 nan 4.420 nan 0.000 0.272 384 P C -0.950 176.459 177.300 0.181 0.000 1.223 384 P CA -0.159 63.017 63.100 0.127 0.000 0.784 384 P CB 0.562 32.323 31.700 0.102 0.000 0.923 385 N N -1.167 117.574 118.700 0.068 0.000 2.825 385 N HA 0.234 4.973 4.740 -0.000 0.000 0.253 385 N C -0.358 175.165 175.510 0.021 0.000 1.426 385 N CA -0.791 52.272 53.050 0.022 0.000 0.851 385 N CB 0.447 38.667 38.487 -0.444 0.000 1.470 385 N HN 0.267 nan 8.380 nan 0.000 0.517 386 D N -1.147 119.280 120.400 0.046 0.000 2.328 386 D HA -0.029 4.610 4.640 -0.000 0.000 0.226 386 D C 0.256 176.549 176.300 -0.010 0.000 1.066 386 D CA 0.584 54.603 54.000 0.031 0.000 0.861 386 D CB -0.049 40.786 40.800 0.058 0.000 0.912 386 D HN 0.670 nan 8.370 nan 0.000 0.521 387 Q N -0.428 119.340 119.800 -0.053 0.000 2.282 387 Q HA 0.241 4.581 4.340 -0.000 0.000 0.206 387 Q C 1.062 177.006 176.000 -0.093 0.000 0.878 387 Q CA 0.300 56.055 55.803 -0.080 0.000 0.944 387 Q CB 0.725 29.390 28.738 -0.121 0.000 1.100 387 Q HN 0.405 nan 8.270 nan 0.000 0.509 388 G N 2.081 110.836 108.800 -0.076 0.000 2.168 388 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.257 388 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.257 388 G C 0.092 174.928 174.900 -0.107 0.000 0.997 388 G CA 0.497 45.557 45.100 -0.067 0.000 0.708 388 G HN 0.298 nan 8.290 nan 0.000 0.520 389 Q N -1.014 118.680 119.800 -0.177 0.000 2.340 389 Q HA 0.428 4.768 4.340 -0.000 0.000 0.249 389 Q C 0.795 176.681 176.000 -0.190 0.000 0.957 389 Q CA 0.088 55.683 55.803 -0.346 0.000 0.882 389 Q CB 0.019 28.429 28.738 -0.547 0.000 1.235 389 Q HN 0.721 nan 8.270 nan 0.000 0.439 390 W N 0.733 122.021 121.300 -0.019 0.000 5.361 390 W HA -0.236 4.424 4.660 -0.000 0.000 0.385 390 W C -0.095 176.395 176.519 -0.048 0.000 1.458 390 W CA -0.070 57.244 57.345 -0.052 0.000 0.922 390 W CB -2.005 27.415 29.460 -0.066 0.000 2.606 390 W HN 0.684 nan 8.180 nan 0.000 1.450 391 A N 1.470 124.363 122.820 0.122 0.000 2.492 391 A HA 0.356 4.676 4.320 -0.000 0.000 0.254 391 A C 0.962 178.596 177.584 0.083 0.000 1.091 391 A CA 0.195 52.276 52.037 0.074 0.000 0.768 391 A CB 0.190 19.210 19.000 0.034 0.000 1.028 391 A HN 0.454 nan 8.150 nan 0.000 0.498 392 E N 2.710 122.947 120.200 0.062 0.000 2.409 392 E HA 0.120 4.470 4.350 -0.000 0.000 0.257 392 E C -0.766 175.883 176.600 0.082 0.000 1.150 392 E CA -0.201 56.235 56.400 0.059 0.000 0.942 392 E CB 0.406 30.129 29.700 0.037 0.000 0.979 392 E HN 0.656 nan 8.360 nan 0.000 0.447 393 Q N 1.315 121.185 119.800 0.116 0.000 2.721 393 Q HA 0.172 4.512 4.340 -0.000 0.000 0.257 393 Q C -1.871 174.237 176.000 0.180 0.000 1.070 393 Q CA -1.784 54.133 55.803 0.190 0.000 0.910 393 Q CB 1.316 30.252 28.738 0.331 0.000 1.163 393 Q HN 0.528 nan 8.270 nan 0.000 0.501 394 P HA -0.163 nan 4.420 nan 0.000 0.222 394 P C 0.251 177.553 177.300 0.003 0.000 1.147 394 P CA 0.958 64.086 63.100 0.046 0.000 0.790 394 P CB 0.462 32.173 31.700 0.018 0.000 0.780 395 D N -0.581 119.779 120.400 -0.067 0.000 2.265 395 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 395 D C 1.191 177.291 176.300 -0.332 0.000 0.977 395 D CA 0.932 54.787 54.000 -0.241 0.000 0.871 395 D CB -0.657 39.900 40.800 -0.405 0.000 0.925 395 D HN 0.270 nan 8.370 nan 0.000 0.485 396 F N 0.286 120.230 119.950 -0.011 0.000 2.732 396 F HA 0.132 4.659 4.527 -0.000 0.000 0.303 396 F C 1.258 177.049 175.800 -0.016 0.000 1.110 396 F CA -0.256 57.735 58.000 -0.015 0.000 1.355 396 F CB -0.051 38.941 39.000 -0.013 0.000 1.081 396 F HN -0.310 nan 8.300 nan 0.000 0.565 397 S N 1.119 116.878 115.700 0.097 0.000 2.549 397 S HA 0.023 4.493 4.470 -0.000 0.000 0.286 397 S C 0.332 174.955 174.600 0.039 0.000 1.314 397 S CA -0.385 57.852 58.200 0.062 0.000 1.062 397 S CB 0.243 63.462 63.200 0.031 0.000 0.865 397 S HN 0.341 nan 8.310 nan 0.000 0.498 398 E N 4.239 124.461 120.200 0.036 0.000 2.349 398 E HA 0.336 4.685 4.350 -0.000 0.000 0.262 398 E C -1.985 174.618 176.600 0.006 0.000 1.088 398 E CA -1.828 54.581 56.400 0.017 0.000 0.899 398 E CB 0.331 30.038 29.700 0.012 0.000 1.044 398 E HN 0.557 nan 8.360 nan 0.000 0.420 399 P HA 0.148 nan 4.420 nan 0.000 0.272 399 P C -2.523 174.774 177.300 -0.006 0.000 1.223 399 P CA -1.161 61.929 63.100 -0.016 0.000 0.784 399 P CB -0.334 31.343 31.700 -0.038 0.000 0.923 400 P HA 0.151 nan 4.420 nan 0.000 0.269 400 P C -0.662 176.643 177.300 0.010 0.000 1.215 400 P CA -0.113 62.992 63.100 0.009 0.000 0.780 400 P CB 0.223 31.927 31.700 0.007 0.000 0.898 401 L N 2.633 123.874 121.223 0.029 0.000 2.287 401 L HA 0.326 4.666 4.340 -0.000 0.000 0.287 401 L C -0.204 176.690 176.870 0.041 0.000 1.022 401 L CA -0.311 54.557 54.840 0.047 0.000 0.814 401 L CB 0.138 42.247 42.059 0.084 0.000 1.217 401 L HN 0.274 nan 8.230 nan 0.000 0.420 402 N N 4.038 122.761 118.700 0.039 0.000 2.454 402 N HA 0.306 5.046 4.740 -0.000 0.000 0.254 402 N C -1.027 174.501 175.510 0.030 0.000 1.228 402 N CA -0.180 52.889 53.050 0.030 0.000 0.900 402 N CB 0.498 39.002 38.487 0.027 0.000 1.089 402 N HN 0.341 nan 8.380 nan 0.000 0.449 403 L N 1.391 122.624 121.223 0.016 0.000 2.323 403 L HA 0.520 4.859 4.340 -0.000 0.000 0.265 403 L C -0.664 176.203 176.870 -0.006 0.000 1.012 403 L CA -0.430 54.412 54.840 0.003 0.000 0.820 403 L CB 1.915 43.979 42.059 0.008 0.000 1.334 403 L HN 0.603 nan 8.230 nan 0.000 0.427 404 D N 0.473 120.857 120.400 -0.027 0.000 2.931 404 D HA 0.603 5.243 4.640 -0.000 0.000 0.215 404 D C -0.560 175.702 176.300 -0.064 0.000 1.297 404 D CA 0.535 54.514 54.000 -0.035 0.000 0.892 404 D CB 1.572 42.346 40.800 -0.043 0.000 1.642 404 D HN 0.880 nan 8.370 nan 0.000 0.560 405 G N 1.282 110.077 108.800 -0.009 0.000 2.515 405 G HA2 0.513 4.473 3.960 -0.000 0.000 0.686 405 G HA3 0.513 4.473 3.960 -0.000 0.000 0.686 405 G C -0.396 174.610 174.900 0.178 0.000 1.274 405 G CA -0.389 44.736 45.100 0.042 0.000 0.874 405 G HN 0.882 nan 8.290 nan 0.000 0.631 406 A N 0.117 123.152 122.820 0.358 0.000 2.366 406 A HA 0.886 5.206 4.320 -0.000 0.000 0.249 406 A C 1.189 178.984 177.584 0.352 0.000 1.084 406 A CA 1.003 53.216 52.037 0.294 0.000 0.794 406 A CB 0.433 19.566 19.000 0.222 0.000 1.034 406 A HN 2.587 nan 8.150 nan 0.000 0.491 407 A N 0.570 123.493 122.820 0.172 0.000 2.515 407 A HA 0.537 4.856 4.320 -0.000 0.000 0.263 407 A C 0.514 178.100 177.584 0.002 0.000 1.096 407 A CA 0.736 52.836 52.037 0.105 0.000 0.769 407 A CB -0.873 18.148 19.000 0.035 0.000 1.040 407 A HN 2.455 nan 8.150 nan 0.000 0.505 408 A N 2.824 125.598 122.820 -0.077 0.000 2.586 408 A HA 0.605 4.925 4.320 -0.000 0.000 0.291 408 A C -0.704 176.653 177.584 -0.378 0.000 1.062 408 A CA -0.760 51.051 52.037 -0.377 0.000 0.666 408 A CB 0.537 18.972 19.000 -0.942 0.000 1.281 408 A HN 0.826 nan 8.150 nan 0.000 0.421 409 H N 0.685 119.590 119.070 -0.275 0.000 2.982 409 H HA 0.161 4.717 4.556 -0.000 0.000 0.261 409 H C -1.040 174.214 175.328 -0.124 0.000 1.603 409 H CA 0.136 56.118 56.048 -0.110 0.000 1.398 409 H CB -0.038 29.685 29.762 -0.065 0.000 1.693 409 H HN 0.547 nan 8.280 nan 0.000 0.535 410 W N 2.057 123.413 121.300 0.093 0.000 2.308 410 W HA -0.029 4.631 4.660 0.000 0.000 0.324 410 W C 0.843 177.417 176.519 0.091 0.000 1.387 410 W CA -0.284 57.107 57.345 0.076 0.000 1.250 410 W CB 0.272 29.763 29.460 0.051 0.000 1.257 410 W HN 0.442 nan 8.180 nan 0.000 0.554 411 D N 2.718 123.279 120.400 0.269 0.000 2.339 411 D HA -0.051 4.589 4.640 -0.000 0.000 0.256 411 D C 1.250 177.633 176.300 0.138 0.000 1.214 411 D CA 0.009 54.087 54.000 0.131 0.000 0.877 411 D CB 0.525 41.357 40.800 0.054 0.000 1.111 411 D HN 0.540 nan 8.370 nan 0.000 0.478 412 H N 3.032 122.200 119.070 0.164 0.000 2.524 412 H HA 0.084 4.640 4.556 -0.000 0.000 0.282 412 H C 1.129 176.528 175.328 0.118 0.000 1.016 412 H CA 0.875 57.006 56.048 0.139 0.000 1.270 412 H CB 0.020 29.866 29.762 0.140 0.000 1.394 412 H HN 0.294 nan 8.280 nan 0.000 0.568 413 R N 0.756 121.109 120.500 -0.244 0.000 2.339 413 R HA -0.070 4.269 4.340 -0.000 0.000 0.199 413 R C 1.668 177.973 176.300 0.008 0.000 1.018 413 R CA 0.769 56.836 56.100 -0.055 0.000 1.036 413 R CB -0.118 30.131 30.300 -0.084 0.000 0.899 413 R HN 0.628 nan 8.270 nan 0.000 0.473 414 E N 1.548 121.765 120.200 0.029 0.000 2.160 414 E HA -0.185 4.164 4.350 -0.000 0.000 0.195 414 E C 0.085 176.678 176.600 -0.011 0.000 0.991 414 E CA 0.915 57.334 56.400 0.032 0.000 0.810 414 E CB 0.108 29.851 29.700 0.071 0.000 0.742 414 E HN 0.061 nan 8.360 nan 0.000 0.466 415 D N 0.696 121.082 120.400 -0.022 0.000 2.411 415 D HA 0.036 4.676 4.640 -0.000 0.000 0.225 415 D C -0.429 175.679 176.300 -0.320 0.000 1.156 415 D CA 0.016 53.954 54.000 -0.103 0.000 0.874 415 D CB 0.909 41.685 40.800 -0.040 0.000 1.034 415 D HN 0.092 nan 8.370 nan 0.000 0.502 416 E N 1.980 121.938 120.200 -0.403 0.000 2.444 416 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 416 E C -0.235 175.844 176.600 -0.869 0.000 1.041 416 E CA -0.192 55.710 56.400 -0.830 0.000 0.883 416 E CB 0.412 29.916 29.700 -0.326 0.000 1.024 416 E HN 0.320 nan 8.360 nan 0.000 0.470 417 D N 0.186 120.262 120.400 -0.540 0.000 2.541 417 D HA -0.073 4.567 4.640 -0.000 0.000 0.231 417 D C -0.050 176.002 176.300 -0.413 0.000 1.163 417 D CA 0.210 54.010 54.000 -0.335 0.000 1.077 417 D CB -0.135 40.580 40.800 -0.143 0.000 1.110 417 D HN 0.142 nan 8.370 nan 0.000 0.499 418 Y N 0.803 120.819 120.300 -0.473 0.000 2.503 418 Y HA 0.121 4.671 4.550 -0.000 0.000 0.278 418 Y C 1.212 176.717 175.900 -0.658 0.000 1.111 418 Y CA 0.163 57.808 58.100 -0.757 0.000 1.270 418 Y CB -0.012 37.589 38.460 -1.432 0.000 1.063 418 Y HN 0.252 nan 8.280 nan 0.000 0.548 419 F N -1.985 118.035 119.950 0.116 0.000 2.752 419 F HA 0.127 4.653 4.527 -0.000 0.000 0.310 419 F C 2.310 178.121 175.800 0.018 0.000 1.097 419 F CA 0.250 58.291 58.000 0.067 0.000 1.238 419 F CB -0.687 38.361 39.000 0.080 0.000 1.061 419 F HN -0.069 nan 8.300 nan 0.000 0.591 420 S N 0.159 115.932 115.700 0.122 0.000 2.368 420 S HA -0.191 4.279 4.470 -0.000 0.000 0.224 420 S C 1.790 176.386 174.600 -0.007 0.000 1.029 420 S CA 1.143 59.384 58.200 0.068 0.000 0.988 420 S CB -0.577 62.652 63.200 0.048 0.000 0.838 420 S HN 0.470 nan 8.310 nan 0.000 0.462 421 Q N 1.323 121.062 119.800 -0.101 0.000 2.123 421 Q HA 0.046 4.386 4.340 -0.000 0.000 0.199 421 Q C -0.480 175.285 176.000 -0.392 0.000 0.966 421 Q CA 1.275 56.920 55.803 -0.263 0.000 0.845 421 Q CB -1.138 27.386 28.738 -0.357 0.000 0.907 421 Q HN 0.521 nan 8.270 nan 0.000 0.439 422 P HA -0.144 nan 4.420 nan 0.000 0.215 422 P C 1.308 178.660 177.300 0.086 0.000 1.153 422 P CA 1.836 64.889 63.100 -0.078 0.000 0.853 422 P CB -0.367 31.411 31.700 0.129 0.000 0.788 423 G N -0.121 108.748 108.800 0.116 0.000 2.418 423 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 423 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 423 G C 1.233 176.220 174.900 0.145 0.000 1.158 423 G CA 0.906 46.102 45.100 0.160 0.000 0.771 423 G HN 0.171 nan 8.290 nan 0.000 0.545 424 D N 0.201 120.634 120.400 0.056 0.000 2.097 424 D HA -0.111 4.529 4.640 -0.000 0.000 0.195 424 D C 2.406 178.717 176.300 0.018 0.000 0.989 424 D CA 0.766 54.781 54.000 0.025 0.000 0.827 424 D CB -0.421 40.369 40.800 -0.017 0.000 0.966 424 D HN 0.263 nan 8.370 nan 0.000 0.456 425 L N 0.108 121.337 121.223 0.009 0.000 2.017 425 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 425 L C 2.173 179.044 176.870 0.001 0.000 1.073 425 L CA 1.424 56.270 54.840 0.011 0.000 0.745 425 L CB -0.775 41.311 42.059 0.045 0.000 0.894 425 L HN -0.034 nan 8.230 nan 0.000 0.432 426 F N 0.553 120.426 119.950 -0.128 0.000 2.126 426 F HA -0.094 4.433 4.527 -0.000 0.000 0.299 426 F C 2.172 177.903 175.800 -0.115 0.000 1.096 426 F CA 1.785 59.668 58.000 -0.196 0.000 1.255 426 F CB -0.954 37.878 39.000 -0.280 0.000 0.997 426 F HN 0.137 nan 8.300 nan 0.000 0.479 427 G N 0.548 109.325 108.800 -0.039 0.000 2.479 427 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 427 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 427 G C 1.569 176.371 174.900 -0.164 0.000 1.115 427 G CA 0.780 45.817 45.100 -0.105 0.000 0.757 427 G HN 0.409 nan 8.290 nan 0.000 0.560 428 L N -0.163 120.973 121.223 -0.145 0.000 2.558 428 L HA 0.322 4.662 4.340 -0.000 0.000 0.225 428 L C 1.188 177.961 176.870 -0.162 0.000 1.128 428 L CA 0.277 55.044 54.840 -0.122 0.000 0.868 428 L CB -0.286 41.725 42.059 -0.079 0.000 1.006 428 L HN 0.298 nan 8.230 nan 0.000 0.454 429 M N 0.487 119.931 119.600 -0.260 0.000 2.211 429 M HA 0.099 4.579 4.480 -0.000 0.000 0.356 429 M C 0.893 177.031 176.300 -0.272 0.000 1.216 429 M CA -0.144 54.991 55.300 -0.275 0.000 1.134 429 M CB 1.291 33.661 32.600 -0.382 0.000 1.564 429 M HN 0.100 nan 8.290 nan 0.000 0.463 430 T N 0.270 114.710 114.554 -0.190 0.000 2.791 430 T HA 0.179 4.529 4.350 -0.000 0.000 0.323 430 T C 1.252 175.838 174.700 -0.191 0.000 1.082 430 T CA -0.185 61.822 62.100 -0.156 0.000 1.084 430 T CB 0.701 69.506 68.868 -0.105 0.000 0.992 430 T HN 0.741 nan 8.240 nan 0.000 0.547 431 A N 0.812 123.550 122.820 -0.138 0.000 1.917 431 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 431 A C 2.298 179.808 177.584 -0.122 0.000 1.182 431 A CA 2.169 54.138 52.037 -0.114 0.000 0.633 431 A CB -1.181 17.790 19.000 -0.048 0.000 0.819 431 A HN 1.091 nan 8.150 nan 0.000 0.448 432 E N 0.232 120.371 120.200 -0.101 0.000 2.051 432 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 432 E C 1.881 178.403 176.600 -0.129 0.000 0.991 432 E CA 1.890 58.237 56.400 -0.088 0.000 0.799 432 E CB -0.287 29.377 29.700 -0.060 0.000 0.748 432 E HN 0.593 nan 8.360 nan 0.000 0.449 433 K N -0.090 120.218 120.400 -0.154 0.000 2.097 433 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 433 K C 2.460 178.895 176.600 -0.276 0.000 1.050 433 K CA 1.558 57.741 56.287 -0.173 0.000 0.938 433 K CB -0.096 32.311 32.500 -0.155 0.000 0.718 433 K HN 0.286 nan 8.250 nan 0.000 0.442 434 Q N 0.193 119.755 119.800 -0.397 0.000 2.050 434 Q HA -0.139 4.200 4.340 -0.000 0.000 0.202 434 Q C 2.238 177.657 176.000 -0.969 0.000 0.980 434 Q CA 1.492 56.876 55.803 -0.699 0.000 0.840 434 Q CB -0.205 28.137 28.738 -0.660 0.000 0.898 434 Q HN 0.336 nan 8.270 nan 0.000 0.424 435 A N 0.973 123.501 122.820 -0.486 0.000 1.908 435 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 435 A C 2.043 179.557 177.584 -0.116 0.000 1.181 435 A CA 1.269 53.183 52.037 -0.205 0.000 0.627 435 A CB -0.696 18.289 19.000 -0.025 0.000 0.818 435 A HN 0.318 nan 8.150 nan 0.000 0.445 436 I N -0.596 119.899 120.570 -0.124 0.000 2.179 436 I HA -0.248 3.921 4.170 -0.000 0.000 0.242 436 I C 2.506 178.618 176.117 -0.009 0.000 1.088 436 I CA 1.114 62.389 61.300 -0.042 0.000 1.357 436 I CB -0.301 37.675 38.000 -0.041 0.000 1.051 436 I HN 0.366 nan 8.210 nan 0.000 0.409 437 L N 0.435 121.606 121.223 -0.086 0.000 2.012 437 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 437 L C 2.630 179.628 176.870 0.212 0.000 1.073 437 L CA 2.034 56.887 54.840 0.022 0.000 0.748 437 L CB -0.384 41.624 42.059 -0.086 0.000 0.891 437 L HN 0.190 nan 8.230 nan 0.000 0.431 438 F N 0.015 120.063 119.950 0.164 0.000 2.102 438 F HA -0.295 4.231 4.527 -0.000 0.000 0.298 438 F C 2.428 178.284 175.800 0.094 0.000 1.105 438 F CA 1.014 59.102 58.000 0.147 0.000 1.239 438 F CB -0.364 38.708 39.000 0.121 0.000 0.991 438 F HN 0.253 nan 8.300 nan 0.000 0.474 439 D N 0.430 120.986 120.400 0.261 0.000 2.084 439 D HA -0.189 4.451 4.640 -0.000 0.000 0.194 439 D C 1.626 178.006 176.300 0.133 0.000 0.990 439 D CA 1.837 55.929 54.000 0.153 0.000 0.826 439 D CB -0.433 40.431 40.800 0.108 0.000 0.971 439 D HN 0.202 nan 8.370 nan 0.000 0.453 440 N N -1.207 117.580 118.700 0.145 0.000 2.104 440 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 440 N C 1.589 177.215 175.510 0.193 0.000 1.024 440 N CA 1.611 54.756 53.050 0.158 0.000 0.853 440 N CB -0.069 38.517 38.487 0.165 0.000 1.008 440 N HN 0.194 nan 8.380 nan 0.000 0.424 441 T N 0.630 115.322 114.554 0.229 0.000 2.737 441 T HA -0.055 4.295 4.350 -0.000 0.000 0.265 441 T C 2.105 176.833 174.700 0.047 0.000 1.038 441 T CA 1.140 63.370 62.100 0.216 0.000 1.144 441 T CB -0.345 68.717 68.868 0.324 0.000 0.866 441 T HN 0.314 nan 8.240 nan 0.000 0.434 442 A N 1.801 124.649 122.820 0.046 0.000 1.908 442 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 442 A C 2.381 179.935 177.584 -0.050 0.000 1.181 442 A CA 1.481 53.490 52.037 -0.047 0.000 0.627 442 A CB -0.516 18.462 19.000 -0.037 0.000 0.818 442 A HN 0.372 nan 8.150 nan 0.000 0.445 443 R N -0.715 119.792 120.500 0.011 0.000 2.115 443 R HA -0.063 4.276 4.340 -0.000 0.000 0.230 443 R C 2.058 178.380 176.300 0.036 0.000 1.111 443 R CA 1.115 57.227 56.100 0.021 0.000 0.976 443 R CB -0.319 30.010 30.300 0.048 0.000 0.870 443 R HN 0.601 nan 8.270 nan 0.000 0.445 444 N N 0.758 119.504 118.700 0.078 0.000 2.309 444 N HA -0.090 4.649 4.740 -0.000 0.000 0.182 444 N C 1.289 176.806 175.510 0.012 0.000 1.018 444 N CA 0.806 53.955 53.050 0.166 0.000 0.876 444 N CB 0.192 38.916 38.487 0.394 0.000 0.972 444 N HN 0.190 nan 8.380 nan 0.000 0.434 445 L N 0.549 121.631 121.223 -0.236 0.000 2.591 445 L HA 0.089 4.429 4.340 -0.000 0.000 0.228 445 L C 0.820 177.581 176.870 -0.182 0.000 1.133 445 L CA -0.186 54.404 54.840 -0.417 0.000 0.880 445 L CB -0.335 41.406 42.059 -0.530 0.000 1.033 445 L HN 0.087 nan 8.230 nan 0.000 0.450 446 N N 1.021 119.667 118.700 -0.090 0.000 2.411 446 N HA -0.037 4.702 4.740 -0.000 0.000 0.261 446 N C 1.160 176.655 175.510 -0.025 0.000 1.248 446 N CA 1.209 54.230 53.050 -0.048 0.000 0.885 446 N CB 0.824 39.298 38.487 -0.021 0.000 1.062 446 N HN 0.337 nan 8.380 nan 0.000 0.471 447 G N 2.088 110.877 108.800 -0.020 0.000 2.205 447 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.261 447 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.261 447 G C 0.145 175.045 174.900 0.001 0.000 0.980 447 G CA 0.298 45.395 45.100 -0.004 0.000 0.632 447 G HN 0.554 nan 8.290 nan 0.000 0.533 448 V N 2.700 122.605 119.914 -0.015 0.000 2.555 448 V HA 0.368 4.488 4.120 -0.000 0.000 0.286 448 V C -1.262 174.838 176.094 0.008 0.000 1.044 448 V CA -1.105 61.193 62.300 -0.003 0.000 1.026 448 V CB 1.149 32.937 31.823 -0.059 0.000 0.981 448 V HN 0.139 nan 8.190 nan 0.000 0.480 449 P HA -0.019 nan 4.420 nan 0.000 0.263 449 P C 0.778 178.091 177.300 0.022 0.000 1.175 449 P CA 0.188 63.300 63.100 0.020 0.000 0.761 449 P CB 0.461 32.172 31.700 0.019 0.000 0.794 450 K N 3.867 124.281 120.400 0.023 0.000 2.074 450 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 450 K C 1.710 178.279 176.600 -0.052 0.000 1.048 450 K CA 1.589 57.890 56.287 0.023 0.000 0.926 450 K CB -0.026 32.478 32.500 0.007 0.000 0.713 450 K HN 0.534 nan 8.250 nan 0.000 0.444 451 E N 0.966 121.135 120.200 -0.052 0.000 2.153 451 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 451 E C 1.939 178.515 176.600 -0.040 0.000 0.988 451 E CA 1.239 57.598 56.400 -0.068 0.000 0.811 451 E CB -0.444 29.227 29.700 -0.048 0.000 0.746 451 E HN 0.471 nan 8.360 nan 0.000 0.466 452 I N 1.147 121.718 120.570 0.001 0.000 2.233 452 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 452 I C 2.872 179.012 176.117 0.039 0.000 1.093 452 I CA 1.159 62.486 61.300 0.044 0.000 1.380 452 I CB -0.304 37.747 38.000 0.084 0.000 1.067 452 I HN 0.041 nan 8.210 nan 0.000 0.413 453 Q N 0.202 120.013 119.800 0.018 0.000 2.077 453 Q HA -0.256 4.083 4.340 -0.000 0.000 0.206 453 Q C 2.292 178.322 176.000 0.050 0.000 0.989 453 Q CA 1.516 57.343 55.803 0.040 0.000 0.853 453 Q CB -0.276 28.573 28.738 0.186 0.000 0.907 453 Q HN 0.320 nan 8.270 nan 0.000 0.418 454 L N 0.779 121.964 121.223 -0.065 0.000 2.083 454 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 454 L C 2.269 179.051 176.870 -0.147 0.000 1.083 454 L CA 1.642 56.373 54.840 -0.181 0.000 0.752 454 L CB -0.588 41.287 42.059 -0.307 0.000 0.899 454 L HN 0.150 nan 8.230 nan 0.000 0.433 455 R N -1.504 118.925 120.500 -0.118 0.000 2.081 455 R HA -0.219 4.121 4.340 -0.000 0.000 0.235 455 R C 2.230 178.356 176.300 -0.289 0.000 1.131 455 R CA 1.591 57.569 56.100 -0.202 0.000 0.960 455 R CB -0.613 29.637 30.300 -0.084 0.000 0.856 455 R HN 0.457 nan 8.270 nan 0.000 0.436 456 H N 0.510 119.503 119.070 -0.128 0.000 2.326 456 H HA -0.038 4.518 4.556 -0.000 0.000 0.301 456 H C 1.980 177.229 175.328 -0.133 0.000 1.081 456 H CA 1.703 57.739 56.048 -0.019 0.000 1.334 456 H CB -0.210 29.587 29.762 0.058 0.000 1.385 456 H HN -0.123 nan 8.280 nan 0.000 0.504 457 V N 0.045 119.801 119.914 -0.263 0.000 2.332 457 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 457 V C 2.419 178.292 176.094 -0.367 0.000 1.055 457 V CA 2.255 64.305 62.300 -0.415 0.000 1.038 457 V CB -0.946 30.656 31.823 -0.369 0.000 0.651 457 V HN 0.548 nan 8.190 nan 0.000 0.450 458 T N -1.084 113.317 114.554 -0.255 0.000 2.684 458 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 458 T C 1.846 176.424 174.700 -0.203 0.000 1.036 458 T CA 1.846 63.839 62.100 -0.180 0.000 1.148 458 T CB -0.397 68.344 68.868 -0.212 0.000 0.863 458 T HN 0.534 nan 8.240 nan 0.000 0.436 459 H N 0.254 119.185 119.070 -0.231 0.000 2.353 459 H HA 0.007 4.563 4.556 -0.000 0.000 0.300 459 H C 2.702 177.778 175.328 -0.419 0.000 1.090 459 H CA 0.550 56.418 56.048 -0.299 0.000 1.327 459 H CB -1.052 28.738 29.762 0.046 0.000 1.383 459 H HN 0.391 nan 8.280 nan 0.000 0.508 460 C N 0.366 119.385 119.300 -0.469 0.000 2.425 460 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 460 C C 2.644 177.315 174.990 -0.530 0.000 1.280 460 C CA 0.574 59.070 59.018 -0.871 0.000 1.744 460 C CB -1.274 25.622 27.740 -1.405 0.000 1.989 460 C HN 0.531 nan 8.230 nan 0.000 0.491 461 Y N 1.987 122.031 120.300 -0.427 0.000 2.165 461 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 461 Y C 2.397 178.174 175.900 -0.205 0.000 1.155 461 Y CA 1.771 59.734 58.100 -0.229 0.000 1.164 461 Y CB -0.289 38.132 38.460 -0.064 0.000 0.978 461 Y HN 0.274 nan 8.280 nan 0.000 0.513 462 K N -0.399 119.876 120.400 -0.208 0.000 2.148 462 K HA -0.108 4.211 4.320 -0.000 0.000 0.204 462 K C 2.278 178.738 176.600 -0.234 0.000 1.050 462 K CA 0.850 56.936 56.287 -0.334 0.000 0.942 462 K CB -0.268 31.755 32.500 -0.795 0.000 0.724 462 K HN 0.387 nan 8.250 nan 0.000 0.446 463 A N 1.098 123.819 122.820 -0.165 0.000 1.873 463 A HA -0.120 4.199 4.320 -0.000 0.000 0.215 463 A C 0.767 178.351 177.584 0.000 0.000 1.186 463 A CA 1.228 53.298 52.037 0.056 0.000 0.616 463 A CB 0.121 19.230 19.000 0.182 0.000 0.823 463 A HN 0.294 nan 8.150 nan 0.000 0.442 464 D N -3.457 116.864 120.400 -0.132 0.000 2.795 464 D HA 0.231 4.871 4.640 -0.000 0.000 0.206 464 D C -2.681 173.408 176.300 -0.351 0.000 1.278 464 D CA -1.110 52.791 54.000 -0.165 0.000 0.839 464 D CB 1.389 42.162 40.800 -0.044 0.000 1.700 464 D HN -0.201 nan 8.370 nan 0.000 0.549 465 P HA -0.123 nan 4.420 nan 0.000 0.217 465 P C 1.045 178.218 177.300 -0.212 0.000 1.148 465 P CA 1.686 64.349 63.100 -0.729 0.000 0.834 465 P CB 0.311 31.717 31.700 -0.489 0.000 0.783 466 A N -1.914 120.875 122.820 -0.053 0.000 1.968 466 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 466 A C 2.201 179.815 177.584 0.050 0.000 1.169 466 A CA 1.009 53.118 52.037 0.119 0.000 0.638 466 A CB -1.676 17.544 19.000 0.366 0.000 0.812 466 A HN 0.106 nan 8.150 nan 0.000 0.446 467 Y N 1.016 120.999 120.300 -0.529 0.000 2.109 467 Y HA -0.075 4.475 4.550 -0.000 0.000 0.285 467 Y C 2.487 178.155 175.900 -0.388 0.000 1.131 467 Y CA 1.161 58.832 58.100 -0.715 0.000 1.121 467 Y CB -1.196 36.533 38.460 -1.218 0.000 0.987 467 Y HN 0.230 nan 8.280 nan 0.000 0.495 468 G N -0.204 108.418 108.800 -0.296 0.000 2.476 468 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.218 468 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.218 468 G C 1.664 176.347 174.900 -0.361 0.000 1.164 468 G CA 1.041 45.946 45.100 -0.326 0.000 0.768 468 G HN 0.532 nan 8.290 nan 0.000 0.560 469 E N 0.154 120.309 120.200 -0.075 0.000 2.150 469 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 469 E C 2.663 179.088 176.600 -0.291 0.000 0.985 469 E CA 0.851 57.245 56.400 -0.009 0.000 0.814 469 E CB -0.490 29.302 29.700 0.154 0.000 0.752 469 E HN 0.340 nan 8.360 nan 0.000 0.466 470 G N 1.059 109.463 108.800 -0.659 0.000 2.440 470 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 470 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 470 G C 1.521 175.912 174.900 -0.849 0.000 1.154 470 G CA 1.084 45.346 45.100 -1.396 0.000 0.767 470 G HN 0.249 nan 8.290 nan 0.000 0.552 471 I N 1.036 121.260 120.570 -0.578 0.000 2.333 471 I HA 0.059 4.229 4.170 -0.000 0.000 0.246 471 I C 3.089 179.008 176.117 -0.330 0.000 1.106 471 I CA 0.794 61.922 61.300 -0.286 0.000 1.411 471 I CB -0.509 37.386 38.000 -0.175 0.000 1.082 471 I HN 0.197 nan 8.210 nan 0.000 0.420 472 G N 1.198 109.761 108.800 -0.395 0.000 2.469 472 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 472 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 472 G C 1.741 176.546 174.900 -0.160 0.000 1.150 472 G CA 0.908 45.837 45.100 -0.285 0.000 0.763 472 G HN 0.305 nan 8.290 nan 0.000 0.561 473 K N -0.218 120.104 120.400 -0.130 0.000 2.026 473 K HA 0.088 4.407 4.320 -0.000 0.000 0.208 473 K C 2.532 179.050 176.600 -0.138 0.000 1.048 473 K CA 0.875 57.110 56.287 -0.087 0.000 0.929 473 K CB -0.320 32.140 32.500 -0.066 0.000 0.713 473 K HN 0.258 nan 8.250 nan 0.000 0.439 474 L N 0.837 121.961 121.223 -0.165 0.000 2.131 474 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 474 L C 2.017 178.749 176.870 -0.229 0.000 1.092 474 L CA 0.981 55.735 54.840 -0.144 0.000 0.759 474 L CB -0.306 41.697 42.059 -0.093 0.000 0.903 474 L HN 0.218 nan 8.230 nan 0.000 0.435 475 L N -0.719 120.257 121.223 -0.411 0.000 2.558 475 L HA 0.155 4.495 4.340 -0.000 0.000 0.225 475 L C 1.413 177.891 176.870 -0.654 0.000 1.128 475 L CA 0.525 54.967 54.840 -0.663 0.000 0.868 475 L CB -0.238 41.107 42.059 -1.190 0.000 1.006 475 L HN 0.474 nan 8.230 nan 0.000 0.454 476 G N 0.106 108.678 108.800 -0.379 0.000 2.136 476 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.242 476 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.242 476 G C 0.173 175.102 174.900 0.049 0.000 0.989 476 G CA -0.406 44.611 45.100 -0.139 0.000 0.682 476 G HN 0.255 nan 8.290 nan 0.000 0.522 477 F N 0.406 120.375 119.950 0.031 0.000 2.389 477 F HA 0.438 4.965 4.527 -0.000 0.000 0.337 477 F C 0.920 176.769 175.800 0.081 0.000 1.112 477 F CA -0.830 57.213 58.000 0.073 0.000 1.192 477 F CB 0.817 39.912 39.000 0.159 0.000 1.185 477 F HN 0.075 nan 8.300 nan 0.000 0.552 478 D N 1.904 122.423 120.400 0.199 0.000 2.302 478 D HA 0.097 4.737 4.640 -0.000 0.000 0.248 478 D C 0.969 177.155 176.300 -0.189 0.000 1.094 478 D CA -0.144 53.866 54.000 0.017 0.000 0.897 478 D CB 1.148 41.924 40.800 -0.040 0.000 1.200 478 D HN 0.527 nan 8.370 nan 0.000 0.429 479 I N 2.360 122.741 120.570 -0.315 0.000 2.315 479 I HA -0.293 3.877 4.170 -0.000 0.000 0.251 479 I C 1.860 177.463 176.117 -0.855 0.000 1.125 479 I CA 1.600 62.436 61.300 -0.773 0.000 1.392 479 I CB -0.024 37.760 38.000 -0.359 0.000 1.065 479 I HN 0.524 nan 8.210 nan 0.000 0.424 480 S N -0.412 115.008 115.700 -0.467 0.000 2.474 480 S HA -0.146 4.324 4.470 -0.000 0.000 0.235 480 S C 1.624 176.001 174.600 -0.371 0.000 0.997 480 S CA 0.946 58.925 58.200 -0.369 0.000 0.949 480 S CB -0.521 62.547 63.200 -0.220 0.000 0.766 480 S HN 0.603 nan 8.310 nan 0.000 0.517 481 E N 0.333 120.299 120.200 -0.390 0.000 2.347 481 E HA -0.069 4.280 4.350 -0.000 0.000 0.196 481 E C 1.008 177.465 176.600 -0.239 0.000 1.008 481 E CA 1.184 57.418 56.400 -0.277 0.000 0.852 481 E CB -0.141 29.426 29.700 -0.223 0.000 0.783 481 E HN 1.062 nan 8.360 nan 0.000 0.505 482 Y N -1.838 118.287 120.300 -0.292 0.000 2.666 482 Y HA 0.265 4.815 4.550 -0.000 0.000 0.260 482 Y C 1.007 176.569 175.900 -0.563 0.000 1.089 482 Y CA -0.396 57.498 58.100 -0.344 0.000 1.246 482 Y CB -0.560 37.741 38.460 -0.265 0.000 1.353 482 Y HN -0.105 nan 8.280 nan 0.000 0.558 483 N N 1.513 119.731 118.700 -0.803 0.000 2.398 483 N HA 0.050 4.790 4.740 -0.000 0.000 0.188 483 N C 0.149 175.369 175.510 -0.483 0.000 1.122 483 N CA 0.753 53.169 53.050 -1.057 0.000 0.866 483 N CB -0.082 37.875 38.487 -0.883 0.000 0.970 483 N HN 0.423 nan 8.380 nan 0.000 0.462 484 S N 0.000 115.517 115.700 -0.305 0.000 2.498 484 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 484 S CA 0.000 58.110 58.200 -0.151 0.000 1.107 484 S CB 0.000 63.123 63.200 -0.127 0.000 0.593 484 S HN 0.000 nan 8.310 nan 0.000 0.517