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_F 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 0.000 174.589 174.600 -0.019 0.000 1.055 3 S CA 0.000 58.188 58.200 -0.021 0.000 1.107 3 S CB 0.000 63.190 63.200 -0.016 0.000 0.593 4 K N 1.163 121.550 120.400 -0.021 0.000 2.358 4 K HA 0.297 4.617 4.320 -0.000 0.000 0.197 4 K C -0.315 176.265 176.600 -0.034 0.000 1.025 4 K CA -0.067 56.208 56.287 -0.020 0.000 1.104 4 K CB 0.510 33.002 32.500 -0.014 0.000 0.855 4 K HN 0.223 nan 8.250 nan 0.000 0.531 5 K N 1.758 122.130 120.400 -0.046 0.000 2.368 5 K HA 0.082 4.402 4.320 -0.000 0.000 0.282 5 K C -0.364 176.181 176.600 -0.090 0.000 1.035 5 K CA -0.420 55.826 56.287 -0.068 0.000 0.973 5 K CB 0.689 33.147 32.500 -0.070 0.000 0.957 5 K HN -0.098 nan 8.250 nan 0.000 0.474 6 L N 3.410 124.557 121.223 -0.126 0.000 2.367 6 L HA 0.148 4.488 4.340 -0.000 0.000 0.275 6 L C 0.044 176.760 176.870 -0.256 0.000 1.129 6 L CA 0.690 55.422 54.840 -0.181 0.000 0.839 6 L CB 0.793 42.721 42.059 -0.219 0.000 1.133 6 L HN 0.815 nan 8.230 nan 0.000 0.453 7 T N 0.366 114.774 114.554 -0.244 0.000 2.907 7 T HA 0.679 5.029 4.350 -0.000 0.000 0.290 7 T C 0.217 174.742 174.700 -0.293 0.000 1.066 7 T CA -0.138 61.810 62.100 -0.253 0.000 1.012 7 T CB 1.163 69.953 68.868 -0.130 0.000 1.184 7 T HN 0.793 nan 8.240 nan 0.000 0.522 8 T N -0.994 113.439 114.554 -0.202 0.000 2.726 8 T HA 0.501 4.851 4.350 -0.000 0.000 0.294 8 T C 1.852 176.577 174.700 0.043 0.000 1.013 8 T CA -0.222 61.892 62.100 0.023 0.000 0.996 8 T CB 0.014 68.940 68.868 0.098 0.000 1.016 8 T HN 1.041 nan 8.240 nan 0.000 0.529 9 A N 0.340 123.207 122.820 0.078 0.000 2.070 9 A HA 0.270 4.590 4.320 -0.000 0.000 0.220 9 A C 2.354 179.960 177.584 0.038 0.000 1.159 9 A CA 1.361 53.419 52.037 0.034 0.000 0.656 9 A CB -1.260 17.757 19.000 0.030 0.000 0.800 9 A HN 1.238 nan 8.150 nan 0.000 0.453 10 A N -1.890 120.955 122.820 0.043 0.000 2.307 10 A HA 0.448 4.768 4.320 -0.000 0.000 0.218 10 A C 1.623 179.212 177.584 0.008 0.000 1.228 10 A CA 1.000 53.054 52.037 0.030 0.000 0.857 10 A CB -0.838 18.186 19.000 0.039 0.000 0.897 10 A HN 1.801 nan 8.150 nan 0.000 0.495 11 G N -1.538 107.258 108.800 -0.007 0.000 2.143 11 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.249 11 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.249 11 G C 0.380 175.254 174.900 -0.043 0.000 0.981 11 G CA 0.199 45.282 45.100 -0.027 0.000 0.665 11 G HN 1.071 nan 8.290 nan 0.000 0.528 12 C N 2.118 121.392 119.300 -0.044 0.000 2.585 12 C HA 0.603 5.063 4.460 -0.000 0.000 0.406 12 C C -1.344 173.577 174.990 -0.115 0.000 1.312 12 C CA -1.900 57.083 59.018 -0.058 0.000 1.924 12 C CB 0.115 27.837 27.740 -0.031 0.000 2.578 12 C HN 0.379 nan 8.230 nan 0.000 0.580 13 P HA 0.058 nan 4.420 nan 0.000 0.264 13 P C -0.810 176.353 177.300 -0.228 0.000 1.183 13 P CA 0.369 63.372 63.100 -0.161 0.000 0.763 13 P CB 0.262 31.888 31.700 -0.122 0.000 0.807 14 V N 3.629 123.336 119.914 -0.345 0.000 2.364 14 V HA 0.285 4.405 4.120 -0.000 0.000 0.272 14 V C 1.282 177.159 176.094 -0.361 0.000 1.036 14 V CA 0.242 62.255 62.300 -0.479 0.000 0.880 14 V CB 0.583 31.817 31.823 -0.983 0.000 0.991 14 V HN 0.665 nan 8.190 nan 0.000 0.460 15 A N 3.894 126.528 122.820 -0.309 0.000 2.021 15 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 15 A C 0.827 178.063 177.584 -0.581 0.000 1.163 15 A CA 0.774 52.548 52.037 -0.437 0.000 0.676 15 A CB 0.032 18.731 19.000 -0.501 0.000 0.818 15 A HN 0.794 nan 8.150 nan 0.000 0.453 16 H N -0.800 118.233 119.070 -0.062 0.000 2.970 16 H HA 0.277 4.833 4.556 -0.000 0.000 0.315 16 H C -0.809 174.577 175.328 0.097 0.000 0.992 16 H CA -0.374 55.687 56.048 0.022 0.000 1.363 16 H CB 1.074 30.872 29.762 0.059 0.000 1.532 16 H HN 0.375 nan 8.280 nan 0.000 0.514 17 N N 1.278 120.087 118.700 0.182 0.000 2.197 17 N HA -0.017 4.723 4.740 -0.000 0.000 0.228 17 N C 0.598 176.232 175.510 0.206 0.000 1.212 17 N CA 0.107 53.321 53.050 0.273 0.000 0.883 17 N CB 0.733 39.335 38.487 0.192 0.000 1.107 17 N HN 0.387 nan 8.380 nan 0.000 0.519 18 Q N -0.911 118.990 119.800 0.168 0.000 2.342 18 Q HA 0.340 4.680 4.340 -0.000 0.000 0.261 18 Q C -0.579 175.479 176.000 0.097 0.000 0.841 18 Q CA 0.419 56.289 55.803 0.113 0.000 0.969 18 Q CB 0.675 29.462 28.738 0.083 0.000 1.136 18 Q HN 0.207 nan 8.270 nan 0.000 0.528 19 N N 1.212 119.979 118.700 0.112 0.000 2.410 19 N HA 0.273 5.013 4.740 -0.000 0.000 0.287 19 N C -0.300 175.235 175.510 0.041 0.000 1.044 19 N CA -0.173 52.909 53.050 0.053 0.000 0.881 19 N CB 3.296 41.797 38.487 0.022 0.000 1.405 19 N HN -0.085 nan 8.380 nan 0.000 0.490 20 V N -0.016 119.899 119.914 0.002 0.000 3.003 20 V HA 0.255 4.375 4.120 -0.000 0.000 0.305 20 V C 0.653 176.698 176.094 -0.081 0.000 1.078 20 V CA -0.596 61.682 62.300 -0.036 0.000 1.083 20 V CB 0.831 32.553 31.823 -0.168 0.000 1.039 20 V HN 0.620 nan 8.190 nan 0.000 0.481 21 Q N 1.655 121.406 119.800 -0.081 0.000 2.296 21 Q HA 0.468 4.808 4.340 -0.000 0.000 0.262 21 Q C 0.023 175.968 176.000 -0.092 0.000 0.981 21 Q CA 0.026 55.774 55.803 -0.091 0.000 0.905 21 Q CB 0.923 29.625 28.738 -0.061 0.000 1.186 21 Q HN 1.132 nan 8.270 nan 0.000 0.399 22 T N -0.650 113.855 114.554 -0.082 0.000 2.916 22 T HA 0.698 5.048 4.350 -0.000 0.000 0.292 22 T C -0.517 174.151 174.700 -0.054 0.000 1.064 22 T CA -0.896 61.161 62.100 -0.072 0.000 1.011 22 T CB 1.644 70.470 68.868 -0.070 0.000 1.152 22 T HN 0.517 nan 8.240 nan 0.000 0.510 23 A N 1.254 124.047 122.820 -0.046 0.000 2.922 23 A HA 0.694 5.014 4.320 -0.000 0.000 0.298 23 A C 1.215 178.780 177.584 -0.031 0.000 1.588 23 A CA 0.201 52.217 52.037 -0.034 0.000 1.288 23 A CB -1.627 17.356 19.000 -0.029 0.000 1.130 23 A HN 2.168 nan 8.150 nan 0.000 0.557 24 G N 1.333 110.114 108.800 -0.032 0.000 2.781 24 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.683 24 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.683 24 G C 0.548 175.429 174.900 -0.031 0.000 1.390 24 G CA 0.026 45.109 45.100 -0.028 0.000 0.850 24 G HN 0.629 nan 8.290 nan 0.000 0.557 25 K N -0.201 120.183 120.400 -0.026 0.000 2.063 25 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 25 K C 1.922 178.506 176.600 -0.027 0.000 1.048 25 K CA 1.580 57.852 56.287 -0.026 0.000 0.928 25 K CB -0.085 32.404 32.500 -0.019 0.000 0.713 25 K HN 0.304 nan 8.250 nan 0.000 0.442 26 R N 0.425 120.910 120.500 -0.025 0.000 2.633 26 R HA 0.192 4.532 4.340 -0.000 0.000 0.348 26 R C 0.244 176.527 176.300 -0.028 0.000 1.100 26 R CA -0.062 56.023 56.100 -0.025 0.000 1.068 26 R CB 1.016 31.305 30.300 -0.019 0.000 1.351 26 R HN 0.106 nan 8.270 nan 0.000 0.575 27 G N 1.595 110.375 108.800 -0.032 0.000 2.488 27 G HA2 0.526 4.486 3.960 -0.000 0.000 0.318 27 G HA3 0.526 4.486 3.960 -0.000 0.000 0.318 27 G C -2.533 172.340 174.900 -0.044 0.000 1.188 27 G CA -1.016 44.063 45.100 -0.034 0.000 0.944 27 G HN -0.095 nan 8.290 nan 0.000 0.495 28 P HA 0.186 nan 4.420 nan 0.000 0.274 28 P C -0.349 176.908 177.300 -0.071 0.000 1.246 28 P CA -0.520 62.547 63.100 -0.055 0.000 0.795 28 P CB 0.609 32.283 31.700 -0.043 0.000 1.006 29 Q N 0.537 120.278 119.800 -0.099 0.000 2.352 29 Q HA 0.219 4.559 4.340 -0.000 0.000 0.260 29 Q C -0.736 175.205 176.000 -0.098 0.000 0.976 29 Q CA -0.190 55.533 55.803 -0.133 0.000 0.881 29 Q CB 0.122 28.724 28.738 -0.226 0.000 1.235 29 Q HN 0.351 nan 8.270 nan 0.000 0.419 30 L N 4.407 125.578 121.223 -0.086 0.000 2.312 30 L HA 0.091 4.431 4.340 -0.000 0.000 0.281 30 L C 1.053 177.904 176.870 -0.032 0.000 1.070 30 L CA -0.481 54.330 54.840 -0.047 0.000 0.805 30 L CB 0.769 42.809 42.059 -0.032 0.000 1.174 30 L HN 0.777 nan 8.230 nan 0.000 0.434 31 L N 2.911 124.132 121.223 -0.004 0.000 2.131 31 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 31 L C 2.368 179.271 176.870 0.054 0.000 1.092 31 L CA 1.696 56.553 54.840 0.030 0.000 0.759 31 L CB -0.487 41.590 42.059 0.030 0.000 0.903 31 L HN 0.828 nan 8.230 nan 0.000 0.435 32 Q N -1.373 118.452 119.800 0.041 0.000 2.515 32 Q HA -0.112 4.227 4.340 -0.000 0.000 0.212 32 Q C 0.170 176.217 176.000 0.079 0.000 0.970 32 Q CA 0.409 56.245 55.803 0.056 0.000 0.941 32 Q CB -0.589 28.172 28.738 0.039 0.000 0.998 32 Q HN 0.367 nan 8.270 nan 0.000 0.518 33 D N 1.901 122.352 120.400 0.085 0.000 2.455 33 D HA -0.004 4.636 4.640 -0.000 0.000 0.234 33 D C 1.157 177.582 176.300 0.209 0.000 1.224 33 D CA -0.081 54.003 54.000 0.140 0.000 0.999 33 D CB 1.303 42.166 40.800 0.106 0.000 1.072 33 D HN 0.231 nan 8.370 nan 0.000 0.514 34 V N 2.823 122.856 119.914 0.198 0.000 2.719 34 V HA -0.018 4.102 4.120 -0.000 0.000 0.252 34 V C 2.061 178.295 176.094 0.233 0.000 1.065 34 V CA 0.409 62.821 62.300 0.187 0.000 1.086 34 V CB -0.791 31.122 31.823 0.149 0.000 0.700 34 V HN 0.607 nan 8.190 nan 0.000 0.467 35 W N 0.590 121.950 121.300 0.099 0.000 2.381 35 W HA -0.200 4.460 4.660 -0.000 0.000 0.301 35 W C 2.263 178.831 176.519 0.081 0.000 1.205 35 W CA 1.484 58.873 57.345 0.074 0.000 1.285 35 W CB -0.347 29.157 29.460 0.073 0.000 1.133 35 W HN 0.392 nan 8.180 nan 0.000 0.521 36 F N 1.954 121.828 119.950 -0.127 0.000 2.065 36 F HA -0.301 4.225 4.527 -0.000 0.000 0.298 36 F C 2.283 177.950 175.800 -0.222 0.000 1.112 36 F CA 2.676 60.533 58.000 -0.237 0.000 1.212 36 F CB -0.973 37.978 39.000 -0.081 0.000 0.975 36 F HN -0.211 nan 8.300 nan 0.000 0.476 37 L N 0.165 121.307 121.223 -0.135 0.000 2.012 37 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 37 L C 2.613 179.331 176.870 -0.253 0.000 1.073 37 L CA 2.088 56.811 54.840 -0.195 0.000 0.748 37 L CB -0.967 41.120 42.059 0.047 0.000 0.891 37 L HN 0.336 nan 8.230 nan 0.000 0.431 38 E N 0.619 120.708 120.200 -0.186 0.000 2.028 38 E HA -0.272 4.078 4.350 -0.000 0.000 0.191 38 E C 2.276 178.717 176.600 -0.266 0.000 0.988 38 E CA 1.232 57.566 56.400 -0.109 0.000 0.799 38 E CB 0.044 29.748 29.700 0.008 0.000 0.755 38 E HN 0.278 nan 8.360 nan 0.000 0.447 39 K N 0.159 120.127 120.400 -0.719 0.000 2.032 39 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 39 K C 2.205 178.548 176.600 -0.428 0.000 1.048 39 K CA 1.159 56.965 56.287 -0.801 0.000 0.927 39 K CB -0.024 31.692 32.500 -1.307 0.000 0.712 39 K HN 0.195 nan 8.250 nan 0.000 0.441 40 L N 0.443 121.346 121.223 -0.533 0.000 2.109 40 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 40 L C 2.530 179.325 176.870 -0.124 0.000 1.086 40 L CA 1.675 56.297 54.840 -0.363 0.000 0.760 40 L CB -1.309 40.331 42.059 -0.699 0.000 0.910 40 L HN 0.270 nan 8.230 nan 0.000 0.437 41 A N -1.180 121.547 122.820 -0.156 0.000 1.902 41 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 41 A C 2.125 179.662 177.584 -0.079 0.000 1.181 41 A CA 1.196 53.176 52.037 -0.096 0.000 0.623 41 A CB -0.724 18.220 19.000 -0.092 0.000 0.818 41 A HN 0.460 nan 8.150 nan 0.000 0.443 42 H N -2.398 116.608 119.070 -0.107 0.000 2.357 42 H HA -0.129 4.427 4.556 -0.000 0.000 0.301 42 H C 2.024 177.316 175.328 -0.061 0.000 1.082 42 H CA 1.795 57.796 56.048 -0.079 0.000 1.342 42 H CB -0.353 29.367 29.762 -0.070 0.000 1.389 42 H HN 0.599 nan 8.280 nan 0.000 0.511 43 F N 2.629 122.545 119.950 -0.057 0.000 2.120 43 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 43 F C 1.739 177.481 175.800 -0.098 0.000 1.095 43 F CA 1.514 59.456 58.000 -0.096 0.000 1.249 43 F CB -0.273 38.648 39.000 -0.132 0.000 0.995 43 F HN -0.008 nan 8.300 nan 0.000 0.480 44 D N 0.053 120.346 120.400 -0.179 0.000 2.351 44 D HA -0.100 4.539 4.640 -0.000 0.000 0.216 44 D C 1.618 177.764 176.300 -0.257 0.000 0.968 44 D CA 0.968 54.811 54.000 -0.261 0.000 0.899 44 D CB -0.233 40.505 40.800 -0.105 0.000 0.907 44 D HN 0.413 nan 8.370 nan 0.000 0.514 45 R N -0.099 120.265 120.500 -0.226 0.000 2.596 45 R HA 0.180 4.520 4.340 -0.000 0.000 0.369 45 R C 1.257 177.440 176.300 -0.194 0.000 1.042 45 R CA -0.117 55.869 56.100 -0.190 0.000 1.120 45 R CB 0.638 30.834 30.300 -0.175 0.000 1.353 45 R HN 0.107 nan 8.270 nan 0.000 0.564 46 E N 0.444 120.491 120.200 -0.254 0.000 2.110 46 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 46 E C 0.205 176.639 176.600 -0.277 0.000 0.988 46 E CA 0.891 57.118 56.400 -0.288 0.000 0.804 46 E CB 0.292 29.805 29.700 -0.312 0.000 0.745 46 E HN -0.001 nan 8.360 nan 0.000 0.458 47 V N 3.054 122.853 119.914 -0.192 0.000 2.498 47 V HA 0.185 4.304 4.120 -0.000 0.000 0.279 47 V C 0.367 176.448 176.094 -0.021 0.000 1.048 47 V CA -0.261 61.988 62.300 -0.085 0.000 0.967 47 V CB 0.706 32.477 31.823 -0.087 0.000 0.988 47 V HN 0.122 nan 8.190 nan 0.000 0.473 48 I N 2.685 123.302 120.570 0.078 0.000 3.023 48 I HA 0.749 4.919 4.170 -0.000 0.000 0.312 48 I C -2.576 173.555 176.117 0.023 0.000 1.056 48 I CA -2.867 58.458 61.300 0.041 0.000 1.033 48 I CB 1.680 39.731 38.000 0.084 0.000 1.233 48 I HN 0.349 nan 8.210 nan 0.000 0.462 49 P HA 0.083 nan 4.420 nan 0.000 0.268 49 P C -0.887 176.434 177.300 0.035 0.000 1.204 49 P CA -0.085 63.021 63.100 0.009 0.000 0.768 49 P CB 0.402 32.103 31.700 0.002 0.000 0.842 50 E N 2.942 123.177 120.200 0.058 0.000 2.409 50 E HA 0.119 4.469 4.350 -0.000 0.000 0.257 50 E C -0.439 176.198 176.600 0.061 0.000 1.150 50 E CA -0.714 55.726 56.400 0.065 0.000 0.942 50 E CB 0.567 30.311 29.700 0.074 0.000 0.979 50 E HN 0.258 nan 8.360 nan 0.000 0.447 51 R N 0.929 121.464 120.500 0.058 0.000 2.640 51 R HA 0.035 4.375 4.340 -0.000 0.000 0.270 51 R C 0.461 176.801 176.300 0.067 0.000 1.024 51 R CA -0.256 55.876 56.100 0.052 0.000 1.085 51 R CB 0.348 30.687 30.300 0.065 0.000 0.963 51 R HN 0.457 nan 8.270 nan 0.000 0.426 55 A N 0.834 123.744 122.820 0.150 0.000 2.019 55 A HA -0.106 4.213 4.320 -0.000 0.000 0.219 55 A C 1.388 179.054 177.584 0.137 0.000 1.164 55 A CA 1.266 53.378 52.037 0.124 0.000 0.644 55 A CB 0.022 19.078 19.000 0.094 0.000 0.805 55 A HN 0.127 nan 8.150 nan 0.000 0.449 56 K N -0.109 120.372 120.400 0.136 0.000 2.240 56 K HA 0.544 4.863 4.320 -0.000 0.000 0.271 56 K C -0.121 176.594 176.600 0.192 0.000 1.018 56 K CA 0.592 56.971 56.287 0.153 0.000 0.874 56 K CB 0.915 33.485 32.500 0.117 0.000 1.098 56 K HN 0.315 nan 8.250 nan 0.000 0.458 57 G N 0.853 109.796 108.800 0.239 0.000 2.559 57 G HA2 0.524 4.484 3.960 -0.000 0.000 0.291 57 G HA3 0.524 4.484 3.960 -0.000 0.000 0.291 57 G C -1.557 173.529 174.900 0.311 0.000 1.424 57 G CA -0.773 44.460 45.100 0.223 0.000 0.786 57 G HN 0.469 nan 8.290 nan 0.000 0.485 58 S N -1.433 114.383 115.700 0.194 0.000 2.547 58 S HA 0.856 5.325 4.470 -0.000 0.000 0.281 58 S C -0.020 174.564 174.600 -0.025 0.000 1.118 58 S CA -0.258 58.094 58.200 0.253 0.000 0.947 58 S CB 1.939 65.393 63.200 0.424 0.000 1.053 58 S HN 1.331 nan 8.310 nan 0.000 0.482 59 G N 0.464 109.238 108.800 -0.043 0.000 2.533 59 G HA2 0.857 4.817 3.960 -0.000 0.000 0.304 59 G HA3 0.857 4.817 3.960 -0.000 0.000 0.304 59 G C -1.346 173.395 174.900 -0.265 0.000 1.263 59 G CA -0.799 44.073 45.100 -0.381 0.000 0.964 59 G HN 1.034 nan 8.290 nan 0.000 0.479 60 A N -0.033 122.433 122.820 -0.590 0.000 2.604 60 A HA 0.716 5.036 4.320 -0.000 0.000 0.295 60 A C -1.755 175.611 177.584 -0.362 0.000 1.067 60 A CA -0.742 51.147 52.037 -0.245 0.000 0.683 60 A CB 0.824 19.817 19.000 -0.012 0.000 1.281 60 A HN 0.645 nan 8.150 nan 0.000 0.407 61 Y N 0.431 120.782 120.300 0.085 0.000 2.335 61 Y HA 0.630 5.180 4.550 -0.000 0.000 0.323 61 Y C 1.235 177.155 175.900 0.033 0.000 1.224 61 Y CA 1.078 59.242 58.100 0.107 0.000 1.241 61 Y CB 1.896 40.447 38.460 0.152 0.000 1.235 61 Y HN 1.061 nan 8.280 nan 0.000 0.492 62 G N -0.248 108.670 108.800 0.197 0.000 2.731 62 G HA2 0.596 4.556 3.960 -0.000 0.000 0.309 62 G HA3 0.596 4.556 3.960 -0.000 0.000 0.309 62 G C -1.525 173.488 174.900 0.188 0.000 1.273 62 G CA -0.871 44.328 45.100 0.164 0.000 0.798 62 G HN 0.393 nan 8.290 nan 0.000 0.509 63 T N 0.357 115.058 114.554 0.245 0.000 2.971 63 T HA 0.482 4.832 4.350 -0.000 0.000 0.304 63 T C -1.681 173.272 174.700 0.422 0.000 1.038 63 T CA -0.232 62.035 62.100 0.278 0.000 1.007 63 T CB 1.667 70.646 68.868 0.184 0.000 1.055 63 T HN 0.534 nan 8.240 nan 0.000 0.451 64 F N 2.796 122.947 119.950 0.335 0.000 2.404 64 F HA 0.657 5.184 4.527 -0.000 0.000 0.339 64 F C -0.157 175.831 175.800 0.314 0.000 1.105 64 F CA -0.182 58.077 58.000 0.430 0.000 1.087 64 F CB 1.186 40.509 39.000 0.539 0.000 1.143 64 F HN 0.420 nan 8.300 nan 0.000 0.491 65 T N 5.755 119.967 114.554 -0.569 0.000 2.840 65 T HA 0.370 4.720 4.350 -0.000 0.000 0.287 65 T C -0.847 173.460 174.700 -0.655 0.000 0.991 65 T CA -0.603 61.245 62.100 -0.419 0.000 0.964 65 T CB 1.331 70.122 68.868 -0.128 0.000 0.954 65 T HN 0.407 nan 8.240 nan 0.000 0.438 66 V N 4.163 123.860 119.914 -0.362 0.000 2.529 66 V HA 0.155 4.274 4.120 -0.000 0.000 0.292 66 V C 1.711 177.781 176.094 -0.040 0.000 1.028 66 V CA 0.491 62.741 62.300 -0.084 0.000 1.074 66 V CB 0.532 32.441 31.823 0.142 0.000 0.958 66 V HN 1.170 nan 8.190 nan 0.000 0.481 67 T N 0.526 115.098 114.554 0.030 0.000 2.969 67 T HA 0.236 4.586 4.350 -0.000 0.000 0.250 67 T C 0.401 174.952 174.700 -0.250 0.000 1.021 67 T CA 0.140 62.209 62.100 -0.052 0.000 1.003 67 T CB 0.089 68.977 68.868 0.034 0.000 1.040 67 T HN 0.687 nan 8.240 nan 0.000 0.492 68 H N 0.114 119.213 119.070 0.049 0.000 2.928 68 H HA 0.630 5.186 4.556 -0.000 0.000 0.371 68 H C -1.538 173.814 175.328 0.039 0.000 1.186 68 H CA -0.969 55.102 56.048 0.039 0.000 1.134 68 H CB 1.432 31.216 29.762 0.037 0.000 1.824 68 H HN -0.016 nan 8.280 nan 0.000 0.554 69 D N 2.037 122.518 120.400 0.135 0.000 2.396 69 D HA 0.125 4.765 4.640 -0.000 0.000 0.225 69 D C 0.347 176.663 176.300 0.027 0.000 1.121 69 D CA -0.274 53.761 54.000 0.058 0.000 0.853 69 D CB 0.429 41.239 40.800 0.016 0.000 1.043 69 D HN 0.622 nan 8.370 nan 0.000 0.500 70 I N 0.853 121.425 120.570 0.003 0.000 3.877 70 I HA 0.158 4.328 4.170 -0.000 0.000 0.332 70 I C 1.437 177.470 176.117 -0.140 0.000 1.525 70 I CA -0.429 60.859 61.300 -0.021 0.000 1.146 70 I CB 0.252 38.271 38.000 0.032 0.000 1.137 70 I HN 0.107 nan 8.210 nan 0.000 0.424 71 T N -2.626 111.848 114.554 -0.134 0.000 3.113 71 T HA -0.057 4.293 4.350 -0.000 0.000 0.263 71 T C 1.633 176.207 174.700 -0.210 0.000 1.143 71 T CA 0.665 62.681 62.100 -0.139 0.000 1.090 71 T CB -0.217 68.608 68.868 -0.071 0.000 0.922 71 T HN 0.473 nan 8.240 nan 0.000 0.521 72 K N 0.127 120.301 120.400 -0.376 0.000 2.147 72 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 72 K C 1.137 177.460 176.600 -0.462 0.000 1.049 72 K CA 1.256 57.252 56.287 -0.484 0.000 0.936 72 K CB -0.152 31.890 32.500 -0.763 0.000 0.722 72 K HN 0.543 nan 8.250 nan 0.000 0.446 73 Y N -0.664 119.473 120.300 -0.272 0.000 2.503 73 Y HA 0.154 4.704 4.550 -0.000 0.000 0.277 73 Y C 0.985 176.769 175.900 -0.194 0.000 1.102 73 Y CA 0.255 58.115 58.100 -0.401 0.000 1.261 73 Y CB 0.540 38.734 38.460 -0.443 0.000 1.096 73 Y HN -0.149 nan 8.280 nan 0.000 0.546 74 T N 0.384 114.824 114.554 -0.189 0.000 2.993 74 T HA 0.270 4.620 4.350 -0.000 0.000 0.312 74 T C -0.050 174.555 174.700 -0.159 0.000 1.115 74 T CA -0.894 61.035 62.100 -0.285 0.000 1.027 74 T CB 1.047 69.353 68.868 -0.938 0.000 1.116 74 T HN 0.299 nan 8.240 nan 0.000 0.464 75 K N 2.693 123.042 120.400 -0.085 0.000 2.437 75 K HA 0.554 4.874 4.320 -0.000 0.000 0.198 75 K C 0.674 177.249 176.600 -0.042 0.000 1.024 75 K CA -0.411 55.850 56.287 -0.044 0.000 1.148 75 K CB 0.282 32.773 32.500 -0.016 0.000 0.860 75 K HN 0.465 nan 8.250 nan 0.000 0.515 76 A N 2.155 124.924 122.820 -0.085 0.000 2.524 76 A HA 0.070 4.390 4.320 -0.000 0.000 0.250 76 A C 0.824 178.327 177.584 -0.135 0.000 1.078 76 A CA -0.421 51.530 52.037 -0.144 0.000 0.761 76 A CB 0.438 19.283 19.000 -0.258 0.000 1.012 76 A HN 0.168 nan 8.150 nan 0.000 0.500 77 K N 2.452 122.776 120.400 -0.126 0.000 2.103 77 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 77 K C 1.654 178.189 176.600 -0.108 0.000 1.048 77 K CA 1.550 57.792 56.287 -0.075 0.000 0.930 77 K CB -0.508 31.970 32.500 -0.036 0.000 0.716 77 K HN 0.861 nan 8.250 nan 0.000 0.444 78 I N 0.202 120.607 120.570 -0.275 0.000 2.423 78 I HA -0.253 3.916 4.170 -0.000 0.000 0.254 78 I C 0.755 176.745 176.117 -0.211 0.000 1.151 78 I CA 1.335 62.437 61.300 -0.332 0.000 1.421 78 I CB 0.095 37.704 38.000 -0.652 0.000 1.079 78 I HN -0.060 nan 8.210 nan 0.000 0.431 79 F N -0.076 119.908 119.950 0.057 0.000 2.653 79 F HA 0.167 4.694 4.527 -0.000 0.000 0.304 79 F C 2.455 178.274 175.800 0.031 0.000 1.092 79 F CA 0.335 58.385 58.000 0.083 0.000 1.279 79 F CB -0.839 38.159 39.000 -0.003 0.000 1.044 79 F HN 0.082 nan 8.300 nan 0.000 0.564 80 S N -1.202 114.579 115.700 0.136 0.000 2.399 80 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 80 S C 0.341 174.982 174.600 0.069 0.000 1.022 80 S CA 0.948 59.193 58.200 0.075 0.000 0.983 80 S CB -0.171 63.051 63.200 0.036 0.000 0.803 80 S HN 0.220 nan 8.310 nan 0.000 0.480 81 D N 0.274 120.724 120.400 0.083 0.000 2.879 81 D HA 0.394 5.034 4.640 -0.000 0.000 0.236 81 D C -0.751 175.588 176.300 0.065 0.000 1.171 81 D CA -0.556 53.479 54.000 0.058 0.000 0.868 81 D CB 1.847 42.670 40.800 0.039 0.000 1.598 81 D HN 0.178 nan 8.370 nan 0.000 0.497 82 I N 1.231 121.824 120.570 0.039 0.000 2.752 82 I HA 0.045 4.215 4.170 -0.000 0.000 0.289 82 I C 1.625 177.746 176.117 0.006 0.000 1.197 82 I CA 1.160 62.469 61.300 0.015 0.000 1.432 82 I CB 0.255 38.243 38.000 -0.020 0.000 1.359 82 I HN 0.855 nan 8.210 nan 0.000 0.571 83 G N 4.747 113.544 108.800 -0.004 0.000 2.195 83 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.246 83 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.246 83 G C 0.453 175.361 174.900 0.013 0.000 0.984 83 G CA 0.005 45.102 45.100 -0.004 0.000 0.633 83 G HN 0.627 nan 8.290 nan 0.000 0.525 84 K N 1.323 121.743 120.400 0.033 0.000 2.416 84 K HA 0.398 4.717 4.320 -0.000 0.000 0.283 84 K C 0.131 176.774 176.600 0.071 0.000 1.037 84 K CA 0.179 56.501 56.287 0.059 0.000 0.995 84 K CB 0.156 32.706 32.500 0.083 0.000 0.938 84 K HN 0.262 nan 8.250 nan 0.000 0.475 85 K N 2.681 123.133 120.400 0.087 0.000 2.206 85 K HA 0.262 4.582 4.320 -0.000 0.000 0.264 85 K C -1.073 175.635 176.600 0.180 0.000 0.967 85 K CA -0.667 55.692 56.287 0.121 0.000 0.844 85 K CB 2.083 34.639 32.500 0.093 0.000 1.099 85 K HN 0.483 nan 8.250 nan 0.000 0.441 86 T N 1.936 116.660 114.554 0.284 0.000 2.812 86 T HA 0.196 4.546 4.350 -0.000 0.000 0.282 86 T C -0.743 174.163 174.700 0.344 0.000 0.990 86 T CA -0.955 61.333 62.100 0.312 0.000 0.960 86 T CB 1.108 70.194 68.868 0.363 0.000 0.948 86 T HN 0.399 nan 8.240 nan 0.000 0.438 87 D N 3.470 124.045 120.400 0.291 0.000 2.382 87 D HA 0.440 5.080 4.640 -0.000 0.000 0.240 87 D C 0.437 176.979 176.300 0.404 0.000 1.146 87 D CA 0.060 54.248 54.000 0.315 0.000 0.897 87 D CB 0.651 41.591 40.800 0.234 0.000 1.197 87 D HN 0.610 nan 8.370 nan 0.000 0.432 88 M N -0.564 119.222 119.600 0.310 0.000 2.721 88 M HA 0.618 5.098 4.480 -0.000 0.000 0.271 88 M C -1.845 174.517 176.300 0.103 0.000 1.259 88 M CA -1.082 54.197 55.300 -0.034 0.000 0.835 88 M CB 2.593 34.919 32.600 -0.458 0.000 1.689 88 M HN 0.214 nan 8.290 nan 0.000 0.470 89 F N 1.120 120.845 119.950 -0.375 0.000 2.556 89 F HA 0.911 5.438 4.527 -0.000 0.000 0.314 89 F C -1.729 173.736 175.800 -0.560 0.000 1.106 89 F CA -0.346 57.401 58.000 -0.421 0.000 0.911 89 F CB 2.056 40.818 39.000 -0.396 0.000 1.190 89 F HN 0.973 nan 8.300 nan 0.000 0.448 90 A N 5.789 127.736 122.820 -1.455 0.000 2.401 90 A HA 0.844 5.163 4.320 -0.000 0.000 0.310 90 A C -1.374 175.178 177.584 -1.720 0.000 1.075 90 A CA -0.891 50.258 52.037 -1.482 0.000 0.746 90 A CB 1.586 19.705 19.000 -1.468 0.000 1.277 90 A HN 0.881 nan 8.150 nan 0.000 0.425 91 R N 1.724 121.350 120.500 -1.458 0.000 2.513 91 R HA 0.649 4.989 4.340 -0.000 0.000 0.301 91 R C -1.855 173.736 176.300 -1.181 0.000 0.968 91 R CA -0.369 55.072 56.100 -1.099 0.000 0.872 91 R CB 0.922 30.902 30.300 -0.534 0.000 1.177 91 R HN 0.623 nan 8.270 nan 0.000 0.444 92 F N 1.696 121.209 119.950 -0.730 0.000 2.483 92 F HA 0.595 5.122 4.527 -0.000 0.000 0.329 92 F C 0.384 175.792 175.800 -0.653 0.000 1.064 92 F CA -0.439 57.025 58.000 -0.894 0.000 0.986 92 F CB 2.265 40.327 39.000 -1.563 0.000 1.218 92 F HN 0.608 nan 8.300 nan 0.000 0.484 93 S N -1.166 114.431 115.700 -0.172 0.000 2.587 93 S HA 0.563 5.033 4.470 -0.000 0.000 0.269 93 S C -0.677 174.062 174.600 0.230 0.000 1.154 93 S CA -0.942 57.328 58.200 0.116 0.000 0.824 93 S CB 1.201 64.507 63.200 0.178 0.000 1.118 93 S HN 0.765 nan 8.310 nan 0.000 0.462 94 T N -1.240 113.424 114.554 0.182 0.000 2.833 94 T HA 0.690 5.040 4.350 -0.000 0.000 0.292 94 T C 0.861 175.487 174.700 -0.124 0.000 1.031 94 T CA -0.073 62.072 62.100 0.074 0.000 0.937 94 T CB 0.351 69.252 68.868 0.055 0.000 1.256 94 T HN 0.655 nan 8.240 nan 0.000 0.551 95 V N -0.204 119.607 119.914 -0.172 0.000 2.950 95 V HA 0.327 4.446 4.120 -0.000 0.000 0.231 95 V C 2.800 178.830 176.094 -0.106 0.000 1.205 95 V CA 0.791 62.885 62.300 -0.343 0.000 1.239 95 V CB -0.861 30.833 31.823 -0.215 0.000 1.050 95 V HN 1.016 nan 8.190 nan 0.000 0.498 96 A N 0.505 123.301 122.820 -0.041 0.000 1.975 96 A HA 0.306 4.626 4.320 -0.000 0.000 0.215 96 A C 1.582 179.159 177.584 -0.011 0.000 1.170 96 A CA 1.019 53.040 52.037 -0.027 0.000 0.656 96 A CB -0.866 18.112 19.000 -0.035 0.000 0.821 96 A HN 0.558 nan 8.150 nan 0.000 0.449 97 G N 0.341 109.142 108.800 0.002 0.000 2.441 97 G HA2 0.416 4.376 3.960 -0.000 0.000 0.243 97 G HA3 0.416 4.376 3.960 -0.000 0.000 0.243 97 G C -0.250 174.668 174.900 0.030 0.000 1.281 97 G CA -0.262 44.847 45.100 0.014 0.000 0.854 97 G HN 0.439 nan 8.290 nan 0.000 0.560 98 E N 0.468 120.685 120.200 0.028 0.000 2.405 98 E HA 0.251 4.601 4.350 -0.000 0.000 0.253 98 E C 1.777 178.408 176.600 0.053 0.000 1.257 98 E CA -0.534 55.890 56.400 0.039 0.000 0.960 98 E CB 0.616 30.332 29.700 0.027 0.000 1.077 98 E HN 0.497 nan 8.360 nan 0.000 0.512 99 R N -0.037 120.500 120.500 0.061 0.000 2.234 99 R HA -0.240 4.099 4.340 -0.000 0.000 0.262 99 R C 1.386 177.720 176.300 0.056 0.000 1.150 99 R CA 1.952 58.094 56.100 0.070 0.000 0.981 99 R CB -0.448 29.895 30.300 0.072 0.000 0.899 99 R HN 0.633 nan 8.270 nan 0.000 0.458 100 G N -1.616 107.207 108.800 0.039 0.000 3.519 100 G HA2 0.418 4.378 3.960 -0.000 0.000 0.269 100 G HA3 0.418 4.378 3.960 -0.000 0.000 0.269 100 G C -0.165 174.751 174.900 0.027 0.000 1.028 100 G CA 0.180 45.297 45.100 0.028 0.000 0.809 100 G HN 0.399 nan 8.290 nan 0.000 0.521 101 A N 0.507 123.345 122.820 0.030 0.000 2.406 101 A HA 0.667 4.987 4.320 -0.000 0.000 0.243 101 A C 1.016 178.613 177.584 0.022 0.000 1.082 101 A CA 0.355 52.406 52.037 0.023 0.000 0.786 101 A CB 0.206 19.219 19.000 0.022 0.000 1.029 101 A HN 1.122 nan 8.150 nan 0.000 0.495 102 A N 0.982 123.810 122.820 0.013 0.000 2.520 102 A HA 0.300 4.620 4.320 -0.000 0.000 0.245 102 A C 0.725 178.297 177.584 -0.019 0.000 1.072 102 A CA 0.083 52.123 52.037 0.005 0.000 0.761 102 A CB -0.103 18.899 19.000 0.004 0.000 1.004 102 A HN 0.806 nan 8.150 nan 0.000 0.499 103 D N 2.370 122.749 120.400 -0.036 0.000 2.123 103 D HA -0.085 4.555 4.640 -0.000 0.000 0.196 103 D C 1.381 177.480 176.300 -0.335 0.000 0.992 103 D CA 2.093 56.002 54.000 -0.151 0.000 0.833 103 D CB -0.089 40.636 40.800 -0.126 0.000 0.954 103 D HN 0.653 nan 8.370 nan 0.000 0.455 104 A N 1.223 123.929 122.820 -0.190 0.000 3.202 104 A HA 0.159 4.479 4.320 -0.000 0.000 0.258 104 A C 0.221 177.775 177.584 -0.050 0.000 1.572 104 A CA -0.155 51.800 52.037 -0.138 0.000 1.241 104 A CB -0.319 18.708 19.000 0.045 0.000 1.127 104 A HN 0.005 nan 8.150 nan 0.000 0.648 105 E N 0.117 120.283 120.200 -0.058 0.000 2.232 105 E HA 0.284 4.634 4.350 -0.000 0.000 0.265 105 E C -0.076 176.542 176.600 0.031 0.000 1.001 105 E CA -0.960 55.441 56.400 0.002 0.000 0.870 105 E CB 1.438 31.142 29.700 0.008 0.000 1.175 105 E HN 0.508 nan 8.360 nan 0.000 0.407 106 R N 2.030 122.569 120.500 0.064 0.000 2.343 106 R HA 0.057 4.397 4.340 -0.000 0.000 0.326 106 R C -1.109 175.261 176.300 0.116 0.000 1.055 106 R CA 0.563 56.721 56.100 0.098 0.000 0.961 106 R CB 0.110 30.483 30.300 0.123 0.000 0.978 106 R HN 0.382 nan 8.270 nan 0.000 0.443 107 D N 3.281 123.756 120.400 0.125 0.000 2.783 107 D HA 0.151 4.791 4.640 -0.000 0.000 0.253 107 D C -0.519 175.873 176.300 0.153 0.000 1.206 107 D CA -0.582 53.504 54.000 0.143 0.000 0.740 107 D CB 1.039 41.896 40.800 0.095 0.000 1.313 107 D HN 0.390 nan 8.370 nan 0.000 0.427 108 I N 1.579 122.258 120.570 0.182 0.000 2.948 108 I HA 0.042 4.212 4.170 -0.000 0.000 0.290 108 I C 0.751 176.981 176.117 0.188 0.000 1.226 108 I CA 0.239 61.651 61.300 0.186 0.000 1.413 108 I CB 0.310 38.453 38.000 0.239 0.000 1.352 108 I HN 0.042 nan 8.210 nan 0.000 0.597 109 R N 3.801 124.449 120.500 0.245 0.000 2.494 109 R HA 0.403 4.743 4.340 -0.000 0.000 0.305 109 R C -0.170 176.335 176.300 0.343 0.000 0.959 109 R CA -0.784 55.492 56.100 0.294 0.000 0.864 109 R CB 1.437 31.956 30.300 0.366 0.000 1.159 109 R HN 0.790 nan 8.270 nan 0.000 0.446 110 G N 1.213 110.235 108.800 0.370 0.000 2.441 110 G HA2 0.262 4.221 3.960 -0.000 0.000 0.243 110 G HA3 0.262 4.221 3.960 -0.000 0.000 0.243 110 G C -0.903 174.080 174.900 0.138 0.000 1.281 110 G CA -0.055 45.222 45.100 0.296 0.000 0.854 110 G HN 0.466 nan 8.290 nan 0.000 0.560 111 F N 2.098 121.962 119.950 -0.144 0.000 2.710 111 F HA 0.448 4.975 4.527 -0.000 0.000 0.345 111 F C 0.162 175.619 175.800 -0.572 0.000 1.362 111 F CA -0.890 56.967 58.000 -0.239 0.000 1.175 111 F CB 1.196 40.149 39.000 -0.077 0.000 1.561 111 F HN 0.414 nan 8.300 nan 0.000 0.593 112 S N 4.740 119.937 115.700 -0.837 0.000 2.442 112 S HA 0.827 5.297 4.470 -0.000 0.000 0.297 112 S C -0.802 173.002 174.600 -1.326 0.000 1.131 112 S CA -0.384 57.145 58.200 -1.118 0.000 1.092 112 S CB 0.528 62.804 63.200 -1.539 0.000 0.998 112 S HN 0.491 nan 8.310 nan 0.000 0.478 113 L N 4.221 124.860 121.223 -0.975 0.000 2.381 113 L HA 0.642 4.982 4.340 -0.000 0.000 0.268 113 L C -0.368 176.141 176.870 -0.601 0.000 0.997 113 L CA -0.823 53.454 54.840 -0.938 0.000 0.818 113 L CB 2.039 43.342 42.059 -1.259 0.000 1.310 113 L HN 0.489 nan 8.230 nan 0.000 0.416 114 K N 2.574 122.587 120.400 -0.644 0.000 2.502 114 K HA 0.550 4.870 4.320 -0.000 0.000 0.254 114 K C -1.735 174.297 176.600 -0.947 0.000 0.947 114 K CA -0.415 55.494 56.287 -0.631 0.000 0.834 114 K CB 1.036 33.184 32.500 -0.588 0.000 1.112 114 K HN 0.338 nan 8.250 nan 0.000 0.427 115 F N 3.735 123.371 119.950 -0.523 0.000 2.404 115 F HA 0.299 4.825 4.527 -0.000 0.000 0.354 115 F C -0.374 175.266 175.800 -0.267 0.000 1.122 115 F CA -0.757 57.029 58.000 -0.355 0.000 1.080 115 F CB 0.852 39.739 39.000 -0.189 0.000 1.131 115 F HN 0.419 nan 8.300 nan 0.000 0.471 116 Y N 1.663 122.051 120.300 0.146 0.000 2.636 116 Y HA 0.211 4.761 4.550 -0.000 0.000 0.334 116 Y C 1.048 177.007 175.900 0.099 0.000 1.286 116 Y CA -0.909 57.245 58.100 0.090 0.000 1.688 116 Y CB -0.518 37.974 38.460 0.052 0.000 1.662 116 Y HN 0.550 nan 8.280 nan 0.000 0.465 117 T N -2.540 112.128 114.554 0.191 0.000 2.847 117 T HA 0.101 4.451 4.350 -0.000 0.000 0.279 117 T C 1.212 175.959 174.700 0.078 0.000 0.984 117 T CA -0.545 61.622 62.100 0.111 0.000 0.988 117 T CB 1.147 70.034 68.868 0.032 0.000 1.040 117 T HN 0.717 nan 8.240 nan 0.000 0.528 118 E N -0.153 120.073 120.200 0.044 0.000 2.418 118 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 118 E C 0.755 177.358 176.600 0.004 0.000 1.026 118 E CA 0.744 57.163 56.400 0.032 0.000 0.862 118 E CB -0.051 29.668 29.700 0.031 0.000 0.799 118 E HN 0.844 nan 8.360 nan 0.000 0.518 119 E N 0.636 120.822 120.200 -0.024 0.000 2.869 119 E HA 0.326 4.676 4.350 -0.000 0.000 0.207 119 E C -0.223 176.328 176.600 -0.081 0.000 0.986 119 E CA -0.045 56.303 56.400 -0.087 0.000 1.131 119 E CB 1.300 30.919 29.700 -0.135 0.000 1.098 119 E HN 0.360 nan 8.360 nan 0.000 0.459 120 G N 1.282 110.075 108.800 -0.013 0.000 2.484 120 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.685 120 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.685 120 G C -1.113 173.826 174.900 0.065 0.000 1.294 120 G CA -1.168 43.942 45.100 0.018 0.000 0.879 120 G HN 0.211 nan 8.290 nan 0.000 0.646 121 N N 0.086 118.828 118.700 0.070 0.000 2.431 121 N HA 0.261 5.001 4.740 -0.000 0.000 0.265 121 N C -0.441 175.142 175.510 0.121 0.000 1.184 121 N CA -0.112 52.968 53.050 0.050 0.000 0.943 121 N CB 0.744 39.212 38.487 -0.031 0.000 1.080 121 N HN 0.548 nan 8.380 nan 0.000 0.477 122 W N 4.627 125.891 121.300 -0.060 0.000 2.342 122 W HA 0.218 4.878 4.660 -0.000 0.000 0.310 122 W C -0.911 175.597 176.519 -0.018 0.000 1.128 122 W CA -1.045 56.274 57.345 -0.044 0.000 1.322 122 W CB 0.048 29.456 29.460 -0.088 0.000 1.251 122 W HN 0.404 nan 8.180 nan 0.000 0.439 123 D N 5.874 126.265 120.400 -0.016 0.000 2.280 123 D HA 0.171 4.811 4.640 -0.000 0.000 0.243 123 D C -0.916 175.177 176.300 -0.345 0.000 1.129 123 D CA -0.206 53.689 54.000 -0.175 0.000 0.848 123 D CB 1.622 42.398 40.800 -0.041 0.000 1.107 123 D HN 0.328 nan 8.370 nan 0.000 0.471 124 L N 2.677 123.572 121.223 -0.548 0.000 2.384 124 L HA 0.456 4.796 4.340 -0.000 0.000 0.261 124 L C -0.485 176.143 176.870 -0.403 0.000 1.024 124 L CA -0.744 53.774 54.840 -0.536 0.000 0.899 124 L CB 1.052 42.625 42.059 -0.810 0.000 1.243 124 L HN 0.340 nan 8.230 nan 0.000 0.449 125 A N 3.927 126.575 122.820 -0.287 0.000 2.807 125 A HA 0.682 5.002 4.320 -0.000 0.000 0.307 125 A C 0.619 178.090 177.584 -0.188 0.000 1.532 125 A CA 0.203 52.040 52.037 -0.335 0.000 1.215 125 A CB -0.684 18.112 19.000 -0.340 0.000 1.127 125 A HN 0.738 nan 8.150 nan 0.000 0.543 126 G N 1.111 109.815 108.800 -0.159 0.000 2.557 126 G HA2 0.528 4.488 3.960 -0.000 0.000 0.302 126 G HA3 0.528 4.488 3.960 -0.000 0.000 0.302 126 G C -0.373 174.562 174.900 0.058 0.000 1.311 126 G CA -0.573 44.526 45.100 -0.002 0.000 1.030 126 G HN 0.571 nan 8.290 nan 0.000 0.509 127 N N -0.891 117.897 118.700 0.146 0.000 2.577 127 N HA 0.197 4.937 4.740 -0.000 0.000 0.285 127 N C 0.369 176.067 175.510 0.314 0.000 1.309 127 N CA -0.760 52.431 53.050 0.235 0.000 0.798 127 N CB 1.452 40.060 38.487 0.202 0.000 1.463 127 N HN 0.532 nan 8.380 nan 0.000 0.518 128 N N -0.908 118.005 118.700 0.355 0.000 2.413 128 N HA -0.027 4.713 4.740 -0.000 0.000 0.207 128 N C -0.497 175.266 175.510 0.421 0.000 1.206 128 N CA 0.121 53.419 53.050 0.413 0.000 0.832 128 N CB -0.068 38.648 38.487 0.383 0.000 1.037 128 N HN 0.409 nan 8.380 nan 0.000 0.467 129 T N -0.392 114.305 114.554 0.238 0.000 2.933 129 T HA 0.364 4.714 4.350 -0.000 0.000 0.305 129 T C -2.563 171.782 174.700 -0.591 0.000 1.092 129 T CA -1.551 60.408 62.100 -0.234 0.000 1.008 129 T CB 2.271 71.037 68.868 -0.170 0.000 1.102 129 T HN -0.169 nan 8.240 nan 0.000 0.469 130 P HA 0.151 nan 4.420 nan 0.000 0.236 130 P C 0.506 177.516 177.300 -0.483 0.000 1.177 130 P CA 0.352 62.916 63.100 -0.892 0.000 0.773 130 P CB -0.013 31.128 31.700 -0.931 0.000 0.878 131 V N -4.624 115.016 119.914 -0.457 0.000 3.164 131 V HA 0.776 4.896 4.120 -0.000 0.000 0.313 131 V C -0.873 175.094 176.094 -0.212 0.000 1.188 131 V CA -1.171 60.907 62.300 -0.369 0.000 1.058 131 V CB 2.084 33.558 31.823 -0.582 0.000 1.110 131 V HN -0.107 nan 8.190 nan 0.000 0.453 132 F N -1.088 118.643 119.950 -0.365 0.000 2.692 132 F HA 0.668 5.195 4.527 -0.000 0.000 0.320 132 F C 0.388 176.008 175.800 -0.300 0.000 1.123 132 F CA -1.416 56.374 58.000 -0.349 0.000 0.961 132 F CB 1.758 40.680 39.000 -0.129 0.000 1.383 132 F HN 0.464 nan 8.300 nan 0.000 0.483 133 F N 1.293 120.809 119.950 -0.723 0.000 2.325 133 F HA 0.105 4.632 4.527 -0.000 0.000 0.299 133 F C 0.328 176.041 175.800 -0.145 0.000 1.090 133 F CA 0.731 58.457 58.000 -0.457 0.000 1.392 133 F CB -0.193 38.500 39.000 -0.513 0.000 1.053 133 F HN -0.081 nan 8.300 nan 0.000 0.521 134 L N -0.774 120.598 121.223 0.248 0.000 2.354 134 L HA 0.478 4.818 4.340 -0.000 0.000 0.269 134 L C 0.837 177.816 176.870 0.181 0.000 1.005 134 L CA -0.837 54.157 54.840 0.255 0.000 0.819 134 L CB 2.094 44.402 42.059 0.414 0.000 1.311 134 L HN -0.210 nan 8.230 nan 0.000 0.423 135 R N -0.466 120.038 120.500 0.005 0.000 2.237 135 R HA 0.118 4.458 4.340 -0.000 0.000 0.195 135 R C -0.206 176.074 176.300 -0.033 0.000 0.956 135 R CA 0.336 56.383 56.100 -0.088 0.000 1.029 135 R CB 0.399 30.456 30.300 -0.406 0.000 0.972 135 R HN 0.588 nan 8.270 nan 0.000 0.493 136 D N 0.136 120.549 120.400 0.021 0.000 2.649 136 D HA 0.143 4.783 4.640 -0.000 0.000 0.249 136 D C -1.986 174.427 176.300 0.188 0.000 1.112 136 D CA -2.168 51.898 54.000 0.110 0.000 0.850 136 D CB 2.484 43.377 40.800 0.155 0.000 1.399 136 D HN -0.173 nan 8.370 nan 0.000 0.503 137 P HA -0.048 nan 4.420 nan 0.000 0.225 137 P C 1.804 179.236 177.300 0.220 0.000 1.148 137 P CA 0.323 63.542 63.100 0.198 0.000 0.779 137 P CB 0.610 32.379 31.700 0.116 0.000 0.780 138 L N -0.559 120.778 121.223 0.189 0.000 2.187 138 L HA -0.124 4.216 4.340 -0.000 0.000 0.213 138 L C 2.307 179.292 176.870 0.192 0.000 1.100 138 L CA 1.271 56.215 54.840 0.173 0.000 0.765 138 L CB -0.554 41.599 42.059 0.156 0.000 0.904 138 L HN -0.093 nan 8.230 nan 0.000 0.437 139 K N -0.950 119.598 120.400 0.246 0.000 2.459 139 K HA -0.041 4.278 4.320 -0.000 0.000 0.193 139 K C 1.772 178.534 176.600 0.269 0.000 1.030 139 K CA 0.527 56.986 56.287 0.287 0.000 1.026 139 K CB -0.174 32.533 32.500 0.346 0.000 0.809 139 K HN 0.166 nan 8.250 nan 0.000 0.504 140 F N 2.751 122.796 119.950 0.158 0.000 2.102 140 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 140 F C -0.931 174.850 175.800 -0.031 0.000 1.105 140 F CA 1.253 59.333 58.000 0.133 0.000 1.239 140 F CB -0.783 38.299 39.000 0.136 0.000 0.991 140 F HN 0.041 nan 8.300 nan 0.000 0.474 141 P HA -0.133 nan 4.420 nan 0.000 0.218 141 P C 1.082 177.979 177.300 -0.671 0.000 1.149 141 P CA 1.736 64.627 63.100 -0.347 0.000 0.817 141 P CB -0.096 31.464 31.700 -0.233 0.000 0.785 142 D N -0.584 119.563 120.400 -0.423 0.000 2.117 142 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 142 D C 1.928 177.630 176.300 -0.998 0.000 0.987 142 D CA 0.952 54.627 54.000 -0.541 0.000 0.829 142 D CB -0.559 40.102 40.800 -0.232 0.000 0.961 142 D HN 0.085 nan 8.370 nan 0.000 0.460 143 L N 1.969 122.691 121.223 -0.836 0.000 1.989 143 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 143 L C 1.874 178.354 176.870 -0.650 0.000 1.071 143 L CA 1.654 56.027 54.840 -0.778 0.000 0.749 143 L CB -0.896 40.967 42.059 -0.327 0.000 0.890 143 L HN -0.047 nan 8.230 nan 0.000 0.431 144 N N -0.450 117.888 118.700 -0.604 0.000 2.037 144 N HA -0.296 4.443 4.740 -0.000 0.000 0.196 144 N C 1.924 177.294 175.510 -0.232 0.000 1.034 144 N CA 2.421 55.242 53.050 -0.382 0.000 0.861 144 N CB -0.344 37.961 38.487 -0.304 0.000 1.039 144 N HN 0.696 nan 8.380 nan 0.000 0.427 145 H N -0.729 118.127 119.070 -0.357 0.000 2.495 145 H HA 0.075 4.631 4.556 -0.000 0.000 0.287 145 H C 1.805 176.919 175.328 -0.357 0.000 1.033 145 H CA 0.650 56.519 56.048 -0.300 0.000 1.307 145 H CB 0.235 29.845 29.762 -0.253 0.000 1.401 145 H HN 0.399 nan 8.280 nan 0.000 0.555 146 A N 0.765 123.336 122.820 -0.415 0.000 1.984 146 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 146 A C 2.315 179.622 177.584 -0.461 0.000 1.173 146 A CA 0.978 52.721 52.037 -0.490 0.000 0.673 146 A CB -0.277 18.245 19.000 -0.796 0.000 0.830 146 A HN 0.301 nan 8.150 nan 0.000 0.453 147 V N -3.035 116.607 119.914 -0.453 0.000 3.590 147 V HA 0.239 4.359 4.120 -0.000 0.000 0.265 147 V C 0.795 176.746 176.094 -0.239 0.000 1.239 147 V CA 0.528 62.588 62.300 -0.400 0.000 1.117 147 V CB -0.493 31.097 31.823 -0.389 0.000 0.818 147 V HN 0.337 nan 8.190 nan 0.000 0.451 148 K N 0.480 120.767 120.400 -0.188 0.000 2.443 148 K HA 0.536 4.856 4.320 -0.000 0.000 0.284 148 K C -0.222 176.312 176.600 -0.110 0.000 0.992 148 K CA -1.078 55.139 56.287 -0.117 0.000 1.292 148 K CB 0.512 32.966 32.500 -0.077 0.000 1.705 148 K HN 0.152 nan 8.250 nan 0.000 0.778 149 R N 1.687 122.136 120.500 -0.085 0.000 2.340 149 R HA 0.068 4.408 4.340 -0.000 0.000 0.300 149 R C -0.676 175.566 176.300 -0.097 0.000 1.069 149 R CA -0.258 55.794 56.100 -0.080 0.000 0.984 149 R CB 0.535 30.799 30.300 -0.059 0.000 1.003 149 R HN 0.512 nan 8.270 nan 0.000 0.459 150 D N 3.091 123.437 120.400 -0.090 0.000 2.472 150 D HA -0.010 4.629 4.640 -0.000 0.000 0.237 150 D C -1.405 174.842 176.300 -0.090 0.000 1.141 150 D CA -1.222 52.723 54.000 -0.092 0.000 0.875 150 D CB 0.980 41.737 40.800 -0.071 0.000 1.192 150 D HN 0.210 nan 8.370 nan 0.000 0.450 151 P HA -0.108 nan 4.420 nan 0.000 0.219 151 P C 0.967 178.225 177.300 -0.069 0.000 1.146 151 P CA 0.967 64.008 63.100 -0.098 0.000 0.808 151 P CB 0.197 31.832 31.700 -0.109 0.000 0.779 152 R N -0.669 119.797 120.500 -0.058 0.000 2.087 152 R HA -0.011 4.329 4.340 -0.000 0.000 0.213 152 R C 2.143 178.421 176.300 -0.038 0.000 1.137 152 R CA 1.699 57.773 56.100 -0.043 0.000 1.022 152 R CB -0.612 29.666 30.300 -0.037 0.000 0.920 152 R HN 0.164 nan 8.270 nan 0.000 0.451 153 T N -1.671 112.860 114.554 -0.039 0.000 3.023 153 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 153 T C 0.813 175.494 174.700 -0.032 0.000 1.093 153 T CA 0.986 63.066 62.100 -0.032 0.000 1.129 153 T CB -0.259 68.591 68.868 -0.031 0.000 0.899 153 T HN 0.434 nan 8.240 nan 0.000 0.491 154 N N 0.281 118.957 118.700 -0.040 0.000 2.714 154 N HA -0.154 4.586 4.740 -0.000 0.000 0.250 154 N C -0.689 174.800 175.510 -0.035 0.000 1.117 154 N CA 0.928 53.954 53.050 -0.039 0.000 0.719 154 N CB -1.684 36.785 38.487 -0.030 0.000 1.081 154 N HN 0.722 nan 8.380 nan 0.000 0.557 155 M N -0.188 119.389 119.600 -0.039 0.000 2.619 155 M HA 0.396 4.875 4.480 -0.000 0.000 0.297 155 M C 0.208 176.479 176.300 -0.048 0.000 1.229 155 M CA -0.798 54.481 55.300 -0.035 0.000 0.860 155 M CB 2.058 34.643 32.600 -0.025 0.000 1.741 155 M HN -0.091 nan 8.290 nan 0.000 0.462 156 R N 0.819 121.290 120.500 -0.049 0.000 2.698 156 R HA 0.201 4.541 4.340 -0.000 0.000 0.266 156 R C -0.178 176.086 176.300 -0.061 0.000 1.026 156 R CA 0.167 56.226 56.100 -0.069 0.000 1.102 156 R CB 0.437 30.697 30.300 -0.066 0.000 0.978 156 R HN 0.609 nan 8.270 nan 0.000 0.436 157 S N 0.761 116.411 115.700 -0.084 0.000 2.707 157 S HA 0.366 4.835 4.470 -0.000 0.000 0.312 157 S C 0.743 175.312 174.600 -0.051 0.000 1.116 157 S CA -0.264 57.901 58.200 -0.058 0.000 1.078 157 S CB 1.664 64.824 63.200 -0.066 0.000 0.997 157 S HN 0.672 nan 8.310 nan 0.000 0.477 158 A N 5.734 128.565 122.820 0.019 0.000 1.908 158 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 158 A C 2.218 179.896 177.584 0.157 0.000 1.181 158 A CA 1.587 53.704 52.037 0.132 0.000 0.627 158 A CB -0.625 18.464 19.000 0.148 0.000 0.818 158 A HN 0.766 nan 8.150 nan 0.000 0.445 159 K N 0.347 120.792 120.400 0.076 0.000 2.009 159 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 159 K C 1.775 178.396 176.600 0.035 0.000 1.049 159 K CA 2.118 58.445 56.287 0.067 0.000 0.929 159 K CB -0.742 31.777 32.500 0.031 0.000 0.714 159 K HN 0.696 nan 8.250 nan 0.000 0.440 160 N N 0.751 119.432 118.700 -0.032 0.000 2.043 160 N HA -0.195 4.545 4.740 -0.000 0.000 0.193 160 N C 1.822 177.230 175.510 -0.170 0.000 1.037 160 N CA 1.140 54.138 53.050 -0.087 0.000 0.851 160 N CB -0.246 38.164 38.487 -0.128 0.000 1.027 160 N HN 0.265 nan 8.380 nan 0.000 0.422 161 N N 0.427 118.951 118.700 -0.293 0.000 2.043 161 N HA -0.162 4.578 4.740 -0.000 0.000 0.193 161 N C 1.301 176.400 175.510 -0.686 0.000 1.037 161 N CA 1.438 54.084 53.050 -0.673 0.000 0.851 161 N CB -0.273 37.727 38.487 -0.812 0.000 1.027 161 N HN 0.336 nan 8.380 nan 0.000 0.422 162 W N 0.842 121.986 121.300 -0.260 0.000 2.576 162 W HA 0.039 4.699 4.660 -0.000 0.000 0.270 162 W C 2.145 178.675 176.519 0.017 0.000 1.255 162 W CA 0.232 57.534 57.345 -0.071 0.000 1.314 162 W CB -0.335 29.116 29.460 -0.016 0.000 1.101 162 W HN 0.132 nan 8.180 nan 0.000 0.595 163 D N 0.037 120.547 120.400 0.182 0.000 2.104 163 D HA -0.272 4.368 4.640 -0.000 0.000 0.194 163 D C 1.867 178.260 176.300 0.155 0.000 0.994 163 D CA 1.430 55.519 54.000 0.149 0.000 0.830 163 D CB -0.500 40.359 40.800 0.098 0.000 0.959 163 D HN 0.093 nan 8.370 nan 0.000 0.452 164 F N -0.170 119.745 119.950 -0.059 0.000 2.084 164 F HA -0.093 4.433 4.527 -0.000 0.000 0.296 164 F C 1.937 177.765 175.800 0.047 0.000 1.111 164 F CA 1.358 59.316 58.000 -0.070 0.000 1.224 164 F CB -0.527 38.341 39.000 -0.219 0.000 0.991 164 F HN 0.021 nan 8.300 nan 0.000 0.471 165 W N 1.173 122.363 121.300 -0.184 0.000 2.338 165 W HA -0.186 4.474 4.660 -0.000 0.000 0.304 165 W C 2.906 179.367 176.519 -0.097 0.000 1.212 165 W CA 2.594 59.764 57.345 -0.292 0.000 1.264 165 W CB -1.838 27.394 29.460 -0.381 0.000 1.142 165 W HN 0.209 nan 8.180 nan 0.000 0.512 166 T N -3.743 111.003 114.554 0.320 0.000 3.072 166 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 166 T C 1.665 176.511 174.700 0.244 0.000 1.127 166 T CA 1.340 63.660 62.100 0.366 0.000 1.107 166 T CB -0.364 68.712 68.868 0.347 0.000 0.910 166 T HN -0.102 nan 8.240 nan 0.000 0.513 167 S N 0.822 116.571 115.700 0.082 0.000 2.527 167 S HA 0.347 4.817 4.470 -0.000 0.000 0.222 167 S C 0.504 175.056 174.600 -0.081 0.000 0.985 167 S CA 0.039 58.246 58.200 0.012 0.000 0.921 167 S CB -0.212 62.980 63.200 -0.012 0.000 0.772 167 S HN 0.504 nan 8.310 nan 0.000 0.529 168 L N 2.600 123.729 121.223 -0.157 0.000 2.387 168 L HA 0.306 4.646 4.340 -0.000 0.000 0.259 168 L C -1.867 174.836 176.870 -0.277 0.000 1.050 168 L CA -1.880 52.825 54.840 -0.224 0.000 0.922 168 L CB 1.377 43.259 42.059 -0.295 0.000 1.280 168 L HN -0.085 nan 8.230 nan 0.000 0.449 169 P HA -0.236 nan 4.420 nan 0.000 0.217 169 P C 1.160 178.099 177.300 -0.601 0.000 1.148 169 P CA 1.279 63.884 63.100 -0.826 0.000 0.828 169 P CB 0.190 31.140 31.700 -1.250 0.000 0.783 170 E N 0.723 120.650 120.200 -0.455 0.000 2.267 170 E HA -0.156 4.194 4.350 -0.000 0.000 0.197 170 E C 1.750 178.323 176.600 -0.045 0.000 0.998 170 E CA 1.452 57.820 56.400 -0.053 0.000 0.830 170 E CB -1.096 28.673 29.700 0.115 0.000 0.751 170 E HN 0.198 nan 8.360 nan 0.000 0.491 171 A N 1.240 124.006 122.820 -0.089 0.000 2.168 171 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 171 A C 2.137 179.689 177.584 -0.053 0.000 1.152 171 A CA 0.710 52.713 52.037 -0.057 0.000 0.716 171 A CB -0.547 18.393 19.000 -0.101 0.000 0.794 171 A HN 0.275 nan 8.150 nan 0.000 0.465 172 L N -0.551 120.676 121.223 0.005 0.000 2.042 172 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 172 L C 2.200 179.167 176.870 0.160 0.000 1.076 172 L CA 2.691 57.605 54.840 0.124 0.000 0.749 172 L CB -0.873 41.301 42.059 0.193 0.000 0.893 172 L HN 0.653 nan 8.230 nan 0.000 0.432 173 H N -1.629 117.443 119.070 0.005 0.000 2.289 173 H HA -0.267 4.289 4.556 -0.000 0.000 0.296 173 H C 2.189 177.451 175.328 -0.109 0.000 1.091 173 H CA 1.647 57.681 56.048 -0.022 0.000 1.274 173 H CB 0.257 29.987 29.762 -0.053 0.000 1.364 173 H HN 0.385 nan 8.280 nan 0.000 0.490 174 Q N 0.395 120.092 119.800 -0.172 0.000 2.172 174 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 174 Q C 2.368 178.156 176.000 -0.353 0.000 0.964 174 Q CA 1.231 56.750 55.803 -0.473 0.000 0.855 174 Q CB -0.230 27.873 28.738 -1.059 0.000 0.918 174 Q HN 0.375 nan 8.270 nan 0.000 0.444 175 V N 0.167 119.932 119.914 -0.247 0.000 2.332 175 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 175 V C 2.105 178.205 176.094 0.011 0.000 1.055 175 V CA 2.212 64.337 62.300 -0.292 0.000 1.038 175 V CB -1.011 30.560 31.823 -0.419 0.000 0.651 175 V HN 0.425 nan 8.190 nan 0.000 0.450 176 T N 0.223 114.862 114.554 0.143 0.000 2.746 176 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 176 T C 1.804 176.577 174.700 0.122 0.000 1.039 176 T CA 1.851 64.093 62.100 0.237 0.000 1.142 176 T CB -0.274 68.764 68.868 0.284 0.000 0.866 176 T HN 0.360 nan 8.240 nan 0.000 0.444 177 I N 0.368 120.968 120.570 0.049 0.000 2.202 177 I HA -0.113 4.057 4.170 -0.000 0.000 0.242 177 I C 2.522 178.653 176.117 0.023 0.000 1.091 177 I CA 0.827 62.133 61.300 0.009 0.000 1.368 177 I CB -0.380 37.575 38.000 -0.074 0.000 1.058 177 I HN 0.067 nan 8.210 nan 0.000 0.410 178 V N 0.820 120.737 119.914 0.004 0.000 2.626 178 V HA -0.213 3.907 4.120 -0.000 0.000 0.252 178 V C 2.195 178.362 176.094 0.122 0.000 1.067 178 V CA 1.490 63.830 62.300 0.067 0.000 1.081 178 V CB -0.142 31.744 31.823 0.105 0.000 0.686 178 V HN 0.338 nan 8.190 nan 0.000 0.468 179 M N 0.052 119.737 119.600 0.142 0.000 2.556 179 M HA 0.134 4.614 4.480 -0.000 0.000 0.245 179 M C 1.320 177.705 176.300 0.141 0.000 1.128 179 M CA 0.621 56.040 55.300 0.198 0.000 1.069 179 M CB -0.905 31.877 32.600 0.303 0.000 1.469 179 M HN 0.613 nan 8.290 nan 0.000 0.494 180 S N 1.169 116.926 115.700 0.095 0.000 2.640 180 S HA 0.059 4.529 4.470 -0.000 0.000 0.262 180 S C 1.085 175.714 174.600 0.047 0.000 1.232 180 S CA -0.002 58.227 58.200 0.049 0.000 0.988 180 S CB 0.701 63.917 63.200 0.026 0.000 1.034 180 S HN 0.406 nan 8.310 nan 0.000 0.569 181 D N 0.106 120.520 120.400 0.022 0.000 2.264 181 D HA -0.154 4.485 4.640 -0.000 0.000 0.208 181 D C 1.487 177.813 176.300 0.042 0.000 0.966 181 D CA 0.904 54.919 54.000 0.026 0.000 0.864 181 D CB -0.433 40.370 40.800 0.004 0.000 0.933 181 D HN 0.610 nan 8.370 nan 0.000 0.499 182 R N 0.209 120.738 120.500 0.049 0.000 2.323 182 R HA 0.143 4.483 4.340 -0.000 0.000 0.198 182 R C 2.183 178.535 176.300 0.087 0.000 0.988 182 R CA 0.566 56.707 56.100 0.068 0.000 1.041 182 R CB -0.247 30.097 30.300 0.073 0.000 0.926 182 R HN 0.300 nan 8.270 nan 0.000 0.476 183 G N 1.327 110.177 108.800 0.084 0.000 2.448 183 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.219 183 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.219 183 G C 0.793 175.755 174.900 0.104 0.000 1.127 183 G CA 0.432 45.592 45.100 0.101 0.000 0.766 183 G HN 0.193 nan 8.290 nan 0.000 0.552 184 I N 1.314 121.940 120.570 0.094 0.000 2.563 184 I HA 0.251 4.421 4.170 -0.000 0.000 0.276 184 I C -2.649 173.535 176.117 0.112 0.000 1.074 184 I CA -2.121 59.236 61.300 0.095 0.000 1.124 184 I CB 2.548 40.594 38.000 0.078 0.000 1.225 184 I HN -0.190 nan 8.210 nan 0.000 0.482 185 P HA 0.035 nan 4.420 nan 0.000 0.265 185 P C 0.706 178.114 177.300 0.180 0.000 1.193 185 P CA 0.133 63.334 63.100 0.169 0.000 0.765 185 P CB 1.150 32.989 31.700 0.231 0.000 0.823 186 A N 2.848 125.701 122.820 0.056 0.000 1.969 186 A HA 0.040 4.359 4.320 -0.000 0.000 0.218 186 A C 1.022 178.449 177.584 -0.261 0.000 1.169 186 A CA 2.098 54.102 52.037 -0.055 0.000 0.635 186 A CB -0.829 18.087 19.000 -0.140 0.000 0.810 186 A HN 0.638 nan 8.150 nan 0.000 0.445 187 T N -6.831 107.612 114.554 -0.186 0.000 2.762 187 T HA 0.484 4.834 4.350 -0.000 0.000 0.301 187 T C 0.275 174.932 174.700 -0.070 0.000 1.299 187 T CA -0.427 61.420 62.100 -0.422 0.000 1.005 187 T CB 0.282 69.079 68.868 -0.119 0.000 1.377 187 T HN 0.036 nan 8.240 nan 0.000 0.504 188 Y N 0.558 120.850 120.300 -0.012 0.000 2.421 188 Y HA 0.151 4.701 4.550 -0.000 0.000 0.292 188 Y C 2.712 178.517 175.900 -0.158 0.000 1.136 188 Y CA 0.610 58.605 58.100 -0.175 0.000 1.255 188 Y CB -0.552 37.613 38.460 -0.492 0.000 0.991 188 Y HN 0.522 nan 8.280 nan 0.000 0.552 189 R N -0.884 119.641 120.500 0.041 0.000 2.236 189 R HA -0.013 4.327 4.340 -0.000 0.000 0.208 189 R C 0.198 176.269 176.300 -0.381 0.000 1.036 189 R CA 0.736 56.744 56.100 -0.153 0.000 1.001 189 R CB -0.117 29.986 30.300 -0.329 0.000 0.896 189 R HN 0.428 nan 8.270 nan 0.000 0.464 190 H N 0.502 119.579 119.070 0.012 0.000 2.507 190 H HA 0.237 4.793 4.556 -0.000 0.000 0.281 190 H C 0.085 175.426 175.328 0.020 0.000 1.160 190 H CA -0.055 55.977 56.048 -0.026 0.000 0.981 190 H CB 0.088 29.817 29.762 -0.055 0.000 1.665 190 H HN 0.168 nan 8.280 nan 0.000 0.554 191 M N -1.293 118.427 119.600 0.200 0.000 2.593 191 M HA 0.447 4.927 4.480 -0.000 0.000 0.290 191 M C -1.320 175.194 176.300 0.358 0.000 1.244 191 M CA -1.020 54.404 55.300 0.207 0.000 0.857 191 M CB 2.835 35.620 32.600 0.309 0.000 1.738 191 M HN -0.135 nan 8.290 nan 0.000 0.461 192 H N 0.246 119.528 119.070 0.353 0.000 2.508 192 H HA 0.760 5.316 4.556 -0.000 0.000 0.358 192 H C -0.124 175.093 175.328 -0.184 0.000 1.212 192 H CA -0.146 56.000 56.048 0.164 0.000 1.356 192 H CB 1.564 31.337 29.762 0.018 0.000 1.525 192 H HN 0.937 nan 8.280 nan 0.000 0.578 193 G N 0.014 108.349 108.800 -0.775 0.000 2.519 193 G HA2 0.562 4.522 3.960 -0.000 0.000 0.307 193 G HA3 0.562 4.522 3.960 -0.000 0.000 0.307 193 G C -1.608 172.730 174.900 -0.937 0.000 1.266 193 G CA -0.476 43.777 45.100 -1.411 0.000 0.970 193 G HN 0.315 nan 8.290 nan 0.000 0.481 194 F N -0.568 119.268 119.950 -0.191 0.000 2.591 194 F HA 0.488 5.015 4.527 -0.000 0.000 0.309 194 F C 1.191 177.006 175.800 0.025 0.000 1.098 194 F CA -0.422 57.532 58.000 -0.077 0.000 0.937 194 F CB 2.374 41.281 39.000 -0.155 0.000 1.250 194 F HN 0.613 nan 8.300 nan 0.000 0.447 195 G N 0.248 109.235 108.800 0.311 0.000 2.471 195 G HA2 0.047 4.007 3.960 -0.000 0.000 0.219 195 G HA3 0.047 4.007 3.960 -0.000 0.000 0.219 195 G C 0.994 176.080 174.900 0.309 0.000 1.125 195 G CA 1.040 46.397 45.100 0.428 0.000 0.775 195 G HN 0.738 nan 8.290 nan 0.000 0.548 196 S N -0.987 114.775 115.700 0.104 0.000 1.637 196 S HA -0.249 4.221 4.470 -0.000 0.000 0.232 196 S C 0.885 175.345 174.600 -0.233 0.000 0.808 196 S CA 1.437 59.547 58.200 -0.149 0.000 1.437 196 S CB -1.252 61.793 63.200 -0.259 0.000 1.838 196 S HN 0.700 nan 8.310 nan 0.000 0.525 197 H N 2.387 121.413 119.070 -0.073 0.000 2.771 197 H HA 0.252 4.808 4.556 -0.000 0.000 0.364 197 H C 0.558 175.704 175.328 -0.304 0.000 1.133 197 H CA 0.903 56.780 56.048 -0.286 0.000 1.423 197 H CB 0.030 29.401 29.762 -0.653 0.000 1.425 197 H HN 0.375 nan 8.280 nan 0.000 0.606 198 T N 3.768 118.232 114.554 -0.149 0.000 2.888 198 T HA 0.142 4.492 4.350 -0.000 0.000 0.301 198 T C 0.321 174.962 174.700 -0.098 0.000 1.001 198 T CA 0.362 62.408 62.100 -0.090 0.000 1.147 198 T CB -0.101 68.853 68.868 0.145 0.000 0.931 198 T HN 0.249 nan 8.240 nan 0.000 0.541 199 F N 0.540 120.590 119.950 0.166 0.000 2.780 199 F HA 0.684 5.211 4.527 -0.000 0.000 0.394 199 F C 0.821 176.822 175.800 0.335 0.000 1.244 199 F CA -0.867 57.298 58.000 0.274 0.000 1.133 199 F CB 1.048 40.242 39.000 0.323 0.000 1.528 199 F HN 0.549 nan 8.300 nan 0.000 0.496 200 S N -0.370 115.612 115.700 0.470 0.000 2.564 200 S HA 0.710 5.180 4.470 -0.000 0.000 0.274 200 S C -1.679 173.047 174.600 0.211 0.000 1.124 200 S CA -0.682 57.684 58.200 0.276 0.000 0.869 200 S CB 1.740 65.052 63.200 0.186 0.000 1.105 200 S HN 0.231 nan 8.310 nan 0.000 0.472 201 F N 1.375 121.399 119.950 0.123 0.000 2.480 201 F HA 0.650 5.177 4.527 -0.000 0.000 0.329 201 F C -0.187 175.674 175.800 0.101 0.000 1.091 201 F CA -1.974 56.092 58.000 0.110 0.000 0.972 201 F CB 1.696 40.769 39.000 0.122 0.000 1.150 201 F HN 0.483 nan 8.300 nan 0.000 0.467 202 I N 3.990 124.715 120.570 0.258 0.000 2.447 202 I HA 0.203 4.373 4.170 -0.000 0.000 0.287 202 I C -0.296 175.881 176.117 0.099 0.000 1.023 202 I CA -0.865 60.517 61.300 0.137 0.000 1.083 202 I CB 1.277 39.312 38.000 0.059 0.000 1.245 202 I HN 0.522 nan 8.210 nan 0.000 0.434 203 N N 3.372 122.146 118.700 0.123 0.000 2.448 203 N HA 0.199 4.939 4.740 -0.000 0.000 0.274 203 N C 0.704 176.228 175.510 0.024 0.000 1.239 203 N CA -0.540 52.550 53.050 0.067 0.000 0.982 203 N CB 0.399 38.951 38.487 0.109 0.000 1.199 203 N HN 0.335 nan 8.380 nan 0.000 0.576 204 S N -1.082 114.617 115.700 -0.001 0.000 2.407 204 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 204 S C 0.160 174.750 174.600 -0.018 0.000 1.036 204 S CA 1.369 59.558 58.200 -0.019 0.000 1.013 204 S CB -0.407 62.777 63.200 -0.027 0.000 0.820 204 S HN 0.600 nan 8.310 nan 0.000 0.476 205 D N 0.678 121.077 120.400 -0.003 0.000 2.358 205 D HA 0.185 4.825 4.640 -0.000 0.000 0.224 205 D C 0.205 176.498 176.300 -0.012 0.000 1.123 205 D CA -0.042 53.953 54.000 -0.008 0.000 0.833 205 D CB -0.283 40.516 40.800 -0.001 0.000 0.946 205 D HN 0.114 nan 8.370 nan 0.000 0.505 206 N N 1.271 119.966 118.700 -0.009 0.000 2.693 206 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 206 N C -0.704 174.786 175.510 -0.032 0.000 1.119 206 N CA 0.674 53.715 53.050 -0.016 0.000 0.717 206 N CB -0.768 37.705 38.487 -0.023 0.000 1.071 206 N HN 0.449 nan 8.380 nan 0.000 0.555 207 E N 0.162 120.348 120.200 -0.023 0.000 2.313 207 E HA 0.240 4.590 4.350 -0.000 0.000 0.272 207 E C 0.443 176.970 176.600 -0.121 0.000 1.038 207 E CA -0.557 55.786 56.400 -0.096 0.000 0.863 207 E CB 1.406 31.054 29.700 -0.088 0.000 1.060 207 E HN 0.168 nan 8.360 nan 0.000 0.402 208 R N 2.743 123.064 120.500 -0.298 0.000 2.445 208 R HA 0.317 4.656 4.340 -0.000 0.000 0.308 208 R C -1.499 174.447 176.300 -0.590 0.000 0.961 208 R CA -0.413 55.487 56.100 -0.334 0.000 0.862 208 R CB 0.630 30.687 30.300 -0.404 0.000 1.144 208 R HN 0.488 nan 8.270 nan 0.000 0.447 209 Y N 2.300 122.476 120.300 -0.205 0.000 2.485 209 Y HA 0.368 4.918 4.550 -0.000 0.000 0.345 209 Y C -0.647 175.114 175.900 -0.231 0.000 0.998 209 Y CA -0.676 57.309 58.100 -0.191 0.000 1.059 209 Y CB 1.295 39.776 38.460 0.035 0.000 1.234 209 Y HN 0.525 nan 8.280 nan 0.000 0.461 210 W N 2.135 123.579 121.300 0.240 0.000 2.316 210 W HA 0.604 5.263 4.660 -0.000 0.000 0.321 210 W C -0.554 176.111 176.519 0.243 0.000 1.203 210 W CA -0.698 56.809 57.345 0.269 0.000 1.214 210 W CB 1.119 30.776 29.460 0.327 0.000 1.169 210 W HN 0.245 nan 8.180 nan 0.000 0.561 211 V N 4.109 124.184 119.914 0.268 0.000 2.925 211 V HA 0.512 4.632 4.120 -0.000 0.000 0.311 211 V C -0.986 174.796 176.094 -0.520 0.000 1.104 211 V CA -1.154 60.980 62.300 -0.277 0.000 0.954 211 V CB 1.941 33.175 31.823 -0.982 0.000 1.022 211 V HN 0.399 nan 8.190 nan 0.000 0.427 212 K N 5.059 125.058 120.400 -0.669 0.000 2.270 212 K HA 0.548 4.868 4.320 -0.000 0.000 0.255 212 K C -1.458 174.811 176.600 -0.551 0.000 0.936 212 K CA -0.215 55.699 56.287 -0.622 0.000 0.809 212 K CB 2.009 34.137 32.500 -0.619 0.000 1.131 212 K HN 0.532 nan 8.250 nan 0.000 0.427 213 F N 2.260 122.122 119.950 -0.146 0.000 2.420 213 F HA 0.323 4.850 4.527 -0.000 0.000 0.342 213 F C 0.861 176.427 175.800 -0.390 0.000 1.113 213 F CA -0.403 57.488 58.000 -0.183 0.000 1.059 213 F CB 1.035 40.000 39.000 -0.058 0.000 1.128 213 F HN 0.264 nan 8.300 nan 0.000 0.475 214 H N 3.611 122.532 119.070 -0.248 0.000 2.589 214 H HA 0.370 4.926 4.556 -0.000 0.000 0.351 214 H C -1.436 173.496 175.328 -0.659 0.000 1.074 214 H CA -0.724 55.084 56.048 -0.400 0.000 1.203 214 H CB 1.991 31.601 29.762 -0.253 0.000 1.558 214 H HN 0.433 nan 8.280 nan 0.000 0.522 215 F N 1.975 121.741 119.950 -0.306 0.000 2.382 215 F HA 0.211 4.738 4.527 -0.000 0.000 0.361 215 F C 0.116 175.910 175.800 -0.010 0.000 1.109 215 F CA -0.827 57.119 58.000 -0.091 0.000 1.031 215 F CB 1.412 40.312 39.000 -0.167 0.000 1.234 215 F HN 0.166 nan 8.300 nan 0.000 0.445 216 V N 2.527 122.558 119.914 0.195 0.000 2.385 216 V HA 0.198 4.318 4.120 -0.000 0.000 0.269 216 V C 0.449 176.713 176.094 0.284 0.000 1.043 216 V CA -0.665 61.695 62.300 0.100 0.000 0.906 216 V CB 1.206 32.992 31.823 -0.062 0.000 0.995 216 V HN 0.771 nan 8.190 nan 0.000 0.467 217 S N 3.855 119.814 115.700 0.430 0.000 2.525 217 S HA 0.050 4.519 4.470 -0.000 0.000 0.285 217 S C 1.040 175.518 174.600 -0.202 0.000 1.283 217 S CA -0.158 57.921 58.200 -0.201 0.000 1.072 217 S CB 0.503 63.623 63.200 -0.133 0.000 0.867 217 S HN 0.803 nan 8.310 nan 0.000 0.492 218 Q N 2.915 122.482 119.800 -0.390 0.000 2.444 218 Q HA 0.007 4.346 4.340 -0.000 0.000 0.206 218 Q C 1.000 176.869 176.000 -0.218 0.000 0.948 218 Q CA 0.517 56.185 55.803 -0.225 0.000 0.946 218 Q CB 0.126 28.747 28.738 -0.195 0.000 1.027 218 Q HN 0.699 nan 8.270 nan 0.000 0.513 219 Q N -0.623 118.988 119.800 -0.315 0.000 2.352 219 Q HA 0.201 4.541 4.340 -0.000 0.000 0.212 219 Q C 0.447 176.410 176.000 -0.062 0.000 0.888 219 Q CA 0.535 56.184 55.803 -0.258 0.000 0.934 219 Q CB 1.283 29.675 28.738 -0.576 0.000 1.093 219 Q HN 0.366 nan 8.270 nan 0.000 0.523 220 G N 0.371 109.141 108.800 -0.048 0.000 2.757 220 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.638 220 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.638 220 G C -0.946 173.982 174.900 0.047 0.000 1.344 220 G CA -0.829 44.293 45.100 0.037 0.000 0.855 220 G HN 0.046 nan 8.290 nan 0.000 0.537 221 I N 0.890 121.472 120.570 0.020 0.000 2.331 221 I HA 0.505 4.674 4.170 -0.000 0.000 0.292 221 I C 0.594 176.724 176.117 0.021 0.000 0.998 221 I CA -0.136 61.160 61.300 -0.007 0.000 1.267 221 I CB 1.189 39.157 38.000 -0.053 0.000 1.386 221 I HN 0.511 nan 8.210 nan 0.000 0.476 222 K N 5.589 126.002 120.400 0.023 0.000 2.482 222 K HA 0.499 4.819 4.320 -0.000 0.000 0.251 222 K C -0.966 175.612 176.600 -0.036 0.000 0.936 222 K CA -0.801 55.441 56.287 -0.076 0.000 0.791 222 K CB 2.528 34.839 32.500 -0.316 0.000 1.213 222 K HN 0.483 nan 8.250 nan 0.000 0.428 223 N N 2.166 120.847 118.700 -0.031 0.000 2.469 223 N HA 0.544 5.284 4.740 -0.000 0.000 0.286 223 N C -1.076 174.430 175.510 -0.006 0.000 1.275 223 N CA -0.666 52.386 53.050 0.003 0.000 0.790 223 N CB 1.629 40.129 38.487 0.021 0.000 1.446 223 N HN 0.275 nan 8.380 nan 0.000 0.501 224 L N 0.638 121.873 121.223 0.020 0.000 2.346 224 L HA 0.430 4.770 4.340 -0.000 0.000 0.274 224 L C 0.820 177.708 176.870 0.029 0.000 1.007 224 L CA -0.734 54.118 54.840 0.019 0.000 0.818 224 L CB 1.792 43.871 42.059 0.035 0.000 1.284 224 L HN 0.633 nan 8.230 nan 0.000 0.424 225 S N -0.341 115.372 115.700 0.022 0.000 2.624 225 S HA 0.122 4.591 4.470 -0.000 0.000 0.263 225 S C 0.561 175.184 174.600 0.038 0.000 1.287 225 S CA -0.619 57.599 58.200 0.029 0.000 0.990 225 S CB 1.149 64.362 63.200 0.022 0.000 0.950 225 S HN 0.623 nan 8.310 nan 0.000 0.561 226 D N 1.377 121.804 120.400 0.046 0.000 2.116 226 D HA -0.109 4.531 4.640 -0.000 0.000 0.193 226 D C 2.223 178.546 176.300 0.038 0.000 0.998 226 D CA 2.022 56.052 54.000 0.049 0.000 0.836 226 D CB -0.893 39.942 40.800 0.058 0.000 0.951 226 D HN 0.710 nan 8.370 nan 0.000 0.449 227 A N 0.824 123.663 122.820 0.032 0.000 1.877 227 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 227 A C 2.120 179.717 177.584 0.022 0.000 1.186 227 A CA 1.755 53.807 52.037 0.025 0.000 0.620 227 A CB -0.618 18.395 19.000 0.021 0.000 0.822 227 A HN 0.235 nan 8.150 nan 0.000 0.443 228 E N -0.368 119.843 120.200 0.020 0.000 2.077 228 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 228 E C 2.291 178.903 176.600 0.021 0.000 0.989 228 E CA 1.002 57.411 56.400 0.015 0.000 0.800 228 E CB -0.283 29.423 29.700 0.009 0.000 0.746 228 E HN 0.619 nan 8.360 nan 0.000 0.452 229 A N 1.071 123.909 122.820 0.030 0.000 1.930 229 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 229 A C 2.397 180.000 177.584 0.032 0.000 1.175 229 A CA 1.541 53.601 52.037 0.038 0.000 0.627 229 A CB -1.067 17.960 19.000 0.045 0.000 0.815 229 A HN 0.358 nan 8.150 nan 0.000 0.443 230 G N -0.401 108.417 108.800 0.029 0.000 2.459 230 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 230 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 230 G C 1.496 176.409 174.900 0.021 0.000 1.183 230 G CA 1.127 46.242 45.100 0.026 0.000 0.776 230 G HN 0.644 nan 8.290 nan 0.000 0.552 231 E N -0.318 119.894 120.200 0.019 0.000 2.085 231 E HA -0.138 4.211 4.350 -0.000 0.000 0.194 231 E C 2.439 179.049 176.600 0.017 0.000 0.994 231 E CA 0.969 57.378 56.400 0.016 0.000 0.801 231 E CB -0.188 29.519 29.700 0.012 0.000 0.743 231 E HN 0.306 nan 8.360 nan 0.000 0.453 232 L N 0.552 121.787 121.223 0.020 0.000 2.017 232 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 232 L C 2.297 179.184 176.870 0.027 0.000 1.073 232 L CA 1.435 56.290 54.840 0.024 0.000 0.745 232 L CB -0.620 41.458 42.059 0.033 0.000 0.894 232 L HN 0.026 nan 8.230 nan 0.000 0.432 233 V N 0.202 120.132 119.914 0.027 0.000 2.343 233 V HA -0.220 3.899 4.120 -0.000 0.000 0.247 233 V C 2.657 178.763 176.094 0.020 0.000 1.051 233 V CA 1.706 64.021 62.300 0.024 0.000 1.036 233 V CB -1.667 30.169 31.823 0.021 0.000 0.654 233 V HN 0.650 nan 8.190 nan 0.000 0.451 234 G N -0.062 108.749 108.800 0.018 0.000 2.469 234 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 234 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 234 G C 1.373 176.282 174.900 0.015 0.000 1.136 234 G CA 1.461 46.571 45.100 0.016 0.000 0.759 234 G HN 0.640 nan 8.290 nan 0.000 0.562 235 N N -0.760 117.950 118.700 0.016 0.000 2.409 235 N HA 0.129 4.869 4.740 -0.000 0.000 0.174 235 N C -0.519 175.002 175.510 0.018 0.000 1.037 235 N CA 0.478 53.537 53.050 0.016 0.000 0.898 235 N CB 0.494 38.990 38.487 0.014 0.000 1.010 235 N HN 0.115 nan 8.380 nan 0.000 0.445 236 D N -0.909 119.504 120.400 0.023 0.000 2.419 236 D HA 0.223 4.863 4.640 -0.000 0.000 0.219 236 D C -0.241 176.079 176.300 0.032 0.000 1.349 236 D CA -0.356 53.661 54.000 0.027 0.000 0.964 236 D CB 0.804 41.622 40.800 0.030 0.000 1.463 236 D HN -0.256 nan 8.370 nan 0.000 0.573 237 R N 1.064 121.581 120.500 0.028 0.000 2.276 237 R HA 0.103 4.442 4.340 -0.000 0.000 0.203 237 R C 0.697 177.020 176.300 0.037 0.000 1.017 237 R CA 0.826 56.943 56.100 0.028 0.000 1.010 237 R CB 0.317 30.630 30.300 0.022 0.000 0.900 237 R HN 0.304 nan 8.270 nan 0.000 0.469 238 E N -0.784 119.444 120.200 0.045 0.000 2.585 238 E HA 0.082 4.432 4.350 -0.000 0.000 0.206 238 E C 0.839 177.489 176.600 0.084 0.000 1.007 238 E CA 0.218 56.655 56.400 0.061 0.000 1.028 238 E CB 0.495 30.221 29.700 0.043 0.000 1.087 238 E HN 0.219 nan 8.360 nan 0.000 0.455 239 S N 0.284 116.044 115.700 0.099 0.000 2.387 239 S HA -0.238 4.232 4.470 -0.000 0.000 0.230 239 S C 1.683 176.333 174.600 0.083 0.000 1.035 239 S CA 1.152 59.415 58.200 0.105 0.000 1.014 239 S CB -0.554 62.733 63.200 0.145 0.000 0.836 239 S HN 0.484 nan 8.310 nan 0.000 0.466 240 H N 0.161 119.170 119.070 -0.101 0.000 2.465 240 H HA 0.105 4.661 4.556 -0.000 0.000 0.289 240 H C 2.475 177.801 175.328 -0.004 0.000 1.022 240 H CA 1.177 57.084 56.048 -0.233 0.000 1.340 240 H CB -0.040 29.284 29.762 -0.730 0.000 1.437 240 H HN 0.483 nan 8.280 nan 0.000 0.539 241 Q N 2.069 122.006 119.800 0.228 0.000 2.084 241 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 241 Q C 2.306 178.404 176.000 0.164 0.000 0.978 241 Q CA 1.399 57.347 55.803 0.242 0.000 0.844 241 Q CB -0.109 28.747 28.738 0.197 0.000 0.898 241 Q HN 0.226 nan 8.270 nan 0.000 0.426 242 R N -0.141 120.423 120.500 0.107 0.000 2.080 242 R HA -0.186 4.154 4.340 -0.000 0.000 0.236 242 R C 1.914 178.256 176.300 0.070 0.000 1.137 242 R CA 1.989 58.135 56.100 0.077 0.000 0.943 242 R CB -0.559 29.771 30.300 0.049 0.000 0.846 242 R HN 0.527 nan 8.270 nan 0.000 0.431 243 D N -0.285 120.138 120.400 0.038 0.000 2.092 243 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 243 D C 1.902 178.250 176.300 0.079 0.000 0.994 243 D CA 1.308 55.320 54.000 0.020 0.000 0.828 243 D CB -0.057 40.702 40.800 -0.069 0.000 0.963 243 D HN 0.161 nan 8.370 nan 0.000 0.450 244 L N 0.027 121.333 121.223 0.137 0.000 1.994 244 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 244 L C 2.256 179.242 176.870 0.193 0.000 1.071 244 L CA 1.519 56.482 54.840 0.206 0.000 0.745 244 L CB -0.995 41.254 42.059 0.318 0.000 0.892 244 L HN 0.298 nan 8.230 nan 0.000 0.431 245 L N -0.584 120.748 121.223 0.182 0.000 1.989 245 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 245 L C 2.055 179.009 176.870 0.141 0.000 1.071 245 L CA 2.108 57.050 54.840 0.170 0.000 0.749 245 L CB -0.818 41.335 42.059 0.158 0.000 0.890 245 L HN 0.319 nan 8.230 nan 0.000 0.431 246 D N -0.964 119.502 120.400 0.109 0.000 2.117 246 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 246 D C 2.332 178.678 176.300 0.076 0.000 0.982 246 D CA 1.462 55.511 54.000 0.082 0.000 0.828 246 D CB -0.217 40.617 40.800 0.057 0.000 0.967 246 D HN 0.327 nan 8.370 nan 0.000 0.464 247 S N 0.412 116.161 115.700 0.082 0.000 2.359 247 S HA -0.115 4.354 4.470 -0.000 0.000 0.224 247 S C 2.189 176.843 174.600 0.090 0.000 1.035 247 S CA 0.650 58.890 58.200 0.066 0.000 1.018 247 S CB -0.209 63.035 63.200 0.073 0.000 0.876 247 S HN 0.271 nan 8.310 nan 0.000 0.448 248 I N 1.593 122.274 120.570 0.185 0.000 2.252 248 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 248 I C 1.987 178.260 176.117 0.260 0.000 1.102 248 I CA 1.149 62.638 61.300 0.315 0.000 1.385 248 I CB -0.468 37.735 38.000 0.340 0.000 1.064 248 I HN 0.170 nan 8.210 nan 0.000 0.414 249 D N 0.956 121.461 120.400 0.174 0.000 2.178 249 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 249 D C 1.479 177.823 176.300 0.073 0.000 0.980 249 D CA 1.256 55.337 54.000 0.133 0.000 0.842 249 D CB -0.516 40.349 40.800 0.108 0.000 0.948 249 D HN 0.463 nan 8.370 nan 0.000 0.472 250 N N 0.651 119.367 118.700 0.028 0.000 2.449 250 N HA -0.007 4.733 4.740 -0.000 0.000 0.191 250 N C -0.251 175.173 175.510 -0.143 0.000 1.161 250 N CA -0.058 52.972 53.050 -0.034 0.000 0.863 250 N CB 0.173 38.642 38.487 -0.029 0.000 0.980 250 N HN 0.102 nan 8.380 nan 0.000 0.458 251 Q N 0.141 119.799 119.800 -0.237 0.000 2.481 251 Q HA -0.206 4.134 4.340 -0.000 0.000 0.272 251 Q C -0.949 174.515 176.000 -0.894 0.000 1.157 251 Q CA 0.532 55.854 55.803 -0.802 0.000 0.935 251 Q CB -1.464 26.973 28.738 -0.501 0.000 1.338 251 Q HN 0.363 nan 8.270 nan 0.000 0.494 252 D N 0.244 120.356 120.400 -0.480 0.000 2.638 252 D HA 0.220 4.860 4.640 -0.000 0.000 0.245 252 D C -0.637 175.584 176.300 -0.131 0.000 1.176 252 D CA -0.327 53.505 54.000 -0.279 0.000 0.996 252 D CB -0.365 40.362 40.800 -0.122 0.000 1.012 252 D HN 0.131 nan 8.370 nan 0.000 0.515 253 F N 2.948 122.919 119.950 0.036 0.000 2.533 253 F HA 0.218 4.745 4.527 -0.000 0.000 0.378 253 F C -1.231 174.576 175.800 0.012 0.000 1.070 253 F CA -1.864 56.172 58.000 0.060 0.000 1.172 253 F CB 0.326 39.378 39.000 0.087 0.000 1.085 253 F HN 0.150 nan 8.300 nan 0.000 0.552 254 P HA 0.214 nan 4.420 nan 0.000 0.275 254 P C -1.063 176.186 177.300 -0.085 0.000 1.228 254 P CA -0.447 62.604 63.100 -0.081 0.000 0.786 254 P CB 1.318 32.958 31.700 -0.099 0.000 0.927 255 K N 1.315 121.470 120.400 -0.408 0.000 2.435 255 K HA 0.543 4.863 4.320 -0.000 0.000 0.251 255 K C -1.032 175.232 176.600 -0.561 0.000 0.954 255 K CA -0.486 55.644 56.287 -0.262 0.000 0.820 255 K CB 2.223 34.656 32.500 -0.112 0.000 1.292 255 K HN 0.519 nan 8.250 nan 0.000 0.436 256 W N 0.834 121.903 121.300 -0.384 0.000 3.022 256 W HA 0.255 4.915 4.660 -0.000 0.000 0.335 256 W C -0.745 175.761 176.519 -0.023 0.000 1.133 256 W CA -0.612 56.603 57.345 -0.216 0.000 1.219 256 W CB 2.506 31.793 29.460 -0.288 0.000 1.409 256 W HN 0.397 nan 8.180 nan 0.000 0.507 257 T N 3.715 118.435 114.554 0.276 0.000 2.733 257 T HA 0.216 4.566 4.350 -0.000 0.000 0.294 257 T C -0.327 174.528 174.700 0.259 0.000 0.956 257 T CA -0.508 61.741 62.100 0.249 0.000 0.987 257 T CB 0.860 69.804 68.868 0.125 0.000 0.920 257 T HN 0.192 nan 8.240 nan 0.000 0.470 258 L N 4.981 126.409 121.223 0.342 0.000 2.361 258 L HA 0.400 4.740 4.340 -0.000 0.000 0.278 258 L C -0.198 176.679 176.870 0.012 0.000 1.113 258 L CA 0.449 55.328 54.840 0.065 0.000 0.849 258 L CB -0.189 42.045 42.059 0.292 0.000 1.155 258 L HN 0.482 nan 8.230 nan 0.000 0.452 259 K N 4.756 125.090 120.400 -0.110 0.000 2.318 259 K HA 0.741 5.061 4.320 -0.000 0.000 0.249 259 K C -1.270 175.286 176.600 -0.073 0.000 0.942 259 K CA -0.985 55.243 56.287 -0.097 0.000 0.808 259 K CB 2.501 34.911 32.500 -0.151 0.000 1.189 259 K HN 0.504 nan 8.250 nan 0.000 0.428 260 V N -1.108 118.756 119.914 -0.084 0.000 2.715 260 V HA 0.473 4.593 4.120 -0.000 0.000 0.310 260 V C -0.825 175.196 176.094 -0.121 0.000 1.054 260 V CA -1.011 61.229 62.300 -0.100 0.000 0.928 260 V CB 1.681 33.427 31.823 -0.127 0.000 1.007 260 V HN 0.706 nan 8.190 nan 0.000 0.437 261 Q N 2.529 122.277 119.800 -0.086 0.000 2.271 261 Q HA 0.715 5.054 4.340 -0.000 0.000 0.258 261 Q C -1.273 174.781 176.000 0.089 0.000 0.936 261 Q CA -0.450 55.376 55.803 0.039 0.000 0.909 261 Q CB 2.566 31.428 28.738 0.205 0.000 1.253 261 Q HN 0.777 nan 8.270 nan 0.000 0.440 262 I N 2.750 123.364 120.570 0.074 0.000 2.418 262 I HA 0.368 4.537 4.170 -0.000 0.000 0.287 262 I C -0.755 175.388 176.117 0.044 0.000 1.008 262 I CA -0.343 60.932 61.300 -0.041 0.000 1.104 262 I CB 1.598 39.274 38.000 -0.539 0.000 1.264 262 I HN 0.484 nan 8.210 nan 0.000 0.438 263 M N 9.175 128.781 119.600 0.011 0.000 2.125 263 M HA 0.560 5.039 4.480 -0.000 0.000 0.321 263 M C -2.666 173.698 176.300 0.107 0.000 0.983 263 M CA -1.687 53.489 55.300 -0.207 0.000 0.934 263 M CB 1.890 33.934 32.600 -0.926 0.000 1.542 263 M HN 0.121 nan 8.290 nan 0.000 0.424 264 P HA 0.028 nan 4.420 nan 0.000 0.268 264 P C -0.044 177.251 177.300 -0.009 0.000 1.205 264 P CA 0.218 63.373 63.100 0.091 0.000 0.771 264 P CB 0.508 32.281 31.700 0.121 0.000 0.858 265 E N 2.467 122.554 120.200 -0.188 0.000 2.097 265 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 265 E C 1.810 178.469 176.600 0.097 0.000 1.000 265 E CA 1.683 58.012 56.400 -0.119 0.000 0.804 265 E CB -0.274 29.259 29.700 -0.279 0.000 0.740 265 E HN 0.520 nan 8.360 nan 0.000 0.454 266 A N 1.222 124.053 122.820 0.019 0.000 1.940 266 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 266 A C 1.655 179.260 177.584 0.035 0.000 1.176 266 A CA 1.919 53.975 52.037 0.031 0.000 0.631 266 A CB -0.457 18.545 19.000 0.004 0.000 0.814 266 A HN 0.216 nan 8.150 nan 0.000 0.446 267 D N 0.145 120.565 120.400 0.034 0.000 2.221 267 D HA -0.038 4.602 4.640 -0.000 0.000 0.204 267 D C 2.079 178.331 176.300 -0.079 0.000 0.982 267 D CA 1.250 55.246 54.000 -0.007 0.000 0.857 267 D CB -0.336 40.485 40.800 0.035 0.000 0.934 267 D HN 0.462 nan 8.370 nan 0.000 0.475 268 A N 0.742 123.543 122.820 -0.032 0.000 1.978 268 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 268 A C 2.214 179.720 177.584 -0.130 0.000 1.170 268 A CA 1.913 53.862 52.037 -0.147 0.000 0.636 268 A CB -0.563 18.437 19.000 0.000 0.000 0.810 268 A HN 0.248 nan 8.150 nan 0.000 0.448 269 A N -0.991 121.804 122.820 -0.043 0.000 2.169 269 A HA 0.158 4.478 4.320 -0.000 0.000 0.212 269 A C 1.995 179.528 177.584 -0.086 0.000 1.153 269 A CA 1.879 53.888 52.037 -0.046 0.000 0.756 269 A CB -0.546 18.449 19.000 -0.007 0.000 0.813 269 A HN 0.763 nan 8.150 nan 0.000 0.471 270 T N -3.318 111.166 114.554 -0.116 0.000 2.958 270 T HA 0.299 4.648 4.350 -0.000 0.000 0.256 270 T C 0.481 175.065 174.700 -0.194 0.000 0.983 270 T CA 0.443 62.469 62.100 -0.123 0.000 0.924 270 T CB -1.011 67.807 68.868 -0.083 0.000 1.136 270 T HN 0.489 nan 8.240 nan 0.000 0.506 271 V N 1.385 121.121 119.914 -0.296 0.000 2.843 271 V HA 0.372 4.492 4.120 -0.000 0.000 0.305 271 V C -1.066 174.711 176.094 -0.528 0.000 1.065 271 V CA -1.407 60.584 62.300 -0.516 0.000 1.116 271 V CB 0.305 31.621 31.823 -0.846 0.000 0.968 271 V HN 0.104 nan 8.190 nan 0.000 0.487 272 P HA 0.124 nan 4.420 nan 0.000 0.245 272 P C -0.342 176.848 177.300 -0.183 0.000 1.212 272 P CA 0.575 63.513 63.100 -0.270 0.000 0.774 272 P CB -0.267 31.358 31.700 -0.126 0.000 0.999 273 Y N -1.964 118.305 120.300 -0.051 0.000 2.509 273 Y HA 0.608 5.158 4.550 -0.000 0.000 0.341 273 Y C 0.291 176.138 175.900 -0.088 0.000 1.038 273 Y CA -2.590 55.483 58.100 -0.045 0.000 1.089 273 Y CB -0.150 38.310 38.460 0.000 0.000 1.241 273 Y HN -0.344 nan 8.280 nan 0.000 0.468 274 N N 4.246 123.004 118.700 0.097 0.000 2.429 274 N HA 0.085 4.825 4.740 -0.000 0.000 0.271 274 N C -1.778 173.747 175.510 0.025 0.000 1.272 274 N CA -2.064 50.992 53.050 0.010 0.000 0.921 274 N CB 0.695 39.209 38.487 0.044 0.000 1.128 274 N HN 0.525 nan 8.380 nan 0.000 0.481 275 P HA -0.016 nan 4.420 nan 0.000 0.237 275 P C 0.029 177.154 177.300 -0.291 0.000 1.178 275 P CA 0.817 63.782 63.100 -0.224 0.000 0.766 275 P CB -0.005 31.221 31.700 -0.790 0.000 0.876 276 F N -0.716 119.252 119.950 0.030 0.000 2.639 276 F HA 0.255 4.782 4.527 -0.000 0.000 0.302 276 F C 0.779 176.572 175.800 -0.012 0.000 1.097 276 F CA -1.154 56.814 58.000 -0.053 0.000 1.294 276 F CB -0.368 38.534 39.000 -0.164 0.000 1.027 276 F HN -0.172 nan 8.300 nan 0.000 0.550 277 D N 1.530 122.008 120.400 0.129 0.000 2.336 277 D HA 0.043 4.683 4.640 -0.000 0.000 0.249 277 D C 1.231 177.564 176.300 0.057 0.000 1.213 277 D CA 0.049 54.104 54.000 0.091 0.000 0.870 277 D CB 1.076 41.924 40.800 0.080 0.000 1.076 277 D HN 0.128 nan 8.370 nan 0.000 0.483 278 L N 4.176 125.433 121.223 0.055 0.000 2.353 278 L HA -0.095 4.244 4.340 -0.000 0.000 0.220 278 L C 2.127 178.982 176.870 -0.025 0.000 1.133 278 L CA 1.746 56.590 54.840 0.007 0.000 0.798 278 L CB -0.631 41.461 42.059 0.055 0.000 0.922 278 L HN 0.579 nan 8.230 nan 0.000 0.445 279 T N -4.104 110.457 114.554 0.012 0.000 3.148 279 T HA 0.062 4.412 4.350 -0.000 0.000 0.253 279 T C 0.730 175.475 174.700 0.075 0.000 1.134 279 T CA 0.064 62.169 62.100 0.008 0.000 1.051 279 T CB -0.255 68.642 68.868 0.047 0.000 0.959 279 T HN 0.223 nan 8.240 nan 0.000 0.525 280 K N 1.313 121.737 120.400 0.041 0.000 2.318 280 K HA 0.624 4.944 4.320 -0.000 0.000 0.249 280 K C -0.442 176.150 176.600 -0.013 0.000 0.942 280 K CA -1.053 55.279 56.287 0.075 0.000 0.808 280 K CB 2.836 35.378 32.500 0.070 0.000 1.189 280 K HN 0.132 nan 8.250 nan 0.000 0.428 281 V N -1.610 118.310 119.914 0.011 0.000 2.973 281 V HA 0.525 4.645 4.120 -0.000 0.000 0.314 281 V C -0.871 175.217 176.094 -0.011 0.000 1.066 281 V CA -0.867 61.409 62.300 -0.040 0.000 1.021 281 V CB 0.770 32.607 31.823 0.023 0.000 1.076 281 V HN 0.594 nan 8.190 nan 0.000 0.462 282 W N 1.312 122.522 121.300 -0.150 0.000 2.331 282 W HA 0.538 5.197 4.660 -0.000 0.000 0.306 282 W C -2.418 174.096 176.519 -0.009 0.000 1.162 282 W CA -2.868 54.358 57.345 -0.199 0.000 1.232 282 W CB -0.357 29.098 29.460 -0.008 0.000 1.235 282 W HN 0.440 nan 8.180 nan 0.000 0.479 283 P HA -0.078 nan 4.420 nan 0.000 0.262 283 P C 0.741 178.240 177.300 0.332 0.000 1.182 283 P CA 0.584 63.790 63.100 0.177 0.000 0.761 283 P CB 0.624 32.381 31.700 0.095 0.000 0.795 284 H N 2.389 121.514 119.070 0.091 0.000 2.456 284 H HA -0.095 4.461 4.556 -0.000 0.000 0.296 284 H C 1.546 176.894 175.328 0.032 0.000 1.079 284 H CA 1.339 57.426 56.048 0.065 0.000 1.322 284 H CB -0.188 29.586 29.762 0.019 0.000 1.388 284 H HN 0.439 nan 8.280 nan 0.000 0.538 285 K N 0.155 120.642 120.400 0.145 0.000 2.103 285 K HA -0.130 4.189 4.320 -0.000 0.000 0.207 285 K C 1.250 177.834 176.600 -0.027 0.000 1.048 285 K CA 1.559 57.875 56.287 0.049 0.000 0.930 285 K CB 0.105 32.629 32.500 0.039 0.000 0.716 285 K HN 0.350 nan 8.250 nan 0.000 0.444 286 D N -0.778 119.603 120.400 -0.032 0.000 2.137 286 D HA -0.058 4.582 4.640 -0.000 0.000 0.202 286 D C 0.014 175.903 176.300 -0.686 0.000 0.970 286 D CA 1.211 55.024 54.000 -0.311 0.000 0.837 286 D CB 0.119 40.852 40.800 -0.111 0.000 0.981 286 D HN 0.134 nan 8.370 nan 0.000 0.475 287 Y N 0.674 121.025 120.300 0.085 0.000 2.488 287 Y HA 0.310 4.860 4.550 -0.000 0.000 0.330 287 Y C -2.283 173.611 175.900 -0.010 0.000 1.013 287 Y CA -2.454 55.684 58.100 0.063 0.000 1.304 287 Y CB 1.790 40.347 38.460 0.162 0.000 1.098 287 Y HN -0.158 nan 8.280 nan 0.000 0.498 288 P HA 0.059 nan 4.420 nan 0.000 0.274 288 P C -0.412 176.790 177.300 -0.163 0.000 1.231 288 P CA -0.396 62.655 63.100 -0.082 0.000 0.790 288 P CB 1.327 32.999 31.700 -0.048 0.000 0.951 289 L N 2.775 123.816 121.223 -0.303 0.000 2.499 289 L HA 0.086 4.426 4.340 -0.000 0.000 0.273 289 L C 0.735 177.495 176.870 -0.184 0.000 1.195 289 L CA 0.521 55.170 54.840 -0.318 0.000 0.882 289 L CB -1.004 40.831 42.059 -0.374 0.000 1.133 289 L HN 0.280 nan 8.230 nan 0.000 0.483 290 I N 3.025 123.499 120.570 -0.159 0.000 2.382 290 I HA 0.226 4.396 4.170 -0.000 0.000 0.286 290 I C 0.431 176.463 176.117 -0.143 0.000 1.002 290 I CA -0.598 60.629 61.300 -0.121 0.000 1.135 290 I CB 1.442 39.399 38.000 -0.071 0.000 1.288 290 I HN 0.584 nan 8.210 nan 0.000 0.448 291 E N 4.374 124.437 120.200 -0.228 0.000 2.392 291 E HA 0.168 4.518 4.350 -0.000 0.000 0.264 291 E C -0.107 176.377 176.600 -0.193 0.000 1.024 291 E CA -0.011 56.220 56.400 -0.281 0.000 0.903 291 E CB 1.156 30.531 29.700 -0.541 0.000 0.963 291 E HN 0.480 nan 8.360 nan 0.000 0.432 292 V N 2.504 122.431 119.914 0.022 0.000 3.103 292 V HA 0.424 4.544 4.120 -0.000 0.000 0.229 292 V C 0.669 176.963 176.094 0.333 0.000 1.304 292 V CA 0.490 62.887 62.300 0.162 0.000 1.298 292 V CB 0.792 32.669 31.823 0.089 0.000 1.093 292 V HN 0.809 nan 8.190 nan 0.000 0.489 293 G N 0.365 109.387 108.800 0.370 0.000 2.428 293 G HA2 0.572 4.532 3.960 -0.000 0.000 0.304 293 G HA3 0.572 4.532 3.960 -0.000 0.000 0.304 293 G C -1.959 173.132 174.900 0.318 0.000 1.303 293 G CA 0.015 45.260 45.100 0.241 0.000 0.825 293 G HN 0.384 nan 8.290 nan 0.000 0.484 294 E N -1.526 118.757 120.200 0.139 0.000 2.408 294 E HA 0.738 5.088 4.350 -0.000 0.000 0.275 294 E C -1.530 175.354 176.600 0.472 0.000 0.935 294 E CA -1.100 55.497 56.400 0.329 0.000 0.775 294 E CB 2.587 32.396 29.700 0.181 0.000 1.277 294 E HN 0.957 nan 8.360 nan 0.000 0.455 295 F N -0.436 119.841 119.950 0.544 0.000 2.563 295 F HA 0.679 5.206 4.527 -0.000 0.000 0.316 295 F C -1.049 174.997 175.800 0.410 0.000 1.076 295 F CA -0.919 57.380 58.000 0.498 0.000 0.921 295 F CB 1.761 41.129 39.000 0.614 0.000 1.209 295 F HN 0.625 nan 8.300 nan 0.000 0.462 296 E N 3.677 124.189 120.200 0.519 0.000 2.266 296 E HA 0.636 4.985 4.350 -0.000 0.000 0.268 296 E C -1.949 174.900 176.600 0.415 0.000 0.879 296 E CA -1.007 55.621 56.400 0.381 0.000 0.762 296 E CB 2.457 32.296 29.700 0.232 0.000 1.199 296 E HN 0.825 nan 8.360 nan 0.000 0.422 297 L N 3.353 124.818 121.223 0.404 0.000 2.272 297 L HA 0.394 4.734 4.340 -0.000 0.000 0.289 297 L C -0.236 176.693 176.870 0.099 0.000 1.032 297 L CA -0.713 54.294 54.840 0.278 0.000 0.810 297 L CB 0.639 42.911 42.059 0.355 0.000 1.205 297 L HN 0.737 nan 8.230 nan 0.000 0.422 298 N N 1.729 120.362 118.700 -0.113 0.000 2.167 298 N HA 0.146 4.886 4.740 -0.000 0.000 0.234 298 N C -0.164 175.204 175.510 -0.238 0.000 1.312 298 N CA -0.618 52.051 53.050 -0.635 0.000 0.861 298 N CB 0.655 38.387 38.487 -1.258 0.000 1.217 298 N HN 0.483 nan 8.380 nan 0.000 0.504 299 R N 0.248 120.776 120.500 0.047 0.000 2.512 299 R HA 0.352 4.692 4.340 -0.000 0.000 0.291 299 R C -1.558 174.904 176.300 0.271 0.000 1.097 299 R CA -0.459 55.732 56.100 0.152 0.000 0.940 299 R CB 0.844 31.220 30.300 0.126 0.000 1.198 299 R HN 0.156 nan 8.270 nan 0.000 0.429 300 N N 4.214 123.062 118.700 0.245 0.000 2.525 300 N HA 0.239 4.978 4.740 -0.000 0.000 0.271 300 N C -2.419 173.280 175.510 0.314 0.000 1.194 300 N CA -1.220 51.985 53.050 0.259 0.000 0.964 300 N CB 0.803 39.419 38.487 0.216 0.000 1.126 300 N HN 0.304 nan 8.380 nan 0.000 0.452 301 P HA -0.008 nan 4.420 nan 0.000 0.269 301 P C 0.054 177.492 177.300 0.231 0.000 1.209 301 P CA -0.061 63.253 63.100 0.356 0.000 0.776 301 P CB 0.675 32.539 31.700 0.273 0.000 0.876 302 Q N 0.749 120.655 119.800 0.177 0.000 2.123 302 Q HA -0.044 4.296 4.340 -0.000 0.000 0.199 302 Q C 0.456 176.541 176.000 0.143 0.000 0.966 302 Q CA 1.077 56.958 55.803 0.129 0.000 0.845 302 Q CB 0.113 28.900 28.738 0.081 0.000 0.907 302 Q HN 0.479 nan 8.270 nan 0.000 0.439 303 N N -0.928 117.864 118.700 0.153 0.000 2.461 303 N HA 0.005 4.745 4.740 -0.000 0.000 0.284 303 N C -0.435 175.201 175.510 0.210 0.000 1.049 303 N CA -0.064 53.095 53.050 0.181 0.000 0.889 303 N CB 1.092 39.674 38.487 0.157 0.000 1.365 303 N HN 0.020 nan 8.380 nan 0.000 0.499 304 Y N 4.962 125.348 120.300 0.144 0.000 2.128 304 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 304 Y C 1.753 177.732 175.900 0.132 0.000 1.154 304 Y CA 1.793 59.976 58.100 0.139 0.000 1.149 304 Y CB -0.278 38.268 38.460 0.143 0.000 0.976 304 Y HN 0.652 nan 8.280 nan 0.000 0.505 305 F N 0.635 120.740 119.950 0.259 0.000 2.046 305 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 305 F C 2.378 178.174 175.800 -0.007 0.000 1.123 305 F CA 2.205 60.287 58.000 0.136 0.000 1.199 305 F CB -1.002 38.074 39.000 0.127 0.000 0.972 305 F HN 0.076 nan 8.300 nan 0.000 0.474 306 A N -0.609 122.258 122.820 0.078 0.000 1.972 306 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 306 A C 2.035 179.488 177.584 -0.219 0.000 1.169 306 A CA 1.984 53.982 52.037 -0.064 0.000 0.635 306 A CB -0.610 18.448 19.000 0.097 0.000 0.810 306 A HN 0.636 nan 8.150 nan 0.000 0.446 307 E N -1.522 118.549 120.200 -0.215 0.000 2.290 307 E HA 0.094 4.444 4.350 -0.000 0.000 0.199 307 E C 1.642 177.951 176.600 -0.484 0.000 0.912 307 E CA 0.643 56.854 56.400 -0.315 0.000 0.924 307 E CB 0.348 29.965 29.700 -0.138 0.000 0.901 307 E HN 0.363 nan 8.360 nan 0.000 0.487 308 V N 0.751 120.401 119.914 -0.439 0.000 2.627 308 V HA -0.068 4.052 4.120 -0.000 0.000 0.239 308 V C 2.124 177.953 176.094 -0.443 0.000 1.077 308 V CA 1.146 63.191 62.300 -0.424 0.000 1.103 308 V CB -0.022 31.306 31.823 -0.825 0.000 0.802 308 V HN 0.051 nan 8.190 nan 0.000 0.482 309 E N 0.996 120.858 120.200 -0.563 0.000 2.058 309 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 309 E C 2.120 178.499 176.600 -0.367 0.000 0.997 309 E CA 1.675 57.877 56.400 -0.330 0.000 0.801 309 E CB -0.221 29.375 29.700 -0.174 0.000 0.746 309 E HN 0.609 nan 8.360 nan 0.000 0.450 310 Q N -0.292 119.196 119.800 -0.520 0.000 2.444 310 Q HA 0.229 4.568 4.340 -0.000 0.000 0.206 310 Q C -0.142 175.668 176.000 -0.316 0.000 0.948 310 Q CA 0.179 55.719 55.803 -0.438 0.000 0.946 310 Q CB 0.364 28.805 28.738 -0.496 0.000 1.027 310 Q HN 0.226 nan 8.270 nan 0.000 0.513 311 A N 1.070 123.703 122.820 -0.311 0.000 2.511 311 A HA 0.447 4.767 4.320 -0.000 0.000 0.242 311 A C -0.150 177.291 177.584 -0.237 0.000 1.069 311 A CA 0.228 52.069 52.037 -0.327 0.000 0.763 311 A CB 0.246 19.113 19.000 -0.221 0.000 1.001 311 A HN 0.268 nan 8.150 nan 0.000 0.498 312 A N 2.389 125.005 122.820 -0.340 0.000 2.357 312 A HA 0.690 5.010 4.320 -0.000 0.000 0.295 312 A C -1.019 176.378 177.584 -0.311 0.000 1.121 312 A CA -0.413 51.510 52.037 -0.189 0.000 0.742 312 A CB 0.434 19.378 19.000 -0.094 0.000 1.181 312 A HN 0.652 nan 8.150 nan 0.000 0.454 313 F N 1.877 121.787 119.950 -0.066 0.000 2.411 313 F HA 0.421 4.948 4.527 -0.000 0.000 0.352 313 F C 0.572 176.313 175.800 -0.097 0.000 1.123 313 F CA -0.358 57.569 58.000 -0.121 0.000 1.044 313 F CB 1.822 40.699 39.000 -0.205 0.000 1.135 313 F HN 0.680 nan 8.300 nan 0.000 0.461 314 N N 5.095 123.808 118.700 0.022 0.000 2.483 314 N HA 0.308 5.048 4.740 -0.000 0.000 0.267 314 N C -2.242 173.207 175.510 -0.102 0.000 0.998 314 N CA -2.011 51.009 53.050 -0.051 0.000 0.918 314 N CB 2.019 40.532 38.487 0.044 0.000 1.215 314 N HN 0.148 nan 8.380 nan 0.000 0.500 315 P HA -0.140 nan 4.420 nan 0.000 0.220 315 P C 0.777 178.181 177.300 0.174 0.000 1.144 315 P CA 0.918 63.976 63.100 -0.069 0.000 0.800 315 P CB 0.211 31.793 31.700 -0.197 0.000 0.772 316 A N -0.987 121.888 122.820 0.091 0.000 2.119 316 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 316 A C 1.063 178.842 177.584 0.326 0.000 1.153 316 A CA 0.636 52.807 52.037 0.224 0.000 0.692 316 A CB -1.329 17.713 19.000 0.070 0.000 0.799 316 A HN 0.279 nan 8.150 nan 0.000 0.458 317 N N 0.155 118.980 118.700 0.209 0.000 2.671 317 N HA 0.331 5.071 4.740 -0.000 0.000 0.274 317 N C -0.669 174.993 175.510 0.253 0.000 1.188 317 N CA -0.302 52.854 53.050 0.178 0.000 1.065 317 N CB 0.786 39.330 38.487 0.096 0.000 1.415 317 N HN 0.173 nan 8.380 nan 0.000 0.511 318 V N 1.803 121.841 119.914 0.208 0.000 3.193 318 V HA 0.562 4.682 4.120 -0.000 0.000 0.320 318 V C -0.155 175.915 176.094 -0.041 0.000 1.112 318 V CA -0.614 61.744 62.300 0.096 0.000 1.026 318 V CB 2.073 33.863 31.823 -0.055 0.000 1.128 318 V HN 0.218 nan 8.190 nan 0.000 0.452 319 V N 0.430 120.218 119.914 -0.210 0.000 3.001 319 V HA 0.707 4.827 4.120 -0.000 0.000 0.314 319 V C -2.839 173.144 176.094 -0.185 0.000 1.099 319 V CA -2.848 59.334 62.300 -0.196 0.000 0.989 319 V CB 1.385 33.070 31.823 -0.230 0.000 1.040 319 V HN 0.718 nan 8.190 nan 0.000 0.434 320 P HA 0.310 nan 4.420 nan 0.000 0.262 320 P C 0.982 178.256 177.300 -0.044 0.000 1.182 320 P CA 2.016 65.104 63.100 -0.020 0.000 0.761 320 P CB 0.601 32.378 31.700 0.127 0.000 0.795 321 G N 2.308 111.100 108.800 -0.014 0.000 2.213 321 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 321 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 321 G C -0.014 174.919 174.900 0.055 0.000 0.991 321 G CA -0.286 44.806 45.100 -0.014 0.000 0.629 321 G HN 0.500 nan 8.290 nan 0.000 0.517 322 I N 0.754 121.314 120.570 -0.016 0.000 2.533 322 I HA 0.707 4.877 4.170 -0.000 0.000 0.290 322 I C 0.052 176.113 176.117 -0.093 0.000 1.056 322 I CA -0.651 60.675 61.300 0.044 0.000 1.057 322 I CB 2.099 39.961 38.000 -0.231 0.000 1.240 322 I HN 0.150 nan 8.210 nan 0.000 0.423 323 S N 3.806 119.485 115.700 -0.035 0.000 2.973 323 S HA 0.717 5.186 4.470 -0.000 0.000 0.317 323 S C -0.939 173.623 174.600 -0.063 0.000 1.196 323 S CA -0.389 57.623 58.200 -0.314 0.000 0.894 323 S CB 1.010 64.074 63.200 -0.227 0.000 1.292 323 S HN 0.305 nan 8.310 nan 0.000 0.614 324 F N 1.768 121.898 119.950 0.301 0.000 2.355 324 F HA 0.789 5.316 4.527 -0.000 0.000 0.340 324 F C 0.955 176.923 175.800 0.280 0.000 1.067 324 F CA -0.251 57.909 58.000 0.267 0.000 1.116 324 F CB 0.342 39.418 39.000 0.127 0.000 1.582 324 F HN 0.616 nan 8.300 nan 0.000 0.512 325 S N -0.697 115.180 115.700 0.293 0.000 2.596 325 S HA 0.480 4.950 4.470 -0.000 0.000 0.270 325 S C -2.776 171.665 174.600 -0.265 0.000 1.155 325 S CA -1.158 57.058 58.200 0.026 0.000 0.827 325 S CB 1.790 64.948 63.200 -0.068 0.000 1.130 325 S HN 0.274 nan 8.310 nan 0.000 0.467 326 P HA 0.130 nan 4.420 nan 0.000 0.258 326 P C -0.286 176.759 177.300 -0.425 0.000 1.319 326 P CA 0.087 62.875 63.100 -0.520 0.000 0.785 326 P CB -0.693 30.637 31.700 -0.618 0.000 1.252 327 D N 1.412 121.611 120.400 -0.334 0.000 2.426 327 D HA -0.061 4.579 4.640 -0.000 0.000 0.261 327 D C 1.125 177.352 176.300 -0.122 0.000 1.245 327 D CA 0.343 54.280 54.000 -0.105 0.000 0.917 327 D CB 0.762 41.535 40.800 -0.045 0.000 1.123 327 D HN 0.047 nan 8.370 nan 0.000 0.508 328 K N 3.605 123.975 120.400 -0.049 0.000 2.152 328 K HA -0.153 4.166 4.320 -0.000 0.000 0.206 328 K C 1.899 178.484 176.600 -0.025 0.000 1.048 328 K CA 0.854 57.123 56.287 -0.029 0.000 0.933 328 K CB 0.020 32.538 32.500 0.030 0.000 0.721 328 K HN 0.525 nan 8.250 nan 0.000 0.447 329 M N 0.468 120.075 119.600 0.011 0.000 2.132 329 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 329 M C 2.326 178.560 176.300 -0.109 0.000 1.065 329 M CA 1.110 56.444 55.300 0.057 0.000 1.122 329 M CB -0.819 31.914 32.600 0.221 0.000 1.365 329 M HN 0.154 nan 8.290 nan 0.000 0.411 330 L N 1.034 121.999 121.223 -0.430 0.000 2.046 330 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 330 L C 2.438 179.072 176.870 -0.393 0.000 1.077 330 L CA 1.833 56.204 54.840 -0.781 0.000 0.747 330 L CB -0.850 40.551 42.059 -1.096 0.000 0.896 330 L HN 0.280 nan 8.230 nan 0.000 0.432 331 Q N -0.014 119.621 119.800 -0.275 0.000 2.077 331 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 331 Q C 2.161 178.085 176.000 -0.126 0.000 0.989 331 Q CA 1.851 57.534 55.803 -0.201 0.000 0.853 331 Q CB -1.058 27.600 28.738 -0.133 0.000 0.907 331 Q HN 0.679 nan 8.270 nan 0.000 0.418 332 G N 0.964 109.723 108.800 -0.068 0.000 2.440 332 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 332 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 332 G C 1.525 176.446 174.900 0.034 0.000 1.154 332 G CA 0.627 45.736 45.100 0.014 0.000 0.767 332 G HN 0.288 nan 8.290 nan 0.000 0.552 333 R N -0.182 120.298 120.500 -0.033 0.000 2.152 333 R HA 0.090 4.430 4.340 -0.000 0.000 0.232 333 R C 2.480 178.792 176.300 0.019 0.000 1.117 333 R CA 0.549 56.672 56.100 0.039 0.000 0.981 333 R CB -0.381 29.893 30.300 -0.043 0.000 0.870 333 R HN 0.345 nan 8.270 nan 0.000 0.451 334 L N -0.339 120.824 121.223 -0.100 0.000 2.191 334 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 334 L C 2.124 179.003 176.870 0.016 0.000 1.103 334 L CA 1.021 55.771 54.840 -0.151 0.000 0.769 334 L CB -0.315 41.542 42.059 -0.337 0.000 0.908 334 L HN 0.182 nan 8.230 nan 0.000 0.438 335 F N 0.544 120.459 119.950 -0.060 0.000 2.243 335 F HA 0.115 4.641 4.527 -0.000 0.000 0.287 335 F C 2.432 178.239 175.800 0.011 0.000 1.067 335 F CA 0.837 58.822 58.000 -0.026 0.000 1.304 335 F CB -0.377 38.602 39.000 -0.035 0.000 1.087 335 F HN -0.095 nan 8.300 nan 0.000 0.513 336 A N -0.421 122.228 122.820 -0.286 0.000 1.972 336 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 336 A C 1.955 179.304 177.584 -0.390 0.000 1.169 336 A CA 1.731 53.477 52.037 -0.486 0.000 0.635 336 A CB -1.418 17.428 19.000 -0.258 0.000 0.810 336 A HN 0.570 nan 8.150 nan 0.000 0.446 337 Y N -0.250 119.882 120.300 -0.279 0.000 2.176 337 Y HA 0.055 4.605 4.550 -0.000 0.000 0.291 337 Y C 2.834 178.627 175.900 -0.178 0.000 1.122 337 Y CA 0.831 58.815 58.100 -0.192 0.000 1.128 337 Y CB -1.088 37.297 38.460 -0.124 0.000 1.005 337 Y HN 0.293 nan 8.280 nan 0.000 0.509 338 G N -0.400 108.406 108.800 0.009 0.000 2.469 338 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.219 338 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.219 338 G C 1.298 176.133 174.900 -0.108 0.000 1.150 338 G CA 1.507 46.597 45.100 -0.017 0.000 0.763 338 G HN 0.409 nan 8.290 nan 0.000 0.561 339 D N 0.794 121.023 120.400 -0.285 0.000 2.088 339 D HA -0.037 4.603 4.640 -0.000 0.000 0.191 339 D C 2.769 178.951 176.300 -0.196 0.000 0.992 339 D CA 1.854 55.653 54.000 -0.335 0.000 0.831 339 D CB -0.506 39.814 40.800 -0.800 0.000 0.973 339 D HN 0.231 nan 8.370 nan 0.000 0.447 340 A N -0.266 122.413 122.820 -0.234 0.000 1.948 340 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 340 A C 2.203 179.736 177.584 -0.086 0.000 1.177 340 A CA 2.000 53.953 52.037 -0.139 0.000 0.636 340 A CB -0.752 18.119 19.000 -0.214 0.000 0.815 340 A HN 0.413 nan 8.150 nan 0.000 0.449 341 Q N -1.057 118.645 119.800 -0.162 0.000 2.123 341 Q HA -0.058 4.282 4.340 -0.000 0.000 0.199 341 Q C 2.353 178.115 176.000 -0.396 0.000 0.966 341 Q CA 1.190 56.800 55.803 -0.323 0.000 0.845 341 Q CB -0.090 28.416 28.738 -0.388 0.000 0.907 341 Q HN 0.630 nan 8.270 nan 0.000 0.439 342 R N -0.580 119.826 120.500 -0.157 0.000 2.096 342 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 342 R C 2.077 178.369 176.300 -0.013 0.000 1.127 342 R CA 1.465 57.552 56.100 -0.022 0.000 0.968 342 R CB -0.307 30.018 30.300 0.041 0.000 0.861 342 R HN 0.312 nan 8.270 nan 0.000 0.440 343 Y N 1.407 121.644 120.300 -0.104 0.000 2.163 343 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 343 Y C 2.499 178.348 175.900 -0.084 0.000 1.136 343 Y CA 1.601 59.654 58.100 -0.078 0.000 1.147 343 Y CB -0.134 38.282 38.460 -0.074 0.000 0.987 343 Y HN -0.160 nan 8.280 nan 0.000 0.509 344 R N -0.203 120.196 120.500 -0.169 0.000 2.090 344 R HA -0.036 4.304 4.340 -0.000 0.000 0.228 344 R C 1.362 177.513 176.300 -0.248 0.000 1.110 344 R CA 1.931 57.887 56.100 -0.239 0.000 0.973 344 R CB -0.138 30.102 30.300 -0.098 0.000 0.869 344 R HN 0.511 nan 8.270 nan 0.000 0.440 345 L N -1.108 119.970 121.223 -0.242 0.000 2.878 345 L HA 0.401 4.741 4.340 -0.000 0.000 0.253 345 L C 0.306 177.123 176.870 -0.089 0.000 1.135 345 L CA 0.053 54.778 54.840 -0.192 0.000 0.943 345 L CB 1.340 43.224 42.059 -0.291 0.000 1.307 345 L HN 0.411 nan 8.230 nan 0.000 0.545 346 G N 0.040 108.791 108.800 -0.080 0.000 2.675 346 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 346 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 346 G C 0.153 175.112 174.900 0.098 0.000 1.215 346 G CA -0.331 44.765 45.100 -0.006 0.000 0.777 346 G HN -0.238 nan 8.290 nan 0.000 0.638 347 V N 0.824 120.771 119.914 0.055 0.000 2.469 347 V HA -0.119 4.001 4.120 -0.000 0.000 0.251 347 V C 1.894 177.964 176.094 -0.040 0.000 1.064 347 V CA 2.574 64.899 62.300 0.042 0.000 1.066 347 V CB -0.273 31.546 31.823 -0.007 0.000 0.667 347 V HN 0.679 nan 8.190 nan 0.000 0.461 348 N N -0.197 118.467 118.700 -0.061 0.000 2.295 348 N HA 0.043 4.783 4.740 -0.000 0.000 0.221 348 N C 1.231 176.583 175.510 -0.264 0.000 1.129 348 N CA 0.728 53.650 53.050 -0.214 0.000 0.836 348 N CB -0.229 38.225 38.487 -0.054 0.000 1.040 348 N HN 0.912 nan 8.380 nan 0.000 0.494 349 H N -0.680 118.293 119.070 -0.161 0.000 2.518 349 H HA -0.028 4.528 4.556 -0.000 0.000 0.292 349 H C 1.242 176.474 175.328 -0.159 0.000 1.068 349 H CA 1.168 57.133 56.048 -0.139 0.000 1.275 349 H CB -0.092 29.592 29.762 -0.130 0.000 1.375 349 H HN 0.154 nan 8.280 nan 0.000 0.563 350 Q N -0.047 119.386 119.800 -0.613 0.000 2.482 350 Q HA -0.036 4.304 4.340 -0.000 0.000 0.209 350 Q C 0.846 176.722 176.000 -0.205 0.000 0.961 350 Q CA 0.210 55.778 55.803 -0.392 0.000 0.945 350 Q CB 0.197 28.695 28.738 -0.400 0.000 1.012 350 Q HN 0.719 nan 8.270 nan 0.000 0.515 351 H N -0.543 118.460 119.070 -0.111 0.000 2.551 351 H HA 0.119 4.675 4.556 -0.000 0.000 0.266 351 H C 0.256 175.542 175.328 -0.071 0.000 0.964 351 H CA 0.077 56.077 56.048 -0.080 0.000 1.180 351 H CB 0.121 29.839 29.762 -0.074 0.000 1.408 351 H HN 0.187 nan 8.280 nan 0.000 0.563 352 I N 3.164 123.746 120.570 0.021 0.000 2.587 352 I HA -0.044 4.126 4.170 -0.000 0.000 0.284 352 I C -1.093 174.991 176.117 -0.054 0.000 1.134 352 I CA -1.267 60.018 61.300 -0.025 0.000 1.410 352 I CB 0.901 38.864 38.000 -0.061 0.000 1.392 352 I HN -0.076 nan 8.210 nan 0.000 0.545 353 P HA -0.254 nan 4.420 nan 0.000 0.217 353 P C 1.750 178.990 177.300 -0.100 0.000 1.158 353 P CA 1.141 64.193 63.100 -0.079 0.000 0.887 353 P CB 0.176 31.826 31.700 -0.083 0.000 0.792 354 V N -0.383 119.447 119.914 -0.140 0.000 2.490 354 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 354 V C 1.655 177.675 176.094 -0.123 0.000 1.061 354 V CA 2.036 64.224 62.300 -0.186 0.000 1.064 354 V CB -0.955 30.579 31.823 -0.482 0.000 0.670 354 V HN 0.117 nan 8.190 nan 0.000 0.461 355 N N 0.563 119.182 118.700 -0.134 0.000 2.424 355 N HA 0.160 4.900 4.740 -0.000 0.000 0.178 355 N C 0.758 176.253 175.510 -0.025 0.000 1.060 355 N CA 0.780 53.762 53.050 -0.113 0.000 0.901 355 N CB -0.201 38.214 38.487 -0.120 0.000 0.979 355 N HN 0.516 nan 8.380 nan 0.000 0.451 356 A N 3.066 125.886 122.820 0.000 0.000 2.498 356 A HA 0.244 4.564 4.320 -0.000 0.000 0.239 356 A C -1.996 175.641 177.584 0.088 0.000 1.068 356 A CA -0.761 51.292 52.037 0.027 0.000 0.766 356 A CB -0.180 18.821 19.000 0.002 0.000 1.003 356 A HN 0.024 nan 8.150 nan 0.000 0.497 357 P HA 0.217 nan 4.420 nan 0.000 0.272 357 P C -0.545 176.796 177.300 0.069 0.000 1.230 357 P CA -0.120 63.056 63.100 0.126 0.000 0.788 357 P CB 0.557 32.311 31.700 0.090 0.000 0.949 358 R N 0.451 121.003 120.500 0.085 0.000 2.997 358 R HA 0.353 4.692 4.340 -0.000 0.000 0.358 358 R C -0.182 176.139 176.300 0.035 0.000 1.191 358 R CA -0.276 55.826 56.100 0.004 0.000 1.113 358 R CB -0.319 29.934 30.300 -0.077 0.000 1.433 358 R HN 0.635 nan 8.270 nan 0.000 0.584 359 C N -3.015 116.311 119.300 0.043 0.000 3.332 359 C HA 0.617 5.077 4.460 -0.000 0.000 0.329 359 C C -2.767 172.245 174.990 0.037 0.000 1.434 359 C CA -2.470 56.571 59.018 0.037 0.000 1.314 359 C CB 1.060 28.825 27.740 0.041 0.000 1.664 359 C HN 0.151 nan 8.230 nan 0.000 0.457 360 P HA 0.333 nan 4.420 nan 0.000 0.262 360 P C -0.802 176.542 177.300 0.072 0.000 1.182 360 P CA 0.300 63.426 63.100 0.044 0.000 0.761 360 P CB 0.464 32.180 31.700 0.027 0.000 0.795 361 V N 4.260 124.246 119.914 0.119 0.000 2.623 361 V HA 0.349 4.469 4.120 -0.000 0.000 0.304 361 V C -1.264 175.022 176.094 0.320 0.000 1.054 361 V CA -0.363 62.042 62.300 0.175 0.000 0.882 361 V CB 1.616 33.529 31.823 0.149 0.000 1.002 361 V HN 0.672 nan 8.190 nan 0.000 0.424 362 H N 4.714 123.904 119.070 0.200 0.000 2.651 362 H HA 0.265 4.821 4.556 -0.000 0.000 0.252 362 H C 0.473 175.960 175.328 0.265 0.000 1.365 362 H CA 0.462 56.690 56.048 0.301 0.000 1.539 362 H CB 1.395 31.272 29.762 0.191 0.000 1.621 362 H HN 0.759 nan 8.280 nan 0.000 0.526 363 S N 2.477 118.304 115.700 0.211 0.000 2.575 363 S HA -0.070 4.400 4.470 -0.000 0.000 0.215 363 S C 1.074 175.385 174.600 -0.482 0.000 0.966 363 S CA 0.383 58.547 58.200 -0.059 0.000 0.911 363 S CB -0.176 63.060 63.200 0.060 0.000 0.780 363 S HN 0.800 nan 8.310 nan 0.000 0.514 364 Y N 1.736 121.468 120.300 -0.947 0.000 2.865 364 Y HA -0.349 4.200 4.550 -0.000 0.000 0.480 364 Y C 0.146 175.532 175.900 -0.857 0.000 1.252 364 Y CA 1.686 58.790 58.100 -1.660 0.000 2.596 364 Y CB -1.972 35.690 38.460 -1.331 0.000 0.917 364 Y HN 0.576 nan 8.280 nan 0.000 0.522 365 H N 3.767 122.729 119.070 -0.179 0.000 2.928 365 H HA 0.444 5.000 4.556 -0.000 0.000 0.338 365 H C 0.255 175.545 175.328 -0.064 0.000 1.047 365 H CA 0.645 56.614 56.048 -0.132 0.000 1.435 365 H CB 0.344 30.112 29.762 0.009 0.000 1.428 365 H HN 0.207 nan 8.280 nan 0.000 0.590 366 R N 2.258 122.746 120.500 -0.021 0.000 2.778 366 R HA 0.203 4.543 4.340 -0.000 0.000 0.277 366 R C 0.370 176.688 176.300 0.029 0.000 0.977 366 R CA -0.709 55.395 56.100 0.008 0.000 0.950 366 R CB 1.022 31.274 30.300 -0.080 0.000 1.165 366 R HN 0.734 nan 8.270 nan 0.000 0.474 367 D N 0.073 120.496 120.400 0.038 0.000 3.497 367 D HA -0.213 4.427 4.640 -0.000 0.000 0.178 367 D C 0.412 176.730 176.300 0.030 0.000 1.185 367 D CA 1.943 55.960 54.000 0.028 0.000 1.091 367 D CB -1.124 39.687 40.800 0.019 0.000 0.574 367 D HN 0.861 nan 8.370 nan 0.000 0.650 368 G N -0.766 108.046 108.800 0.020 0.000 2.758 368 G HA2 0.388 4.348 3.960 -0.000 0.000 0.686 368 G HA3 0.388 4.348 3.960 -0.000 0.000 0.686 368 G C 0.090 175.000 174.900 0.017 0.000 1.389 368 G CA 0.519 45.629 45.100 0.015 0.000 0.845 368 G HN 1.537 nan 8.290 nan 0.000 0.572 369 A N 1.884 124.710 122.820 0.011 0.000 2.561 369 A HA 0.552 4.872 4.320 -0.000 0.000 0.234 369 A C 1.511 179.106 177.584 0.018 0.000 1.055 369 A CA 1.474 53.517 52.037 0.009 0.000 0.756 369 A CB -0.078 18.922 19.000 0.000 0.000 0.986 369 A HN 2.201 nan 8.150 nan 0.000 0.505 370 M N 0.393 120.003 119.600 0.017 0.000 2.350 370 M HA -0.137 4.343 4.480 -0.000 0.000 0.190 370 M C 0.131 176.455 176.300 0.040 0.000 0.710 370 M CA 0.689 56.004 55.300 0.024 0.000 0.495 370 M CB -1.579 31.036 32.600 0.026 0.000 1.136 370 M HN 0.851 nan 8.290 nan 0.000 0.901 371 R N 1.087 121.604 120.500 0.029 0.000 2.220 371 R HA 0.439 4.779 4.340 -0.000 0.000 0.340 371 R C 0.948 177.233 176.300 -0.024 0.000 1.076 371 R CA 0.185 56.300 56.100 0.026 0.000 0.920 371 R CB 0.374 30.682 30.300 0.014 0.000 1.062 371 R HN 0.351 nan 8.270 nan 0.000 0.469 372 V N 0.144 120.021 119.914 -0.060 0.000 3.605 372 V HA 0.220 4.340 4.120 -0.000 0.000 0.284 372 V C 0.673 176.664 176.094 -0.171 0.000 1.386 372 V CA 0.597 62.842 62.300 -0.092 0.000 1.053 372 V CB 0.545 32.334 31.823 -0.057 0.000 0.857 372 V HN 0.671 nan 8.190 nan 0.000 0.436 373 D N 0.746 120.969 120.400 -0.295 0.000 2.339 373 D HA 0.272 4.912 4.640 -0.000 0.000 0.217 373 D C 1.640 177.774 176.300 -0.276 0.000 1.050 373 D CA 0.806 54.585 54.000 -0.369 0.000 0.856 373 D CB 0.514 40.904 40.800 -0.683 0.000 0.922 373 D HN 0.843 nan 8.370 nan 0.000 0.518 374 G N 1.345 110.026 108.800 -0.198 0.000 2.213 374 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.236 374 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.236 374 G C 0.637 175.455 174.900 -0.136 0.000 0.991 374 G CA 0.162 45.180 45.100 -0.137 0.000 0.629 374 G HN 0.500 nan 8.290 nan 0.000 0.517 375 N N -1.134 117.423 118.700 -0.238 0.000 2.747 375 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 375 N C 0.758 176.254 175.510 -0.024 0.000 1.107 375 N CA 1.803 54.747 53.050 -0.176 0.000 0.707 375 N CB -1.825 36.642 38.487 -0.034 0.000 1.054 375 N HN 1.486 nan 8.380 nan 0.000 0.555 376 F N -3.504 116.484 119.950 0.063 0.000 3.006 376 F HA -0.243 4.284 4.527 -0.000 0.000 0.289 376 F C 1.808 177.650 175.800 0.070 0.000 0.772 376 F CA 1.662 59.726 58.000 0.106 0.000 1.162 376 F CB -1.704 37.429 39.000 0.222 0.000 1.382 376 F HN 0.574 nan 8.300 nan 0.000 0.406 377 G N 0.132 109.012 108.800 0.134 0.000 2.651 377 G HA2 -0.422 3.537 3.960 -0.000 0.000 0.315 377 G HA3 -0.422 3.537 3.960 -0.000 0.000 0.315 377 G C 0.880 175.845 174.900 0.109 0.000 1.258 377 G CA 0.698 45.853 45.100 0.091 0.000 1.002 377 G HN 0.668 nan 8.290 nan 0.000 0.551 378 S N 1.171 116.923 115.700 0.087 0.000 2.593 378 S HA 0.267 4.737 4.470 -0.000 0.000 0.217 378 S C 1.014 175.666 174.600 0.087 0.000 0.966 378 S CA 1.004 59.250 58.200 0.077 0.000 0.914 378 S CB 0.028 63.259 63.200 0.051 0.000 0.776 378 S HN 0.842 nan 8.310 nan 0.000 0.523 379 T N 4.901 119.522 114.554 0.112 0.000 2.908 379 T HA 0.158 4.508 4.350 -0.000 0.000 0.301 379 T C 0.395 175.170 174.700 0.125 0.000 1.019 379 T CA -0.378 61.770 62.100 0.081 0.000 1.152 379 T CB -0.157 68.758 68.868 0.079 0.000 0.966 379 T HN 0.227 nan 8.240 nan 0.000 0.540 380 L N 1.658 122.923 121.223 0.070 0.000 2.516 380 L HA 0.472 4.812 4.340 -0.000 0.000 0.288 380 L C 1.233 178.241 176.870 0.231 0.000 1.246 380 L CA 0.047 54.952 54.840 0.107 0.000 0.844 380 L CB -0.217 41.820 42.059 -0.037 0.000 1.106 380 L HN 0.609 nan 8.230 nan 0.000 0.509 381 G N 0.325 109.262 108.800 0.228 0.000 3.324 381 G HA2 0.233 4.193 3.960 -0.000 0.000 0.251 381 G HA3 0.233 4.193 3.960 -0.000 0.000 0.251 381 G C -0.198 174.809 174.900 0.179 0.000 1.072 381 G CA 0.191 45.365 45.100 0.124 0.000 0.787 381 G HN 0.802 nan 8.290 nan 0.000 0.537 382 Y N -1.429 119.019 120.300 0.247 0.000 2.509 382 Y HA 0.850 5.400 4.550 -0.000 0.000 0.341 382 Y C -0.673 175.407 175.900 0.300 0.000 1.038 382 Y CA -2.157 56.084 58.100 0.234 0.000 1.089 382 Y CB 1.850 40.395 38.460 0.142 0.000 1.241 382 Y HN -0.120 nan 8.280 nan 0.000 0.468 383 E N 2.970 123.356 120.200 0.310 0.000 2.321 383 E HA 0.333 4.683 4.350 -0.000 0.000 0.281 383 E C -2.893 173.813 176.600 0.177 0.000 0.910 383 E CA -1.888 54.633 56.400 0.201 0.000 0.770 383 E CB 2.078 31.885 29.700 0.177 0.000 1.225 383 E HN 0.814 nan 8.360 nan 0.000 0.417 384 P HA 0.208 nan 4.420 nan 0.000 0.266 384 P C -0.817 176.611 177.300 0.214 0.000 1.195 384 P CA -0.022 63.166 63.100 0.146 0.000 0.768 384 P CB 0.456 32.223 31.700 0.113 0.000 0.838 385 N N -0.409 118.349 118.700 0.096 0.000 2.647 385 N HA 0.260 5.000 4.740 -0.000 0.000 0.266 385 N C -0.250 175.281 175.510 0.035 0.000 1.373 385 N CA -0.832 52.249 53.050 0.051 0.000 0.807 385 N CB 0.683 38.947 38.487 -0.372 0.000 1.513 385 N HN 0.263 nan 8.380 nan 0.000 0.505 386 D N -1.206 119.225 120.400 0.053 0.000 2.325 386 D HA -0.010 4.630 4.640 -0.000 0.000 0.225 386 D C 0.139 176.433 176.300 -0.010 0.000 1.096 386 D CA 0.450 54.470 54.000 0.033 0.000 0.844 386 D CB -0.058 40.778 40.800 0.060 0.000 0.925 386 D HN 0.687 nan 8.370 nan 0.000 0.513 387 Q N -0.627 119.140 119.800 -0.054 0.000 2.217 387 Q HA 0.273 4.613 4.340 -0.000 0.000 0.217 387 Q C 1.035 176.977 176.000 -0.097 0.000 0.844 387 Q CA 0.213 55.967 55.803 -0.081 0.000 0.957 387 Q CB 0.914 29.580 28.738 -0.120 0.000 1.127 387 Q HN 0.360 nan 8.270 nan 0.000 0.503 388 G N 1.896 110.648 108.800 -0.080 0.000 2.168 388 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 388 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 388 G C 0.098 174.927 174.900 -0.119 0.000 0.997 388 G CA 0.401 45.457 45.100 -0.073 0.000 0.708 388 G HN 0.269 nan 8.290 nan 0.000 0.520 389 Q N -1.029 118.652 119.800 -0.199 0.000 2.340 389 Q HA 0.428 4.767 4.340 -0.000 0.000 0.249 389 Q C 0.805 176.664 176.000 -0.235 0.000 0.957 389 Q CA 0.128 55.693 55.803 -0.396 0.000 0.882 389 Q CB -0.001 28.358 28.738 -0.633 0.000 1.235 389 Q HN 0.708 nan 8.270 nan 0.000 0.439 390 W N 0.571 121.879 121.300 0.013 0.000 5.361 390 W HA -0.229 4.431 4.660 -0.000 0.000 0.385 390 W C -0.146 176.359 176.519 -0.024 0.000 1.458 390 W CA -0.085 57.244 57.345 -0.026 0.000 0.922 390 W CB -1.977 27.457 29.460 -0.044 0.000 2.606 390 W HN 0.664 nan 8.180 nan 0.000 1.450 391 A N 1.449 124.349 122.820 0.134 0.000 2.404 391 A HA 0.392 4.712 4.320 -0.000 0.000 0.273 391 A C 0.909 178.549 177.584 0.094 0.000 1.144 391 A CA 0.090 52.177 52.037 0.083 0.000 0.806 391 A CB 0.214 19.236 19.000 0.037 0.000 1.080 391 A HN 0.442 nan 8.150 nan 0.000 0.509 392 E N 2.642 122.886 120.200 0.073 0.000 2.409 392 E HA 0.144 4.494 4.350 -0.000 0.000 0.257 392 E C -0.787 175.865 176.600 0.086 0.000 1.150 392 E CA -0.196 56.245 56.400 0.068 0.000 0.942 392 E CB 0.398 30.125 29.700 0.045 0.000 0.979 392 E HN 0.653 nan 8.360 nan 0.000 0.447 393 Q N 1.203 121.074 119.800 0.117 0.000 2.788 393 Q HA 0.186 4.526 4.340 -0.000 0.000 0.261 393 Q C -1.937 174.169 176.000 0.176 0.000 1.029 393 Q CA -1.808 54.105 55.803 0.183 0.000 0.848 393 Q CB 1.438 30.369 28.738 0.323 0.000 1.185 393 Q HN 0.517 nan 8.270 nan 0.000 0.482 394 P HA -0.152 nan 4.420 nan 0.000 0.222 394 P C 0.221 177.530 177.300 0.015 0.000 1.147 394 P CA 0.917 64.049 63.100 0.054 0.000 0.790 394 P CB 0.455 32.170 31.700 0.026 0.000 0.780 395 D N -0.588 119.785 120.400 -0.045 0.000 2.221 395 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 395 D C 1.122 177.252 176.300 -0.283 0.000 0.982 395 D CA 0.949 54.825 54.000 -0.206 0.000 0.857 395 D CB -0.666 39.924 40.800 -0.351 0.000 0.934 395 D HN 0.267 nan 8.370 nan 0.000 0.475 396 F N 0.312 120.258 119.950 -0.006 0.000 2.692 396 F HA 0.141 4.668 4.527 -0.000 0.000 0.303 396 F C 1.210 177.005 175.800 -0.009 0.000 1.114 396 F CA -0.253 57.741 58.000 -0.010 0.000 1.361 396 F CB -0.023 38.972 39.000 -0.008 0.000 1.063 396 F HN -0.314 nan 8.300 nan 0.000 0.550 397 S N 1.125 116.892 115.700 0.111 0.000 2.537 397 S HA 0.038 4.508 4.470 -0.000 0.000 0.286 397 S C 0.346 174.976 174.600 0.049 0.000 1.299 397 S CA -0.414 57.830 58.200 0.073 0.000 1.067 397 S CB 0.214 63.439 63.200 0.042 0.000 0.864 397 S HN 0.331 nan 8.310 nan 0.000 0.494 398 E N 4.445 124.673 120.200 0.046 0.000 2.373 398 E HA 0.298 4.648 4.350 -0.000 0.000 0.263 398 E C -1.966 174.643 176.600 0.015 0.000 1.073 398 E CA -1.740 54.675 56.400 0.026 0.000 0.894 398 E CB 0.331 30.044 29.700 0.022 0.000 1.008 398 E HN 0.551 nan 8.360 nan 0.000 0.420 399 P HA 0.156 nan 4.420 nan 0.000 0.274 399 P C -2.505 174.796 177.300 0.000 0.000 1.231 399 P CA -1.156 61.939 63.100 -0.008 0.000 0.790 399 P CB -0.269 31.414 31.700 -0.030 0.000 0.951 400 P HA 0.160 nan 4.420 nan 0.000 0.269 400 P C -0.729 176.580 177.300 0.016 0.000 1.217 400 P CA -0.070 63.039 63.100 0.015 0.000 0.783 400 P CB 0.215 31.922 31.700 0.012 0.000 0.898 401 L N 1.878 123.122 121.223 0.035 0.000 2.325 401 L HA 0.362 4.702 4.340 -0.000 0.000 0.281 401 L C -0.378 176.522 176.870 0.049 0.000 1.004 401 L CA -0.337 54.535 54.840 0.054 0.000 0.823 401 L CB 0.626 42.742 42.059 0.094 0.000 1.236 401 L HN 0.273 nan 8.230 nan 0.000 0.415 402 N N 4.091 122.820 118.700 0.048 0.000 2.479 402 N HA 0.403 5.142 4.740 -0.000 0.000 0.257 402 N C -1.148 174.384 175.510 0.038 0.000 1.232 402 N CA -0.331 52.741 53.050 0.037 0.000 0.920 402 N CB 0.595 39.101 38.487 0.032 0.000 1.105 402 N HN 0.322 nan 8.380 nan 0.000 0.444 403 L N 1.265 122.501 121.223 0.022 0.000 2.354 403 L HA 0.478 4.818 4.340 -0.000 0.000 0.264 403 L C -0.728 176.141 176.870 -0.001 0.000 1.008 403 L CA -0.449 54.397 54.840 0.009 0.000 0.819 403 L CB 1.877 43.944 42.059 0.013 0.000 1.339 403 L HN 0.564 nan 8.230 nan 0.000 0.420 404 D N 0.562 120.949 120.400 -0.023 0.000 2.970 404 D HA 0.655 5.295 4.640 -0.000 0.000 0.230 404 D C -0.378 175.886 176.300 -0.060 0.000 1.276 404 D CA 0.619 54.600 54.000 -0.033 0.000 0.910 404 D CB 1.748 42.522 40.800 -0.043 0.000 1.590 404 D HN 0.870 nan 8.370 nan 0.000 0.551 405 G N 1.299 110.095 108.800 -0.006 0.000 2.555 405 G HA2 0.495 4.454 3.960 -0.000 0.000 0.686 405 G HA3 0.495 4.454 3.960 -0.000 0.000 0.686 405 G C -0.425 174.583 174.900 0.180 0.000 1.275 405 G CA -0.408 44.721 45.100 0.048 0.000 0.871 405 G HN 0.840 nan 8.290 nan 0.000 0.603 406 A N -0.021 123.016 122.820 0.362 0.000 2.351 406 A HA 0.883 5.203 4.320 -0.000 0.000 0.257 406 A C 1.167 178.963 177.584 0.352 0.000 1.087 406 A CA 1.024 53.240 52.037 0.299 0.000 0.798 406 A CB 0.445 19.586 19.000 0.235 0.000 1.033 406 A HN 2.582 nan 8.150 nan 0.000 0.488 407 A N 0.642 123.563 122.820 0.169 0.000 2.515 407 A HA 0.533 4.853 4.320 -0.000 0.000 0.263 407 A C 0.523 178.102 177.584 -0.009 0.000 1.096 407 A CA 0.739 52.836 52.037 0.100 0.000 0.769 407 A CB -0.937 18.082 19.000 0.031 0.000 1.040 407 A HN 2.403 nan 8.150 nan 0.000 0.505 408 A N 2.842 125.603 122.820 -0.097 0.000 2.586 408 A HA 0.628 4.948 4.320 -0.000 0.000 0.290 408 A C -0.698 176.647 177.584 -0.399 0.000 1.086 408 A CA -0.749 51.046 52.037 -0.403 0.000 0.665 408 A CB 0.583 19.006 19.000 -0.962 0.000 1.279 408 A HN 0.812 nan 8.150 nan 0.000 0.423 409 H N 0.567 119.463 119.070 -0.290 0.000 2.882 409 H HA 0.162 4.718 4.556 -0.000 0.000 0.258 409 H C -1.109 174.141 175.328 -0.129 0.000 1.579 409 H CA 0.171 56.149 56.048 -0.116 0.000 1.340 409 H CB 0.018 29.738 29.762 -0.070 0.000 1.645 409 H HN 0.545 nan 8.280 nan 0.000 0.541 410 W N 2.186 123.541 121.300 0.091 0.000 2.303 410 W HA -0.020 4.640 4.660 -0.000 0.000 0.318 410 W C 0.821 177.393 176.519 0.089 0.000 1.362 410 W CA -0.361 57.029 57.345 0.075 0.000 1.234 410 W CB 0.320 29.810 29.460 0.050 0.000 1.248 410 W HN 0.443 nan 8.180 nan 0.000 0.546 411 D N 2.918 123.487 120.400 0.282 0.000 2.346 411 D HA -0.074 4.566 4.640 -0.000 0.000 0.260 411 D C 1.352 177.740 176.300 0.147 0.000 1.252 411 D CA 0.105 54.190 54.000 0.141 0.000 0.895 411 D CB 0.456 41.297 40.800 0.069 0.000 1.097 411 D HN 0.549 nan 8.370 nan 0.000 0.489 412 H N 3.184 122.354 119.070 0.168 0.000 2.518 412 H HA 0.025 4.581 4.556 -0.000 0.000 0.289 412 H C 1.061 176.461 175.328 0.120 0.000 1.051 412 H CA 1.067 57.199 56.048 0.140 0.000 1.280 412 H CB 0.014 29.860 29.762 0.140 0.000 1.380 412 H HN 0.297 nan 8.280 nan 0.000 0.566 413 R N 0.637 121.013 120.500 -0.207 0.000 2.323 413 R HA -0.036 4.304 4.340 -0.000 0.000 0.198 413 R C 1.562 177.871 176.300 0.015 0.000 0.988 413 R CA 0.669 56.746 56.100 -0.039 0.000 1.041 413 R CB -0.069 30.196 30.300 -0.057 0.000 0.926 413 R HN 0.602 nan 8.270 nan 0.000 0.476 414 E N 1.397 121.618 120.200 0.034 0.000 2.153 414 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 414 E C 0.054 176.648 176.600 -0.010 0.000 0.988 414 E CA 0.800 57.220 56.400 0.034 0.000 0.811 414 E CB 0.156 29.897 29.700 0.069 0.000 0.746 414 E HN 0.065 nan 8.360 nan 0.000 0.466 415 D N 0.667 121.055 120.400 -0.021 0.000 2.411 415 D HA 0.021 4.661 4.640 -0.000 0.000 0.225 415 D C -0.354 175.751 176.300 -0.325 0.000 1.156 415 D CA 0.089 54.026 54.000 -0.104 0.000 0.874 415 D CB 0.817 41.589 40.800 -0.046 0.000 1.034 415 D HN 0.086 nan 8.370 nan 0.000 0.502 416 E N 2.069 122.035 120.200 -0.391 0.000 2.419 416 E HA -0.014 4.336 4.350 -0.000 0.000 0.190 416 E C -0.293 175.831 176.600 -0.794 0.000 1.040 416 E CA -0.204 55.743 56.400 -0.756 0.000 0.900 416 E CB 0.462 30.007 29.700 -0.257 0.000 1.054 416 E HN 0.319 nan 8.360 nan 0.000 0.462 417 D N 0.211 120.295 120.400 -0.527 0.000 2.455 417 D HA -0.035 4.605 4.640 -0.000 0.000 0.234 417 D C -0.119 175.925 176.300 -0.426 0.000 1.224 417 D CA 0.045 53.848 54.000 -0.328 0.000 0.999 417 D CB -0.062 40.658 40.800 -0.133 0.000 1.072 417 D HN 0.086 nan 8.370 nan 0.000 0.514 418 Y N 1.519 121.550 120.300 -0.449 0.000 2.481 418 Y HA 0.168 4.718 4.550 -0.000 0.000 0.258 418 Y C 1.072 176.580 175.900 -0.655 0.000 1.103 418 Y CA -0.039 57.625 58.100 -0.728 0.000 1.287 418 Y CB 0.088 37.726 38.460 -1.369 0.000 1.108 418 Y HN 0.280 nan 8.280 nan 0.000 0.529 419 F N -1.932 118.092 119.950 0.122 0.000 2.740 419 F HA 0.109 4.636 4.527 -0.000 0.000 0.304 419 F C 2.340 178.159 175.800 0.031 0.000 1.098 419 F CA 0.267 58.313 58.000 0.076 0.000 1.258 419 F CB -0.712 38.343 39.000 0.091 0.000 1.061 419 F HN -0.079 nan 8.300 nan 0.000 0.598 420 S N 0.335 116.125 115.700 0.149 0.000 2.356 420 S HA -0.224 4.246 4.470 -0.000 0.000 0.223 420 S C 1.794 176.404 174.600 0.017 0.000 1.032 420 S CA 1.357 59.609 58.200 0.087 0.000 1.005 420 S CB -0.673 62.565 63.200 0.064 0.000 0.867 420 S HN 0.483 nan 8.310 nan 0.000 0.449 421 Q N 1.350 121.108 119.800 -0.069 0.000 2.083 421 Q HA 0.045 4.385 4.340 -0.000 0.000 0.198 421 Q C -0.413 175.363 176.000 -0.373 0.000 0.969 421 Q CA 1.268 56.935 55.803 -0.226 0.000 0.838 421 Q CB -1.240 27.323 28.738 -0.292 0.000 0.900 421 Q HN 0.509 nan 8.270 nan 0.000 0.436 422 P HA -0.157 nan 4.420 nan 0.000 0.215 422 P C 1.322 178.675 177.300 0.088 0.000 1.153 422 P CA 1.882 64.921 63.100 -0.103 0.000 0.853 422 P CB -0.382 31.394 31.700 0.126 0.000 0.788 423 G N -0.015 108.860 108.800 0.126 0.000 2.446 423 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 423 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 423 G C 1.252 176.242 174.900 0.150 0.000 1.168 423 G CA 1.024 46.233 45.100 0.182 0.000 0.771 423 G HN 0.172 nan 8.290 nan 0.000 0.551 424 D N 0.218 120.650 120.400 0.053 0.000 2.092 424 D HA -0.124 4.515 4.640 -0.000 0.000 0.193 424 D C 2.411 178.715 176.300 0.007 0.000 0.994 424 D CA 0.877 54.888 54.000 0.019 0.000 0.828 424 D CB -0.524 40.264 40.800 -0.021 0.000 0.963 424 D HN 0.238 nan 8.370 nan 0.000 0.450 425 L N 0.119 121.336 121.223 -0.009 0.000 2.012 425 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 425 L C 2.212 179.076 176.870 -0.011 0.000 1.073 425 L CA 1.468 56.305 54.840 -0.005 0.000 0.748 425 L CB -0.754 41.318 42.059 0.022 0.000 0.891 425 L HN -0.012 nan 8.230 nan 0.000 0.431 426 F N 0.350 120.227 119.950 -0.122 0.000 2.126 426 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 426 F C 2.144 177.878 175.800 -0.111 0.000 1.096 426 F CA 1.689 59.573 58.000 -0.194 0.000 1.255 426 F CB -0.944 37.898 39.000 -0.263 0.000 0.997 426 F HN 0.123 nan 8.300 nan 0.000 0.479 427 G N 0.510 109.268 108.800 -0.071 0.000 2.448 427 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 427 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 427 G C 1.618 176.405 174.900 -0.189 0.000 1.127 427 G CA 1.020 46.038 45.100 -0.137 0.000 0.766 427 G HN 0.459 nan 8.290 nan 0.000 0.552 428 L N -0.178 120.952 121.223 -0.155 0.000 2.492 428 L HA 0.285 4.624 4.340 -0.000 0.000 0.223 428 L C 1.386 178.154 176.870 -0.169 0.000 1.132 428 L CA -0.246 54.516 54.840 -0.130 0.000 0.850 428 L CB -0.157 41.852 42.059 -0.084 0.000 0.966 428 L HN 0.186 nan 8.230 nan 0.000 0.454 429 M N 0.536 119.979 119.600 -0.262 0.000 2.238 429 M HA 0.076 4.556 4.480 -0.000 0.000 0.347 429 M C 0.938 177.078 176.300 -0.267 0.000 1.173 429 M CA 0.016 55.154 55.300 -0.270 0.000 1.147 429 M CB 0.918 33.301 32.600 -0.362 0.000 1.547 429 M HN 0.135 nan 8.290 nan 0.000 0.455 430 T N 0.189 114.633 114.554 -0.184 0.000 2.748 430 T HA 0.257 4.606 4.350 -0.000 0.000 0.304 430 T C 1.218 175.815 174.700 -0.172 0.000 1.041 430 T CA -0.291 61.721 62.100 -0.147 0.000 1.033 430 T CB 0.756 69.566 68.868 -0.096 0.000 0.995 430 T HN 0.724 nan 8.240 nan 0.000 0.536 431 A N 0.399 123.149 122.820 -0.117 0.000 1.940 431 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 431 A C 2.299 179.832 177.584 -0.085 0.000 1.176 431 A CA 2.135 54.122 52.037 -0.084 0.000 0.631 431 A CB -1.231 17.753 19.000 -0.026 0.000 0.814 431 A HN 1.066 nan 8.150 nan 0.000 0.446 432 E N 0.268 120.423 120.200 -0.075 0.000 2.051 432 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 432 E C 1.927 178.467 176.600 -0.100 0.000 0.991 432 E CA 1.951 58.313 56.400 -0.064 0.000 0.799 432 E CB -0.220 29.452 29.700 -0.047 0.000 0.748 432 E HN 0.606 nan 8.360 nan 0.000 0.449 433 K N -0.175 120.147 120.400 -0.130 0.000 2.155 433 K HA -0.107 4.213 4.320 -0.000 0.000 0.203 433 K C 2.428 178.876 176.600 -0.252 0.000 1.052 433 K CA 1.346 57.542 56.287 -0.153 0.000 0.948 433 K CB -0.080 32.339 32.500 -0.136 0.000 0.728 433 K HN 0.289 nan 8.250 nan 0.000 0.448 434 Q N 0.402 119.993 119.800 -0.349 0.000 2.084 434 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 434 Q C 2.249 177.694 176.000 -0.925 0.000 0.978 434 Q CA 1.472 56.906 55.803 -0.614 0.000 0.844 434 Q CB -0.239 28.191 28.738 -0.514 0.000 0.898 434 Q HN 0.323 nan 8.270 nan 0.000 0.426 435 A N 1.148 123.719 122.820 -0.416 0.000 1.908 435 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 435 A C 2.065 179.589 177.584 -0.100 0.000 1.181 435 A CA 1.253 53.208 52.037 -0.136 0.000 0.627 435 A CB -0.699 18.313 19.000 0.020 0.000 0.818 435 A HN 0.309 nan 8.150 nan 0.000 0.445 436 I N -0.599 119.900 120.570 -0.118 0.000 2.226 436 I HA -0.251 3.918 4.170 -0.000 0.000 0.245 436 I C 2.527 178.623 176.117 -0.035 0.000 1.100 436 I CA 1.154 62.426 61.300 -0.048 0.000 1.374 436 I CB -0.301 37.672 38.000 -0.045 0.000 1.057 436 I HN 0.375 nan 8.210 nan 0.000 0.413 437 L N 0.409 121.551 121.223 -0.134 0.000 2.012 437 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 437 L C 2.634 179.572 176.870 0.114 0.000 1.073 437 L CA 2.012 56.818 54.840 -0.056 0.000 0.748 437 L CB -0.382 41.562 42.059 -0.192 0.000 0.891 437 L HN 0.162 nan 8.230 nan 0.000 0.431 438 F N -0.022 120.025 119.950 0.161 0.000 2.102 438 F HA -0.294 4.233 4.527 -0.000 0.000 0.298 438 F C 2.398 178.258 175.800 0.100 0.000 1.105 438 F CA 1.040 59.129 58.000 0.150 0.000 1.239 438 F CB -0.431 38.644 39.000 0.125 0.000 0.991 438 F HN 0.242 nan 8.300 nan 0.000 0.474 439 D N 0.522 121.075 120.400 0.255 0.000 2.087 439 D HA -0.199 4.441 4.640 -0.000 0.000 0.192 439 D C 1.659 178.037 176.300 0.131 0.000 0.993 439 D CA 1.961 56.053 54.000 0.153 0.000 0.828 439 D CB -0.488 40.377 40.800 0.109 0.000 0.968 439 D HN 0.204 nan 8.370 nan 0.000 0.448 440 N N -1.200 117.580 118.700 0.134 0.000 2.091 440 N HA -0.166 4.573 4.740 -0.000 0.000 0.193 440 N C 1.636 177.259 175.510 0.188 0.000 1.021 440 N CA 1.708 54.848 53.050 0.149 0.000 0.862 440 N CB -0.126 38.452 38.487 0.151 0.000 1.018 440 N HN 0.209 nan 8.380 nan 0.000 0.429 441 T N 0.483 115.170 114.554 0.222 0.000 2.737 441 T HA -0.037 4.313 4.350 -0.000 0.000 0.265 441 T C 2.094 176.826 174.700 0.053 0.000 1.038 441 T CA 1.123 63.356 62.100 0.222 0.000 1.144 441 T CB -0.316 68.752 68.868 0.335 0.000 0.866 441 T HN 0.330 nan 8.240 nan 0.000 0.434 442 A N 1.733 124.589 122.820 0.059 0.000 1.902 442 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 442 A C 2.381 179.937 177.584 -0.047 0.000 1.181 442 A CA 1.330 53.347 52.037 -0.033 0.000 0.623 442 A CB -0.450 18.540 19.000 -0.016 0.000 0.818 442 A HN 0.373 nan 8.150 nan 0.000 0.443 443 R N -0.674 119.834 120.500 0.014 0.000 2.090 443 R HA -0.042 4.298 4.340 -0.000 0.000 0.228 443 R C 2.063 178.383 176.300 0.034 0.000 1.110 443 R CA 1.037 57.150 56.100 0.020 0.000 0.973 443 R CB -0.332 29.996 30.300 0.047 0.000 0.869 443 R HN 0.582 nan 8.270 nan 0.000 0.440 444 N N 0.900 119.649 118.700 0.081 0.000 2.223 444 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 444 N C 1.441 176.953 175.510 0.003 0.000 1.016 444 N CA 0.897 54.051 53.050 0.174 0.000 0.863 444 N CB 0.135 38.877 38.487 0.424 0.000 0.983 444 N HN 0.203 nan 8.380 nan 0.000 0.429 445 L N 0.669 121.739 121.223 -0.256 0.000 2.599 445 L HA 0.045 4.385 4.340 -0.000 0.000 0.230 445 L C 0.902 177.649 176.870 -0.206 0.000 1.141 445 L CA -0.137 54.433 54.840 -0.450 0.000 0.877 445 L CB -0.366 41.371 42.059 -0.537 0.000 1.009 445 L HN 0.127 nan 8.230 nan 0.000 0.447 446 N N 0.751 119.388 118.700 -0.104 0.000 2.454 446 N HA -0.035 4.705 4.740 -0.000 0.000 0.260 446 N C 1.117 176.603 175.510 -0.039 0.000 1.218 446 N CA 1.226 54.239 53.050 -0.062 0.000 0.904 446 N CB 0.907 39.375 38.487 -0.031 0.000 1.065 446 N HN 0.308 nan 8.380 nan 0.000 0.462 447 G N 2.019 110.798 108.800 -0.034 0.000 2.205 447 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.261 447 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.261 447 G C 0.095 174.990 174.900 -0.009 0.000 0.980 447 G CA 0.296 45.387 45.100 -0.015 0.000 0.632 447 G HN 0.557 nan 8.290 nan 0.000 0.533 448 V N 2.762 122.661 119.914 -0.026 0.000 2.555 448 V HA 0.372 4.492 4.120 -0.000 0.000 0.286 448 V C -1.253 174.844 176.094 0.005 0.000 1.044 448 V CA -1.172 61.122 62.300 -0.010 0.000 1.026 448 V CB 1.091 32.880 31.823 -0.056 0.000 0.981 448 V HN 0.141 nan 8.190 nan 0.000 0.480 449 P HA -0.065 nan 4.420 nan 0.000 0.263 449 P C 0.805 178.125 177.300 0.034 0.000 1.168 449 P CA 0.343 63.458 63.100 0.025 0.000 0.759 449 P CB 0.461 32.175 31.700 0.024 0.000 0.782 450 K N 4.416 124.844 120.400 0.046 0.000 2.044 450 K HA -0.249 4.071 4.320 -0.000 0.000 0.210 450 K C 1.764 178.356 176.600 -0.013 0.000 1.049 450 K CA 1.753 58.084 56.287 0.073 0.000 0.927 450 K CB -0.139 32.407 32.500 0.077 0.000 0.713 450 K HN 0.525 nan 8.250 nan 0.000 0.443 451 E N 1.079 121.259 120.200 -0.034 0.000 2.160 451 E HA -0.230 4.119 4.350 -0.000 0.000 0.195 451 E C 1.961 178.537 176.600 -0.039 0.000 0.991 451 E CA 1.526 57.889 56.400 -0.061 0.000 0.810 451 E CB -0.481 29.195 29.700 -0.040 0.000 0.742 451 E HN 0.540 nan 8.360 nan 0.000 0.466 452 I N 0.994 121.568 120.570 0.006 0.000 2.233 452 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 452 I C 2.910 179.056 176.117 0.050 0.000 1.093 452 I CA 1.059 62.388 61.300 0.048 0.000 1.380 452 I CB -0.308 37.745 38.000 0.088 0.000 1.067 452 I HN 0.046 nan 8.210 nan 0.000 0.413 453 Q N 0.189 120.007 119.800 0.030 0.000 2.077 453 Q HA -0.259 4.081 4.340 -0.000 0.000 0.206 453 Q C 2.271 178.293 176.000 0.036 0.000 0.989 453 Q CA 1.542 57.375 55.803 0.050 0.000 0.853 453 Q CB -0.211 28.636 28.738 0.182 0.000 0.907 453 Q HN 0.330 nan 8.270 nan 0.000 0.418 454 L N 0.670 121.825 121.223 -0.114 0.000 2.093 454 L HA -0.142 4.197 4.340 -0.000 0.000 0.208 454 L C 2.229 178.971 176.870 -0.214 0.000 1.085 454 L CA 1.568 56.231 54.840 -0.295 0.000 0.755 454 L CB -0.491 41.320 42.059 -0.413 0.000 0.904 454 L HN 0.116 nan 8.230 nan 0.000 0.435 455 R N -1.396 119.011 120.500 -0.155 0.000 2.091 455 R HA -0.233 4.107 4.340 -0.000 0.000 0.238 455 R C 2.224 178.341 176.300 -0.304 0.000 1.136 455 R CA 1.718 57.680 56.100 -0.230 0.000 0.959 455 R CB -0.621 29.620 30.300 -0.098 0.000 0.856 455 R HN 0.475 nan 8.270 nan 0.000 0.437 456 H N 0.351 119.341 119.070 -0.134 0.000 2.333 456 H HA -0.005 4.551 4.556 -0.000 0.000 0.302 456 H C 1.992 177.252 175.328 -0.113 0.000 1.075 456 H CA 1.466 57.509 56.048 -0.008 0.000 1.348 456 H CB -0.124 29.707 29.762 0.115 0.000 1.393 456 H HN -0.130 nan 8.280 nan 0.000 0.509 457 V N 0.126 119.893 119.914 -0.245 0.000 2.282 457 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 457 V C 2.396 178.267 176.094 -0.370 0.000 1.057 457 V CA 2.346 64.403 62.300 -0.405 0.000 1.032 457 V CB -1.007 30.560 31.823 -0.428 0.000 0.645 457 V HN 0.554 nan 8.190 nan 0.000 0.447 458 T N -1.156 113.231 114.554 -0.279 0.000 2.684 458 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 458 T C 1.836 176.413 174.700 -0.204 0.000 1.036 458 T CA 1.906 63.886 62.100 -0.200 0.000 1.148 458 T CB -0.427 68.302 68.868 -0.233 0.000 0.863 458 T HN 0.526 nan 8.240 nan 0.000 0.436 459 H N 0.417 119.352 119.070 -0.226 0.000 2.319 459 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 459 H C 2.736 177.826 175.328 -0.395 0.000 1.092 459 H CA 0.732 56.621 56.048 -0.265 0.000 1.302 459 H CB -1.114 28.681 29.762 0.056 0.000 1.373 459 H HN 0.394 nan 8.280 nan 0.000 0.497 460 C N 0.331 119.374 119.300 -0.429 0.000 2.413 460 C HA -0.185 4.274 4.460 -0.000 0.000 0.276 460 C C 2.657 177.357 174.990 -0.483 0.000 1.248 460 C CA 0.814 59.343 59.018 -0.814 0.000 1.742 460 C CB -1.379 25.577 27.740 -1.307 0.000 2.017 460 C HN 0.560 nan 8.230 nan 0.000 0.481 461 Y N 1.870 121.937 120.300 -0.388 0.000 2.224 461 Y HA -0.184 4.366 4.550 -0.000 0.000 0.289 461 Y C 2.353 178.134 175.900 -0.198 0.000 1.146 461 Y CA 1.714 59.695 58.100 -0.198 0.000 1.182 461 Y CB -0.247 38.191 38.460 -0.036 0.000 0.983 461 Y HN 0.293 nan 8.280 nan 0.000 0.524 462 K N -0.437 119.855 120.400 -0.180 0.000 2.217 462 K HA -0.031 4.288 4.320 -0.000 0.000 0.202 462 K C 2.246 178.720 176.600 -0.210 0.000 1.051 462 K CA 0.690 56.779 56.287 -0.330 0.000 0.952 462 K CB -0.153 31.826 32.500 -0.868 0.000 0.736 462 K HN 0.364 nan 8.250 nan 0.000 0.453 463 A N 1.189 123.931 122.820 -0.130 0.000 1.855 463 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 463 A C 0.769 178.378 177.584 0.042 0.000 1.191 463 A CA 1.213 53.303 52.037 0.088 0.000 0.613 463 A CB 0.125 19.245 19.000 0.201 0.000 0.829 463 A HN 0.263 nan 8.150 nan 0.000 0.442 464 D N -3.381 116.977 120.400 -0.069 0.000 2.871 464 D HA 0.265 4.904 4.640 -0.000 0.000 0.209 464 D C -2.668 173.461 176.300 -0.284 0.000 1.292 464 D CA -1.214 52.724 54.000 -0.103 0.000 0.869 464 D CB 1.548 42.379 40.800 0.051 0.000 1.663 464 D HN -0.190 nan 8.370 nan 0.000 0.557 465 P HA -0.079 nan 4.420 nan 0.000 0.218 465 P C 1.047 178.243 177.300 -0.173 0.000 1.148 465 P CA 1.415 64.121 63.100 -0.657 0.000 0.822 465 P CB 0.278 31.603 31.700 -0.624 0.000 0.784 466 A N -1.775 121.027 122.820 -0.031 0.000 2.015 466 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 466 A C 2.167 179.787 177.584 0.060 0.000 1.163 466 A CA 1.082 53.194 52.037 0.124 0.000 0.646 466 A CB -1.629 17.589 19.000 0.364 0.000 0.806 466 A HN 0.128 nan 8.150 nan 0.000 0.448 467 Y N 0.738 120.730 120.300 -0.513 0.000 2.206 467 Y HA 0.042 4.592 4.550 -0.000 0.000 0.292 467 Y C 2.395 178.114 175.900 -0.301 0.000 1.123 467 Y CA 0.962 58.653 58.100 -0.682 0.000 1.142 467 Y CB -1.107 36.578 38.460 -1.291 0.000 1.006 467 Y HN 0.218 nan 8.280 nan 0.000 0.518 468 G N -0.128 108.551 108.800 -0.202 0.000 2.421 468 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.216 468 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.216 468 G C 1.632 176.424 174.900 -0.181 0.000 1.171 468 G CA 0.918 45.904 45.100 -0.190 0.000 0.775 468 G HN 0.511 nan 8.290 nan 0.000 0.543 469 E N 0.176 120.403 120.200 0.045 0.000 2.150 469 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 469 E C 2.623 179.084 176.600 -0.232 0.000 0.985 469 E CA 0.857 57.301 56.400 0.074 0.000 0.814 469 E CB -0.494 29.303 29.700 0.162 0.000 0.752 469 E HN 0.316 nan 8.360 nan 0.000 0.466 470 G N 0.884 109.334 108.800 -0.583 0.000 2.450 470 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 470 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 470 G C 1.492 175.895 174.900 -0.828 0.000 1.130 470 G CA 1.001 45.292 45.100 -1.347 0.000 0.760 470 G HN 0.275 nan 8.290 nan 0.000 0.557 471 I N 0.575 120.865 120.570 -0.468 0.000 2.731 471 I HA 0.128 4.298 4.170 -0.000 0.000 0.260 471 I C 3.007 178.967 176.117 -0.261 0.000 1.138 471 I CA 0.614 61.789 61.300 -0.208 0.000 1.461 471 I CB -0.306 37.643 38.000 -0.086 0.000 1.128 471 I HN 0.167 nan 8.210 nan 0.000 0.438 472 G N 1.438 110.039 108.800 -0.332 0.000 2.440 472 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 472 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 472 G C 1.714 176.531 174.900 -0.139 0.000 1.154 472 G CA 0.760 45.698 45.100 -0.271 0.000 0.767 472 G HN 0.280 nan 8.290 nan 0.000 0.552 473 K N -0.157 120.179 120.400 -0.107 0.000 2.032 473 K HA 0.056 4.376 4.320 -0.000 0.000 0.209 473 K C 2.478 178.995 176.600 -0.138 0.000 1.048 473 K CA 0.915 57.151 56.287 -0.084 0.000 0.927 473 K CB -0.314 32.142 32.500 -0.074 0.000 0.712 473 K HN 0.259 nan 8.250 nan 0.000 0.441 474 L N 0.695 121.820 121.223 -0.163 0.000 2.191 474 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 474 L C 1.841 178.567 176.870 -0.240 0.000 1.103 474 L CA 0.838 55.590 54.840 -0.147 0.000 0.769 474 L CB -0.199 41.807 42.059 -0.088 0.000 0.908 474 L HN 0.199 nan 8.230 nan 0.000 0.438 475 L N -0.667 120.308 121.223 -0.414 0.000 2.607 475 L HA 0.221 4.561 4.340 -0.000 0.000 0.228 475 L C 1.312 177.696 176.870 -0.809 0.000 1.123 475 L CA 0.344 54.762 54.840 -0.702 0.000 0.890 475 L CB -0.110 41.288 42.059 -1.101 0.000 1.103 475 L HN 0.421 nan 8.230 nan 0.000 0.468 476 G N 0.372 108.900 108.800 -0.454 0.000 2.147 476 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 476 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 476 G C 0.118 174.976 174.900 -0.070 0.000 1.005 476 G CA -0.270 44.696 45.100 -0.223 0.000 0.713 476 G HN 0.277 nan 8.290 nan 0.000 0.515 477 F N 0.293 120.253 119.950 0.016 0.000 2.384 477 F HA 0.420 4.947 4.527 -0.000 0.000 0.338 477 F C 0.933 176.803 175.800 0.116 0.000 1.103 477 F CA -0.869 57.175 58.000 0.074 0.000 1.157 477 F CB 0.873 39.944 39.000 0.118 0.000 1.167 477 F HN 0.089 nan 8.300 nan 0.000 0.529 478 D N 2.191 122.745 120.400 0.257 0.000 2.345 478 D HA 0.058 4.698 4.640 -0.000 0.000 0.247 478 D C 1.017 177.293 176.300 -0.039 0.000 1.108 478 D CA -0.024 54.030 54.000 0.089 0.000 0.894 478 D CB 1.037 41.842 40.800 0.010 0.000 1.203 478 D HN 0.547 nan 8.370 nan 0.000 0.430 479 I N 2.337 122.786 120.570 -0.201 0.000 2.423 479 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 479 I C 1.813 177.455 176.117 -0.792 0.000 1.151 479 I CA 1.345 62.228 61.300 -0.694 0.000 1.421 479 I CB -0.036 37.751 38.000 -0.355 0.000 1.079 479 I HN 0.506 nan 8.210 nan 0.000 0.431 480 S N -0.609 114.846 115.700 -0.408 0.000 2.555 480 S HA -0.094 4.375 4.470 -0.000 0.000 0.230 480 S C 1.526 175.939 174.600 -0.311 0.000 0.978 480 S CA 0.750 58.756 58.200 -0.324 0.000 0.934 480 S CB -0.446 62.642 63.200 -0.187 0.000 0.766 480 S HN 0.603 nan 8.310 nan 0.000 0.533 481 E N 0.103 120.114 120.200 -0.315 0.000 2.385 481 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 481 E C 0.591 177.072 176.600 -0.198 0.000 1.013 481 E CA 0.709 56.983 56.400 -0.210 0.000 0.866 481 E CB 0.014 29.623 29.700 -0.151 0.000 0.832 481 E HN 1.050 nan 8.360 nan 0.000 0.500 482 Y N -1.727 118.375 120.300 -0.331 0.000 2.825 482 Y HA 0.305 4.855 4.550 -0.000 0.000 0.259 482 Y C 0.696 176.189 175.900 -0.678 0.000 1.113 482 Y CA -0.592 57.260 58.100 -0.413 0.000 1.241 482 Y CB -0.484 37.765 38.460 -0.351 0.000 1.331 482 Y HN -0.106 nan 8.280 nan 0.000 0.570 483 N N -0.139 118.040 118.700 -0.868 0.000 2.230 483 N HA 0.203 4.942 4.740 -0.000 0.000 0.202 483 N C -0.107 175.119 175.510 -0.472 0.000 1.119 483 N CA 0.212 52.600 53.050 -1.103 0.000 0.851 483 N CB 0.593 38.546 38.487 -0.889 0.000 0.990 483 N HN 0.184 nan 8.380 nan 0.000 0.497 484 S N 0.000 115.510 115.700 -0.317 0.000 2.498 484 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 484 S CA 0.000 58.104 58.200 -0.160 0.000 1.107 484 S CB 0.000 63.114 63.200 -0.143 0.000 0.593 484 S HN 0.000 nan 8.310 nan 0.000 0.517