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 1th3_1_B DATA FIRST_RESID 3 DATA SEQUENCE NRDPASDQMK HWKEQRAAQK PDVLTTGGGN PVGDKLNSLT VGPRGPLLVQ DATA SEQUENCE DVVFTDEMAH FDRERIPERV VHAKGAGAFG YFEVTHDITR YSKAKVFEHI DATA SEQUENCE GKRTPIAVRF STVAGESGSA DTVRDPRGFA VKFYTEDGNW DLVGNNTPIF DATA SEQUENCE FIRDALLFPS FIHSQKRNPQ THLKDPDMVW DFWSLRPESL HQVSFLFSDR DATA SEQUENCE GIPDGHRHMD GYGSHTFKLV NADGEAVYCK FHYKTDQGIK NLSVEDAARL DATA SEQUENCE AHEDPDYGLR DLFNAIATGN YPSWTLYIQV MTFSEAEIFP FNPFDLTKVW DATA SEQUENCE PHGDYPLIPV GKLVLNRNPV NYFAEVEQLA FDPSNMPPGI EPSPDKMLQG DATA SEQUENCE RLFAYPDTHR HRLGPNYLQI PVNCPYRARV ANYQRDGPMC MMDNQGGAPN DATA SEQUENCE YYPNSFSAPE HQPSALEHRT HFSGDVQRFN SANDDNVTQV RTFYLKVLNE DATA SEQUENCE EQRKRLCENI AGHLKDAQLF IQKKAVKNFS DVHPEYGSRI QALLDKYNE 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 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.543 175.510 0.056 0.000 1.280 3 N CA 0.000 53.079 53.050 0.048 0.000 0.885 3 N CB 0.000 38.523 38.487 0.060 0.000 1.341 4 R N -0.069 120.456 120.500 0.041 0.000 2.941 4 R HA -0.218 4.122 4.340 0.001 0.000 0.730 4 R C 0.378 176.719 176.300 0.067 0.000 0.396 4 R CA 1.534 57.661 56.100 0.045 0.000 2.227 4 R CB -0.518 29.801 30.300 0.032 0.000 0.591 4 R HN 0.546 nan 8.270 nan 0.000 0.698 5 D N 0.732 121.178 120.400 0.077 0.000 2.388 5 D HA 0.119 4.760 4.640 0.001 0.000 0.254 5 D C -1.780 174.620 176.300 0.168 0.000 1.111 5 D CA -1.629 52.437 54.000 0.110 0.000 0.993 5 D CB 0.580 41.442 40.800 0.104 0.000 1.118 5 D HN 0.161 nan 8.370 nan 0.000 0.502 6 P HA -0.225 nan 4.420 nan 0.000 0.216 6 P C 1.328 178.880 177.300 0.421 0.000 1.153 6 P CA 2.030 65.344 63.100 0.356 0.000 0.858 6 P CB -0.064 31.787 31.700 0.251 0.000 0.789 7 A N 0.441 123.506 122.820 0.409 0.000 1.841 7 A HA -0.184 4.137 4.320 0.001 0.000 0.216 7 A C 2.537 180.168 177.584 0.077 0.000 1.199 7 A CA 2.602 54.805 52.037 0.276 0.000 0.621 7 A CB -1.683 17.420 19.000 0.172 0.000 0.835 7 A HN 0.198 nan 8.150 nan 0.000 0.445 8 S N 0.166 115.900 115.700 0.057 0.000 2.420 8 S HA -0.136 4.334 4.470 0.001 0.000 0.237 8 S C 0.969 175.551 174.600 -0.029 0.000 1.023 8 S CA 1.358 59.560 58.200 0.004 0.000 0.991 8 S CB -0.374 62.835 63.200 0.014 0.000 0.792 8 S HN 0.561 nan 8.310 nan 0.000 0.488 9 D N 1.005 121.375 120.400 -0.049 0.000 2.352 9 D HA 0.032 4.673 4.640 0.001 0.000 0.236 9 D C 1.734 177.862 176.300 -0.288 0.000 1.148 9 D CA -0.007 53.841 54.000 -0.254 0.000 0.844 9 D CB -0.073 40.424 40.800 -0.506 0.000 0.933 9 D HN 0.317 nan 8.370 nan 0.000 0.507 10 Q N 0.597 120.373 119.800 -0.039 0.000 2.029 10 Q HA -0.203 4.137 4.340 0.001 0.000 0.209 10 Q C 1.894 177.947 176.000 0.088 0.000 0.999 10 Q CA 1.420 57.265 55.803 0.071 0.000 0.857 10 Q CB -0.071 28.666 28.738 -0.001 0.000 0.926 10 Q HN 0.356 nan 8.270 nan 0.000 0.415 11 M N 0.082 119.697 119.600 0.026 0.000 2.132 11 M HA -0.172 4.308 4.480 0.001 0.000 0.263 11 M C 2.191 178.580 176.300 0.149 0.000 1.065 11 M CA 1.568 56.920 55.300 0.086 0.000 1.122 11 M CB -0.303 32.301 32.600 0.007 0.000 1.365 11 M HN 0.038 nan 8.290 nan 0.000 0.411 12 K N 0.566 120.968 120.400 0.003 0.000 2.015 12 K HA -0.246 4.074 4.320 0.001 0.000 0.220 12 K C 1.700 178.335 176.600 0.058 0.000 1.055 12 K CA 2.082 58.347 56.287 -0.038 0.000 0.951 12 K CB -0.637 31.738 32.500 -0.209 0.000 0.725 12 K HN 0.385 nan 8.250 nan 0.000 0.449 13 H N -1.787 117.379 119.070 0.161 0.000 2.456 13 H HA -0.110 4.446 4.556 0.001 0.000 0.296 13 H C 1.848 177.277 175.328 0.169 0.000 1.079 13 H CA 1.369 57.504 56.048 0.145 0.000 1.322 13 H CB -0.599 29.255 29.762 0.153 0.000 1.388 13 H HN 0.463 nan 8.280 nan 0.000 0.538 14 W N 2.342 123.730 121.300 0.145 0.000 2.380 14 W HA -0.135 4.526 4.660 0.001 0.000 0.317 14 W C 2.738 179.298 176.519 0.068 0.000 1.196 14 W CA 1.865 59.268 57.345 0.098 0.000 1.307 14 W CB -0.079 29.423 29.460 0.071 0.000 1.157 14 W HN 0.033 nan 8.180 nan 0.000 0.483 15 K N 0.397 120.994 120.400 0.329 0.000 2.074 15 K HA -0.256 4.064 4.320 0.001 0.000 0.209 15 K C 1.722 178.317 176.600 -0.009 0.000 1.048 15 K CA 2.186 58.561 56.287 0.147 0.000 0.926 15 K CB -0.295 32.320 32.500 0.192 0.000 0.713 15 K HN 0.279 nan 8.250 nan 0.000 0.444 16 E N 0.775 121.000 120.200 0.042 0.000 1.993 16 E HA -0.289 4.062 4.350 0.001 0.000 0.198 16 E C 2.086 178.654 176.600 -0.052 0.000 0.999 16 E CA 1.665 58.076 56.400 0.019 0.000 0.850 16 E CB -0.408 29.340 29.700 0.080 0.000 0.796 16 E HN 0.509 nan 8.360 nan 0.000 0.482 17 Q N 1.054 120.825 119.800 -0.049 0.000 2.315 17 Q HA -0.241 4.100 4.340 0.001 0.000 0.213 17 Q C 1.541 177.428 176.000 -0.188 0.000 0.994 17 Q CA 1.442 57.185 55.803 -0.099 0.000 0.906 17 Q CB -0.457 28.230 28.738 -0.086 0.000 0.918 17 Q HN 0.063 nan 8.270 nan 0.000 0.427 18 R N 1.174 121.491 120.500 -0.305 0.000 2.858 18 R HA 0.152 4.492 4.340 0.001 0.000 0.228 18 R C 0.867 177.046 176.300 -0.202 0.000 1.471 18 R CA 0.336 56.212 56.100 -0.374 0.000 1.342 18 R CB -0.787 29.141 30.300 -0.619 0.000 1.152 18 R HN 0.464 nan 8.270 nan 0.000 0.521 19 A N 0.601 123.342 122.820 -0.133 0.000 5.446 19 A HA -0.346 3.974 4.320 0.001 0.000 0.400 19 A C 1.100 178.644 177.584 -0.068 0.000 1.618 19 A CA 1.854 53.842 52.037 -0.081 0.000 0.995 19 A CB -1.366 17.592 19.000 -0.071 0.000 1.496 19 A HN 0.521 nan 8.150 nan 0.000 0.479 20 A N -1.548 121.240 122.820 -0.052 0.000 2.603 20 A HA 0.504 4.824 4.320 0.001 0.000 0.277 20 A C 0.385 177.948 177.584 -0.035 0.000 1.158 20 A CA 0.822 52.837 52.037 -0.036 0.000 0.962 20 A CB 0.011 18.998 19.000 -0.022 0.000 1.189 20 A HN 0.769 nan 8.150 nan 0.000 0.552 21 Q N 1.286 121.057 119.800 -0.048 0.000 2.364 21 Q HA 0.308 4.649 4.340 0.001 0.000 0.267 21 Q C -0.154 175.826 176.000 -0.033 0.000 0.999 21 Q CA 0.260 56.039 55.803 -0.040 0.000 0.886 21 Q CB 0.655 29.363 28.738 -0.051 0.000 1.243 21 Q HN 0.322 nan 8.270 nan 0.000 0.415 22 K N 2.145 122.535 120.400 -0.017 0.000 2.339 22 K HA 0.059 4.380 4.320 0.001 0.000 0.260 22 K C -1.976 174.625 176.600 0.001 0.000 0.989 22 K CA -0.858 55.427 56.287 -0.003 0.000 0.888 22 K CB -0.244 32.257 32.500 0.002 0.000 0.983 22 K HN 0.529 nan 8.250 nan 0.000 0.515 23 P HA 0.121 nan 4.420 nan 0.000 0.284 23 P C -1.083 176.245 177.300 0.046 0.000 1.258 23 P CA -0.496 62.633 63.100 0.049 0.000 0.824 23 P CB 0.651 32.398 31.700 0.079 0.000 1.038 24 D N 0.321 120.757 120.400 0.060 0.000 2.378 24 D HA 0.056 4.696 4.640 0.001 0.000 0.238 24 D C 0.225 176.551 176.300 0.042 0.000 1.180 24 D CA 0.039 54.068 54.000 0.047 0.000 0.895 24 D CB 0.641 41.476 40.800 0.057 0.000 1.192 24 D HN 0.056 nan 8.370 nan 0.000 0.438 25 V N 1.948 121.879 119.914 0.029 0.000 2.555 25 V HA -0.032 4.089 4.120 0.001 0.000 0.286 25 V C 0.563 176.671 176.094 0.022 0.000 1.044 25 V CA -0.621 61.693 62.300 0.024 0.000 1.026 25 V CB 1.090 32.923 31.823 0.016 0.000 0.981 25 V HN 0.330 nan 8.190 nan 0.000 0.480 26 L N 6.954 128.190 121.223 0.022 0.000 2.513 26 L HA 0.384 4.724 4.340 0.001 0.000 0.272 26 L C 0.561 177.437 176.870 0.010 0.000 1.187 26 L CA 1.093 55.943 54.840 0.016 0.000 0.895 26 L CB 0.554 42.623 42.059 0.016 0.000 1.147 26 L HN 1.001 nan 8.230 nan 0.000 0.483 27 T N 0.478 115.034 114.554 0.004 0.000 2.831 27 T HA 0.754 5.104 4.350 0.001 0.000 0.287 27 T C 0.129 174.825 174.700 -0.007 0.000 1.070 27 T CA -0.166 61.934 62.100 0.000 0.000 1.010 27 T CB 1.232 70.099 68.868 -0.002 0.000 1.264 27 T HN 0.740 nan 8.240 nan 0.000 0.532 28 T N -2.306 112.243 114.554 -0.007 0.000 2.849 28 T HA 0.553 4.903 4.350 0.001 0.000 0.276 28 T C 1.778 176.462 174.700 -0.027 0.000 0.971 28 T CA -0.113 61.979 62.100 -0.013 0.000 0.949 28 T CB 0.496 69.361 68.868 -0.004 0.000 1.093 28 T HN 0.950 nan 8.240 nan 0.000 0.545 29 G N -0.266 108.511 108.800 -0.037 0.000 2.450 29 G HA2 0.016 3.976 3.960 0.001 0.000 0.220 29 G HA3 0.016 3.976 3.960 0.001 0.000 0.220 29 G C 1.496 176.379 174.900 -0.028 0.000 1.130 29 G CA 0.591 45.662 45.100 -0.049 0.000 0.760 29 G HN 1.021 nan 8.290 nan 0.000 0.557 30 G N -0.409 108.381 108.800 -0.015 0.000 2.448 30 G HA2 0.318 4.278 3.960 0.001 0.000 0.218 30 G HA3 0.318 4.278 3.960 0.001 0.000 0.218 30 G C 1.284 176.179 174.900 -0.008 0.000 1.135 30 G CA 0.897 45.992 45.100 -0.009 0.000 0.784 30 G HN 1.514 nan 8.290 nan 0.000 0.543 31 G N -0.685 108.110 108.800 -0.009 0.000 2.184 31 G HA2 -0.226 3.734 3.960 0.001 0.000 0.206 31 G HA3 -0.226 3.734 3.960 0.001 0.000 0.206 31 G C -0.002 174.897 174.900 -0.001 0.000 0.995 31 G CA -0.093 45.004 45.100 -0.006 0.000 0.651 31 G HN 0.601 nan 8.290 nan 0.000 0.511 32 N N 2.510 121.210 118.700 0.000 0.000 2.470 32 N HA 0.505 5.245 4.740 0.001 0.000 0.268 32 N C -2.595 172.918 175.510 0.005 0.000 1.136 32 N CA -0.956 52.096 53.050 0.003 0.000 0.961 32 N CB 0.973 39.463 38.487 0.005 0.000 1.067 32 N HN 0.153 nan 8.380 nan 0.000 0.468 33 P HA 0.014 nan 4.420 nan 0.000 0.269 33 P C -0.653 176.653 177.300 0.010 0.000 1.209 33 P CA -0.214 62.891 63.100 0.008 0.000 0.776 33 P CB 0.613 32.318 31.700 0.008 0.000 0.876 34 V N 2.981 122.902 119.914 0.011 0.000 2.407 34 V HA 0.318 4.439 4.120 0.001 0.000 0.278 34 V C 1.633 177.734 176.094 0.012 0.000 1.037 34 V CA 0.370 62.678 62.300 0.014 0.000 0.900 34 V CB 0.767 32.600 31.823 0.017 0.000 0.983 34 V HN 0.810 nan 8.190 nan 0.000 0.459 35 G N 2.747 111.554 108.800 0.012 0.000 2.430 35 G HA2 -0.028 3.933 3.960 0.001 0.000 0.216 35 G HA3 -0.028 3.933 3.960 0.001 0.000 0.216 35 G C 0.269 175.174 174.900 0.008 0.000 1.146 35 G CA 0.643 45.748 45.100 0.009 0.000 0.793 35 G HN 0.675 nan 8.290 nan 0.000 0.537 36 D N -1.070 119.335 120.400 0.009 0.000 2.419 36 D HA 0.138 4.779 4.640 0.001 0.000 0.219 36 D C 0.074 176.380 176.300 0.010 0.000 1.349 36 D CA -0.603 53.401 54.000 0.006 0.000 0.964 36 D CB 0.852 41.653 40.800 0.000 0.000 1.463 36 D HN 0.226 nan 8.370 nan 0.000 0.573 37 K N 3.430 123.837 120.400 0.012 0.000 2.593 37 K HA 0.351 4.671 4.320 0.001 0.000 0.208 37 K C 0.107 176.713 176.600 0.010 0.000 1.051 37 K CA -0.148 56.151 56.287 0.020 0.000 1.111 37 K CB 0.218 32.733 32.500 0.025 0.000 0.849 37 K HN 0.316 nan 8.250 nan 0.000 0.479 38 L N -0.397 120.824 121.223 -0.004 0.000 2.717 38 L HA 0.269 4.610 4.340 0.001 0.000 0.239 38 L C -0.278 176.572 176.870 -0.032 0.000 1.086 38 L CA -0.340 54.490 54.840 -0.016 0.000 0.897 38 L CB 0.366 42.417 42.059 -0.014 0.000 1.214 38 L HN 0.229 nan 8.230 nan 0.000 0.508 39 N N 0.319 118.999 118.700 -0.034 0.000 2.442 39 N HA 0.254 4.994 4.740 0.001 0.000 0.274 39 N C -0.643 174.827 175.510 -0.067 0.000 1.002 39 N CA -0.154 52.864 53.050 -0.052 0.000 0.910 39 N CB 1.905 40.368 38.487 -0.040 0.000 1.244 39 N HN -0.129 nan 8.380 nan 0.000 0.492 40 S N 1.268 116.898 115.700 -0.118 0.000 2.563 40 S HA 0.032 4.502 4.470 0.001 0.000 0.269 40 S C 0.499 175.039 174.600 -0.101 0.000 1.364 40 S CA -0.256 57.846 58.200 -0.164 0.000 1.010 40 S CB 0.610 63.632 63.200 -0.298 0.000 0.877 40 S HN 0.377 nan 8.310 nan 0.000 0.549 41 L N 3.683 124.857 121.223 -0.082 0.000 2.295 41 L HA 0.304 4.644 4.340 0.001 0.000 0.288 41 L C 0.352 177.191 176.870 -0.052 0.000 1.079 41 L CA 0.258 55.073 54.840 -0.042 0.000 0.830 41 L CB -0.497 41.557 42.059 -0.007 0.000 1.200 41 L HN 0.922 nan 8.230 nan 0.000 0.438 42 T N 0.925 115.451 114.554 -0.047 0.000 2.930 42 T HA 0.418 4.768 4.350 0.001 0.000 0.290 42 T C -0.229 174.455 174.700 -0.028 0.000 1.052 42 T CA -0.727 61.346 62.100 -0.044 0.000 1.017 42 T CB 2.443 71.278 68.868 -0.054 0.000 1.137 42 T HN 0.234 nan 8.240 nan 0.000 0.511 43 V N 1.574 121.474 119.914 -0.024 0.000 2.270 43 V HA 0.655 4.776 4.120 0.001 0.000 0.263 43 V C 0.422 176.506 176.094 -0.018 0.000 1.066 43 V CA 1.131 63.421 62.300 -0.017 0.000 0.857 43 V CB -0.691 31.125 31.823 -0.012 0.000 1.099 43 V HN 1.717 nan 8.190 nan 0.000 0.476 44 G N 6.928 115.717 108.800 -0.017 0.000 2.662 44 G HA2 -0.077 3.883 3.960 0.001 0.000 0.686 44 G HA3 -0.077 3.883 3.960 0.001 0.000 0.686 44 G C -2.146 172.742 174.900 -0.021 0.000 1.271 44 G CA -0.274 44.816 45.100 -0.017 0.000 0.816 44 G HN 0.551 nan 8.290 nan 0.000 0.608 45 P HA 0.171 nan 4.420 nan 0.000 0.242 45 P C 0.945 178.230 177.300 -0.025 0.000 1.197 45 P CA 0.800 63.886 63.100 -0.022 0.000 0.765 45 P CB 0.215 31.904 31.700 -0.019 0.000 0.936 46 R N -1.081 119.405 120.500 -0.024 0.000 2.559 46 R HA 0.391 4.732 4.340 0.001 0.000 0.448 46 R C 0.469 176.755 176.300 -0.024 0.000 0.953 46 R CA -0.123 55.962 56.100 -0.025 0.000 1.086 46 R CB 0.489 30.777 30.300 -0.020 0.000 1.491 46 R HN 0.080 nan 8.270 nan 0.000 0.597 47 G N 0.432 109.216 108.800 -0.026 0.000 2.552 47 G HA2 0.582 4.543 3.960 0.001 0.000 0.318 47 G HA3 0.582 4.543 3.960 0.001 0.000 0.318 47 G C -2.471 172.412 174.900 -0.030 0.000 1.240 47 G CA -1.457 43.629 45.100 -0.024 0.000 1.002 47 G HN -0.099 nan 8.290 nan 0.000 0.493 48 P HA 0.311 nan 4.420 nan 0.000 0.275 48 P C -0.458 176.821 177.300 -0.035 0.000 1.266 48 P CA -0.691 62.392 63.100 -0.028 0.000 0.793 48 P CB 0.635 32.326 31.700 -0.016 0.000 1.074 49 L N 0.779 121.978 121.223 -0.040 0.000 2.375 49 L HA 0.283 4.623 4.340 0.001 0.000 0.271 49 L C -0.873 175.991 176.870 -0.010 0.000 1.107 49 L CA -0.132 54.678 54.840 -0.050 0.000 0.806 49 L CB 0.085 42.094 42.059 -0.084 0.000 1.146 49 L HN 0.074 nan 8.230 nan 0.000 0.447 50 L N 5.727 126.949 121.223 -0.000 0.000 2.295 50 L HA 0.233 4.573 4.340 0.001 0.000 0.285 50 L C 1.235 178.140 176.870 0.058 0.000 1.035 50 L CA -0.286 54.568 54.840 0.023 0.000 0.806 50 L CB 1.298 43.366 42.059 0.016 0.000 1.214 50 L HN 0.704 nan 8.230 nan 0.000 0.426 51 V N 1.775 121.725 119.914 0.059 0.000 2.688 51 V HA -0.254 3.866 4.120 0.001 0.000 0.256 51 V C 1.854 177.990 176.094 0.070 0.000 1.084 51 V CA 1.668 64.013 62.300 0.074 0.000 1.103 51 V CB -0.670 31.183 31.823 0.050 0.000 0.688 51 V HN 1.020 nan 8.190 nan 0.000 0.480 52 Q N 0.320 120.151 119.800 0.052 0.000 2.439 52 Q HA -0.185 4.156 4.340 0.001 0.000 0.211 52 Q C 0.836 176.870 176.000 0.056 0.000 0.978 52 Q CA 1.203 57.032 55.803 0.043 0.000 0.897 52 Q CB -0.198 28.558 28.738 0.029 0.000 0.956 52 Q HN 0.787 nan 8.270 nan 0.000 0.483 53 D N 0.630 121.081 120.400 0.084 0.000 2.517 53 D HA -0.006 4.634 4.640 0.001 0.000 0.220 53 D C 1.007 177.392 176.300 0.142 0.000 1.158 53 D CA -0.095 53.969 54.000 0.108 0.000 0.992 53 D CB 0.994 41.866 40.800 0.121 0.000 1.058 53 D HN 0.178 nan 8.370 nan 0.000 0.516 54 V N 1.704 121.668 119.914 0.084 0.000 3.380 54 V HA -0.077 4.043 4.120 0.001 0.000 0.268 54 V C 1.769 177.896 176.094 0.055 0.000 1.168 54 V CA 0.447 62.781 62.300 0.057 0.000 1.156 54 V CB -0.266 31.576 31.823 0.032 0.000 0.785 54 V HN 0.270 nan 8.190 nan 0.000 0.487 55 V N -0.046 119.918 119.914 0.083 0.000 2.379 55 V HA -0.131 3.989 4.120 0.001 0.000 0.245 55 V C 2.262 178.427 176.094 0.119 0.000 1.044 55 V CA 2.402 64.749 62.300 0.078 0.000 1.036 55 V CB -0.997 30.871 31.823 0.076 0.000 0.664 55 V HN 0.613 nan 8.190 nan 0.000 0.453 56 F N 2.016 121.966 119.950 0.000 0.000 2.060 56 F HA -0.155 4.372 4.527 0.000 0.000 0.295 56 F C 2.479 178.285 175.800 0.011 0.000 1.120 56 F CA 2.324 60.322 58.000 -0.002 0.000 1.205 56 F CB -1.079 37.917 39.000 -0.007 0.000 0.986 56 F HN 0.102 nan 8.300 nan 0.000 0.470 57 T N 0.096 114.488 114.554 -0.270 0.000 2.699 57 T HA -0.296 4.055 4.350 0.001 0.000 0.268 57 T C 1.510 176.076 174.700 -0.224 0.000 1.036 57 T CA 1.954 63.834 62.100 -0.366 0.000 1.147 57 T CB -0.699 68.095 68.868 -0.123 0.000 0.862 57 T HN 0.464 nan 8.240 nan 0.000 0.446 58 D N 0.630 120.970 120.400 -0.099 0.000 2.104 58 D HA -0.136 4.504 4.640 0.001 0.000 0.194 58 D C 2.172 178.456 176.300 -0.027 0.000 0.994 58 D CA 1.403 55.376 54.000 -0.043 0.000 0.830 58 D CB -0.108 40.684 40.800 -0.013 0.000 0.959 58 D HN 0.495 nan 8.370 nan 0.000 0.452 59 E N -1.367 118.811 120.200 -0.038 0.000 2.076 59 E HA -0.125 4.225 4.350 0.001 0.000 0.190 59 E C 1.938 178.549 176.600 0.019 0.000 0.979 59 E CA 0.420 56.829 56.400 0.014 0.000 0.807 59 E CB -0.065 29.651 29.700 0.026 0.000 0.761 59 E HN 0.210 nan 8.360 nan 0.000 0.454 60 M N 1.077 120.585 119.600 -0.153 0.000 2.117 60 M HA -0.093 4.387 4.480 0.001 0.000 0.262 60 M C 2.030 178.313 176.300 -0.027 0.000 1.065 60 M CA 1.776 56.978 55.300 -0.163 0.000 1.114 60 M CB -0.637 31.598 32.600 -0.609 0.000 1.361 60 M HN 0.139 nan 8.290 nan 0.000 0.408 61 A N -1.410 121.351 122.820 -0.097 0.000 1.892 61 A HA -0.273 4.048 4.320 0.001 0.000 0.218 61 A C 2.174 179.757 177.584 -0.002 0.000 1.188 61 A CA 2.383 54.391 52.037 -0.048 0.000 0.631 61 A CB -1.344 17.626 19.000 -0.050 0.000 0.822 61 A HN 0.727 nan 8.150 nan 0.000 0.447 62 H N -2.032 117.025 119.070 -0.022 0.000 2.389 62 H HA -0.098 4.458 4.556 0.001 0.000 0.299 62 H C 1.636 176.955 175.328 -0.014 0.000 1.081 62 H CA 1.817 57.852 56.048 -0.021 0.000 1.345 62 H CB -0.323 29.430 29.762 -0.015 0.000 1.393 62 H HN 0.482 nan 8.280 nan 0.000 0.520 63 F N 1.579 121.499 119.950 -0.050 0.000 2.069 63 F HA -0.223 4.304 4.527 0.001 0.000 0.298 63 F C 1.677 177.402 175.800 -0.125 0.000 1.113 63 F CA 1.920 59.874 58.000 -0.077 0.000 1.214 63 F CB -0.308 38.667 39.000 -0.042 0.000 0.978 63 F HN 0.205 nan 8.300 nan 0.000 0.474 64 D N 0.291 120.625 120.400 -0.110 0.000 2.403 64 D HA -0.116 4.525 4.640 0.001 0.000 0.227 64 D C 1.248 177.397 176.300 -0.253 0.000 0.995 64 D CA 0.799 54.691 54.000 -0.181 0.000 0.928 64 D CB -0.309 40.472 40.800 -0.032 0.000 0.887 64 D HN 0.509 nan 8.370 nan 0.000 0.529 65 R N -0.008 120.296 120.500 -0.328 0.000 2.600 65 R HA 0.157 4.497 4.340 0.001 0.000 0.392 65 R C 1.151 177.237 176.300 -0.357 0.000 1.032 65 R CA -0.130 55.788 56.100 -0.303 0.000 1.139 65 R CB 0.528 30.669 30.300 -0.265 0.000 1.400 65 R HN 0.161 nan 8.270 nan 0.000 0.566 66 E N 0.999 120.938 120.200 -0.434 0.000 2.047 66 E HA -0.082 4.269 4.350 0.001 0.000 0.191 66 E C 0.278 176.718 176.600 -0.268 0.000 0.987 66 E CA 0.743 56.896 56.400 -0.412 0.000 0.799 66 E CB 0.037 29.471 29.700 -0.443 0.000 0.752 66 E HN -0.044 nan 8.360 nan 0.000 0.449 67 R N 1.469 121.842 120.500 -0.212 0.000 2.537 67 R HA 0.206 4.546 4.340 0.001 0.000 0.280 67 R C 0.239 176.528 176.300 -0.019 0.000 1.058 67 R CA 0.109 56.161 56.100 -0.079 0.000 1.057 67 R CB -0.083 30.158 30.300 -0.098 0.000 0.973 67 R HN 0.266 nan 8.270 nan 0.000 0.438 68 I N 0.039 120.646 120.570 0.062 0.000 2.892 68 I HA 0.681 4.851 4.170 0.001 0.000 0.306 68 I C -2.100 174.019 176.117 0.003 0.000 1.078 68 I CA -2.795 58.520 61.300 0.025 0.000 1.032 68 I CB 2.448 40.483 38.000 0.057 0.000 1.229 68 I HN 0.431 nan 8.210 nan 0.000 0.435 69 P HA 0.070 nan 4.420 nan 0.000 0.265 69 P C -0.706 176.594 177.300 0.001 0.000 1.193 69 P CA 0.176 63.264 63.100 -0.021 0.000 0.765 69 P CB 0.458 32.129 31.700 -0.049 0.000 0.823 70 E N 3.392 123.609 120.200 0.028 0.000 2.391 70 E HA 0.168 4.518 4.350 0.001 0.000 0.255 70 E C -0.330 176.294 176.600 0.041 0.000 1.187 70 E CA -0.889 55.535 56.400 0.040 0.000 0.941 70 E CB 0.532 30.264 29.700 0.054 0.000 1.010 70 E HN 0.295 nan 8.360 nan 0.000 0.458 71 R N 0.560 121.091 120.500 0.052 0.000 2.570 71 R HA 0.004 4.344 4.340 0.001 0.000 0.277 71 R C 1.246 177.581 176.300 0.058 0.000 1.039 71 R CA -0.117 56.019 56.100 0.060 0.000 1.065 71 R CB 0.443 30.799 30.300 0.093 0.000 0.964 71 R HN 0.445 nan 8.270 nan 0.000 0.428 72 V N 2.713 122.654 119.914 0.045 0.000 2.324 72 V HA -0.200 3.921 4.120 0.001 0.000 0.250 72 V C 1.077 177.195 176.094 0.040 0.000 1.060 72 V CA 1.753 64.075 62.300 0.037 0.000 1.042 72 V CB -0.847 30.991 31.823 0.025 0.000 0.650 72 V HN 0.662 nan 8.190 nan 0.000 0.450 73 V N -4.690 115.277 119.914 0.090 0.000 3.040 73 V HA 0.596 4.717 4.120 0.001 0.000 0.312 73 V C 0.243 176.475 176.094 0.229 0.000 1.115 73 V CA -0.921 61.449 62.300 0.115 0.000 0.998 73 V CB 1.543 33.498 31.823 0.219 0.000 1.042 73 V HN 0.430 nan 8.190 nan 0.000 0.433 74 H N 0.208 119.325 119.070 0.079 0.000 2.839 74 H HA -0.214 4.342 4.556 0.001 0.000 0.298 74 H C 1.521 176.895 175.328 0.077 0.000 1.224 74 H CA 0.789 56.890 56.048 0.089 0.000 1.144 74 H CB -1.148 28.674 29.762 0.101 0.000 1.372 74 H HN 1.173 nan 8.280 nan 0.000 0.408 75 A N 0.506 123.408 122.820 0.137 0.000 1.933 75 A HA -0.110 4.211 4.320 0.001 0.000 0.218 75 A C 1.543 179.207 177.584 0.133 0.000 1.175 75 A CA 1.585 53.692 52.037 0.116 0.000 0.628 75 A CB 0.036 19.081 19.000 0.075 0.000 0.814 75 A HN 0.232 nan 8.150 nan 0.000 0.444 76 K N 0.027 120.504 120.400 0.129 0.000 2.253 76 K HA 0.522 4.843 4.320 0.001 0.000 0.277 76 K C -0.063 176.645 176.600 0.181 0.000 1.053 76 K CA 0.642 57.017 56.287 0.146 0.000 0.892 76 K CB 0.566 33.135 32.500 0.116 0.000 1.102 76 K HN 0.368 nan 8.250 nan 0.000 0.469 77 G N 1.277 110.203 108.800 0.211 0.000 2.548 77 G HA2 0.707 4.668 3.960 0.001 0.000 0.301 77 G HA3 0.707 4.668 3.960 0.001 0.000 0.301 77 G C -1.770 173.287 174.900 0.261 0.000 1.349 77 G CA -0.404 44.816 45.100 0.199 0.000 0.792 77 G HN 0.700 nan 8.290 nan 0.000 0.481 78 A N -1.498 121.428 122.820 0.177 0.000 2.469 78 A HA 1.009 5.330 4.320 0.001 0.000 0.299 78 A C -0.001 177.654 177.584 0.118 0.000 1.098 78 A CA -0.055 52.140 52.037 0.264 0.000 0.737 78 A CB 1.922 21.119 19.000 0.328 0.000 1.312 78 A HN 2.118 nan 8.150 nan 0.000 0.414 79 G N -1.065 107.812 108.800 0.129 0.000 2.619 79 G HA2 0.874 4.834 3.960 0.001 0.000 0.296 79 G HA3 0.874 4.834 3.960 0.001 0.000 0.296 79 G C -0.820 174.069 174.900 -0.018 0.000 1.334 79 G CA 0.033 45.091 45.100 -0.070 0.000 0.934 79 G HN 1.977 nan 8.290 nan 0.000 0.476 80 A N -0.130 122.552 122.820 -0.230 0.000 2.612 80 A HA 0.839 5.159 4.320 0.001 0.000 0.293 80 A C -1.821 175.539 177.584 -0.374 0.000 1.075 80 A CA -0.717 51.273 52.037 -0.079 0.000 0.680 80 A CB 1.058 20.150 19.000 0.154 0.000 1.279 80 A HN 0.731 nan 8.150 nan 0.000 0.411 81 F N -0.014 119.975 119.950 0.066 0.000 2.556 81 F HA 0.898 5.426 4.527 0.001 0.000 0.327 81 F C 1.072 176.896 175.800 0.040 0.000 1.059 81 F CA 0.312 58.343 58.000 0.051 0.000 0.953 81 F CB 2.241 41.265 39.000 0.041 0.000 1.227 81 F HN 1.095 nan 8.300 nan 0.000 0.478 82 G N 0.010 108.953 108.800 0.238 0.000 2.725 82 G HA2 0.458 4.419 3.960 0.001 0.000 0.098 82 G HA3 0.458 4.419 3.960 0.001 0.000 0.098 82 G C -1.838 173.228 174.900 0.277 0.000 1.188 82 G CA 0.033 45.238 45.100 0.175 0.000 1.237 82 G HN 0.877 nan 8.290 nan 0.000 0.596 83 Y N -1.864 118.505 120.300 0.115 0.000 2.779 83 Y HA 0.803 5.353 4.550 0.001 0.000 0.340 83 Y C -1.966 174.067 175.900 0.222 0.000 1.252 83 Y CA -1.925 56.262 58.100 0.146 0.000 1.072 83 Y CB 1.147 39.686 38.460 0.132 0.000 1.343 83 Y HN 0.953 nan 8.280 nan 0.000 0.450 84 F N 1.324 121.455 119.950 0.301 0.000 2.579 84 F HA 0.779 5.307 4.527 0.001 0.000 0.324 84 F C -1.065 175.008 175.800 0.455 0.000 1.058 84 F CA -0.885 57.274 58.000 0.266 0.000 0.944 84 F CB 2.283 41.468 39.000 0.307 0.000 1.245 84 F HN 0.777 nan 8.300 nan 0.000 0.477 85 E N 3.221 123.120 120.200 -0.501 0.000 2.335 85 E HA 0.466 4.817 4.350 0.001 0.000 0.280 85 E C -1.939 174.302 176.600 -0.598 0.000 0.918 85 E CA -0.791 55.417 56.400 -0.321 0.000 0.765 85 E CB 2.482 32.236 29.700 0.090 0.000 1.218 85 E HN 0.529 nan 8.360 nan 0.000 0.425 86 V N 2.822 122.552 119.914 -0.307 0.000 2.649 86 V HA 0.173 4.293 4.120 0.001 0.000 0.292 86 V C 1.131 177.216 176.094 -0.015 0.000 1.055 86 V CA 0.840 63.059 62.300 -0.134 0.000 1.023 86 V CB 1.302 33.158 31.823 0.054 0.000 0.992 86 V HN 0.955 nan 8.190 nan 0.000 0.480 87 T N -0.299 114.299 114.554 0.073 0.000 3.016 87 T HA 0.311 4.661 4.350 0.001 0.000 0.271 87 T C 0.186 174.940 174.700 0.090 0.000 0.968 87 T CA -0.008 62.166 62.100 0.123 0.000 0.891 87 T CB 0.058 69.057 68.868 0.218 0.000 1.149 87 T HN 0.651 nan 8.240 nan 0.000 0.524 88 H N 0.437 119.507 119.070 0.001 0.000 2.985 88 H HA 0.668 5.224 4.556 0.001 0.000 0.360 88 H C -1.648 173.690 175.328 0.016 0.000 1.221 88 H CA -1.057 54.998 56.048 0.011 0.000 1.121 88 H CB 1.584 31.350 29.762 0.007 0.000 1.854 88 H HN 0.074 nan 8.280 nan 0.000 0.551 89 D N 2.095 122.571 120.400 0.127 0.000 2.441 89 D HA 0.150 4.790 4.640 0.001 0.000 0.231 89 D C 0.313 176.653 176.300 0.066 0.000 1.073 89 D CA -0.365 53.684 54.000 0.080 0.000 0.850 89 D CB 0.669 41.499 40.800 0.050 0.000 1.062 89 D HN 0.675 nan 8.370 nan 0.000 0.524 90 I N 1.282 121.881 120.570 0.048 0.000 3.936 90 I HA 0.113 4.283 4.170 0.001 0.000 0.330 90 I C 1.677 177.840 176.117 0.075 0.000 1.509 90 I CA -0.390 60.954 61.300 0.074 0.000 1.126 90 I CB 0.152 38.175 38.000 0.038 0.000 1.115 90 I HN 0.156 nan 8.210 nan 0.000 0.424 91 T N 0.768 115.358 114.554 0.059 0.000 2.822 91 T HA -0.220 4.130 4.350 0.001 0.000 0.270 91 T C 1.813 176.527 174.700 0.024 0.000 1.064 91 T CA 1.830 63.972 62.100 0.071 0.000 1.131 91 T CB -0.549 68.353 68.868 0.057 0.000 0.858 91 T HN 0.598 nan 8.240 nan 0.000 0.483 92 R N -0.662 119.798 120.500 -0.067 0.000 2.339 92 R HA 0.191 4.532 4.340 0.001 0.000 0.199 92 R C 1.218 177.408 176.300 -0.183 0.000 1.018 92 R CA 0.725 56.726 56.100 -0.164 0.000 1.036 92 R CB -0.885 29.240 30.300 -0.291 0.000 0.899 92 R HN 0.434 nan 8.270 nan 0.000 0.473 93 Y N -0.842 119.469 120.300 0.018 0.000 2.609 93 Y HA 0.383 4.933 4.550 0.001 0.000 0.281 93 Y C 0.292 176.211 175.900 0.032 0.000 1.132 93 Y CA -0.186 57.923 58.100 0.015 0.000 1.264 93 Y CB 0.641 39.097 38.460 -0.006 0.000 1.325 93 Y HN 0.104 nan 8.280 nan 0.000 0.514 94 S N 0.242 116.078 115.700 0.227 0.000 2.614 94 S HA 0.369 4.840 4.470 0.001 0.000 0.275 94 S C -0.433 174.267 174.600 0.168 0.000 1.161 94 S CA -0.852 57.462 58.200 0.190 0.000 0.969 94 S CB 0.950 64.308 63.200 0.263 0.000 1.059 94 S HN 0.259 nan 8.310 nan 0.000 0.482 95 K N 3.068 123.516 120.400 0.081 0.000 2.589 95 K HA 0.539 4.859 4.320 0.001 0.000 0.204 95 K C 0.569 177.157 176.600 -0.020 0.000 1.029 95 K CA 0.204 56.514 56.287 0.039 0.000 1.177 95 K CB -0.350 32.160 32.500 0.016 0.000 0.902 95 K HN 0.587 nan 8.250 nan 0.000 0.501 96 A N 1.454 124.244 122.820 -0.049 0.000 2.531 96 A HA 0.056 4.377 4.320 0.001 0.000 0.236 96 A C 0.814 178.245 177.584 -0.256 0.000 1.062 96 A CA -0.213 51.652 52.037 -0.286 0.000 0.760 96 A CB 0.288 18.873 19.000 -0.692 0.000 0.995 96 A HN 0.448 nan 8.150 nan 0.000 0.501 97 K N 1.525 121.762 120.400 -0.271 0.000 2.211 97 K HA -0.068 4.252 4.320 0.001 0.000 0.203 97 K C 1.622 178.105 176.600 -0.195 0.000 1.050 97 K CA 1.172 57.344 56.287 -0.193 0.000 0.945 97 K CB -0.079 32.329 32.500 -0.153 0.000 0.732 97 K HN 0.552 nan 8.250 nan 0.000 0.451 98 V N 0.492 120.206 119.914 -0.334 0.000 2.809 98 V HA -0.139 3.982 4.120 0.001 0.000 0.256 98 V C 0.889 177.013 176.094 0.051 0.000 1.080 98 V CA 1.418 63.606 62.300 -0.187 0.000 1.102 98 V CB -0.250 31.360 31.823 -0.355 0.000 0.705 98 V HN 0.170 nan 8.190 nan 0.000 0.475 99 F N 0.284 120.247 119.950 0.022 0.000 2.732 99 F HA 0.294 4.821 4.527 0.001 0.000 0.303 99 F C 1.644 177.431 175.800 -0.022 0.000 1.110 99 F CA -0.204 57.832 58.000 0.060 0.000 1.355 99 F CB -0.968 38.055 39.000 0.039 0.000 1.081 99 F HN 0.204 nan 8.300 nan 0.000 0.565 100 E N 1.215 121.423 120.200 0.012 0.000 2.336 100 E HA -0.278 4.073 4.350 0.001 0.000 0.247 100 E C 0.215 176.713 176.600 -0.171 0.000 0.953 100 E CA 2.571 58.827 56.400 -0.239 0.000 0.997 100 E CB -0.235 29.087 29.700 -0.630 0.000 0.972 100 E HN 0.595 nan 8.360 nan 0.000 0.542 101 H N -2.686 116.439 119.070 0.092 0.000 2.941 101 H HA 0.489 5.046 4.556 0.001 0.000 0.344 101 H C -0.292 175.072 175.328 0.060 0.000 1.235 101 H CA -0.977 55.111 56.048 0.066 0.000 1.149 101 H CB 0.100 29.886 29.762 0.040 0.000 1.885 101 H HN 0.063 nan 8.280 nan 0.000 0.558 102 I N 0.631 121.335 120.570 0.224 0.000 2.754 102 I HA 0.230 4.400 4.170 0.001 0.000 0.285 102 I C 1.630 177.819 176.117 0.120 0.000 1.166 102 I CA 1.404 62.778 61.300 0.124 0.000 1.417 102 I CB 0.254 38.283 38.000 0.048 0.000 1.382 102 I HN 1.142 nan 8.210 nan 0.000 0.588 103 G N 4.275 113.122 108.800 0.078 0.000 2.179 103 G HA2 -0.250 3.710 3.960 0.001 0.000 0.260 103 G HA3 -0.250 3.710 3.960 0.001 0.000 0.260 103 G C 0.572 175.531 174.900 0.098 0.000 0.977 103 G CA -0.122 45.013 45.100 0.058 0.000 0.641 103 G HN 0.580 nan 8.290 nan 0.000 0.533 104 K N 1.597 122.101 120.400 0.172 0.000 2.278 104 K HA 0.266 4.586 4.320 0.001 0.000 0.289 104 K C 0.973 177.645 176.600 0.119 0.000 1.080 104 K CA -0.121 56.280 56.287 0.189 0.000 0.934 104 K CB -0.046 32.556 32.500 0.169 0.000 1.093 104 K HN 0.495 nan 8.250 nan 0.000 0.459 105 R N 1.263 121.827 120.500 0.106 0.000 2.577 105 R HA 0.348 4.688 4.340 0.001 0.000 0.269 105 R C -0.287 176.139 176.300 0.210 0.000 1.084 105 R CA -0.185 55.993 56.100 0.130 0.000 1.163 105 R CB 1.007 31.307 30.300 -0.000 0.000 1.100 105 R HN 0.410 nan 8.270 nan 0.000 0.547 106 T N 2.776 117.524 114.554 0.324 0.000 3.395 106 T HA 0.240 4.590 4.350 0.001 0.000 0.330 106 T C -2.731 172.184 174.700 0.359 0.000 1.076 106 T CA -1.191 61.112 62.100 0.338 0.000 1.070 106 T CB 2.032 71.178 68.868 0.464 0.000 1.119 106 T HN 0.422 nan 8.240 nan 0.000 0.462 107 P HA 0.441 nan 4.420 nan 0.000 0.271 107 P C -0.568 176.932 177.300 0.334 0.000 1.216 107 P CA -0.431 62.854 63.100 0.308 0.000 0.776 107 P CB 0.664 32.513 31.700 0.248 0.000 0.881 108 I N -1.226 119.494 120.570 0.250 0.000 3.206 108 I HA 0.930 5.100 4.170 0.001 0.000 0.313 108 I C -1.104 175.123 176.117 0.184 0.000 1.103 108 I CA -1.696 59.655 61.300 0.084 0.000 0.985 108 I CB 2.256 40.071 38.000 -0.308 0.000 1.240 108 I HN 0.309 nan 8.210 nan 0.000 0.464 109 A N 1.883 124.709 122.820 0.009 0.000 2.515 109 A HA 0.873 5.193 4.320 0.001 0.000 0.298 109 A C -1.256 176.198 177.584 -0.217 0.000 1.059 109 A CA -0.584 51.363 52.037 -0.150 0.000 0.698 109 A CB 1.921 20.924 19.000 0.004 0.000 1.289 109 A HN 0.585 nan 8.150 nan 0.000 0.404 110 V N 1.462 121.167 119.914 -0.350 0.000 2.971 110 V HA 0.742 4.862 4.120 0.001 0.000 0.309 110 V C -0.440 175.366 176.094 -0.479 0.000 1.130 110 V CA -0.746 61.308 62.300 -0.411 0.000 0.964 110 V CB 2.213 33.711 31.823 -0.541 0.000 1.029 110 V HN 0.977 nan 8.190 nan 0.000 0.427 111 R N 2.673 122.799 120.500 -0.622 0.000 2.518 111 R HA 0.500 4.841 4.340 0.001 0.000 0.296 111 R C -2.003 173.896 176.300 -0.668 0.000 1.080 111 R CA -0.329 55.476 56.100 -0.491 0.000 0.922 111 R CB 1.137 31.378 30.300 -0.098 0.000 1.184 111 R HN 0.521 nan 8.270 nan 0.000 0.445 112 F N 1.737 121.459 119.950 -0.378 0.000 2.370 112 F HA 0.549 5.077 4.527 0.001 0.000 0.319 112 F C 0.870 176.503 175.800 -0.277 0.000 1.129 112 F CA 0.275 57.981 58.000 -0.490 0.000 1.109 112 F CB 1.620 39.982 39.000 -1.065 0.000 1.262 112 F HN 0.703 nan 8.300 nan 0.000 0.534 113 S N -1.626 114.134 115.700 0.100 0.000 2.688 113 S HA 0.510 4.980 4.470 0.001 0.000 0.266 113 S C -0.683 174.077 174.600 0.267 0.000 1.061 113 S CA -0.622 57.701 58.200 0.206 0.000 0.844 113 S CB 0.813 64.162 63.200 0.248 0.000 1.103 113 S HN 0.711 nan 8.310 nan 0.000 0.471 114 T N -0.922 113.747 114.554 0.193 0.000 3.030 114 T HA 0.811 5.161 4.350 0.001 0.000 0.274 114 T C 0.987 175.593 174.700 -0.157 0.000 1.187 114 T CA 0.295 62.448 62.100 0.087 0.000 0.949 114 T CB -0.275 68.633 68.868 0.067 0.000 2.268 114 T HN 1.125 nan 8.240 nan 0.000 0.554 115 V N -0.307 119.484 119.914 -0.204 0.000 4.491 115 V HA 0.468 4.588 4.120 0.001 0.000 0.164 115 V C 2.769 178.744 176.094 -0.199 0.000 1.146 115 V CA 0.165 62.236 62.300 -0.380 0.000 1.322 115 V CB -1.071 30.590 31.823 -0.270 0.000 1.741 115 V HN 0.883 nan 8.190 nan 0.000 0.542 116 A N 1.138 123.849 122.820 -0.182 0.000 1.940 116 A HA 0.088 4.409 4.320 0.001 0.000 0.219 116 A C 1.606 179.117 177.584 -0.121 0.000 1.176 116 A CA 1.619 53.543 52.037 -0.188 0.000 0.631 116 A CB -1.345 17.513 19.000 -0.236 0.000 0.814 116 A HN 0.842 nan 8.150 nan 0.000 0.446 117 G N 0.059 108.814 108.800 -0.075 0.000 2.380 117 G HA2 0.391 4.351 3.960 0.001 0.000 0.242 117 G HA3 0.391 4.351 3.960 0.001 0.000 0.242 117 G C -0.061 174.831 174.900 -0.012 0.000 1.298 117 G CA -0.196 44.882 45.100 -0.037 0.000 0.878 117 G HN 0.504 nan 8.290 nan 0.000 0.542 118 E N 0.831 121.026 120.200 -0.008 0.000 3.136 118 E HA 0.188 4.538 4.350 0.001 0.000 0.271 118 E C 1.946 178.570 176.600 0.041 0.000 1.454 118 E CA 0.053 56.462 56.400 0.015 0.000 1.194 118 E CB 0.257 29.967 29.700 0.016 0.000 1.175 118 E HN 0.328 nan 8.360 nan 0.000 0.726 119 S N -0.685 115.045 115.700 0.051 0.000 2.402 119 S HA -0.082 4.389 4.470 0.001 0.000 0.229 119 S C 1.731 176.362 174.600 0.052 0.000 1.021 119 S CA 1.038 59.278 58.200 0.065 0.000 0.974 119 S CB -0.303 62.940 63.200 0.071 0.000 0.800 119 S HN 0.639 nan 8.310 nan 0.000 0.484 120 G N 1.594 110.419 108.800 0.041 0.000 2.712 120 G HA2 0.052 4.012 3.960 0.001 0.000 0.212 120 G HA3 0.052 4.012 3.960 0.001 0.000 0.212 120 G C 0.677 175.599 174.900 0.036 0.000 1.142 120 G CA 0.397 45.518 45.100 0.035 0.000 0.789 120 G HN 0.588 nan 8.290 nan 0.000 0.535 121 S N 0.015 115.738 115.700 0.038 0.000 2.572 121 S HA 0.516 4.986 4.470 0.001 0.000 0.262 121 S C 0.259 174.891 174.600 0.052 0.000 1.375 121 S CA 0.150 58.373 58.200 0.038 0.000 0.996 121 S CB 1.209 64.427 63.200 0.030 0.000 0.892 121 S HN 0.808 nan 8.310 nan 0.000 0.562 122 A N 0.610 123.463 122.820 0.056 0.000 2.337 122 A HA 0.559 4.879 4.320 0.001 0.000 0.331 122 A C 0.660 178.294 177.584 0.083 0.000 1.137 122 A CA -0.786 51.292 52.037 0.068 0.000 0.807 122 A CB 0.630 19.668 19.000 0.063 0.000 1.250 122 A HN 0.860 nan 8.150 nan 0.000 0.468 123 D N 0.951 121.415 120.400 0.107 0.000 2.081 123 D HA -0.097 4.544 4.640 0.001 0.000 0.194 123 D C 0.910 177.273 176.300 0.105 0.000 0.986 123 D CA 2.181 56.259 54.000 0.130 0.000 0.837 123 D CB -0.918 39.972 40.800 0.151 0.000 0.985 123 D HN 0.620 nan 8.370 nan 0.000 0.448 124 T N 1.226 115.832 114.554 0.088 0.000 2.914 124 T HA 0.155 4.505 4.350 0.001 0.000 0.215 124 T C 0.275 174.993 174.700 0.030 0.000 0.794 124 T CA 0.001 62.120 62.100 0.032 0.000 3.635 124 T CB -0.788 68.042 68.868 -0.063 0.000 0.763 124 T HN -0.042 nan 8.240 nan 0.000 0.273 125 V N 0.691 120.634 119.914 0.048 0.000 3.120 125 V HA 0.459 4.579 4.120 0.001 0.000 0.303 125 V C -0.360 175.754 176.094 0.034 0.000 1.238 125 V CA -1.732 60.592 62.300 0.040 0.000 1.008 125 V CB 2.354 34.201 31.823 0.041 0.000 1.064 125 V HN 0.534 nan 8.190 nan 0.000 0.434 126 R N 3.161 123.668 120.500 0.012 0.000 2.473 126 R HA 0.363 4.703 4.340 0.001 0.000 0.315 126 R C -1.095 175.190 176.300 -0.025 0.000 0.972 126 R CA 1.027 57.108 56.100 -0.032 0.000 1.047 126 R CB -0.257 29.973 30.300 -0.116 0.000 0.932 126 R HN 0.816 nan 8.270 nan 0.000 0.411 127 D N 3.743 124.155 120.400 0.019 0.000 2.842 127 D HA 0.223 4.864 4.640 0.001 0.000 0.248 127 D C -2.879 173.498 176.300 0.129 0.000 1.140 127 D CA -0.961 53.077 54.000 0.063 0.000 0.728 127 D CB 1.680 42.504 40.800 0.039 0.000 1.595 127 D HN 0.205 nan 8.370 nan 0.000 0.450 128 P HA 0.475 nan 4.420 nan 0.000 0.272 128 P C -0.853 176.580 177.300 0.222 0.000 1.240 128 P CA -0.470 62.764 63.100 0.223 0.000 0.791 128 P CB 0.610 32.482 31.700 0.287 0.000 0.978 129 R N -0.035 120.619 120.500 0.257 0.000 2.664 129 R HA 0.690 5.030 4.340 0.001 0.000 0.286 129 R C 0.121 176.624 176.300 0.338 0.000 0.967 129 R CA -0.493 55.780 56.100 0.288 0.000 0.933 129 R CB 0.993 31.468 30.300 0.292 0.000 1.146 129 R HN 0.599 nan 8.270 nan 0.000 0.468 130 G N 1.544 110.553 108.800 0.348 0.000 2.322 130 G HA2 0.435 4.395 3.960 0.001 0.000 0.309 130 G HA3 0.435 4.395 3.960 0.001 0.000 0.309 130 G C -1.407 173.551 174.900 0.097 0.000 1.121 130 G CA -0.023 45.217 45.100 0.232 0.000 0.886 130 G HN 0.355 nan 8.290 nan 0.000 0.447 131 F N 3.243 123.108 119.950 -0.142 0.000 2.552 131 F HA 0.662 5.189 4.527 0.001 0.000 0.369 131 F C 0.029 175.551 175.800 -0.463 0.000 1.112 131 F CA -1.961 55.865 58.000 -0.290 0.000 1.129 131 F CB 1.178 40.137 39.000 -0.068 0.000 1.360 131 F HN 0.612 nan 8.300 nan 0.000 0.473 132 A N 4.913 127.441 122.820 -0.486 0.000 2.304 132 A HA 0.810 5.130 4.320 0.001 0.000 0.323 132 A C -1.439 175.608 177.584 -0.894 0.000 1.195 132 A CA -0.561 50.892 52.037 -0.972 0.000 0.826 132 A CB 1.126 18.945 19.000 -1.968 0.000 1.184 132 A HN 0.367 nan 8.150 nan 0.000 0.496 133 V N 2.345 121.834 119.914 -0.708 0.000 2.540 133 V HA 0.467 4.588 4.120 0.001 0.000 0.302 133 V C -0.008 175.863 176.094 -0.371 0.000 1.035 133 V CA -0.736 61.215 62.300 -0.581 0.000 0.873 133 V CB 1.601 32.902 31.823 -0.870 0.000 0.992 133 V HN 0.907 nan 8.190 nan 0.000 0.428 134 K N 3.985 124.229 120.400 -0.259 0.000 2.293 134 K HA 0.549 4.869 4.320 0.001 0.000 0.267 134 K C -1.585 174.733 176.600 -0.470 0.000 1.010 134 K CA -0.490 55.614 56.287 -0.305 0.000 0.875 134 K CB 0.690 32.934 32.500 -0.427 0.000 1.106 134 K HN 0.492 nan 8.250 nan 0.000 0.450 135 F N 4.731 124.458 119.950 -0.372 0.000 2.313 135 F HA 0.233 4.760 4.527 0.001 0.000 0.369 135 F C -0.451 175.243 175.800 -0.176 0.000 1.109 135 F CA -0.679 57.222 58.000 -0.165 0.000 1.132 135 F CB 0.364 39.354 39.000 -0.016 0.000 1.291 135 F HN 0.443 nan 8.300 nan 0.000 0.496 136 Y N 1.589 121.898 120.300 0.015 0.000 2.518 136 Y HA 0.117 4.667 4.550 0.001 0.000 0.337 136 Y C 1.358 177.188 175.900 -0.117 0.000 1.261 136 Y CA -0.586 57.421 58.100 -0.155 0.000 1.856 136 Y CB -0.834 37.363 38.460 -0.438 0.000 1.798 136 Y HN 0.532 nan 8.280 nan 0.000 0.440 137 T N -2.455 112.125 114.554 0.042 0.000 2.810 137 T HA 0.174 4.525 4.350 0.001 0.000 0.277 137 T C 1.062 175.737 174.700 -0.042 0.000 0.973 137 T CA -0.596 61.509 62.100 0.008 0.000 0.949 137 T CB 1.022 69.867 68.868 -0.039 0.000 1.075 137 T HN 0.526 nan 8.240 nan 0.000 0.537 138 E N -0.242 119.928 120.200 -0.049 0.000 2.285 138 E HA 0.035 4.386 4.350 0.001 0.000 0.194 138 E C 0.627 177.190 176.600 -0.061 0.000 0.997 138 E CA 0.570 56.940 56.400 -0.050 0.000 0.845 138 E CB 0.129 29.804 29.700 -0.041 0.000 0.782 138 E HN 0.542 nan 8.360 nan 0.000 0.491 139 D N 0.281 120.633 120.400 -0.081 0.000 2.491 139 D HA 0.230 4.870 4.640 0.001 0.000 0.228 139 D C 0.272 176.524 176.300 -0.081 0.000 1.183 139 D CA 0.405 54.354 54.000 -0.085 0.000 0.827 139 D CB 0.448 41.178 40.800 -0.115 0.000 0.989 139 D HN 0.167 nan 8.370 nan 0.000 0.494 140 G N 0.972 109.730 108.800 -0.070 0.000 2.663 140 G HA2 -0.215 3.745 3.960 0.001 0.000 0.686 140 G HA3 -0.215 3.745 3.960 0.001 0.000 0.686 140 G C -0.453 174.409 174.900 -0.065 0.000 1.288 140 G CA -1.077 43.984 45.100 -0.065 0.000 0.836 140 G HN 0.100 nan 8.290 nan 0.000 0.584 141 N N -0.670 117.981 118.700 -0.081 0.000 2.508 141 N HA 0.451 5.191 4.740 0.001 0.000 0.264 141 N C -0.557 174.948 175.510 -0.008 0.000 1.216 141 N CA 0.089 53.070 53.050 -0.116 0.000 0.943 141 N CB 1.029 39.356 38.487 -0.266 0.000 1.113 141 N HN 0.671 nan 8.380 nan 0.000 0.447 142 W N 1.998 123.179 121.300 -0.198 0.000 2.471 142 W HA 0.345 5.006 4.660 0.001 0.000 0.318 142 W C -1.392 175.045 176.519 -0.136 0.000 1.034 142 W CA -0.862 56.342 57.345 -0.234 0.000 1.224 142 W CB 0.709 29.919 29.460 -0.417 0.000 1.335 142 W HN 0.313 nan 8.180 nan 0.000 0.452 143 D N 6.190 126.390 120.400 -0.333 0.000 2.414 143 D HA 0.189 4.829 4.640 0.001 0.000 0.232 143 D C -0.861 174.986 176.300 -0.755 0.000 1.070 143 D CA -0.299 53.448 54.000 -0.421 0.000 0.839 143 D CB 1.805 42.519 40.800 -0.145 0.000 1.079 143 D HN 0.269 nan 8.370 nan 0.000 0.521 144 L N 4.363 125.015 121.223 -0.951 0.000 2.321 144 L HA 0.292 4.632 4.340 0.001 0.000 0.272 144 L C -0.997 175.486 176.870 -0.645 0.000 1.050 144 L CA -0.609 53.629 54.840 -1.005 0.000 0.893 144 L CB 0.640 41.862 42.059 -1.394 0.000 1.272 144 L HN 0.026 nan 8.230 nan 0.000 0.435 145 V N 4.506 124.131 119.914 -0.482 0.000 2.372 145 V HA 0.668 4.788 4.120 0.001 0.000 0.261 145 V C 0.861 176.809 176.094 -0.243 0.000 1.055 145 V CA -0.357 61.687 62.300 -0.426 0.000 0.930 145 V CB 0.536 32.092 31.823 -0.445 0.000 1.031 145 V HN 0.818 nan 8.190 nan 0.000 0.479 146 G N 3.492 112.181 108.800 -0.185 0.000 2.574 146 G HA2 0.575 4.536 3.960 0.001 0.000 0.299 146 G HA3 0.575 4.536 3.960 0.001 0.000 0.299 146 G C -1.006 173.917 174.900 0.038 0.000 1.298 146 G CA -0.855 44.228 45.100 -0.028 0.000 0.952 146 G HN 0.580 nan 8.290 nan 0.000 0.477 147 N N -0.769 117.974 118.700 0.072 0.000 2.491 147 N HA 0.221 4.961 4.740 0.001 0.000 0.279 147 N C 0.903 176.522 175.510 0.181 0.000 1.236 147 N CA -0.792 52.344 53.050 0.144 0.000 0.982 147 N CB 0.862 39.426 38.487 0.128 0.000 1.194 147 N HN 0.563 nan 8.380 nan 0.000 0.582 148 N N -0.882 117.948 118.700 0.216 0.000 2.434 148 N HA -0.026 4.714 4.740 0.001 0.000 0.196 148 N C -0.512 175.029 175.510 0.051 0.000 1.183 148 N CA 0.178 53.410 53.050 0.303 0.000 0.849 148 N CB 0.153 38.837 38.487 0.328 0.000 0.992 148 N HN 0.387 nan 8.380 nan 0.000 0.460 149 T N -0.669 113.665 114.554 -0.367 0.000 2.900 149 T HA 0.388 4.738 4.350 0.001 0.000 0.303 149 T C -2.642 171.391 174.700 -1.111 0.000 1.142 149 T CA -1.757 59.671 62.100 -1.120 0.000 1.007 149 T CB 2.362 70.538 68.868 -1.154 0.000 1.156 149 T HN -0.190 nan 8.240 nan 0.000 0.490 150 P HA 0.254 nan 4.420 nan 0.000 0.249 150 P C 0.221 177.185 177.300 -0.560 0.000 1.229 150 P CA 0.109 62.771 63.100 -0.729 0.000 0.788 150 P CB -0.243 31.128 31.700 -0.548 0.000 1.072 151 I N -5.496 114.681 120.570 -0.655 0.000 3.145 151 I HA 0.675 4.845 4.170 0.001 0.000 0.313 151 I C -1.098 174.786 176.117 -0.388 0.000 1.122 151 I CA -1.626 59.359 61.300 -0.526 0.000 0.987 151 I CB 1.981 39.564 38.000 -0.694 0.000 1.236 151 I HN -0.314 nan 8.210 nan 0.000 0.453 152 F N 0.442 120.128 119.950 -0.441 0.000 2.640 152 F HA 0.568 5.095 4.527 0.001 0.000 0.324 152 F C -0.084 175.531 175.800 -0.308 0.000 1.077 152 F CA -0.869 56.938 58.000 -0.322 0.000 0.965 152 F CB 1.798 40.726 39.000 -0.121 0.000 1.351 152 F HN 0.423 nan 8.300 nan 0.000 0.487 153 F N 2.100 121.550 119.950 -0.833 0.000 2.146 153 F HA 0.055 4.583 4.527 0.001 0.000 0.298 153 F C 0.852 176.541 175.800 -0.185 0.000 1.096 153 F CA 0.827 58.505 58.000 -0.537 0.000 1.275 153 F CB -0.676 37.871 39.000 -0.756 0.000 1.008 153 F HN 0.140 nan 8.300 nan 0.000 0.480 154 I N -1.086 119.648 120.570 0.272 0.000 2.797 154 I HA 0.509 4.679 4.170 0.001 0.000 0.307 154 I C 0.644 176.925 176.117 0.274 0.000 1.033 154 I CA -1.061 60.409 61.300 0.283 0.000 1.071 154 I CB 2.218 40.430 38.000 0.354 0.000 1.255 154 I HN 0.030 nan 8.210 nan 0.000 0.445 155 R N 0.920 121.523 120.500 0.172 0.000 2.613 155 R HA 0.415 4.755 4.340 0.001 0.000 0.361 155 R C -0.930 175.438 176.300 0.114 0.000 1.072 155 R CA -0.346 55.829 56.100 0.125 0.000 1.089 155 R CB 0.259 30.607 30.300 0.079 0.000 1.343 155 R HN 0.702 nan 8.270 nan 0.000 0.571 156 D N 0.286 120.770 120.400 0.140 0.000 2.763 156 D HA 0.233 4.873 4.640 0.001 0.000 0.235 156 D C 0.552 176.938 176.300 0.143 0.000 1.334 156 D CA -0.264 53.806 54.000 0.117 0.000 0.950 156 D CB 2.160 43.026 40.800 0.109 0.000 1.433 156 D HN 0.081 nan 8.370 nan 0.000 0.580 157 A N 4.081 126.963 122.820 0.102 0.000 2.042 157 A HA -0.176 4.144 4.320 0.001 0.000 0.222 157 A C 2.133 179.814 177.584 0.161 0.000 1.167 157 A CA 1.068 53.171 52.037 0.110 0.000 0.649 157 A CB -0.387 18.641 19.000 0.047 0.000 0.809 157 A HN 0.732 nan 8.150 nan 0.000 0.457 158 L N -1.714 119.589 121.223 0.134 0.000 2.450 158 L HA -0.112 4.228 4.340 0.001 0.000 0.224 158 L C 1.545 178.515 176.870 0.166 0.000 1.149 158 L CA 0.650 55.566 54.840 0.127 0.000 0.816 158 L CB -0.181 41.934 42.059 0.093 0.000 0.932 158 L HN 0.358 nan 8.230 nan 0.000 0.449 159 L N -2.668 118.696 121.223 0.234 0.000 2.693 159 L HA 0.028 4.368 4.340 0.001 0.000 0.235 159 L C 1.634 178.693 176.870 0.316 0.000 1.127 159 L CA 0.332 55.355 54.840 0.305 0.000 0.914 159 L CB -0.091 42.208 42.059 0.400 0.000 1.193 159 L HN 0.016 nan 8.230 nan 0.000 0.502 160 F N 2.583 122.629 119.950 0.160 0.000 2.113 160 F HA -0.036 4.491 4.527 0.001 0.000 0.297 160 F C -0.504 175.292 175.800 -0.007 0.000 1.103 160 F CA 1.178 59.282 58.000 0.173 0.000 1.248 160 F CB -1.039 38.040 39.000 0.132 0.000 0.999 160 F HN 0.082 nan 8.300 nan 0.000 0.475 161 P HA -0.162 nan 4.420 nan 0.000 0.215 161 P C 1.836 178.664 177.300 -0.786 0.000 1.153 161 P CA 2.015 64.866 63.100 -0.415 0.000 0.853 161 P CB -0.124 31.460 31.700 -0.193 0.000 0.788 162 S N -0.694 114.767 115.700 -0.399 0.000 2.348 162 S HA -0.145 4.326 4.470 0.001 0.000 0.221 162 S C 1.664 175.885 174.600 -0.633 0.000 1.033 162 S CA 1.085 59.084 58.200 -0.336 0.000 1.010 162 S CB -1.222 61.968 63.200 -0.016 0.000 0.891 162 S HN 0.102 nan 8.310 nan 0.000 0.442 163 F N 3.137 122.515 119.950 -0.953 0.000 2.025 163 F HA -0.198 4.329 4.527 0.001 0.000 0.297 163 F C 1.891 177.127 175.800 -0.941 0.000 1.132 163 F CA 1.391 58.593 58.000 -1.330 0.000 1.191 163 F CB -0.725 37.775 39.000 -0.833 0.000 0.963 163 F HN 0.087 nan 8.300 nan 0.000 0.481 164 I N 0.704 120.513 120.570 -1.269 0.000 2.248 164 I HA -0.356 3.814 4.170 0.001 0.000 0.248 164 I C 2.564 178.245 176.117 -0.727 0.000 1.107 164 I CA 1.936 62.545 61.300 -1.151 0.000 1.373 164 I CB -1.928 35.506 38.000 -0.943 0.000 1.055 164 I HN 0.409 nan 8.210 nan 0.000 0.418 165 H N -0.564 118.133 119.070 -0.623 0.000 2.353 165 H HA -0.143 4.413 4.556 0.001 0.000 0.300 165 H C 2.558 177.585 175.328 -0.502 0.000 1.090 165 H CA 1.353 57.134 56.048 -0.446 0.000 1.327 165 H CB 0.098 29.672 29.762 -0.313 0.000 1.383 165 H HN 0.248 nan 8.280 nan 0.000 0.508 166 S N 0.267 115.646 115.700 -0.535 0.000 2.370 166 S HA -0.171 4.300 4.470 0.001 0.000 0.226 166 S C 1.958 176.180 174.600 -0.630 0.000 1.033 166 S CA 1.218 59.078 58.200 -0.568 0.000 1.011 166 S CB 0.022 62.769 63.200 -0.754 0.000 0.852 166 S HN 0.392 nan 8.310 nan 0.000 0.457 167 Q N 0.208 119.497 119.800 -0.852 0.000 2.432 167 Q HA 0.215 4.556 4.340 0.001 0.000 0.205 167 Q C 1.030 176.740 176.000 -0.483 0.000 0.945 167 Q CA 0.576 55.936 55.803 -0.739 0.000 0.924 167 Q CB 0.005 28.174 28.738 -0.947 0.000 1.016 167 Q HN 0.418 nan 8.270 nan 0.000 0.503 168 K N 0.344 120.489 120.400 -0.425 0.000 2.772 168 K HA 0.288 4.608 4.320 0.001 0.000 0.312 168 K C 0.312 176.751 176.600 -0.268 0.000 0.981 168 K CA -0.401 55.701 56.287 -0.308 0.000 1.289 168 K CB 0.552 32.893 32.500 -0.265 0.000 1.516 168 K HN -0.125 nan 8.250 nan 0.000 0.674 169 R N 1.018 121.359 120.500 -0.264 0.000 2.543 169 R HA 0.174 4.515 4.340 0.001 0.000 0.268 169 R C -0.042 176.139 176.300 -0.197 0.000 1.067 169 R CA -0.715 55.226 56.100 -0.265 0.000 1.142 169 R CB 0.420 30.458 30.300 -0.437 0.000 1.110 169 R HN 0.476 nan 8.270 nan 0.000 0.549 170 N N 2.563 121.175 118.700 -0.147 0.000 2.497 170 N HA 0.002 4.743 4.740 0.001 0.000 0.268 170 N C -1.632 173.839 175.510 -0.065 0.000 1.171 170 N CA -1.250 51.744 53.050 -0.093 0.000 0.948 170 N CB 1.056 39.508 38.487 -0.057 0.000 1.069 170 N HN 0.323 nan 8.380 nan 0.000 0.460 171 P HA -0.192 nan 4.420 nan 0.000 0.218 171 P C 0.847 178.138 177.300 -0.015 0.000 1.146 171 P CA 1.488 64.554 63.100 -0.056 0.000 0.813 171 P CB 0.455 32.110 31.700 -0.075 0.000 0.778 172 Q N -0.102 119.692 119.800 -0.010 0.000 2.252 172 Q HA -0.041 4.299 4.340 0.001 0.000 0.195 172 Q C 2.162 178.175 176.000 0.022 0.000 0.974 172 Q CA 1.604 57.408 55.803 0.001 0.000 0.846 172 Q CB -0.575 28.159 28.738 -0.005 0.000 0.943 172 Q HN 0.167 nan 8.270 nan 0.000 0.516 173 T N -2.771 111.795 114.554 0.020 0.000 2.995 173 T HA -0.116 4.235 4.350 0.001 0.000 0.269 173 T C 0.392 175.149 174.700 0.096 0.000 1.091 173 T CA 1.145 63.266 62.100 0.035 0.000 1.128 173 T CB -0.348 68.527 68.868 0.011 0.000 0.891 173 T HN 0.682 nan 8.240 nan 0.000 0.492 174 H N -0.178 118.864 119.070 -0.047 0.000 2.899 174 H HA -0.104 4.452 4.556 0.001 0.000 0.282 174 H C -0.677 174.623 175.328 -0.047 0.000 1.198 174 H CA 0.598 56.616 56.048 -0.051 0.000 1.140 174 H CB -2.180 27.557 29.762 -0.042 0.000 1.317 174 H HN 0.556 nan 8.280 nan 0.000 0.375 175 L N 0.129 121.311 121.223 -0.069 0.000 2.319 175 L HA 0.437 4.777 4.340 0.001 0.000 0.267 175 L C 0.649 177.452 176.870 -0.111 0.000 1.011 175 L CA -1.382 53.411 54.840 -0.079 0.000 0.818 175 L CB 1.222 43.262 42.059 -0.031 0.000 1.316 175 L HN -0.088 nan 8.230 nan 0.000 0.432 176 K N 1.132 121.472 120.400 -0.100 0.000 2.286 176 K HA 0.136 4.457 4.320 0.001 0.000 0.256 176 K C -0.727 175.827 176.600 -0.076 0.000 0.999 176 K CA 0.009 56.237 56.287 -0.100 0.000 0.908 176 K CB 0.384 32.846 32.500 -0.064 0.000 0.981 176 K HN 0.491 nan 8.250 nan 0.000 0.500 177 D N 1.354 121.707 120.400 -0.078 0.000 2.616 177 D HA 0.157 4.798 4.640 0.001 0.000 0.238 177 D C -1.979 174.303 176.300 -0.030 0.000 1.354 177 D CA -1.740 52.227 54.000 -0.056 0.000 0.970 177 D CB 1.586 42.349 40.800 -0.062 0.000 1.369 177 D HN 0.052 nan 8.370 nan 0.000 0.585 178 P HA -0.118 nan 4.420 nan 0.000 0.215 178 P C 0.758 178.148 177.300 0.150 0.000 1.153 178 P CA 0.935 64.101 63.100 0.110 0.000 0.853 178 P CB 0.740 32.433 31.700 -0.010 0.000 0.788 179 D N -0.569 119.871 120.400 0.066 0.000 2.126 179 D HA -0.169 4.472 4.640 0.001 0.000 0.190 179 D C 2.234 178.571 176.300 0.062 0.000 1.001 179 D CA 1.423 55.458 54.000 0.059 0.000 0.841 179 D CB -0.744 40.084 40.800 0.048 0.000 0.949 179 D HN 0.135 nan 8.370 nan 0.000 0.446 180 M N -0.308 119.296 119.600 0.005 0.000 2.065 180 M HA -0.179 4.301 4.480 0.001 0.000 0.259 180 M C 2.279 178.508 176.300 -0.119 0.000 1.071 180 M CA 1.007 56.280 55.300 -0.045 0.000 1.109 180 M CB -0.351 32.185 32.600 -0.107 0.000 1.313 180 M HN -0.054 nan 8.290 nan 0.000 0.408 181 V N -0.639 119.134 119.914 -0.235 0.000 2.220 181 V HA -0.323 3.797 4.120 0.001 0.000 0.250 181 V C 1.755 177.511 176.094 -0.563 0.000 1.056 181 V CA 2.412 64.370 62.300 -0.570 0.000 1.016 181 V CB -0.819 30.658 31.823 -0.577 0.000 0.639 181 V HN 0.610 nan 8.190 nan 0.000 0.446 182 W N -0.392 120.906 121.300 -0.003 0.000 2.678 182 W HA 0.007 4.667 4.660 0.001 0.000 0.256 182 W C 2.138 178.721 176.519 0.107 0.000 1.280 182 W CA 0.719 58.151 57.345 0.145 0.000 1.345 182 W CB -0.224 29.332 29.460 0.160 0.000 1.118 182 W HN 0.323 nan 8.180 nan 0.000 0.629 183 D N -0.488 120.048 120.400 0.226 0.000 2.234 183 D HA -0.190 4.450 4.640 0.001 0.000 0.205 183 D C 1.754 178.179 176.300 0.208 0.000 0.962 183 D CA 0.931 55.049 54.000 0.196 0.000 0.855 183 D CB -0.182 40.727 40.800 0.182 0.000 0.951 183 D HN 0.100 nan 8.370 nan 0.000 0.500 184 F N -0.597 119.375 119.950 0.036 0.000 2.149 184 F HA 0.005 4.532 4.527 0.001 0.000 0.294 184 F C 1.666 177.568 175.800 0.170 0.000 1.095 184 F CA 0.906 58.928 58.000 0.037 0.000 1.276 184 F CB -0.229 38.717 39.000 -0.090 0.000 1.023 184 F HN -0.021 nan 8.300 nan 0.000 0.480 185 W N 0.410 121.805 121.300 0.159 0.000 2.358 185 W HA -0.132 4.528 4.660 0.001 0.000 0.303 185 W C 3.019 179.548 176.519 0.016 0.000 1.208 185 W CA 1.461 58.849 57.345 0.070 0.000 1.274 185 W CB -1.600 27.922 29.460 0.103 0.000 1.138 185 W HN 0.141 nan 8.180 nan 0.000 0.515 186 S N 0.055 115.954 115.700 0.331 0.000 2.383 186 S HA -0.112 4.358 4.470 0.001 0.000 0.227 186 S C 1.860 176.491 174.600 0.053 0.000 1.026 186 S CA 1.141 59.444 58.200 0.173 0.000 0.981 186 S CB -0.303 63.008 63.200 0.186 0.000 0.818 186 S HN 0.176 nan 8.310 nan 0.000 0.472 187 L N 0.545 121.775 121.223 0.012 0.000 2.478 187 L HA 0.211 4.551 4.340 0.001 0.000 0.223 187 L C 0.489 177.285 176.870 -0.122 0.000 1.140 187 L CA 0.322 55.135 54.840 -0.045 0.000 0.842 187 L CB -0.094 41.940 42.059 -0.042 0.000 0.953 187 L HN 0.067 nan 8.230 nan 0.000 0.452 188 R N 0.342 120.738 120.500 -0.173 0.000 2.547 188 R HA 0.234 4.574 4.340 0.001 0.000 0.280 188 R C -2.049 174.190 176.300 -0.101 0.000 1.630 188 R CA -1.673 54.316 56.100 -0.184 0.000 1.470 188 R CB 0.431 30.501 30.300 -0.384 0.000 1.178 188 R HN -0.127 nan 8.270 nan 0.000 0.591 189 P HA -0.186 nan 4.420 nan 0.000 0.226 189 P C 0.880 178.122 177.300 -0.096 0.000 1.146 189 P CA 0.978 64.015 63.100 -0.106 0.000 0.773 189 P CB 0.361 32.002 31.700 -0.099 0.000 0.772 190 E N 0.940 121.101 120.200 -0.066 0.000 2.267 190 E HA -0.147 4.203 4.350 0.001 0.000 0.197 190 E C 1.537 178.101 176.600 -0.059 0.000 0.998 190 E CA 1.617 57.987 56.400 -0.049 0.000 0.830 190 E CB -1.000 28.691 29.700 -0.015 0.000 0.751 190 E HN 0.376 nan 8.360 nan 0.000 0.491 191 S N 0.784 116.442 115.700 -0.069 0.000 2.489 191 S HA 0.025 4.496 4.470 0.001 0.000 0.228 191 S C 2.112 176.583 174.600 -0.215 0.000 0.995 191 S CA 0.042 58.172 58.200 -0.115 0.000 0.934 191 S CB -0.561 62.601 63.200 -0.063 0.000 0.771 191 S HN 0.185 nan 8.310 nan 0.000 0.522 192 L N 1.130 122.248 121.223 -0.175 0.000 2.030 192 L HA -0.288 4.053 4.340 0.001 0.000 0.222 192 L C 3.023 179.869 176.870 -0.040 0.000 1.082 192 L CA 2.272 57.026 54.840 -0.143 0.000 0.785 192 L CB -0.806 41.177 42.059 -0.127 0.000 0.895 192 L HN 0.435 nan 8.230 nan 0.000 0.439 193 H N -0.288 118.673 119.070 -0.180 0.000 2.251 193 H HA -0.247 4.309 4.556 0.001 0.000 0.294 193 H C 2.190 177.307 175.328 -0.352 0.000 1.078 193 H CA 2.346 58.251 56.048 -0.238 0.000 1.246 193 H CB -0.234 29.375 29.762 -0.254 0.000 1.358 193 H HN 0.270 nan 8.280 nan 0.000 0.488 194 Q N 0.343 119.920 119.800 -0.372 0.000 2.224 194 Q HA -0.048 4.293 4.340 0.001 0.000 0.203 194 Q C 2.465 178.140 176.000 -0.542 0.000 0.970 194 Q CA 1.260 56.659 55.803 -0.673 0.000 0.865 194 Q CB -0.547 27.450 28.738 -1.236 0.000 0.922 194 Q HN 0.286 nan 8.270 nan 0.000 0.445 195 V N 0.016 119.694 119.914 -0.394 0.000 2.255 195 V HA -0.298 3.822 4.120 0.001 0.000 0.247 195 V C 2.152 178.349 176.094 0.172 0.000 1.051 195 V CA 2.117 64.301 62.300 -0.193 0.000 1.018 195 V CB -0.769 30.889 31.823 -0.275 0.000 0.641 195 V HN 0.413 nan 8.190 nan 0.000 0.445 196 S N -0.697 115.129 115.700 0.209 0.000 2.419 196 S HA -0.219 4.251 4.470 0.001 0.000 0.235 196 S C 1.713 176.456 174.600 0.239 0.000 1.019 196 S CA 1.824 60.243 58.200 0.364 0.000 0.982 196 S CB -0.459 62.969 63.200 0.381 0.000 0.789 196 S HN 0.604 nan 8.310 nan 0.000 0.490 197 F N 1.048 120.892 119.950 -0.177 0.000 2.335 197 F HA 0.136 4.663 4.527 0.001 0.000 0.296 197 F C 1.788 177.551 175.800 -0.062 0.000 1.091 197 F CA 0.381 58.265 58.000 -0.193 0.000 1.399 197 F CB -0.097 38.658 39.000 -0.408 0.000 1.067 197 F HN 0.119 nan 8.300 nan 0.000 0.520 198 L N -0.651 120.638 121.223 0.110 0.000 2.044 198 L HA -0.074 4.267 4.340 0.001 0.000 0.205 198 L C 1.446 178.250 176.870 -0.110 0.000 1.075 198 L CA 1.916 56.756 54.840 -0.001 0.000 0.747 198 L CB -0.930 41.108 42.059 -0.036 0.000 0.903 198 L HN 0.050 nan 8.230 nan 0.000 0.435 199 F N -0.863 119.168 119.950 0.135 0.000 2.769 199 F HA 0.169 4.696 4.527 0.001 0.000 0.304 199 F C 1.559 177.430 175.800 0.120 0.000 1.158 199 F CA 0.212 58.302 58.000 0.151 0.000 1.398 199 F CB -0.364 38.757 39.000 0.202 0.000 1.094 199 F HN 0.064 nan 8.300 nan 0.000 0.553 200 S N -0.448 115.358 115.700 0.176 0.000 2.694 200 S HA 0.111 4.582 4.470 0.001 0.000 0.278 200 S C 1.206 175.812 174.600 0.010 0.000 1.152 200 S CA -0.537 57.724 58.200 0.101 0.000 1.010 200 S CB 0.799 64.037 63.200 0.063 0.000 1.104 200 S HN 0.138 nan 8.310 nan 0.000 0.547 201 D N 0.707 121.093 120.400 -0.024 0.000 2.158 201 D HA -0.057 4.583 4.640 0.001 0.000 0.197 201 D C 1.960 178.234 176.300 -0.044 0.000 0.995 201 D CA 1.165 55.151 54.000 -0.024 0.000 0.846 201 D CB -0.132 40.651 40.800 -0.029 0.000 0.941 201 D HN 0.302 nan 8.370 nan 0.000 0.456 202 R N 0.316 120.735 120.500 -0.135 0.000 2.200 202 R HA -0.020 4.320 4.340 0.001 0.000 0.234 202 R C 2.180 178.472 176.300 -0.013 0.000 1.127 202 R CA 1.025 57.058 56.100 -0.112 0.000 0.989 202 R CB -1.063 29.011 30.300 -0.376 0.000 0.869 202 R HN 0.265 nan 8.270 nan 0.000 0.459 203 G N 0.509 109.289 108.800 -0.034 0.000 2.656 203 G HA2 -0.250 3.711 3.960 0.001 0.000 0.223 203 G HA3 -0.250 3.711 3.960 0.001 0.000 0.223 203 G C 0.442 175.361 174.900 0.030 0.000 1.130 203 G CA 1.468 46.562 45.100 -0.009 0.000 0.758 203 G HN 0.390 nan 8.290 nan 0.000 0.608 204 I N 1.518 122.113 120.570 0.042 0.000 2.542 204 I HA 0.279 4.450 4.170 0.001 0.000 0.278 204 I C -2.545 173.618 176.117 0.077 0.000 1.069 204 I CA -2.256 59.080 61.300 0.060 0.000 1.100 204 I CB 2.616 40.639 38.000 0.039 0.000 1.204 204 I HN -0.124 nan 8.210 nan 0.000 0.470 205 P HA 0.058 nan 4.420 nan 0.000 0.274 205 P C -0.746 176.631 177.300 0.129 0.000 1.231 205 P CA -0.105 63.073 63.100 0.130 0.000 0.790 205 P CB 1.126 32.925 31.700 0.165 0.000 0.951 206 D N 1.272 121.767 120.400 0.158 0.000 2.422 206 D HA 0.409 5.050 4.640 0.001 0.000 0.227 206 D C 0.788 177.217 176.300 0.215 0.000 1.190 206 D CA 0.743 54.879 54.000 0.225 0.000 0.905 206 D CB -0.730 40.195 40.800 0.209 0.000 1.034 206 D HN 0.692 nan 8.370 nan 0.000 0.507 207 G N 3.563 112.434 108.800 0.118 0.000 2.828 207 G HA2 -0.257 3.704 3.960 0.001 0.000 0.463 207 G HA3 -0.257 3.704 3.960 0.001 0.000 0.463 207 G C 0.622 175.345 174.900 -0.295 0.000 1.394 207 G CA -0.333 44.632 45.100 -0.225 0.000 0.862 207 G HN 0.607 nan 8.290 nan 0.000 0.540 208 H N 0.359 119.271 119.070 -0.264 0.000 2.465 208 H HA 0.082 4.639 4.556 0.001 0.000 0.289 208 H C 2.783 177.867 175.328 -0.406 0.000 1.022 208 H CA 1.222 56.959 56.048 -0.517 0.000 1.340 208 H CB 0.092 29.129 29.762 -1.209 0.000 1.437 208 H HN 0.543 nan 8.280 nan 0.000 0.539 209 R N 0.585 120.931 120.500 -0.255 0.000 2.159 209 R HA -0.085 4.255 4.340 0.001 0.000 0.237 209 R C 0.365 176.457 176.300 -0.346 0.000 1.131 209 R CA 0.835 56.761 56.100 -0.288 0.000 0.982 209 R CB -0.032 29.961 30.300 -0.511 0.000 0.868 209 R HN 0.396 nan 8.270 nan 0.000 0.453 210 H N 0.238 119.314 119.070 0.010 0.000 2.591 210 H HA 0.213 4.769 4.556 0.001 0.000 0.302 210 H C 0.147 175.557 175.328 0.137 0.000 1.163 210 H CA 0.058 56.128 56.048 0.038 0.000 1.049 210 H CB -0.284 29.491 29.762 0.022 0.000 1.543 210 H HN 0.235 nan 8.280 nan 0.000 0.523 211 M N -1.504 118.296 119.600 0.333 0.000 2.550 211 M HA 0.517 4.997 4.480 0.001 0.000 0.292 211 M C -1.499 175.154 176.300 0.587 0.000 1.221 211 M CA -1.041 54.499 55.300 0.399 0.000 0.873 211 M CB 2.753 35.556 32.600 0.339 0.000 1.727 211 M HN -0.311 nan 8.290 nan 0.000 0.459 212 D N 1.439 122.138 120.400 0.498 0.000 2.225 212 D HA 0.621 5.261 4.640 0.001 0.000 0.249 212 D C -0.299 176.114 176.300 0.188 0.000 1.052 212 D CA 0.222 54.456 54.000 0.390 0.000 0.909 212 D CB 1.965 42.930 40.800 0.275 0.000 1.186 212 D HN 0.858 nan 8.370 nan 0.000 0.431 213 G N 0.675 109.194 108.800 -0.469 0.000 2.371 213 G HA2 0.540 4.500 3.960 0.001 0.000 0.326 213 G HA3 0.540 4.500 3.960 0.001 0.000 0.326 213 G C -1.361 172.550 174.900 -1.647 0.000 1.127 213 G CA -0.351 43.869 45.100 -1.467 0.000 0.885 213 G HN 0.354 nan 8.290 nan 0.000 0.477 214 Y N -0.102 119.704 120.300 -0.824 0.000 2.433 214 Y HA 0.419 4.969 4.550 0.001 0.000 0.337 214 Y C 1.128 176.967 175.900 -0.101 0.000 1.026 214 Y CA -0.562 57.315 58.100 -0.371 0.000 1.037 214 Y CB 2.675 40.943 38.460 -0.320 0.000 1.245 214 Y HN 0.632 nan 8.280 nan 0.000 0.443 215 G N 0.374 109.300 108.800 0.211 0.000 2.650 215 G HA2 0.075 4.035 3.960 0.001 0.000 0.214 215 G HA3 0.075 4.035 3.960 0.001 0.000 0.214 215 G C 0.953 175.971 174.900 0.197 0.000 1.136 215 G CA 0.937 46.177 45.100 0.232 0.000 0.789 215 G HN 0.744 nan 8.290 nan 0.000 0.536 216 S N -0.869 114.853 115.700 0.036 0.000 2.557 216 S HA -0.256 4.214 4.470 0.001 0.000 0.240 216 S C 1.001 175.461 174.600 -0.233 0.000 1.210 216 S CA 1.338 59.431 58.200 -0.179 0.000 2.526 216 S CB -1.294 61.724 63.200 -0.304 0.000 1.373 216 S HN 0.673 nan 8.310 nan 0.000 0.497 217 H N 1.966 120.967 119.070 -0.116 0.000 2.871 217 H HA 0.217 4.774 4.556 0.001 0.000 0.377 217 H C 0.491 175.537 175.328 -0.470 0.000 1.307 217 H CA 1.162 56.996 56.048 -0.358 0.000 1.449 217 H CB -0.023 29.373 29.762 -0.611 0.000 1.452 217 H HN 0.409 nan 8.280 nan 0.000 0.619 218 T N 2.919 117.232 114.554 -0.402 0.000 2.771 218 T HA 0.314 4.665 4.350 0.001 0.000 0.291 218 T C 0.004 174.448 174.700 -0.426 0.000 0.954 218 T CA -0.225 61.656 62.100 -0.365 0.000 1.045 218 T CB 0.039 68.791 68.868 -0.194 0.000 0.917 218 T HN 0.208 nan 8.240 nan 0.000 0.484 219 F N 1.263 121.262 119.950 0.082 0.000 2.629 219 F HA 0.638 5.166 4.527 0.001 0.000 0.386 219 F C 0.648 176.597 175.800 0.249 0.000 1.135 219 F CA -1.136 56.968 58.000 0.173 0.000 1.116 219 F CB 1.123 40.291 39.000 0.279 0.000 1.426 219 F HN 0.129 nan 8.300 nan 0.000 0.501 220 K N 1.483 122.157 120.400 0.456 0.000 2.443 220 K HA 0.572 4.893 4.320 0.001 0.000 0.252 220 K C -1.751 174.962 176.600 0.188 0.000 0.933 220 K CA -0.355 56.111 56.287 0.299 0.000 0.792 220 K CB 1.666 34.321 32.500 0.258 0.000 1.185 220 K HN 0.538 nan 8.250 nan 0.000 0.425 221 L N 3.005 124.292 121.223 0.105 0.000 2.330 221 L HA 0.654 4.994 4.340 0.001 0.000 0.271 221 L C -0.730 176.165 176.870 0.041 0.000 1.013 221 L CA -1.261 53.629 54.840 0.082 0.000 0.816 221 L CB 2.112 44.219 42.059 0.080 0.000 1.287 221 L HN 0.269 nan 8.230 nan 0.000 0.435 222 V N 1.090 121.033 119.914 0.048 0.000 2.655 222 V HA 0.232 4.352 4.120 0.001 0.000 0.301 222 V C -0.661 175.466 176.094 0.056 0.000 1.082 222 V CA -1.026 61.295 62.300 0.034 0.000 0.899 222 V CB 1.951 33.795 31.823 0.034 0.000 1.014 222 V HN 0.920 nan 8.190 nan 0.000 0.429 223 N N 3.517 122.254 118.700 0.062 0.000 2.379 223 N HA 0.477 5.217 4.740 0.001 0.000 0.260 223 N C 0.970 176.503 175.510 0.037 0.000 1.254 223 N CA -0.089 52.993 53.050 0.055 0.000 0.958 223 N CB 0.838 39.353 38.487 0.045 0.000 1.208 223 N HN 0.684 nan 8.380 nan 0.000 0.532 224 A N -1.414 121.422 122.820 0.027 0.000 2.264 224 A HA -0.081 4.239 4.320 0.001 0.000 0.207 224 A C 0.944 178.538 177.584 0.017 0.000 1.196 224 A CA 0.738 52.786 52.037 0.018 0.000 0.778 224 A CB -0.721 18.286 19.000 0.012 0.000 0.779 224 A HN 0.718 nan 8.150 nan 0.000 0.483 225 D N -1.542 118.870 120.400 0.020 0.000 2.433 225 D HA 0.223 4.863 4.640 0.001 0.000 0.211 225 D C 1.279 177.593 176.300 0.023 0.000 1.114 225 D CA 0.863 54.871 54.000 0.014 0.000 0.837 225 D CB 0.322 41.126 40.800 0.006 0.000 0.984 225 D HN 0.480 nan 8.370 nan 0.000 0.505 226 G N 1.673 110.499 108.800 0.043 0.000 2.148 226 G HA2 -0.278 3.683 3.960 0.001 0.000 0.254 226 G HA3 -0.278 3.683 3.960 0.001 0.000 0.254 226 G C 0.042 175.001 174.900 0.098 0.000 0.981 226 G CA 0.190 45.336 45.100 0.076 0.000 0.670 226 G HN 0.398 nan 8.290 nan 0.000 0.528 227 E N 0.358 120.587 120.200 0.049 0.000 2.227 227 E HA 0.655 5.005 4.350 0.001 0.000 0.282 227 E C 0.390 176.981 176.600 -0.016 0.000 1.015 227 E CA 0.173 56.582 56.400 0.015 0.000 0.823 227 E CB 1.538 31.245 29.700 0.012 0.000 1.081 227 E HN 0.655 nan 8.360 nan 0.000 0.396 228 A N 2.674 125.413 122.820 -0.135 0.000 2.356 228 A HA 0.749 5.069 4.320 0.001 0.000 0.323 228 A C -1.114 176.527 177.584 0.095 0.000 1.119 228 A CA -0.696 51.236 52.037 -0.176 0.000 0.790 228 A CB 1.761 20.321 19.000 -0.733 0.000 1.273 228 A HN 0.422 nan 8.150 nan 0.000 0.452 229 V N 1.656 121.620 119.914 0.084 0.000 3.012 229 V HA 0.566 4.687 4.120 0.001 0.000 0.307 229 V C -1.881 174.160 176.094 -0.088 0.000 1.166 229 V CA -0.709 61.613 62.300 0.037 0.000 0.974 229 V CB 1.861 33.730 31.823 0.077 0.000 1.040 229 V HN 0.809 nan 8.190 nan 0.000 0.428 230 Y N 4.712 124.985 120.300 -0.046 0.000 2.346 230 Y HA 0.622 5.173 4.550 0.001 0.000 0.330 230 Y C 0.774 176.755 175.900 0.135 0.000 1.178 230 Y CA 0.082 58.198 58.100 0.027 0.000 1.331 230 Y CB 0.976 39.438 38.460 0.003 0.000 1.253 230 Y HN 0.979 nan 8.280 nan 0.000 0.529 231 C N 1.230 120.732 119.300 0.337 0.000 3.259 231 C HA 0.934 5.394 4.460 0.001 0.000 0.328 231 C C -1.128 173.809 174.990 -0.089 0.000 1.425 231 C CA -1.303 57.799 59.018 0.141 0.000 1.465 231 C CB 1.800 29.433 27.740 -0.179 0.000 1.890 231 C HN 0.854 nan 8.230 nan 0.000 0.450 232 K N 0.339 120.608 120.400 -0.218 0.000 2.553 232 K HA 0.675 4.996 4.320 0.001 0.000 0.250 232 K C -1.648 174.901 176.600 -0.084 0.000 0.953 232 K CA -0.075 56.069 56.287 -0.238 0.000 0.800 232 K CB 1.131 33.371 32.500 -0.434 0.000 1.243 232 K HN 0.616 nan 8.250 nan 0.000 0.435 233 F N 2.811 122.846 119.950 0.142 0.000 2.385 233 F HA 0.408 4.935 4.527 0.001 0.000 0.336 233 F C 0.544 176.400 175.800 0.094 0.000 1.100 233 F CA -0.129 57.976 58.000 0.176 0.000 1.116 233 F CB 1.063 40.117 39.000 0.091 0.000 1.166 233 F HN 0.302 nan 8.300 nan 0.000 0.511 234 H N 2.791 122.069 119.070 0.347 0.000 3.018 234 H HA 0.178 4.735 4.556 0.001 0.000 0.334 234 H C -1.569 173.951 175.328 0.320 0.000 0.983 234 H CA -0.808 55.321 56.048 0.135 0.000 1.363 234 H CB 1.483 31.275 29.762 0.050 0.000 1.668 234 H HN 0.556 nan 8.280 nan 0.000 0.513 235 Y N 0.871 121.172 120.300 0.003 0.000 2.712 235 Y HA 0.400 4.950 4.550 0.001 0.000 0.328 235 Y C 0.029 176.087 175.900 0.264 0.000 0.995 235 Y CA -1.461 56.705 58.100 0.109 0.000 1.283 235 Y CB 0.020 38.410 38.460 -0.116 0.000 1.092 235 Y HN 0.170 nan 8.280 nan 0.000 0.519 236 K N 1.257 121.915 120.400 0.429 0.000 2.270 236 K HA 0.239 4.559 4.320 0.001 0.000 0.276 236 K C 0.442 177.311 176.600 0.448 0.000 1.023 236 K CA -0.510 56.009 56.287 0.387 0.000 0.955 236 K CB 1.151 33.824 32.500 0.289 0.000 0.975 236 K HN 0.680 nan 8.250 nan 0.000 0.471 237 T N 0.876 115.620 114.554 0.317 0.000 2.926 237 T HA -0.002 4.349 4.350 0.001 0.000 0.307 237 T C 0.288 174.919 174.700 -0.116 0.000 1.059 237 T CA -0.272 61.698 62.100 -0.217 0.000 1.122 237 T CB 0.307 69.082 68.868 -0.156 0.000 0.972 237 T HN 0.411 nan 8.240 nan 0.000 0.545 238 D N 3.066 123.310 120.400 -0.260 0.000 2.363 238 D HA 0.119 4.760 4.640 0.001 0.000 0.214 238 D C 0.872 177.118 176.300 -0.089 0.000 1.093 238 D CA 0.172 54.115 54.000 -0.096 0.000 0.837 238 D CB 0.662 41.425 40.800 -0.062 0.000 0.948 238 D HN 0.490 nan 8.370 nan 0.000 0.507 239 Q N 0.101 119.828 119.800 -0.121 0.000 2.198 239 Q HA 0.389 4.730 4.340 0.001 0.000 0.209 239 Q C 0.615 176.720 176.000 0.174 0.000 0.848 239 Q CA -0.206 55.614 55.803 0.029 0.000 0.974 239 Q CB 0.944 29.651 28.738 -0.051 0.000 1.115 239 Q HN 0.150 nan 8.270 nan 0.000 0.494 240 G N 0.861 109.713 108.800 0.086 0.000 2.797 240 G HA2 -0.260 3.700 3.960 0.001 0.000 0.686 240 G HA3 -0.260 3.700 3.960 0.001 0.000 0.686 240 G C -0.418 174.549 174.900 0.112 0.000 1.452 240 G CA -0.741 44.403 45.100 0.074 0.000 0.986 240 G HN 0.264 nan 8.290 nan 0.000 0.595 241 I N 1.352 121.980 120.570 0.097 0.000 2.588 241 I HA 0.375 4.545 4.170 0.001 0.000 0.283 241 I C 0.771 176.910 176.117 0.037 0.000 1.119 241 I CA 0.427 61.799 61.300 0.121 0.000 1.419 241 I CB 1.134 39.212 38.000 0.131 0.000 1.394 241 I HN 0.526 nan 8.210 nan 0.000 0.562 242 K N 6.165 126.600 120.400 0.058 0.000 2.615 242 K HA 0.348 4.669 4.320 0.001 0.000 0.249 242 K C -1.327 175.307 176.600 0.058 0.000 0.977 242 K CA -0.660 55.614 56.287 -0.022 0.000 0.833 242 K CB 1.173 33.530 32.500 -0.239 0.000 1.208 242 K HN 0.566 nan 8.250 nan 0.000 0.443 243 N N 3.110 121.833 118.700 0.038 0.000 2.502 243 N HA 0.504 5.244 4.740 0.001 0.000 0.280 243 N C -0.636 174.893 175.510 0.031 0.000 1.223 243 N CA -0.469 52.610 53.050 0.048 0.000 0.966 243 N CB 1.055 39.561 38.487 0.032 0.000 1.203 243 N HN 0.401 nan 8.380 nan 0.000 0.565 244 L N 0.734 121.973 121.223 0.027 0.000 2.362 244 L HA 0.300 4.641 4.340 0.001 0.000 0.275 244 L C 0.430 177.300 176.870 -0.001 0.000 0.998 244 L CA -0.849 53.991 54.840 0.000 0.000 0.820 244 L CB 1.765 43.808 42.059 -0.026 0.000 1.270 244 L HN 0.586 nan 8.230 nan 0.000 0.415 245 S N 1.203 116.899 115.700 -0.006 0.000 2.558 245 S HA 0.052 4.522 4.470 0.001 0.000 0.288 245 S C 1.364 175.971 174.600 0.012 0.000 1.318 245 S CA -0.877 57.327 58.200 0.006 0.000 1.056 245 S CB 1.148 64.349 63.200 0.001 0.000 0.853 245 S HN 0.376 nan 8.310 nan 0.000 0.505 246 V N 2.277 122.212 119.914 0.034 0.000 2.370 246 V HA -0.248 3.872 4.120 0.001 0.000 0.252 246 V C 2.619 178.736 176.094 0.040 0.000 1.068 246 V CA 2.394 64.725 62.300 0.051 0.000 1.061 246 V CB -1.320 30.550 31.823 0.078 0.000 0.656 246 V HN 0.934 nan 8.190 nan 0.000 0.455 247 E N -0.091 120.127 120.200 0.029 0.000 2.001 247 E HA -0.212 4.139 4.350 0.001 0.000 0.195 247 E C 2.158 178.758 176.600 0.001 0.000 1.002 247 E CA 1.466 57.880 56.400 0.023 0.000 0.819 247 E CB -0.266 29.445 29.700 0.017 0.000 0.769 247 E HN 0.611 nan 8.360 nan 0.000 0.454 248 D N 0.376 120.761 120.400 -0.025 0.000 2.126 248 D HA -0.231 4.409 4.640 0.001 0.000 0.190 248 D C 1.912 178.151 176.300 -0.101 0.000 1.001 248 D CA 1.438 55.395 54.000 -0.071 0.000 0.841 248 D CB -0.262 40.485 40.800 -0.090 0.000 0.949 248 D HN 0.168 nan 8.370 nan 0.000 0.446 249 A N 1.449 124.222 122.820 -0.078 0.000 1.896 249 A HA -0.239 4.081 4.320 0.001 0.000 0.220 249 A C 2.386 179.946 177.584 -0.040 0.000 1.206 249 A CA 3.121 55.114 52.037 -0.074 0.000 0.647 249 A CB -0.916 18.072 19.000 -0.020 0.000 0.828 249 A HN 0.309 nan 8.150 nan 0.000 0.455 250 A N -1.006 121.820 122.820 0.010 0.000 1.969 250 A HA -0.102 4.218 4.320 0.001 0.000 0.218 250 A C 2.214 179.858 177.584 0.101 0.000 1.169 250 A CA 1.704 53.779 52.037 0.064 0.000 0.635 250 A CB -0.442 18.605 19.000 0.078 0.000 0.810 250 A HN 0.617 nan 8.150 nan 0.000 0.445 251 R N -0.756 119.757 120.500 0.022 0.000 2.057 251 R HA -0.067 4.273 4.340 0.001 0.000 0.229 251 R C 1.805 177.955 176.300 -0.249 0.000 1.136 251 R CA 1.482 57.555 56.100 -0.045 0.000 0.952 251 R CB -0.419 29.846 30.300 -0.057 0.000 0.848 251 R HN 0.355 nan 8.270 nan 0.000 0.430 252 L N 1.223 122.317 121.223 -0.215 0.000 2.042 252 L HA -0.126 4.214 4.340 0.001 0.000 0.210 252 L C 2.607 179.378 176.870 -0.165 0.000 1.076 252 L CA 2.001 56.687 54.840 -0.256 0.000 0.749 252 L CB -0.950 40.854 42.059 -0.425 0.000 0.893 252 L HN 0.340 nan 8.230 nan 0.000 0.432 253 A N 0.051 122.821 122.820 -0.083 0.000 1.906 253 A HA -0.335 3.985 4.320 0.001 0.000 0.222 253 A C 2.286 179.894 177.584 0.040 0.000 1.282 253 A CA 2.648 54.693 52.037 0.012 0.000 0.675 253 A CB -1.162 17.882 19.000 0.072 0.000 0.838 253 A HN 0.731 nan 8.150 nan 0.000 0.469 254 H N -2.216 116.855 119.070 0.002 0.000 2.520 254 H HA 0.233 4.789 4.556 0.001 0.000 0.279 254 H C 1.695 177.030 175.328 0.011 0.000 0.990 254 H CA 0.868 56.922 56.048 0.009 0.000 1.288 254 H CB -0.281 29.485 29.762 0.008 0.000 1.446 254 H HN 0.642 nan 8.280 nan 0.000 0.538 255 E N 0.663 120.502 120.200 -0.601 0.000 2.047 255 E HA -0.110 4.240 4.350 0.001 0.000 0.191 255 E C -0.074 176.456 176.600 -0.118 0.000 0.987 255 E CA 1.228 57.415 56.400 -0.354 0.000 0.799 255 E CB 0.275 29.760 29.700 -0.359 0.000 0.752 255 E HN 0.307 nan 8.360 nan 0.000 0.449 256 D N -1.368 118.985 120.400 -0.078 0.000 2.429 256 D HA 0.138 4.779 4.640 0.001 0.000 0.255 256 D C -2.263 174.068 176.300 0.053 0.000 1.257 256 D CA -1.902 52.110 54.000 0.019 0.000 0.890 256 D CB 1.134 41.986 40.800 0.087 0.000 1.267 256 D HN -0.232 nan 8.370 nan 0.000 0.521 257 P HA -0.078 nan 4.420 nan 0.000 0.217 257 P C 0.108 177.457 177.300 0.082 0.000 1.148 257 P CA 0.984 64.119 63.100 0.058 0.000 0.828 257 P CB 0.279 32.009 31.700 0.050 0.000 0.783 258 D N -2.359 118.086 120.400 0.075 0.000 2.561 258 D HA 0.002 4.642 4.640 0.001 0.000 0.232 258 D C 1.223 177.578 176.300 0.092 0.000 1.198 258 D CA -0.304 53.739 54.000 0.071 0.000 0.826 258 D CB -0.562 40.250 40.800 0.020 0.000 0.992 258 D HN 0.205 nan 8.370 nan 0.000 0.490 259 Y N 2.157 122.451 120.300 -0.010 0.000 2.014 259 Y HA -0.263 4.287 4.550 0.001 0.000 0.272 259 Y C 2.414 178.287 175.900 -0.045 0.000 1.164 259 Y CA 2.402 60.487 58.100 -0.024 0.000 1.114 259 Y CB -0.573 37.866 38.460 -0.035 0.000 0.961 259 Y HN 0.091 nan 8.280 nan 0.000 0.489 260 G N 0.150 108.907 108.800 -0.072 0.000 2.485 260 G HA2 -0.284 3.676 3.960 0.001 0.000 0.221 260 G HA3 -0.284 3.676 3.960 0.001 0.000 0.221 260 G C 1.575 176.343 174.900 -0.219 0.000 1.115 260 G CA 1.060 45.930 45.100 -0.383 0.000 0.751 260 G HN 0.467 nan 8.290 nan 0.000 0.567 261 L N 0.873 122.104 121.223 0.014 0.000 1.973 261 L HA 0.030 4.371 4.340 0.001 0.000 0.208 261 L C 3.000 179.925 176.870 0.092 0.000 1.073 261 L CA 2.407 57.324 54.840 0.128 0.000 0.746 261 L CB -0.479 41.634 42.059 0.091 0.000 0.891 261 L HN 0.368 nan 8.230 nan 0.000 0.433 262 R N -0.724 119.787 120.500 0.020 0.000 2.148 262 R HA -0.175 4.165 4.340 0.001 0.000 0.223 262 R C 1.900 178.226 176.300 0.043 0.000 1.088 262 R CA 1.565 57.705 56.100 0.066 0.000 0.985 262 R CB -0.859 29.458 30.300 0.028 0.000 0.880 262 R HN 0.486 nan 8.270 nan 0.000 0.451 263 D N 0.692 121.009 120.400 -0.139 0.000 2.133 263 D HA -0.221 4.420 4.640 0.001 0.000 0.195 263 D C 1.796 178.060 176.300 -0.059 0.000 0.997 263 D CA 1.227 55.109 54.000 -0.197 0.000 0.840 263 D CB 0.020 40.554 40.800 -0.442 0.000 0.947 263 D HN 0.290 nan 8.370 nan 0.000 0.452 264 L N -0.615 120.618 121.223 0.016 0.000 2.005 264 L HA 0.025 4.366 4.340 0.001 0.000 0.207 264 L C 2.035 179.015 176.870 0.183 0.000 1.072 264 L CA 1.594 56.502 54.840 0.114 0.000 0.744 264 L CB -1.359 40.838 42.059 0.229 0.000 0.895 264 L HN 0.146 nan 8.230 nan 0.000 0.433 265 F N 0.967 120.974 119.950 0.095 0.000 2.025 265 F HA -0.313 4.215 4.527 0.001 0.000 0.297 265 F C 2.452 178.313 175.800 0.102 0.000 1.132 265 F CA 2.262 60.333 58.000 0.118 0.000 1.191 265 F CB -0.600 38.466 39.000 0.110 0.000 0.963 265 F HN 0.269 nan 8.300 nan 0.000 0.481 266 N N 0.806 119.641 118.700 0.224 0.000 2.094 266 N HA -0.236 4.505 4.740 0.001 0.000 0.191 266 N C 1.987 177.496 175.510 -0.003 0.000 1.023 266 N CA 1.531 54.640 53.050 0.097 0.000 0.857 266 N CB -1.053 37.507 38.487 0.123 0.000 1.013 266 N HN 0.443 nan 8.380 nan 0.000 0.426 267 A N 1.916 124.741 122.820 0.009 0.000 1.859 267 A HA -0.172 4.148 4.320 0.001 0.000 0.218 267 A C 2.363 179.947 177.584 -0.001 0.000 1.209 267 A CA 1.532 53.564 52.037 -0.008 0.000 0.639 267 A CB -1.027 17.971 19.000 -0.003 0.000 0.835 267 A HN 0.263 nan 8.150 nan 0.000 0.450 268 I N -0.484 120.116 120.570 0.051 0.000 2.335 268 I HA -0.293 3.878 4.170 0.001 0.000 0.251 268 I C 2.875 179.032 176.117 0.068 0.000 1.129 268 I CA 0.947 62.352 61.300 0.174 0.000 1.402 268 I CB -0.323 37.757 38.000 0.133 0.000 1.069 268 I HN 0.430 nan 8.210 nan 0.000 0.424 269 A N 0.656 123.388 122.820 -0.145 0.000 1.854 269 A HA -0.177 4.143 4.320 0.001 0.000 0.214 269 A C 2.222 179.761 177.584 -0.076 0.000 1.192 269 A CA 1.925 53.862 52.037 -0.166 0.000 0.611 269 A CB -1.134 17.709 19.000 -0.261 0.000 0.832 269 A HN 0.471 nan 8.150 nan 0.000 0.442 270 T N -2.760 111.752 114.554 -0.071 0.000 3.496 270 T HA 0.349 4.700 4.350 0.001 0.000 0.253 270 T C 1.287 175.898 174.700 -0.148 0.000 1.134 270 T CA 0.995 63.051 62.100 -0.073 0.000 0.993 270 T CB -0.922 67.918 68.868 -0.046 0.000 1.018 270 T HN 1.723 nan 8.240 nan 0.000 0.571 271 G N 1.834 110.506 108.800 -0.214 0.000 2.186 271 G HA2 -0.368 3.592 3.960 0.001 0.000 0.266 271 G HA3 -0.368 3.592 3.960 0.001 0.000 0.266 271 G C 0.238 174.661 174.900 -0.795 0.000 0.982 271 G CA 0.366 45.139 45.100 -0.546 0.000 0.670 271 G HN 0.732 nan 8.290 nan 0.000 0.533 272 N N 0.275 118.728 118.700 -0.411 0.000 3.250 272 N HA 0.335 5.075 4.740 0.001 0.000 0.307 272 N C 0.062 175.489 175.510 -0.137 0.000 1.355 272 N CA -0.760 52.130 53.050 -0.267 0.000 1.192 272 N CB -0.106 38.304 38.487 -0.129 0.000 1.478 272 N HN 0.285 nan 8.380 nan 0.000 0.543 273 Y N 0.504 120.807 120.300 0.005 0.000 2.810 273 Y HA 0.055 4.605 4.550 0.001 0.000 0.332 273 Y C -1.748 174.153 175.900 0.001 0.000 1.243 273 Y CA -1.952 56.162 58.100 0.024 0.000 1.537 273 Y CB -0.605 37.887 38.460 0.053 0.000 1.265 273 Y HN 0.372 nan 8.280 nan 0.000 0.572 274 P HA 0.350 nan 4.420 nan 0.000 0.274 274 P C -0.620 176.695 177.300 0.025 0.000 1.246 274 P CA -0.563 62.526 63.100 -0.017 0.000 0.795 274 P CB 1.348 33.089 31.700 0.068 0.000 1.006 275 S N 0.127 115.638 115.700 -0.314 0.000 2.537 275 S HA 0.646 5.117 4.470 0.001 0.000 0.271 275 S C -2.241 172.278 174.600 -0.135 0.000 1.148 275 S CA -0.690 57.518 58.200 0.013 0.000 0.868 275 S CB 0.677 63.901 63.200 0.041 0.000 1.115 275 S HN 0.396 nan 8.310 nan 0.000 0.461 276 W N 1.567 123.001 121.300 0.223 0.000 3.022 276 W HA 0.385 5.046 4.660 0.001 0.000 0.335 276 W C -0.529 176.123 176.519 0.223 0.000 1.133 276 W CA -0.725 56.780 57.345 0.267 0.000 1.219 276 W CB 1.960 31.651 29.460 0.386 0.000 1.409 276 W HN 0.680 nan 8.180 nan 0.000 0.507 277 T N 3.331 118.137 114.554 0.420 0.000 2.733 277 T HA 0.353 4.704 4.350 0.001 0.000 0.294 277 T C -0.772 174.021 174.700 0.156 0.000 0.956 277 T CA -0.474 61.761 62.100 0.225 0.000 0.987 277 T CB 0.102 69.060 68.868 0.150 0.000 0.920 277 T HN 0.265 nan 8.240 nan 0.000 0.470 278 L N 7.450 128.729 121.223 0.093 0.000 2.313 278 L HA 0.474 4.814 4.340 0.001 0.000 0.282 278 L C -1.332 175.442 176.870 -0.160 0.000 1.092 278 L CA 0.099 55.023 54.840 0.139 0.000 0.831 278 L CB -0.294 41.945 42.059 0.300 0.000 1.159 278 L HN 0.673 nan 8.230 nan 0.000 0.442 279 Y N 5.030 125.453 120.300 0.205 0.000 2.686 279 Y HA 0.767 5.317 4.550 0.001 0.000 0.330 279 Y C -0.032 175.943 175.900 0.126 0.000 1.082 279 Y CA -0.869 57.286 58.100 0.092 0.000 1.158 279 Y CB 1.530 39.996 38.460 0.010 0.000 1.333 279 Y HN 0.505 nan 8.280 nan 0.000 0.519 280 I N -1.642 119.044 120.570 0.193 0.000 2.743 280 I HA 0.479 4.649 4.170 0.001 0.000 0.292 280 I C -1.503 174.633 176.117 0.031 0.000 1.343 280 I CA -1.043 60.285 61.300 0.046 0.000 1.038 280 I CB 2.095 39.988 38.000 -0.178 0.000 1.311 280 I HN 0.514 nan 8.210 nan 0.000 0.426 281 Q N 2.623 122.483 119.800 0.100 0.000 2.185 281 Q HA 0.829 5.170 4.340 0.001 0.000 0.225 281 Q C -1.145 174.964 176.000 0.182 0.000 0.983 281 Q CA -1.032 54.898 55.803 0.212 0.000 0.950 281 Q CB 2.617 31.659 28.738 0.508 0.000 1.176 281 Q HN 0.596 nan 8.270 nan 0.000 0.510 282 V N 1.129 121.134 119.914 0.152 0.000 2.851 282 V HA 0.486 4.606 4.120 0.001 0.000 0.307 282 V C -1.043 174.973 176.094 -0.130 0.000 1.129 282 V CA -0.695 61.582 62.300 -0.038 0.000 0.932 282 V CB 2.046 33.695 31.823 -0.290 0.000 1.024 282 V HN 0.735 nan 8.190 nan 0.000 0.426 283 M N 4.060 123.526 119.600 -0.222 0.000 2.224 283 M HA 0.471 4.952 4.480 0.001 0.000 0.281 283 M C -0.071 176.165 176.300 -0.107 0.000 1.025 283 M CA -0.247 54.848 55.300 -0.341 0.000 0.954 283 M CB 2.183 34.175 32.600 -1.014 0.000 1.639 283 M HN 0.953 nan 8.290 nan 0.000 0.461 284 T N 0.731 115.280 114.554 -0.009 0.000 2.813 284 T HA 0.290 4.640 4.350 0.001 0.000 0.297 284 T C 0.711 175.469 174.700 0.097 0.000 1.036 284 T CA -0.226 61.927 62.100 0.089 0.000 1.044 284 T CB 0.479 69.419 68.868 0.120 0.000 0.993 284 T HN 0.517 nan 8.240 nan 0.000 0.535 285 F N 0.610 120.526 119.950 -0.056 0.000 2.293 285 F HA 0.007 4.534 4.527 0.001 0.000 0.300 285 F C 2.906 178.737 175.800 0.052 0.000 1.086 285 F CA 0.964 58.971 58.000 0.012 0.000 1.375 285 F CB -0.904 38.071 39.000 -0.042 0.000 1.045 285 F HN 0.582 nan 8.300 nan 0.000 0.516 286 S N 0.050 115.877 115.700 0.213 0.000 2.344 286 S HA -0.200 4.271 4.470 0.001 0.000 0.217 286 S C 1.886 176.545 174.600 0.098 0.000 1.033 286 S CA 1.512 59.790 58.200 0.129 0.000 1.017 286 S CB -0.555 62.700 63.200 0.093 0.000 0.941 286 S HN 0.431 nan 8.310 nan 0.000 0.430 287 E N 1.786 122.035 120.200 0.082 0.000 2.085 287 E HA -0.141 4.209 4.350 0.001 0.000 0.194 287 E C 2.344 178.968 176.600 0.040 0.000 0.994 287 E CA 1.011 57.455 56.400 0.074 0.000 0.801 287 E CB -0.378 29.381 29.700 0.098 0.000 0.743 287 E HN 0.518 nan 8.360 nan 0.000 0.453 288 A N 1.629 124.438 122.820 -0.019 0.000 1.948 288 A HA -0.266 4.054 4.320 0.001 0.000 0.220 288 A C 1.888 179.464 177.584 -0.014 0.000 1.177 288 A CA 1.556 53.528 52.037 -0.108 0.000 0.636 288 A CB -0.423 18.561 19.000 -0.026 0.000 0.815 288 A HN 0.200 nan 8.150 nan 0.000 0.449 289 E N -1.124 119.116 120.200 0.067 0.000 2.427 289 E HA -0.024 4.327 4.350 0.001 0.000 0.196 289 E C 1.302 177.944 176.600 0.070 0.000 1.028 289 E CA 0.205 56.654 56.400 0.083 0.000 0.864 289 E CB 0.023 29.783 29.700 0.100 0.000 0.813 289 E HN 0.523 nan 8.360 nan 0.000 0.514 290 I N 0.191 120.807 120.570 0.076 0.000 3.081 290 I HA -0.003 4.168 4.170 0.001 0.000 0.274 290 I C 0.543 176.708 176.117 0.080 0.000 1.178 290 I CA -0.056 61.283 61.300 0.064 0.000 1.460 290 I CB -0.200 37.833 38.000 0.056 0.000 1.137 290 I HN -0.035 nan 8.210 nan 0.000 0.443 291 F N 4.889 124.797 119.950 -0.071 0.000 2.568 291 F HA -0.079 4.448 4.527 0.001 0.000 0.394 291 F C -0.900 174.827 175.800 -0.122 0.000 1.032 291 F CA -0.739 57.211 58.000 -0.083 0.000 1.242 291 F CB 0.167 39.100 39.000 -0.113 0.000 0.966 291 F HN 0.062 nan 8.300 nan 0.000 0.560 292 P HA -0.123 nan 4.420 nan 0.000 0.231 292 P C -0.282 176.532 177.300 -0.811 0.000 1.158 292 P CA 1.453 64.132 63.100 -0.702 0.000 0.763 292 P CB -0.039 31.089 31.700 -0.953 0.000 0.805 293 F N -1.526 118.424 119.950 -0.000 0.000 3.012 293 F HA 0.364 4.892 4.527 0.001 0.000 0.346 293 F C 0.612 176.589 175.800 0.295 0.000 1.239 293 F CA -1.512 56.593 58.000 0.176 0.000 1.028 293 F CB -0.415 38.715 39.000 0.217 0.000 1.497 293 F HN -0.381 nan 8.300 nan 0.000 0.521 294 N N 2.294 121.272 118.700 0.464 0.000 2.420 294 N HA 0.274 5.014 4.740 0.001 0.000 0.249 294 N C -2.247 173.274 175.510 0.019 0.000 1.033 294 N CA -1.972 51.189 53.050 0.186 0.000 0.944 294 N CB 1.392 39.975 38.487 0.160 0.000 1.113 294 N HN 0.050 nan 8.380 nan 0.000 0.502 295 P HA 0.018 nan 4.420 nan 0.000 0.231 295 P C 0.100 176.995 177.300 -0.674 0.000 1.158 295 P CA 0.918 63.568 63.100 -0.749 0.000 0.763 295 P CB -0.027 30.992 31.700 -1.136 0.000 0.805 296 F N -1.721 118.146 119.950 -0.137 0.000 2.678 296 F HA 0.211 4.739 4.527 0.001 0.000 0.305 296 F C 0.894 176.632 175.800 -0.103 0.000 1.090 296 F CA -1.079 56.816 58.000 -0.175 0.000 1.272 296 F CB -0.469 38.418 39.000 -0.187 0.000 1.060 296 F HN -0.166 nan 8.300 nan 0.000 0.576 297 D N 1.633 122.064 120.400 0.051 0.000 2.358 297 D HA -0.008 4.633 4.640 0.001 0.000 0.258 297 D C 1.233 177.516 176.300 -0.029 0.000 1.223 297 D CA 0.169 54.191 54.000 0.037 0.000 0.886 297 D CB 1.157 41.981 40.800 0.041 0.000 1.120 297 D HN 0.133 nan 8.370 nan 0.000 0.482 298 L N 4.195 125.402 121.223 -0.027 0.000 2.362 298 L HA -0.089 4.251 4.340 0.001 0.000 0.219 298 L C 2.122 178.917 176.870 -0.126 0.000 1.134 298 L CA 1.476 56.257 54.840 -0.098 0.000 0.807 298 L CB -0.429 41.589 42.059 -0.068 0.000 0.927 298 L HN 0.579 nan 8.230 nan 0.000 0.447 299 T N -3.474 111.032 114.554 -0.080 0.000 3.235 299 T HA 0.163 4.513 4.350 0.001 0.000 0.251 299 T C 0.583 175.250 174.700 -0.055 0.000 1.060 299 T CA -0.341 61.699 62.100 -0.099 0.000 0.949 299 T CB -0.182 68.656 68.868 -0.050 0.000 1.020 299 T HN -0.020 nan 8.240 nan 0.000 0.564 300 K N 0.937 121.290 120.400 -0.078 0.000 2.409 300 K HA 0.756 5.077 4.320 0.001 0.000 0.252 300 K C -0.570 176.027 176.600 -0.006 0.000 1.036 300 K CA -0.773 55.524 56.287 0.017 0.000 0.871 300 K CB 2.373 34.918 32.500 0.075 0.000 1.374 300 K HN 0.162 nan 8.250 nan 0.000 0.459 301 V N -2.812 117.207 119.914 0.174 0.000 3.160 301 V HA 0.612 4.733 4.120 0.001 0.000 0.310 301 V C -1.497 174.916 176.094 0.531 0.000 1.181 301 V CA -1.111 61.295 62.300 0.177 0.000 1.047 301 V CB 2.145 34.063 31.823 0.159 0.000 1.068 301 V HN 0.603 nan 8.190 nan 0.000 0.441 302 W N 1.301 122.763 121.300 0.270 0.000 2.283 302 W HA 0.611 5.272 4.660 0.001 0.000 0.317 302 W C -2.583 174.218 176.519 0.471 0.000 1.042 302 W CA -2.740 54.821 57.345 0.360 0.000 1.348 302 W CB 0.300 29.796 29.460 0.059 0.000 1.216 302 W HN 0.380 nan 8.180 nan 0.000 0.404 303 P HA -0.095 nan 4.420 nan 0.000 0.260 303 P C 1.064 178.665 177.300 0.502 0.000 1.172 303 P CA 0.856 64.224 63.100 0.446 0.000 0.760 303 P CB 0.410 32.296 31.700 0.310 0.000 0.773 304 H N 2.119 121.330 119.070 0.235 0.000 2.457 304 H HA -0.144 4.412 4.556 0.001 0.000 0.297 304 H C 2.111 177.496 175.328 0.096 0.000 1.092 304 H CA 0.874 57.014 56.048 0.152 0.000 1.309 304 H CB -0.179 29.632 29.762 0.082 0.000 1.382 304 H HN 0.594 nan 8.280 nan 0.000 0.535 305 G N 0.473 109.396 108.800 0.205 0.000 2.402 305 G HA2 -0.211 3.750 3.960 0.001 0.000 0.216 305 G HA3 -0.211 3.750 3.960 0.001 0.000 0.216 305 G C 1.278 176.172 174.900 -0.010 0.000 1.162 305 G CA 0.884 46.034 45.100 0.082 0.000 0.777 305 G HN 0.389 nan 8.290 nan 0.000 0.539 306 D N -0.975 119.388 120.400 -0.061 0.000 2.271 306 D HA 0.056 4.696 4.640 0.001 0.000 0.206 306 D C -0.217 175.665 176.300 -0.696 0.000 0.967 306 D CA 0.607 54.370 54.000 -0.395 0.000 0.867 306 D CB 0.323 40.823 40.800 -0.500 0.000 0.960 306 D HN 0.396 nan 8.370 nan 0.000 0.509 307 Y N 0.812 121.166 120.300 0.090 0.000 2.628 307 Y HA 0.269 4.819 4.550 0.001 0.000 0.354 307 Y C -2.287 173.650 175.900 0.063 0.000 1.061 307 Y CA -2.332 55.806 58.100 0.062 0.000 1.251 307 Y CB 1.342 39.845 38.460 0.072 0.000 1.098 307 Y HN -0.158 nan 8.280 nan 0.000 0.626 308 P HA 0.063 nan 4.420 nan 0.000 0.269 308 P C -0.284 176.993 177.300 -0.039 0.000 1.209 308 P CA -0.022 63.078 63.100 0.001 0.000 0.776 308 P CB 1.553 33.259 31.700 0.011 0.000 0.876 309 L N 2.864 123.981 121.223 -0.176 0.000 2.360 309 L HA 0.236 4.577 4.340 0.001 0.000 0.276 309 L C 0.591 177.509 176.870 0.080 0.000 1.121 309 L CA -0.465 54.291 54.840 -0.142 0.000 0.845 309 L CB -0.306 41.481 42.059 -0.453 0.000 1.143 309 L HN 0.235 nan 8.230 nan 0.000 0.452 310 I N 5.559 126.215 120.570 0.143 0.000 2.321 310 I HA 0.332 4.503 4.170 0.001 0.000 0.291 310 I C -2.075 174.080 176.117 0.064 0.000 0.998 310 I CA -2.014 59.361 61.300 0.124 0.000 1.227 310 I CB 1.108 39.163 38.000 0.092 0.000 1.368 310 I HN 0.349 nan 8.210 nan 0.000 0.466 311 P HA 0.119 nan 4.420 nan 0.000 0.275 311 P C 0.332 177.221 177.300 -0.686 0.000 1.228 311 P CA -0.049 62.617 63.100 -0.722 0.000 0.786 311 P CB 1.404 32.484 31.700 -1.032 0.000 0.927 312 V N 0.794 120.461 119.914 -0.412 0.000 3.193 312 V HA 0.623 4.743 4.120 0.001 0.000 0.237 312 V C 0.208 176.339 176.094 0.062 0.000 1.447 312 V CA 1.272 63.515 62.300 -0.096 0.000 1.227 312 V CB 0.347 32.119 31.823 -0.085 0.000 1.040 312 V HN 0.695 nan 8.190 nan 0.000 0.458 313 G N 0.060 108.909 108.800 0.081 0.000 2.550 313 G HA2 0.531 4.492 3.960 0.001 0.000 0.293 313 G HA3 0.531 4.492 3.960 0.001 0.000 0.293 313 G C -2.084 172.892 174.900 0.126 0.000 1.402 313 G CA -0.733 44.392 45.100 0.043 0.000 0.784 313 G HN 0.081 nan 8.290 nan 0.000 0.482 314 K N 0.659 121.073 120.400 0.022 0.000 2.274 314 K HA 0.489 4.810 4.320 0.001 0.000 0.262 314 K C -0.739 176.013 176.600 0.253 0.000 0.961 314 K CA -0.539 55.832 56.287 0.141 0.000 0.833 314 K CB 1.663 34.214 32.500 0.085 0.000 1.102 314 K HN 0.340 nan 8.250 nan 0.000 0.436 315 L N 3.959 125.383 121.223 0.335 0.000 2.272 315 L HA 0.332 4.672 4.340 0.001 0.000 0.284 315 L C -0.497 176.500 176.870 0.213 0.000 1.045 315 L CA -0.892 54.128 54.840 0.300 0.000 0.842 315 L CB 1.116 43.352 42.059 0.297 0.000 1.224 315 L HN 0.106 nan 8.230 nan 0.000 0.430 316 V N 5.206 125.051 119.914 -0.115 0.000 2.459 316 V HA 0.447 4.567 4.120 0.001 0.000 0.295 316 V C 0.059 176.056 176.094 -0.162 0.000 1.029 316 V CA -0.516 61.664 62.300 -0.200 0.000 0.874 316 V CB 2.127 33.587 31.823 -0.605 0.000 0.985 316 V HN 0.497 nan 8.190 nan 0.000 0.438 317 L N 4.989 126.253 121.223 0.069 0.000 2.313 317 L HA 0.553 4.893 4.340 0.001 0.000 0.283 317 L C 0.199 177.060 176.870 -0.015 0.000 1.013 317 L CA -0.367 54.526 54.840 0.089 0.000 0.816 317 L CB 1.622 43.826 42.059 0.242 0.000 1.236 317 L HN 0.889 nan 8.230 nan 0.000 0.419 318 N N 1.501 120.106 118.700 -0.159 0.000 2.082 318 N HA 0.078 4.818 4.740 0.001 0.000 0.228 318 N C -0.150 175.128 175.510 -0.386 0.000 1.341 318 N CA -0.655 51.996 53.050 -0.666 0.000 0.873 318 N CB 0.622 38.533 38.487 -0.959 0.000 1.137 318 N HN 0.596 nan 8.380 nan 0.000 0.505 319 R N -0.264 120.206 120.500 -0.051 0.000 2.621 319 R HA 0.487 4.828 4.340 0.001 0.000 0.284 319 R C -1.520 174.896 176.300 0.193 0.000 0.998 319 R CA -0.685 55.443 56.100 0.047 0.000 0.895 319 R CB 1.088 31.429 30.300 0.068 0.000 1.195 319 R HN -0.169 nan 8.270 nan 0.000 0.450 320 N N 2.945 121.751 118.700 0.176 0.000 2.492 320 N HA 0.394 5.134 4.740 0.001 0.000 0.289 320 N C -2.346 173.397 175.510 0.389 0.000 1.133 320 N CA -1.642 51.595 53.050 0.311 0.000 0.961 320 N CB 1.614 40.248 38.487 0.245 0.000 1.186 320 N HN 0.529 nan 8.380 nan 0.000 0.493 321 P HA -0.015 nan 4.420 nan 0.000 0.266 321 P C 0.757 178.235 177.300 0.297 0.000 1.195 321 P CA -0.029 63.328 63.100 0.428 0.000 0.768 321 P CB 0.893 32.874 31.700 0.468 0.000 0.838 322 V N 1.643 121.653 119.914 0.160 0.000 2.535 322 V HA -0.018 4.102 4.120 0.001 0.000 0.246 322 V C 1.297 177.485 176.094 0.157 0.000 1.045 322 V CA 1.405 63.798 62.300 0.155 0.000 1.058 322 V CB -0.699 31.172 31.823 0.081 0.000 0.689 322 V HN 0.703 nan 8.190 nan 0.000 0.461 323 N N -0.987 117.801 118.700 0.147 0.000 2.576 323 N HA 0.099 4.839 4.740 0.001 0.000 0.269 323 N C 0.384 176.024 175.510 0.218 0.000 1.058 323 N CA -0.395 52.752 53.050 0.161 0.000 0.860 323 N CB 1.552 40.114 38.487 0.126 0.000 1.249 323 N HN 0.213 nan 8.380 nan 0.000 0.525 324 Y N 4.894 125.278 120.300 0.140 0.000 2.030 324 Y HA -0.338 4.212 4.550 0.001 0.000 0.272 324 Y C 1.638 177.643 175.900 0.175 0.000 1.185 324 Y CA 2.188 60.380 58.100 0.154 0.000 1.120 324 Y CB -0.384 38.148 38.460 0.120 0.000 0.955 324 Y HN 0.622 nan 8.280 nan 0.000 0.495 325 F N 0.257 120.294 119.950 0.145 0.000 2.008 325 F HA -0.348 4.180 4.527 0.001 0.000 0.297 325 F C 2.533 178.302 175.800 -0.051 0.000 1.156 325 F CA 2.444 60.467 58.000 0.039 0.000 1.191 325 F CB -1.318 37.733 39.000 0.084 0.000 0.955 325 F HN 0.158 nan 8.300 nan 0.000 0.497 326 A N -0.330 122.603 122.820 0.189 0.000 1.915 326 A HA -0.308 4.012 4.320 0.001 0.000 0.220 326 A C 2.030 179.581 177.584 -0.056 0.000 1.198 326 A CA 2.469 54.536 52.037 0.049 0.000 0.647 326 A CB -1.077 17.996 19.000 0.121 0.000 0.825 326 A HN 0.692 nan 8.150 nan 0.000 0.456 327 E N -1.751 118.445 120.200 -0.007 0.000 2.400 327 E HA 0.145 4.496 4.350 0.001 0.000 0.195 327 E C 1.430 178.040 176.600 0.017 0.000 1.012 327 E CA 0.636 57.090 56.400 0.089 0.000 0.875 327 E CB 0.358 30.194 29.700 0.226 0.000 0.859 327 E HN 0.432 nan 8.360 nan 0.000 0.498 328 V N -0.069 119.691 119.914 -0.256 0.000 3.054 328 V HA -0.051 4.069 4.120 0.001 0.000 0.227 328 V C 1.880 177.689 176.094 -0.475 0.000 1.252 328 V CA 0.527 62.573 62.300 -0.424 0.000 1.279 328 V CB 0.234 31.626 31.823 -0.718 0.000 1.118 328 V HN -0.008 nan 8.190 nan 0.000 0.504 329 E N 0.985 120.802 120.200 -0.638 0.000 2.118 329 E HA -0.253 4.097 4.350 0.001 0.000 0.195 329 E C 2.072 178.413 176.600 -0.431 0.000 0.992 329 E CA 1.715 57.864 56.400 -0.419 0.000 0.804 329 E CB -0.168 29.338 29.700 -0.322 0.000 0.741 329 E HN 0.593 nan 8.360 nan 0.000 0.458 330 Q N -0.595 118.890 119.800 -0.526 0.000 2.451 330 Q HA 0.109 4.450 4.340 0.001 0.000 0.206 330 Q C 0.218 176.027 176.000 -0.320 0.000 0.947 330 Q CA -0.284 55.255 55.803 -0.440 0.000 0.937 330 Q CB 0.148 28.621 28.738 -0.441 0.000 1.025 330 Q HN 0.291 nan 8.270 nan 0.000 0.511 331 L N 0.710 121.750 121.223 -0.304 0.000 2.499 331 L HA 0.008 4.348 4.340 0.001 0.000 0.281 331 L C -0.272 176.334 176.870 -0.439 0.000 1.234 331 L CA -0.246 54.380 54.840 -0.355 0.000 0.839 331 L CB 0.471 42.304 42.059 -0.376 0.000 1.104 331 L HN 0.053 nan 8.230 nan 0.000 0.500 332 A N 4.193 126.675 122.820 -0.562 0.000 2.353 332 A HA 0.650 4.971 4.320 0.001 0.000 0.299 332 A C -1.269 176.098 177.584 -0.361 0.000 1.089 332 A CA -0.413 51.237 52.037 -0.644 0.000 0.736 332 A CB 0.649 19.234 19.000 -0.692 0.000 1.195 332 A HN 0.458 nan 8.150 nan 0.000 0.447 333 F N 1.909 121.985 119.950 0.210 0.000 2.402 333 F HA 0.392 4.920 4.527 0.001 0.000 0.355 333 F C -0.252 175.598 175.800 0.083 0.000 1.123 333 F CA -0.322 57.713 58.000 0.057 0.000 1.021 333 F CB 2.115 41.058 39.000 -0.096 0.000 1.160 333 F HN 0.472 nan 8.300 nan 0.000 0.451 334 D N 6.243 126.709 120.400 0.111 0.000 2.454 334 D HA 0.201 4.842 4.640 0.001 0.000 0.247 334 D C -2.000 174.203 176.300 -0.161 0.000 1.129 334 D CA -1.385 52.598 54.000 -0.028 0.000 0.877 334 D CB 1.932 42.793 40.800 0.101 0.000 1.082 334 D HN 0.163 nan 8.370 nan 0.000 0.537 335 P HA -0.174 nan 4.420 nan 0.000 0.218 335 P C 1.171 178.415 177.300 -0.094 0.000 1.147 335 P CA 1.168 64.107 63.100 -0.268 0.000 0.827 335 P CB 0.272 31.754 31.700 -0.363 0.000 0.778 336 S N -1.815 113.845 115.700 -0.066 0.000 2.515 336 S HA -0.075 4.395 4.470 0.001 0.000 0.231 336 S C 0.829 175.436 174.600 0.012 0.000 0.987 336 S CA 0.375 58.573 58.200 -0.003 0.000 0.936 336 S CB -1.056 62.153 63.200 0.015 0.000 0.766 336 S HN 0.372 nan 8.310 nan 0.000 0.528 337 N N 1.978 120.678 118.700 0.001 0.000 2.671 337 N HA 0.245 4.986 4.740 0.001 0.000 0.274 337 N C -0.996 174.566 175.510 0.086 0.000 1.188 337 N CA 0.104 53.164 53.050 0.016 0.000 1.065 337 N CB -0.038 38.442 38.487 -0.012 0.000 1.415 337 N HN 0.316 nan 8.380 nan 0.000 0.511 338 M N 2.208 121.840 119.600 0.052 0.000 2.259 338 M HA 0.445 4.926 4.480 0.001 0.000 0.304 338 M C -2.459 173.778 176.300 -0.105 0.000 1.019 338 M CA -1.851 53.454 55.300 0.008 0.000 0.922 338 M CB 2.106 34.712 32.600 0.011 0.000 1.600 338 M HN 0.125 nan 8.290 nan 0.000 0.433 339 P HA 0.447 nan 4.420 nan 0.000 0.278 339 P C -2.768 174.407 177.300 -0.209 0.000 1.266 339 P CA -1.786 61.190 63.100 -0.206 0.000 0.807 339 P CB -0.661 30.890 31.700 -0.249 0.000 1.094 340 P HA 0.116 nan 4.420 nan 0.000 0.257 340 P C 0.825 178.044 177.300 -0.135 0.000 1.189 340 P CA 1.335 64.372 63.100 -0.103 0.000 0.780 340 P CB -0.542 31.114 31.700 -0.073 0.000 0.772 341 G N 2.971 111.709 108.800 -0.103 0.000 2.705 341 G HA2 -0.117 3.843 3.960 0.001 0.000 0.193 341 G HA3 -0.117 3.843 3.960 0.001 0.000 0.193 341 G C -0.154 174.695 174.900 -0.084 0.000 1.015 341 G CA -0.450 44.596 45.100 -0.090 0.000 0.743 341 G HN 0.448 nan 8.290 nan 0.000 0.476 342 I N 1.315 121.789 120.570 -0.159 0.000 2.465 342 I HA 0.694 4.864 4.170 0.001 0.000 0.291 342 I C -0.452 175.667 176.117 0.003 0.000 1.014 342 I CA -0.682 60.553 61.300 -0.109 0.000 1.093 342 I CB 2.064 39.833 38.000 -0.384 0.000 1.267 342 I HN 0.076 nan 8.210 nan 0.000 0.431 343 E N 6.377 126.660 120.200 0.139 0.000 2.429 343 E HA 0.473 4.823 4.350 0.001 0.000 0.276 343 E C -2.684 174.103 176.600 0.312 0.000 0.953 343 E CA -1.754 54.755 56.400 0.181 0.000 0.787 343 E CB 3.248 33.039 29.700 0.153 0.000 1.307 343 E HN 0.289 nan 8.360 nan 0.000 0.458 344 P HA 0.075 nan 4.420 nan 0.000 0.278 344 P C -0.711 176.612 177.300 0.038 0.000 1.266 344 P CA -0.360 62.831 63.100 0.152 0.000 0.807 344 P CB 1.179 32.902 31.700 0.038 0.000 1.094 345 S N -0.310 115.295 115.700 -0.158 0.000 2.747 345 S HA 0.507 4.978 4.470 0.001 0.000 0.300 345 S C -1.951 172.372 174.600 -0.463 0.000 1.121 345 S CA -1.517 56.511 58.200 -0.286 0.000 0.995 345 S CB 0.695 63.672 63.200 -0.372 0.000 1.113 345 S HN 0.320 nan 8.310 nan 0.000 0.547 346 P HA 0.079 nan 4.420 nan 0.000 0.252 346 P C -0.262 176.759 177.300 -0.465 0.000 1.265 346 P CA 0.103 62.850 63.100 -0.588 0.000 0.775 346 P CB -0.673 30.663 31.700 -0.607 0.000 1.128 347 D N 1.499 121.642 120.400 -0.429 0.000 2.433 347 D HA -0.067 4.573 4.640 0.001 0.000 0.274 347 D C 1.167 177.373 176.300 -0.157 0.000 1.344 347 D CA 0.319 54.214 54.000 -0.174 0.000 0.989 347 D CB 0.434 41.146 40.800 -0.147 0.000 1.116 347 D HN 0.025 nan 8.370 nan 0.000 0.533 348 K N 3.163 123.514 120.400 -0.081 0.000 2.242 348 K HA -0.208 4.112 4.320 0.001 0.000 0.206 348 K C 1.744 178.315 176.600 -0.048 0.000 1.045 348 K CA 1.044 57.298 56.287 -0.055 0.000 0.930 348 K CB 0.062 32.564 32.500 0.004 0.000 0.726 348 K HN 0.543 nan 8.250 nan 0.000 0.462 349 M N -0.209 119.376 119.600 -0.026 0.000 2.216 349 M HA -0.073 4.408 4.480 0.001 0.000 0.264 349 M C 2.221 178.430 176.300 -0.152 0.000 1.080 349 M CA 0.873 56.172 55.300 -0.001 0.000 1.153 349 M CB -0.769 31.925 32.600 0.155 0.000 1.356 349 M HN 0.124 nan 8.290 nan 0.000 0.432 350 L N 1.356 122.312 121.223 -0.446 0.000 1.989 350 L HA -0.227 4.113 4.340 0.001 0.000 0.211 350 L C 2.501 179.181 176.870 -0.318 0.000 1.071 350 L CA 1.967 56.363 54.840 -0.740 0.000 0.749 350 L CB -0.980 40.529 42.059 -0.917 0.000 0.890 350 L HN 0.309 nan 8.230 nan 0.000 0.431 351 Q N -0.178 119.484 119.800 -0.230 0.000 2.082 351 Q HA -0.233 4.108 4.340 0.001 0.000 0.211 351 Q C 2.135 178.098 176.000 -0.061 0.000 1.002 351 Q CA 2.047 57.770 55.803 -0.133 0.000 0.868 351 Q CB -1.275 27.389 28.738 -0.123 0.000 0.931 351 Q HN 0.692 nan 8.270 nan 0.000 0.414 352 G N 0.879 109.650 108.800 -0.049 0.000 2.446 352 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 352 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 352 G C 1.499 176.429 174.900 0.051 0.000 1.168 352 G CA 0.794 45.909 45.100 0.025 0.000 0.771 352 G HN 0.321 nan 8.290 nan 0.000 0.551 353 R N -0.023 120.465 120.500 -0.021 0.000 2.193 353 R HA 0.078 4.419 4.340 0.001 0.000 0.229 353 R C 2.479 178.813 176.300 0.057 0.000 1.110 353 R CA 0.533 56.669 56.100 0.059 0.000 0.988 353 R CB -0.435 29.854 30.300 -0.019 0.000 0.871 353 R HN 0.342 nan 8.270 nan 0.000 0.458 354 L N -0.337 120.891 121.223 0.008 0.000 2.187 354 L HA -0.192 4.149 4.340 0.001 0.000 0.213 354 L C 2.110 179.044 176.870 0.108 0.000 1.100 354 L CA 1.103 55.961 54.840 0.029 0.000 0.765 354 L CB -0.300 41.769 42.059 0.017 0.000 0.904 354 L HN 0.187 nan 8.230 nan 0.000 0.437 355 F N 0.107 120.052 119.950 -0.007 0.000 2.343 355 F HA 0.186 4.713 4.527 0.001 0.000 0.286 355 F C 2.399 178.194 175.800 -0.009 0.000 1.057 355 F CA 0.638 58.634 58.000 -0.006 0.000 1.365 355 F CB -0.402 38.585 39.000 -0.022 0.000 1.114 355 F HN -0.101 nan 8.300 nan 0.000 0.545 356 A N 0.028 122.585 122.820 -0.439 0.000 1.908 356 A HA -0.197 4.123 4.320 0.001 0.000 0.218 356 A C 2.032 179.293 177.584 -0.537 0.000 1.181 356 A CA 1.956 53.632 52.037 -0.601 0.000 0.627 356 A CB -1.563 17.240 19.000 -0.329 0.000 0.818 356 A HN 0.551 nan 8.150 nan 0.000 0.445 357 Y N 0.019 120.058 120.300 -0.436 0.000 2.089 357 Y HA -0.083 4.468 4.550 0.001 0.000 0.282 357 Y C -0.081 175.410 175.900 -0.680 0.000 1.139 357 Y CA 2.009 59.775 58.100 -0.557 0.000 1.123 357 Y CB -1.700 36.506 38.460 -0.423 0.000 0.980 357 Y HN 0.279 nan 8.280 nan 0.000 0.493 358 P HA -0.128 nan 4.420 nan 0.000 0.217 358 P C 0.956 178.152 177.300 -0.173 0.000 1.150 358 P CA 2.015 65.071 63.100 -0.073 0.000 0.832 358 P CB 0.026 31.770 31.700 0.074 0.000 0.787 359 D N -0.945 119.247 120.400 -0.348 0.000 2.120 359 D HA -0.159 4.481 4.640 0.001 0.000 0.191 359 D C 1.783 177.932 176.300 -0.252 0.000 0.994 359 D CA 1.947 55.726 54.000 -0.369 0.000 0.838 359 D CB -0.934 39.364 40.800 -0.838 0.000 0.976 359 D HN -0.033 nan 8.370 nan 0.000 0.447 360 T N -1.127 113.230 114.554 -0.327 0.000 2.737 360 T HA -0.193 4.157 4.350 0.001 0.000 0.269 360 T C 1.640 176.280 174.700 -0.100 0.000 1.040 360 T CA 1.555 63.541 62.100 -0.190 0.000 1.142 360 T CB -0.578 68.138 68.868 -0.254 0.000 0.861 360 T HN 0.379 nan 8.240 nan 0.000 0.456 361 H N 0.414 119.284 119.070 -0.334 0.000 2.353 361 H HA 0.018 4.574 4.556 0.001 0.000 0.300 361 H C 2.709 177.692 175.328 -0.575 0.000 1.090 361 H CA 0.877 56.552 56.048 -0.622 0.000 1.327 361 H CB 0.080 29.131 29.762 -1.186 0.000 1.383 361 H HN 0.217 nan 8.280 nan 0.000 0.508 362 R N -0.506 119.873 120.500 -0.200 0.000 2.120 362 R HA -0.167 4.173 4.340 0.001 0.000 0.234 362 R C 2.154 178.472 176.300 0.030 0.000 1.123 362 R CA 1.644 57.749 56.100 0.008 0.000 0.975 362 R CB -0.175 30.183 30.300 0.096 0.000 0.866 362 R HN 0.494 nan 8.270 nan 0.000 0.446 363 H N 0.125 119.149 119.070 -0.077 0.000 2.355 363 H HA 0.080 4.636 4.556 0.001 0.000 0.303 363 H C 2.161 177.457 175.328 -0.054 0.000 1.061 363 H CA 1.240 57.257 56.048 -0.051 0.000 1.368 363 H CB 0.168 29.898 29.762 -0.054 0.000 1.412 363 H HN -0.057 nan 8.280 nan 0.000 0.523 364 R N -0.205 120.175 120.500 -0.200 0.000 2.073 364 R HA -0.010 4.330 4.340 0.001 0.000 0.229 364 R C 1.739 177.919 176.300 -0.200 0.000 1.120 364 R CA 1.587 57.542 56.100 -0.242 0.000 0.967 364 R CB 0.052 30.300 30.300 -0.086 0.000 0.862 364 R HN 0.402 nan 8.270 nan 0.000 0.436 365 L N -1.539 119.576 121.223 -0.179 0.000 2.262 365 L HA 0.346 4.686 4.340 0.001 0.000 0.197 365 L C 0.770 177.615 176.870 -0.042 0.000 1.073 365 L CA 0.422 55.184 54.840 -0.129 0.000 0.800 365 L CB 0.393 42.349 42.059 -0.171 0.000 0.987 365 L HN 0.446 nan 8.230 nan 0.000 0.470 366 G N -1.619 107.181 108.800 -0.001 0.000 2.321 366 G HA2 0.018 3.978 3.960 0.001 0.000 0.339 366 G HA3 0.018 3.978 3.960 0.001 0.000 0.339 366 G C -2.697 172.312 174.900 0.183 0.000 1.518 366 G CA -0.784 44.355 45.100 0.066 0.000 0.994 366 G HN -0.244 nan 8.290 nan 0.000 0.668 367 P HA -0.101 nan 4.420 nan 0.000 0.216 367 P C 1.092 178.490 177.300 0.162 0.000 1.154 367 P CA 1.231 64.432 63.100 0.167 0.000 0.865 367 P CB 0.157 31.915 31.700 0.096 0.000 0.789 368 N N -1.135 117.624 118.700 0.097 0.000 2.378 368 N HA 0.020 4.761 4.740 0.001 0.000 0.243 368 N C 1.068 176.567 175.510 -0.019 0.000 1.137 368 N CA -0.096 52.958 53.050 0.007 0.000 0.862 368 N CB -0.436 38.053 38.487 0.002 0.000 1.116 368 N HN 0.392 nan 8.380 nan 0.000 0.499 369 Y N -0.480 119.806 120.300 -0.024 0.000 2.274 369 Y HA -0.039 4.512 4.550 0.001 0.000 0.290 369 Y C 1.682 177.544 175.900 -0.064 0.000 1.145 369 Y CA 0.801 58.867 58.100 -0.057 0.000 1.203 369 Y CB -0.628 37.782 38.460 -0.083 0.000 0.984 369 Y HN -0.038 nan 8.280 nan 0.000 0.533 370 L N 0.581 121.298 121.223 -0.843 0.000 2.450 370 L HA -0.165 4.176 4.340 0.001 0.000 0.224 370 L C 2.240 178.975 176.870 -0.224 0.000 1.149 370 L CA 1.147 55.660 54.840 -0.544 0.000 0.816 370 L CB -0.580 41.148 42.059 -0.551 0.000 0.932 370 L HN 0.388 nan 8.230 nan 0.000 0.449 371 Q N -0.196 119.506 119.800 -0.162 0.000 2.425 371 Q HA 0.137 4.478 4.340 0.001 0.000 0.204 371 Q C 0.510 176.486 176.000 -0.039 0.000 0.933 371 Q CA -0.044 55.713 55.803 -0.076 0.000 0.939 371 Q CB 0.373 29.078 28.738 -0.056 0.000 1.044 371 Q HN 0.483 nan 8.270 nan 0.000 0.513 372 I N 2.110 122.658 120.570 -0.035 0.000 2.533 372 I HA -0.042 4.128 4.170 0.001 0.000 0.284 372 I C -1.578 174.534 176.117 -0.008 0.000 1.109 372 I CA -1.540 59.751 61.300 -0.016 0.000 1.412 372 I CB 0.647 38.636 38.000 -0.018 0.000 1.396 372 I HN -0.047 nan 8.210 nan 0.000 0.543 373 P HA -0.259 nan 4.420 nan 0.000 0.221 373 P C 1.636 178.949 177.300 0.022 0.000 1.160 373 P CA 1.447 64.536 63.100 -0.018 0.000 0.933 373 P CB -0.031 31.638 31.700 -0.051 0.000 0.793 374 V N -0.549 119.381 119.914 0.025 0.000 2.469 374 V HA -0.211 3.909 4.120 0.001 0.000 0.251 374 V C 1.897 178.092 176.094 0.168 0.000 1.064 374 V CA 2.046 64.410 62.300 0.107 0.000 1.066 374 V CB -1.206 30.669 31.823 0.088 0.000 0.667 374 V HN 0.204 nan 8.190 nan 0.000 0.461 375 N N -0.833 117.905 118.700 0.063 0.000 2.405 375 N HA 0.034 4.774 4.740 0.001 0.000 0.175 375 N C 0.895 176.438 175.510 0.055 0.000 1.051 375 N CA 0.459 53.514 53.050 0.009 0.000 0.899 375 N CB 0.062 38.514 38.487 -0.059 0.000 1.000 375 N HN 0.504 nan 8.380 nan 0.000 0.451 376 C N 4.787 124.148 119.300 0.102 0.000 2.634 376 C HA 0.137 4.598 4.460 0.001 0.000 0.418 376 C C -1.871 173.258 174.990 0.232 0.000 1.373 376 C CA -1.151 57.929 59.018 0.104 0.000 1.756 376 C CB -0.049 27.742 27.740 0.084 0.000 2.589 376 C HN 0.221 nan 8.230 nan 0.000 0.602 377 P HA 0.109 nan 4.420 nan 0.000 0.237 377 P C 0.011 177.349 177.300 0.063 0.000 1.788 377 P CA 0.051 63.204 63.100 0.089 0.000 1.061 377 P CB -0.752 30.940 31.700 -0.013 0.000 1.967 378 Y N 0.430 120.791 120.300 0.103 0.000 2.569 378 Y HA -0.002 4.549 4.550 0.001 0.000 0.293 378 Y C 1.432 177.345 175.900 0.021 0.000 1.144 378 Y CA 0.480 58.592 58.100 0.020 0.000 1.321 378 Y CB -0.637 37.796 38.460 -0.045 0.000 0.982 378 Y HN -0.014 nan 8.280 nan 0.000 0.558 379 R N 1.029 121.366 120.500 -0.272 0.000 2.515 379 R HA 0.564 4.905 4.340 0.001 0.000 0.294 379 R C -0.361 175.898 176.300 -0.069 0.000 1.021 379 R CA 0.430 56.439 56.100 -0.152 0.000 1.081 379 R CB 0.278 30.434 30.300 -0.240 0.000 1.263 379 R HN 0.403 nan 8.270 nan 0.000 0.557 380 A N 0.680 123.474 122.820 -0.044 0.000 2.566 380 A HA 0.608 4.928 4.320 0.001 0.000 0.292 380 A C -1.156 176.417 177.584 -0.018 0.000 1.112 380 A CA -0.801 51.215 52.037 -0.034 0.000 0.707 380 A CB 1.589 20.562 19.000 -0.045 0.000 1.302 380 A HN 0.138 nan 8.150 nan 0.000 0.409 381 R N 0.850 121.335 120.500 -0.026 0.000 2.278 381 R HA 0.450 4.790 4.340 0.001 0.000 0.322 381 R C -1.287 174.987 176.300 -0.044 0.000 1.058 381 R CA -0.377 55.706 56.100 -0.028 0.000 0.991 381 R CB 0.359 30.642 30.300 -0.029 0.000 1.140 381 R HN 0.690 nan 8.270 nan 0.000 0.518 382 V N 4.077 123.965 119.914 -0.044 0.000 2.415 382 V HA 0.667 4.787 4.120 0.001 0.000 0.267 382 V C -0.723 175.323 176.094 -0.081 0.000 1.042 382 V CA 0.389 62.652 62.300 -0.061 0.000 1.000 382 V CB 0.439 32.229 31.823 -0.055 0.000 1.015 382 V HN 0.839 nan 8.190 nan 0.000 0.478 383 A N 5.868 128.623 122.820 -0.107 0.000 2.408 383 A HA 0.872 5.193 4.320 0.001 0.000 0.295 383 A C -0.581 176.865 177.584 -0.230 0.000 1.040 383 A CA -0.415 51.528 52.037 -0.157 0.000 0.707 383 A CB 1.479 20.392 19.000 -0.145 0.000 1.235 383 A HN 1.128 nan 8.150 nan 0.000 0.418 384 N N -0.272 118.240 118.700 -0.312 0.000 3.575 384 N HA 0.315 5.055 4.740 0.001 0.000 0.343 384 N C -0.912 174.221 175.510 -0.628 0.000 1.574 384 N CA -0.561 52.224 53.050 -0.442 0.000 0.832 384 N CB 0.193 38.574 38.487 -0.178 0.000 2.151 384 N HN 0.237 nan 8.380 nan 0.000 0.552 385 Y N -0.427 119.844 120.300 -0.048 0.000 2.708 385 Y HA 0.431 4.981 4.550 0.001 0.000 0.287 385 Y C -0.147 175.762 175.900 0.015 0.000 1.145 385 Y CA -0.386 57.712 58.100 -0.004 0.000 1.249 385 Y CB 0.176 38.649 38.460 0.020 0.000 1.152 385 Y HN 0.222 nan 8.280 nan 0.000 0.532 386 Q N 1.216 121.048 119.800 0.052 0.000 2.241 386 Q HA 0.561 4.902 4.340 0.001 0.000 0.254 386 Q C -0.152 175.864 176.000 0.026 0.000 0.917 386 Q CA -0.659 55.173 55.803 0.048 0.000 0.919 386 Q CB 1.596 30.345 28.738 0.019 0.000 1.237 386 Q HN 0.158 nan 8.270 nan 0.000 0.434 387 R N 1.665 122.189 120.500 0.040 0.000 2.855 387 R HA 0.372 4.712 4.340 0.001 0.000 0.266 387 R C -0.590 175.725 176.300 0.026 0.000 1.034 387 R CA -0.653 55.464 56.100 0.028 0.000 0.944 387 R CB 1.157 31.482 30.300 0.042 0.000 1.219 387 R HN 0.716 nan 8.270 nan 0.000 0.474 388 D N -0.079 120.332 120.400 0.018 0.000 3.307 388 D HA -0.223 4.417 4.640 0.001 0.000 0.197 388 D C 0.451 176.763 176.300 0.020 0.000 1.363 388 D CA 2.097 56.108 54.000 0.019 0.000 1.100 388 D CB -1.113 39.701 40.800 0.024 0.000 0.616 388 D HN 0.924 nan 8.370 nan 0.000 0.719 389 G N -1.142 107.673 108.800 0.024 0.000 2.663 389 G HA2 0.183 4.144 3.960 0.001 0.000 0.686 389 G HA3 0.183 4.144 3.960 0.001 0.000 0.686 389 G C -2.856 172.060 174.900 0.026 0.000 1.246 389 G CA -0.338 44.779 45.100 0.029 0.000 0.795 389 G HN 0.569 nan 8.290 nan 0.000 0.627 390 P HA 0.281 nan 4.420 nan 0.000 0.266 390 P C 0.820 178.135 177.300 0.026 0.000 1.195 390 P CA 0.314 63.430 63.100 0.027 0.000 0.768 390 P CB 0.623 32.341 31.700 0.029 0.000 0.838 391 M N -0.686 118.927 119.600 0.022 0.000 2.360 391 M HA -0.158 4.323 4.480 0.001 0.000 0.202 391 M C 0.036 176.346 176.300 0.017 0.000 0.390 391 M CA 0.205 55.518 55.300 0.021 0.000 0.470 391 M CB -2.552 30.063 32.600 0.026 0.000 1.637 391 M HN 0.549 nan 8.290 nan 0.000 0.885 392 C N 1.532 120.840 119.300 0.013 0.000 2.610 392 C HA 0.361 4.822 4.460 0.001 0.000 0.382 392 C C 1.148 176.139 174.990 0.002 0.000 1.287 392 C CA -0.390 58.632 59.018 0.006 0.000 1.640 392 C CB -0.474 27.270 27.740 0.006 0.000 2.335 392 C HN 0.541 nan 8.230 nan 0.000 0.577 393 M N 6.362 125.961 119.600 -0.002 0.000 1.917 393 M HA 0.555 5.036 4.480 0.001 0.000 0.208 393 M C 0.848 177.143 176.300 -0.009 0.000 1.215 393 M CA 0.464 55.762 55.300 -0.004 0.000 0.944 393 M CB 0.221 32.818 32.600 -0.005 0.000 1.225 393 M HN 0.852 nan 8.290 nan 0.000 0.519 394 M N -0.800 118.793 119.600 -0.011 0.000 7.319 394 M HA -0.302 4.178 4.480 0.001 0.000 0.218 394 M C 0.182 176.475 176.300 -0.012 0.000 0.480 394 M CA 1.197 56.489 55.300 -0.014 0.000 1.311 394 M CB -1.723 30.866 32.600 -0.018 0.000 0.421 394 M HN 0.810 nan 8.290 nan 0.000 0.206 395 D N 0.620 121.011 120.400 -0.014 0.000 2.339 395 D HA 0.144 4.784 4.640 0.001 0.000 0.217 395 D C 0.708 177.000 176.300 -0.013 0.000 1.050 395 D CA 1.056 55.049 54.000 -0.012 0.000 0.856 395 D CB -0.029 40.761 40.800 -0.016 0.000 0.922 395 D HN 0.621 nan 8.370 nan 0.000 0.518 396 N N 0.893 119.583 118.700 -0.016 0.000 2.754 396 N HA -0.279 4.461 4.740 0.001 0.000 0.248 396 N C -0.839 174.657 175.510 -0.023 0.000 1.093 396 N CA 0.588 53.628 53.050 -0.017 0.000 0.699 396 N CB -0.789 37.693 38.487 -0.008 0.000 1.016 396 N HN 0.325 nan 8.380 nan 0.000 0.552 397 Q N -2.757 117.024 119.800 -0.032 0.000 2.494 397 Q HA -0.226 4.114 4.340 0.001 0.000 0.272 397 Q C 1.069 177.050 176.000 -0.031 0.000 1.145 397 Q CA 0.897 56.674 55.803 -0.043 0.000 0.943 397 Q CB -1.900 26.798 28.738 -0.067 0.000 1.338 397 Q HN 0.892 nan 8.270 nan 0.000 0.492 398 G N -0.205 108.583 108.800 -0.020 0.000 2.596 398 G HA2 -0.330 3.630 3.960 0.001 0.000 0.334 398 G HA3 -0.330 3.630 3.960 0.001 0.000 0.334 398 G C 0.503 175.399 174.900 -0.008 0.000 1.351 398 G CA 0.173 45.266 45.100 -0.013 0.000 0.965 398 G HN 0.937 nan 8.290 nan 0.000 0.533 399 G N 0.063 108.861 108.800 -0.005 0.000 3.782 399 G HA2 0.684 4.644 3.960 0.001 0.000 0.288 399 G HA3 0.684 4.644 3.960 0.001 0.000 0.288 399 G C 0.383 175.284 174.900 0.001 0.000 1.300 399 G CA 1.247 46.347 45.100 -0.000 0.000 1.261 399 G HN 1.563 nan 8.290 nan 0.000 0.591 400 A N 1.019 123.838 122.820 -0.001 0.000 2.340 400 A HA 0.693 5.013 4.320 0.001 0.000 0.268 400 A C -2.079 175.522 177.584 0.029 0.000 1.100 400 A CA -1.238 50.800 52.037 0.000 0.000 0.803 400 A CB 0.426 19.405 19.000 -0.034 0.000 1.043 400 A HN 0.228 nan 8.150 nan 0.000 0.488 401 P HA -0.017 nan 4.420 nan 0.000 0.260 401 P C 0.106 177.518 177.300 0.187 0.000 1.172 401 P CA 0.523 63.675 63.100 0.086 0.000 0.760 401 P CB 0.144 31.855 31.700 0.018 0.000 0.773 402 N N 2.213 121.105 118.700 0.321 0.000 2.279 402 N HA 0.042 4.783 4.740 0.001 0.000 0.226 402 N C -0.612 175.216 175.510 0.531 0.000 1.126 402 N CA -0.609 52.684 53.050 0.405 0.000 0.846 402 N CB -0.057 38.582 38.487 0.252 0.000 1.050 402 N HN 0.343 nan 8.380 nan 0.000 0.502 403 Y N -2.409 118.026 120.300 0.226 0.000 2.512 403 Y HA 0.634 5.185 4.550 0.001 0.000 0.348 403 Y C -1.745 173.931 175.900 -0.374 0.000 0.990 403 Y CA -2.099 55.966 58.100 -0.059 0.000 1.033 403 Y CB 0.658 39.112 38.460 -0.009 0.000 1.259 403 Y HN -0.052 nan 8.280 nan 0.000 0.461 404 Y N 4.473 124.349 120.300 -0.706 0.000 2.391 404 Y HA 0.737 5.288 4.550 0.001 0.000 0.341 404 Y C -2.560 173.200 175.900 -0.234 0.000 0.965 404 Y CA -2.841 54.828 58.100 -0.718 0.000 1.067 404 Y CB 1.663 39.528 38.460 -0.992 0.000 1.199 404 Y HN 0.763 nan 8.280 nan 0.000 0.450 405 P HA 0.409 nan 4.420 nan 0.000 0.278 405 P C -1.822 175.307 177.300 -0.284 0.000 1.266 405 P CA -0.518 62.199 63.100 -0.639 0.000 0.807 405 P CB 1.693 33.034 31.700 -0.598 0.000 1.094 406 N N -2.695 115.867 118.700 -0.229 0.000 2.610 406 N HA 0.350 5.090 4.740 0.001 0.000 0.264 406 N C -0.915 174.585 175.510 -0.015 0.000 1.348 406 N CA -0.908 52.074 53.050 -0.112 0.000 0.819 406 N CB 0.954 39.188 38.487 -0.421 0.000 1.521 406 N HN 0.055 nan 8.380 nan 0.000 0.497 407 S N 0.147 115.848 115.700 0.002 0.000 2.506 407 S HA 0.317 4.787 4.470 0.001 0.000 0.245 407 S C -0.849 173.333 174.600 -0.696 0.000 1.088 407 S CA -0.495 57.509 58.200 -0.326 0.000 1.099 407 S CB -0.941 62.010 63.200 -0.415 0.000 0.805 407 S HN 0.535 nan 8.310 nan 0.000 0.461 408 F N 0.520 120.467 119.950 -0.005 0.000 2.791 408 F HA 0.340 4.868 4.527 0.001 0.000 0.316 408 F C 0.996 176.800 175.800 0.007 0.000 1.134 408 F CA -0.551 57.456 58.000 0.011 0.000 1.222 408 F CB 0.151 39.170 39.000 0.033 0.000 1.034 408 F HN 0.084 nan 8.300 nan 0.000 0.516 409 S N 0.793 116.549 115.700 0.093 0.000 3.748 409 S HA -0.119 4.351 4.470 0.001 0.000 0.329 409 S C 0.455 175.103 174.600 0.080 0.000 1.104 409 S CA 0.193 58.433 58.200 0.067 0.000 0.954 409 S CB -1.385 61.844 63.200 0.048 0.000 0.910 409 S HN 0.577 nan 8.310 nan 0.000 0.494 410 A N 1.093 123.984 122.820 0.119 0.000 2.246 410 A HA 0.723 5.044 4.320 0.001 0.000 0.291 410 A C -2.108 175.531 177.584 0.091 0.000 1.103 410 A CA -1.518 50.576 52.037 0.094 0.000 0.844 410 A CB -0.163 18.948 19.000 0.186 0.000 1.136 410 A HN 0.238 nan 8.150 nan 0.000 0.500 411 P HA 0.146 nan 4.420 nan 0.000 0.263 411 P C -0.815 176.489 177.300 0.006 0.000 1.168 411 P CA 0.813 63.861 63.100 -0.087 0.000 0.759 411 P CB 0.226 31.753 31.700 -0.287 0.000 0.782 412 E N 1.236 121.422 120.200 -0.023 0.000 2.235 412 E HA 0.415 4.766 4.350 0.001 0.000 0.265 412 E C -0.461 176.095 176.600 -0.073 0.000 0.940 412 E CA -0.848 55.529 56.400 -0.038 0.000 0.819 412 E CB 0.294 29.971 29.700 -0.038 0.000 1.206 412 E HN 0.511 nan 8.360 nan 0.000 0.409 413 H N -0.896 118.205 119.070 0.052 0.000 2.620 413 H HA 0.202 4.758 4.556 0.001 0.000 0.313 413 H C -0.507 174.842 175.328 0.035 0.000 1.075 413 H CA -0.842 55.216 56.048 0.017 0.000 1.397 413 H CB 0.633 30.424 29.762 0.048 0.000 1.446 413 H HN 0.425 nan 8.280 nan 0.000 0.493 414 Q N 5.648 125.568 119.800 0.201 0.000 2.402 414 Q HA 0.104 4.445 4.340 0.001 0.000 0.238 414 Q C -1.554 174.517 176.000 0.117 0.000 1.126 414 Q CA -2.058 53.825 55.803 0.133 0.000 0.904 414 Q CB 0.719 29.490 28.738 0.056 0.000 1.357 414 Q HN 0.631 nan 8.270 nan 0.000 0.491 415 P HA -0.133 nan 4.420 nan 0.000 0.224 415 P C 0.372 177.688 177.300 0.027 0.000 1.142 415 P CA 0.958 64.094 63.100 0.060 0.000 0.778 415 P CB 0.339 32.090 31.700 0.086 0.000 0.764 416 S N -0.480 115.239 115.700 0.032 0.000 2.607 416 S HA 0.176 4.647 4.470 0.001 0.000 0.224 416 S C 1.800 176.403 174.600 0.006 0.000 0.969 416 S CA 0.659 58.869 58.200 0.016 0.000 0.927 416 S CB -0.247 62.963 63.200 0.017 0.000 0.772 416 S HN 0.247 nan 8.310 nan 0.000 0.533 417 A N 0.561 123.383 122.820 0.004 0.000 2.390 417 A HA 0.465 4.785 4.320 0.001 0.000 0.232 417 A C 0.557 178.138 177.584 -0.005 0.000 1.233 417 A CA -0.406 51.628 52.037 -0.006 0.000 0.907 417 A CB -0.084 18.909 19.000 -0.011 0.000 0.967 417 A HN 0.388 nan 8.150 nan 0.000 0.512 418 L N 1.550 122.769 121.223 -0.008 0.000 2.573 418 L HA -0.040 4.301 4.340 0.001 0.000 0.290 418 L C 0.427 177.304 176.870 0.012 0.000 1.247 418 L CA -0.173 54.660 54.840 -0.013 0.000 0.876 418 L CB 0.347 42.391 42.059 -0.025 0.000 1.123 418 L HN 0.399 nan 8.230 nan 0.000 0.505 419 E N 1.702 121.914 120.200 0.020 0.000 2.425 419 E HA -0.031 4.319 4.350 0.001 0.000 0.258 419 E C -0.107 176.543 176.600 0.082 0.000 1.151 419 E CA 0.019 56.454 56.400 0.059 0.000 0.958 419 E CB 0.178 29.914 29.700 0.059 0.000 0.968 419 E HN 0.340 nan 8.360 nan 0.000 0.451 420 H N 2.254 121.349 119.070 0.042 0.000 2.668 420 H HA 0.131 4.688 4.556 0.001 0.000 0.303 420 H C -0.327 175.034 175.328 0.055 0.000 1.074 420 H CA -0.490 55.583 56.048 0.041 0.000 1.406 420 H CB 0.473 30.269 29.762 0.056 0.000 1.442 420 H HN 0.368 nan 8.280 nan 0.000 0.482 421 R N 4.586 124.775 120.500 -0.519 0.000 2.421 421 R HA 0.129 4.470 4.340 0.001 0.000 0.305 421 R C -0.805 175.278 176.300 -0.362 0.000 1.039 421 R CA 0.137 56.037 56.100 -0.333 0.000 1.003 421 R CB 0.327 30.477 30.300 -0.249 0.000 0.959 421 R HN 0.635 nan 8.270 nan 0.000 0.427 422 T N 2.696 117.232 114.554 -0.031 0.000 2.888 422 T HA 0.265 4.615 4.350 0.001 0.000 0.288 422 T C -1.335 173.358 174.700 -0.012 0.000 1.063 422 T CA -0.660 61.454 62.100 0.023 0.000 1.010 422 T CB 1.249 70.215 68.868 0.163 0.000 1.214 422 T HN 0.694 nan 8.240 nan 0.000 0.533 423 H N -0.426 118.476 119.070 -0.280 0.000 2.529 423 H HA 0.636 5.192 4.556 0.001 0.000 0.348 423 H C -1.817 173.200 175.328 -0.518 0.000 1.079 423 H CA -0.786 55.121 56.048 -0.235 0.000 1.198 423 H CB 0.599 30.278 29.762 -0.138 0.000 1.521 423 H HN 0.439 nan 8.280 nan 0.000 0.514 424 F N 2.553 122.260 119.950 -0.405 0.000 2.539 424 F HA 0.386 4.914 4.527 0.001 0.000 0.318 424 F C -0.317 175.303 175.800 -0.300 0.000 1.135 424 F CA -0.661 57.215 58.000 -0.206 0.000 0.915 424 F CB 2.350 41.286 39.000 -0.107 0.000 1.176 424 F HN 0.428 nan 8.300 nan 0.000 0.440 425 S N 2.353 118.093 115.700 0.067 0.000 2.561 425 S HA 0.918 5.388 4.470 0.001 0.000 0.303 425 S C -0.452 174.206 174.600 0.097 0.000 1.110 425 S CA -0.034 58.209 58.200 0.071 0.000 1.034 425 S CB 1.200 64.494 63.200 0.157 0.000 1.010 425 S HN 1.236 nan 8.310 nan 0.000 0.482 426 G N 3.557 112.410 108.800 0.089 0.000 2.336 426 G HA2 0.286 4.246 3.960 0.001 0.000 0.300 426 G HA3 0.286 4.246 3.960 0.001 0.000 0.300 426 G C -2.206 172.777 174.900 0.137 0.000 1.375 426 G CA -0.934 44.228 45.100 0.104 0.000 0.885 426 G HN 0.602 nan 8.290 nan 0.000 0.599 427 D N -0.346 120.181 120.400 0.213 0.000 2.339 427 D HA 0.406 5.046 4.640 0.001 0.000 0.245 427 D C 0.971 177.421 176.300 0.248 0.000 1.115 427 D CA 0.142 54.264 54.000 0.203 0.000 0.917 427 D CB 1.814 42.727 40.800 0.188 0.000 1.192 427 D HN 0.863 nan 8.370 nan 0.000 0.428 428 V N -0.308 119.676 119.914 0.116 0.000 2.356 428 V HA 0.416 4.536 4.120 0.001 0.000 0.258 428 V C -0.350 175.729 176.094 -0.025 0.000 1.065 428 V CA -0.136 62.210 62.300 0.077 0.000 0.935 428 V CB -0.391 31.445 31.823 0.022 0.000 1.061 428 V HN 0.403 nan 8.190 nan 0.000 0.484 429 Q N 3.665 123.391 119.800 -0.124 0.000 2.626 429 Q HA 0.569 4.910 4.340 0.001 0.000 0.300 429 Q C -1.020 174.697 176.000 -0.471 0.000 0.988 429 Q CA -1.106 54.440 55.803 -0.428 0.000 0.761 429 Q CB 2.553 30.821 28.738 -0.784 0.000 1.494 429 Q HN 0.733 nan 8.270 nan 0.000 0.439 430 R N 1.108 121.361 120.500 -0.411 0.000 2.593 430 R HA 0.295 4.635 4.340 0.001 0.000 0.282 430 R C -0.979 175.159 176.300 -0.271 0.000 1.300 430 R CA -0.173 55.792 56.100 -0.225 0.000 1.221 430 R CB -0.275 29.953 30.300 -0.121 0.000 1.157 430 R HN 0.276 nan 8.270 nan 0.000 0.555 431 F N 1.725 121.684 119.950 0.015 0.000 2.471 431 F HA 0.034 4.562 4.527 0.001 0.000 0.365 431 F C 1.224 177.042 175.800 0.030 0.000 1.095 431 F CA -0.608 57.407 58.000 0.025 0.000 1.174 431 F CB 0.159 39.177 39.000 0.031 0.000 1.105 431 F HN 0.323 nan 8.300 nan 0.000 0.535 432 N N 1.959 120.760 118.700 0.169 0.000 2.423 432 N HA -0.065 4.676 4.740 0.001 0.000 0.275 432 N C 0.623 176.207 175.510 0.123 0.000 1.283 432 N CA 0.183 53.303 53.050 0.116 0.000 0.932 432 N CB 0.558 39.093 38.487 0.080 0.000 1.185 432 N HN 0.562 nan 8.380 nan 0.000 0.483 433 S N 1.999 117.764 115.700 0.108 0.000 2.572 433 S HA 0.215 4.686 4.470 0.001 0.000 0.228 433 S C 1.414 176.056 174.600 0.070 0.000 0.963 433 S CA -0.036 58.222 58.200 0.096 0.000 0.939 433 S CB 0.197 63.457 63.200 0.099 0.000 0.804 433 S HN 0.469 nan 8.310 nan 0.000 0.480 434 A N 2.302 125.157 122.820 0.059 0.000 2.121 434 A HA 0.103 4.424 4.320 0.001 0.000 0.218 434 A C 1.426 179.026 177.584 0.027 0.000 1.154 434 A CA 0.899 52.958 52.037 0.037 0.000 0.679 434 A CB -0.577 18.440 19.000 0.028 0.000 0.795 434 A HN 0.752 nan 8.150 nan 0.000 0.458 435 N N 0.024 118.748 118.700 0.040 0.000 2.338 435 N HA 0.110 4.851 4.740 0.001 0.000 0.251 435 N C -1.160 174.378 175.510 0.047 0.000 1.199 435 N CA -0.231 52.840 53.050 0.036 0.000 0.879 435 N CB 0.458 38.970 38.487 0.041 0.000 1.159 435 N HN 0.169 nan 8.380 nan 0.000 0.514 436 D N 2.005 122.433 120.400 0.047 0.000 2.801 436 D HA -0.005 4.635 4.640 0.001 0.000 0.232 436 D C -0.450 175.860 176.300 0.017 0.000 1.128 436 D CA 0.379 54.416 54.000 0.062 0.000 1.003 436 D CB -0.451 40.392 40.800 0.072 0.000 1.110 436 D HN 0.152 nan 8.370 nan 0.000 0.477 437 D N 1.558 121.975 120.400 0.029 0.000 5.581 437 D HA -0.193 4.447 4.640 0.001 0.000 0.244 437 D C -0.570 175.668 176.300 -0.103 0.000 1.377 437 D CA 0.442 54.437 54.000 -0.009 0.000 1.413 437 D CB -0.015 40.814 40.800 0.049 0.000 0.741 437 D HN 0.286 nan 8.370 nan 0.000 0.393 438 N N 2.852 121.508 118.700 -0.074 0.000 2.351 438 N HA 0.118 4.858 4.740 0.001 0.000 0.254 438 N C 1.113 176.565 175.510 -0.097 0.000 1.241 438 N CA 0.560 53.553 53.050 -0.095 0.000 0.883 438 N CB 1.152 39.596 38.487 -0.072 0.000 1.202 438 N HN 0.382 nan 8.380 nan 0.000 0.512 439 V N -4.420 115.442 119.914 -0.087 0.000 3.177 439 V HA 0.125 4.246 4.120 0.001 0.000 0.220 439 V C 1.948 178.012 176.094 -0.051 0.000 1.395 439 V CA 0.305 62.574 62.300 -0.051 0.000 1.317 439 V CB -0.339 31.483 31.823 -0.001 0.000 1.148 439 V HN -0.095 nan 8.190 nan 0.000 0.499 440 T N 1.310 115.856 114.554 -0.013 0.000 2.481 440 T HA -0.366 3.984 4.350 0.001 0.000 0.252 440 T C 1.896 176.598 174.700 0.003 0.000 1.242 440 T CA 3.099 65.231 62.100 0.052 0.000 1.170 440 T CB -0.674 68.322 68.868 0.213 0.000 0.860 440 T HN 0.625 nan 8.240 nan 0.000 0.422 441 Q N 0.158 119.900 119.800 -0.097 0.000 2.297 441 Q HA -0.070 4.270 4.340 0.001 0.000 0.208 441 Q C 2.525 178.334 176.000 -0.319 0.000 0.981 441 Q CA 0.971 56.687 55.803 -0.146 0.000 0.876 441 Q CB -0.353 28.272 28.738 -0.187 0.000 0.921 441 Q HN 0.424 nan 8.270 nan 0.000 0.446 442 V N 0.562 120.253 119.914 -0.371 0.000 2.346 442 V HA -0.221 3.899 4.120 0.001 0.000 0.244 442 V C 2.348 178.482 176.094 0.068 0.000 1.037 442 V CA 1.731 63.891 62.300 -0.233 0.000 1.029 442 V CB -0.576 31.169 31.823 -0.130 0.000 0.663 442 V HN 0.303 nan 8.190 nan 0.000 0.454 443 R N 0.950 121.493 120.500 0.071 0.000 2.096 443 R HA -0.205 4.135 4.340 0.001 0.000 0.240 443 R C 2.204 178.593 176.300 0.148 0.000 1.139 443 R CA 2.242 58.431 56.100 0.147 0.000 0.952 443 R CB -0.560 29.824 30.300 0.139 0.000 0.854 443 R HN 0.677 nan 8.270 nan 0.000 0.436 444 T N -2.008 112.615 114.554 0.115 0.000 3.163 444 T HA -0.069 4.282 4.350 0.001 0.000 0.260 444 T C 1.208 175.987 174.700 0.131 0.000 1.156 444 T CA 0.429 62.591 62.100 0.104 0.000 1.072 444 T CB -0.159 68.768 68.868 0.098 0.000 0.937 444 T HN 0.356 nan 8.240 nan 0.000 0.528 445 F N 0.092 120.052 119.950 0.018 0.000 2.437 445 F HA 0.267 4.794 4.527 0.001 0.000 0.288 445 F C 1.827 177.631 175.800 0.006 0.000 1.085 445 F CA -0.723 57.298 58.000 0.036 0.000 1.430 445 F CB -0.253 38.795 39.000 0.081 0.000 1.120 445 F HN 0.084 nan 8.300 nan 0.000 0.556 446 Y N 2.322 122.431 120.300 -0.319 0.000 2.060 446 Y HA -0.027 4.524 4.550 0.001 0.000 0.276 446 Y C 0.807 176.468 175.900 -0.398 0.000 1.127 446 Y CA 1.938 59.730 58.100 -0.512 0.000 1.104 446 Y CB -0.820 37.328 38.460 -0.519 0.000 0.983 446 Y HN 0.022 nan 8.280 nan 0.000 0.483 447 L N 0.198 121.270 121.223 -0.252 0.000 2.598 447 L HA 0.498 4.839 4.340 0.001 0.000 0.241 447 L C 0.091 176.867 176.870 -0.157 0.000 1.244 447 L CA 0.103 54.767 54.840 -0.293 0.000 1.198 447 L CB 0.554 42.523 42.059 -0.150 0.000 1.448 447 L HN 0.182 nan 8.230 nan 0.000 0.406 448 K N -0.240 120.040 120.400 -0.200 0.000 3.080 448 K HA 0.155 4.475 4.320 0.001 0.000 0.258 448 K C 1.181 177.699 176.600 -0.137 0.000 2.628 448 K CA 0.880 57.097 56.287 -0.116 0.000 1.553 448 K CB -0.427 32.052 32.500 -0.035 0.000 2.878 448 K HN -0.056 nan 8.250 nan 0.000 0.454 449 V N 2.315 122.130 119.914 -0.166 0.000 2.548 449 V HA 0.114 4.235 4.120 0.001 0.000 0.249 449 V C 1.208 177.151 176.094 -0.252 0.000 1.055 449 V CA 1.179 63.392 62.300 -0.145 0.000 1.065 449 V CB -0.376 31.440 31.823 -0.011 0.000 0.681 449 V HN 0.139 nan 8.190 nan 0.000 0.462 450 L N 0.649 121.611 121.223 -0.436 0.000 2.400 450 L HA 0.414 4.755 4.340 0.001 0.000 0.264 450 L C -0.043 176.642 176.870 -0.309 0.000 1.061 450 L CA -0.580 54.019 54.840 -0.403 0.000 0.799 450 L CB 1.077 42.797 42.059 -0.566 0.000 1.240 450 L HN 0.363 nan 8.230 nan 0.000 0.461 451 N N -1.555 116.997 118.700 -0.246 0.000 2.404 451 N HA 0.149 4.890 4.740 0.001 0.000 0.297 451 N C 0.220 175.595 175.510 -0.225 0.000 1.163 451 N CA -0.774 52.153 53.050 -0.206 0.000 0.864 451 N CB 0.935 39.340 38.487 -0.136 0.000 1.247 451 N HN 0.489 nan 8.380 nan 0.000 0.510 452 E N -0.113 119.965 120.200 -0.205 0.000 2.187 452 E HA -0.272 4.078 4.350 0.001 0.000 0.199 452 E C 1.130 177.648 176.600 -0.137 0.000 1.004 452 E CA 1.395 57.681 56.400 -0.190 0.000 0.813 452 E CB -0.101 29.513 29.700 -0.142 0.000 0.736 452 E HN 0.659 nan 8.360 nan 0.000 0.468 453 E N 0.369 120.502 120.200 -0.111 0.000 2.015 453 E HA -0.195 4.155 4.350 0.001 0.000 0.191 453 E C 1.944 178.501 176.600 -0.072 0.000 0.991 453 E CA 1.744 58.098 56.400 -0.077 0.000 0.802 453 E CB -0.234 29.428 29.700 -0.065 0.000 0.759 453 E HN 0.682 nan 8.360 nan 0.000 0.447 454 Q N -0.304 119.442 119.800 -0.090 0.000 2.472 454 Q HA 0.010 4.350 4.340 0.001 0.000 0.208 454 Q C 2.008 177.956 176.000 -0.086 0.000 0.958 454 Q CA 0.389 56.147 55.803 -0.075 0.000 0.932 454 Q CB -0.077 28.609 28.738 -0.086 0.000 1.007 454 Q HN 0.053 nan 8.270 nan 0.000 0.508 455 R N 1.259 121.672 120.500 -0.144 0.000 2.115 455 R HA -0.036 4.304 4.340 0.001 0.000 0.226 455 R C 2.098 178.393 176.300 -0.009 0.000 1.100 455 R CA 1.277 57.275 56.100 -0.170 0.000 0.980 455 R CB 0.140 30.204 30.300 -0.393 0.000 0.875 455 R HN 0.201 nan 8.270 nan 0.000 0.445 456 K N 0.088 120.475 120.400 -0.022 0.000 2.116 456 K HA -0.129 4.191 4.320 0.001 0.000 0.203 456 K C 2.072 178.698 176.600 0.042 0.000 1.052 456 K CA 0.958 57.257 56.287 0.020 0.000 0.952 456 K CB 0.086 32.583 32.500 -0.005 0.000 0.729 456 K HN -0.087 nan 8.250 nan 0.000 0.446 457 R N 0.656 121.175 120.500 0.032 0.000 2.096 457 R HA -0.123 4.217 4.340 0.001 0.000 0.235 457 R C 2.248 178.608 176.300 0.098 0.000 1.127 457 R CA 1.246 57.380 56.100 0.056 0.000 0.968 457 R CB -0.312 30.010 30.300 0.038 0.000 0.861 457 R HN 0.250 nan 8.270 nan 0.000 0.440 458 L N -0.225 121.065 121.223 0.111 0.000 1.973 458 L HA -0.168 4.172 4.340 0.001 0.000 0.208 458 L C 1.949 178.911 176.870 0.154 0.000 1.073 458 L CA 1.862 56.811 54.840 0.181 0.000 0.746 458 L CB -1.168 41.020 42.059 0.215 0.000 0.891 458 L HN 0.170 nan 8.230 nan 0.000 0.433 459 C N 0.336 119.718 119.300 0.137 0.000 2.398 459 C HA -0.180 4.281 4.460 0.001 0.000 0.279 459 C C 2.595 177.574 174.990 -0.019 0.000 1.250 459 C CA 1.338 60.369 59.018 0.021 0.000 1.786 459 C CB -1.199 26.576 27.740 0.058 0.000 2.018 459 C HN 0.662 nan 8.230 nan 0.000 0.494 460 E N 0.427 120.660 120.200 0.056 0.000 2.016 460 E HA -0.137 4.214 4.350 0.001 0.000 0.190 460 E C 1.857 178.528 176.600 0.120 0.000 0.985 460 E CA 1.048 57.507 56.400 0.097 0.000 0.802 460 E CB -0.353 29.411 29.700 0.106 0.000 0.762 460 E HN 0.698 nan 8.360 nan 0.000 0.448 461 N N 0.916 119.712 118.700 0.160 0.000 2.037 461 N HA -0.225 4.516 4.740 0.001 0.000 0.196 461 N C 2.028 177.654 175.510 0.193 0.000 1.034 461 N CA 1.221 54.433 53.050 0.270 0.000 0.861 461 N CB -0.227 38.504 38.487 0.407 0.000 1.039 461 N HN 0.079 nan 8.380 nan 0.000 0.427 462 I N 1.231 121.739 120.570 -0.103 0.000 2.076 462 I HA -0.299 3.871 4.170 0.001 0.000 0.237 462 I C 2.576 178.465 176.117 -0.379 0.000 1.059 462 I CA 1.178 62.120 61.300 -0.598 0.000 1.317 462 I CB -0.537 37.036 38.000 -0.711 0.000 1.037 462 I HN 0.179 nan 8.210 nan 0.000 0.398 463 A N 0.899 123.534 122.820 -0.308 0.000 1.986 463 A HA -0.199 4.121 4.320 0.001 0.000 0.220 463 A C 2.316 179.636 177.584 -0.440 0.000 1.171 463 A CA 1.992 53.849 52.037 -0.301 0.000 0.640 463 A CB -1.493 17.446 19.000 -0.101 0.000 0.811 463 A HN 0.556 nan 8.150 nan 0.000 0.451 464 G N -2.624 105.985 108.800 -0.318 0.000 2.625 464 G HA2 -0.156 3.804 3.960 0.001 0.000 0.214 464 G HA3 -0.156 3.804 3.960 0.001 0.000 0.214 464 G C 1.386 176.157 174.900 -0.216 0.000 1.132 464 G CA 1.191 46.004 45.100 -0.479 0.000 0.782 464 G HN 0.731 nan 8.290 nan 0.000 0.538 465 H N -0.666 118.323 119.070 -0.135 0.000 2.408 465 H HA 0.239 4.796 4.556 0.001 0.000 0.271 465 H C 2.161 177.494 175.328 0.009 0.000 0.957 465 H CA -0.147 55.961 56.048 0.099 0.000 1.170 465 H CB -0.019 30.031 29.762 0.480 0.000 1.458 465 H HN 0.185 nan 8.280 nan 0.000 0.491 466 L N 2.309 123.448 121.223 -0.139 0.000 2.187 466 L HA -0.189 4.152 4.340 0.001 0.000 0.213 466 L C 2.625 179.256 176.870 -0.397 0.000 1.100 466 L CA 1.672 56.113 54.840 -0.665 0.000 0.765 466 L CB -0.255 41.178 42.059 -1.044 0.000 0.904 466 L HN 0.356 nan 8.230 nan 0.000 0.437 467 K N -0.900 119.288 120.400 -0.353 0.000 2.074 467 K HA -0.237 4.083 4.320 0.001 0.000 0.209 467 K C 1.247 177.727 176.600 -0.201 0.000 1.048 467 K CA 1.963 58.077 56.287 -0.288 0.000 0.926 467 K CB -0.549 31.708 32.500 -0.405 0.000 0.713 467 K HN 0.327 nan 8.250 nan 0.000 0.444 468 D N 1.399 121.677 120.400 -0.202 0.000 2.378 468 D HA 0.001 4.641 4.640 0.001 0.000 0.222 468 D C 0.508 176.748 176.300 -0.099 0.000 0.980 468 D CA 0.801 54.715 54.000 -0.143 0.000 0.907 468 D CB 0.084 40.780 40.800 -0.173 0.000 0.899 468 D HN 0.454 nan 8.370 nan 0.000 0.527 469 A N 0.669 123.426 122.820 -0.106 0.000 2.302 469 A HA 0.193 4.514 4.320 0.001 0.000 0.285 469 A C 0.587 178.086 177.584 -0.141 0.000 1.105 469 A CA -0.464 51.521 52.037 -0.087 0.000 0.816 469 A CB 0.759 19.723 19.000 -0.059 0.000 1.067 469 A HN -0.019 nan 8.150 nan 0.000 0.489 470 Q N 0.093 119.790 119.800 -0.172 0.000 2.394 470 Q HA -0.004 4.336 4.340 0.001 0.000 0.303 470 Q C 0.891 176.762 176.000 -0.214 0.000 1.117 470 Q CA 0.059 55.773 55.803 -0.149 0.000 0.966 470 Q CB 0.354 29.033 28.738 -0.098 0.000 1.275 470 Q HN 0.748 nan 8.270 nan 0.000 0.429 471 L N 1.842 123.029 121.223 -0.060 0.000 2.083 471 L HA -0.226 4.114 4.340 0.001 0.000 0.209 471 L C 2.105 178.957 176.870 -0.031 0.000 1.083 471 L CA 1.236 56.051 54.840 -0.041 0.000 0.752 471 L CB -0.298 41.776 42.059 0.025 0.000 0.899 471 L HN 0.764 nan 8.230 nan 0.000 0.433 472 F N -1.019 118.936 119.950 0.008 0.000 2.269 472 F HA -0.164 4.363 4.527 0.001 0.000 0.301 472 F C 1.976 177.789 175.800 0.023 0.000 1.082 472 F CA 1.101 59.109 58.000 0.013 0.000 1.360 472 F CB -0.574 38.436 39.000 0.017 0.000 1.041 472 F HN -0.069 nan 8.300 nan 0.000 0.512 473 I N 0.432 120.461 120.570 -0.902 0.000 2.339 473 I HA -0.184 3.986 4.170 0.001 0.000 0.245 473 I C 2.556 178.528 176.117 -0.243 0.000 1.096 473 I CA 0.929 61.844 61.300 -0.641 0.000 1.408 473 I CB -0.684 36.879 38.000 -0.729 0.000 1.092 473 I HN 0.195 nan 8.210 nan 0.000 0.423 474 Q N 1.040 120.700 119.800 -0.234 0.000 2.096 474 Q HA -0.280 4.060 4.340 0.001 0.000 0.208 474 Q C 2.176 178.111 176.000 -0.108 0.000 0.993 474 Q CA 1.918 57.612 55.803 -0.182 0.000 0.862 474 Q CB -0.117 28.521 28.738 -0.166 0.000 0.915 474 Q HN 0.466 nan 8.270 nan 0.000 0.416 475 K N 0.715 121.078 120.400 -0.061 0.000 1.965 475 K HA -0.196 4.125 4.320 0.001 0.000 0.214 475 K C 2.067 178.664 176.600 -0.006 0.000 1.046 475 K CA 1.390 57.665 56.287 -0.020 0.000 0.944 475 K CB -0.252 32.255 32.500 0.013 0.000 0.726 475 K HN -0.051 nan 8.250 nan 0.000 0.441 476 K N 0.788 121.199 120.400 0.018 0.000 2.163 476 K HA -0.280 4.040 4.320 0.001 0.000 0.210 476 K C 1.872 178.473 176.600 0.002 0.000 1.048 476 K CA 1.706 58.010 56.287 0.028 0.000 0.928 476 K CB -0.232 32.309 32.500 0.069 0.000 0.716 476 K HN 0.295 nan 8.250 nan 0.000 0.459 477 A N -0.129 122.690 122.820 -0.002 0.000 1.841 477 A HA -0.110 4.210 4.320 0.001 0.000 0.214 477 A C 2.278 179.877 177.584 0.025 0.000 1.195 477 A CA 1.710 53.746 52.037 -0.001 0.000 0.611 477 A CB -0.864 18.128 19.000 -0.013 0.000 0.835 477 A HN 0.134 nan 8.150 nan 0.000 0.443 478 V N 0.807 120.757 119.914 0.060 0.000 2.282 478 V HA -0.331 3.790 4.120 0.001 0.000 0.249 478 V C 2.623 178.746 176.094 0.047 0.000 1.057 478 V CA 2.734 65.093 62.300 0.097 0.000 1.032 478 V CB -0.750 31.065 31.823 -0.013 0.000 0.645 478 V HN 0.756 nan 8.190 nan 0.000 0.447 479 K N 1.263 121.664 120.400 0.001 0.000 2.032 479 K HA -0.269 4.051 4.320 0.001 0.000 0.218 479 K C 1.753 178.329 176.600 -0.041 0.000 1.054 479 K CA 2.491 58.771 56.287 -0.013 0.000 0.941 479 K CB -0.715 31.778 32.500 -0.012 0.000 0.720 479 K HN 0.541 nan 8.250 nan 0.000 0.449 480 N N -0.090 118.544 118.700 -0.110 0.000 2.025 480 N HA -0.169 4.571 4.740 0.001 0.000 0.194 480 N C 1.849 177.243 175.510 -0.192 0.000 1.044 480 N CA 1.858 54.790 53.050 -0.198 0.000 0.851 480 N CB -0.696 37.580 38.487 -0.353 0.000 1.036 480 N HN 0.199 nan 8.380 nan 0.000 0.422 481 F N 1.759 121.607 119.950 -0.170 0.000 2.192 481 F HA -0.106 4.421 4.527 0.001 0.000 0.301 481 F C 2.638 178.329 175.800 -0.182 0.000 1.079 481 F CA 0.743 58.547 58.000 -0.325 0.000 1.303 481 F CB -0.729 37.891 39.000 -0.633 0.000 1.024 481 F HN -0.028 nan 8.300 nan 0.000 0.494 482 S N -0.237 115.496 115.700 0.055 0.000 2.359 482 S HA -0.197 4.273 4.470 0.001 0.000 0.224 482 S C 1.657 176.289 174.600 0.053 0.000 1.035 482 S CA 1.571 59.800 58.200 0.048 0.000 1.018 482 S CB -0.409 62.805 63.200 0.023 0.000 0.876 482 S HN 0.380 nan 8.310 nan 0.000 0.448 483 D N 0.833 121.247 120.400 0.024 0.000 2.263 483 D HA -0.032 4.608 4.640 0.001 0.000 0.208 483 D C 1.827 178.157 176.300 0.050 0.000 0.971 483 D CA 0.534 54.545 54.000 0.018 0.000 0.867 483 D CB -0.196 40.600 40.800 -0.007 0.000 0.929 483 D HN 0.233 nan 8.370 nan 0.000 0.492 484 V N -0.326 119.651 119.914 0.104 0.000 2.591 484 V HA -0.075 4.046 4.120 0.001 0.000 0.249 484 V C 0.731 176.966 176.094 0.235 0.000 1.053 484 V CA 0.964 63.368 62.300 0.172 0.000 1.068 484 V CB -0.176 31.836 31.823 0.315 0.000 0.689 484 V HN 0.331 nan 8.190 nan 0.000 0.462 485 H N -2.142 116.994 119.070 0.110 0.000 3.069 485 H HA 0.142 4.698 4.556 0.001 0.000 0.294 485 H C -2.678 172.696 175.328 0.078 0.000 1.144 485 H CA -0.890 55.218 56.048 0.100 0.000 1.579 485 H CB 1.782 31.625 29.762 0.134 0.000 2.174 485 H HN -0.121 nan 8.280 nan 0.000 0.456 486 P HA -0.148 nan 4.420 nan 0.000 0.217 486 P C 0.958 178.426 177.300 0.280 0.000 1.148 486 P CA 1.659 64.874 63.100 0.193 0.000 0.834 486 P CB 0.482 32.234 31.700 0.086 0.000 0.783 487 E N -1.919 118.612 120.200 0.552 0.000 2.046 487 E HA -0.191 4.159 4.350 0.001 0.000 0.190 487 E C 1.804 178.482 176.600 0.129 0.000 0.982 487 E CA 0.739 57.283 56.400 0.240 0.000 0.800 487 E CB -0.727 29.039 29.700 0.110 0.000 0.756 487 E HN 0.238 nan 8.360 nan 0.000 0.449 488 Y N 1.125 121.297 120.300 -0.213 0.000 2.651 488 Y HA -0.066 4.485 4.550 0.001 0.000 0.296 488 Y C 1.694 177.432 175.900 -0.269 0.000 1.150 488 Y CA 1.096 58.821 58.100 -0.625 0.000 1.348 488 Y CB -0.253 37.488 38.460 -1.199 0.000 0.983 488 Y HN -0.009 nan 8.280 nan 0.000 0.555 489 G N -2.534 106.206 108.800 -0.100 0.000 2.748 489 G HA2 -0.019 3.942 3.960 0.001 0.000 0.204 489 G HA3 -0.019 3.942 3.960 0.001 0.000 0.204 489 G C 1.658 176.505 174.900 -0.088 0.000 1.095 489 G CA 0.493 45.517 45.100 -0.128 0.000 0.775 489 G HN 0.316 nan 8.290 nan 0.000 0.531 490 S N 0.620 116.309 115.700 -0.020 0.000 2.377 490 S HA 0.027 4.497 4.470 0.001 0.000 0.223 490 S C 2.400 176.983 174.600 -0.028 0.000 1.030 490 S CA 0.439 58.634 58.200 -0.009 0.000 0.970 490 S CB -0.067 63.151 63.200 0.031 0.000 0.830 490 S HN 0.296 nan 8.310 nan 0.000 0.473 491 R N 1.018 121.509 120.500 -0.015 0.000 2.082 491 R HA -0.056 4.285 4.340 0.001 0.000 0.234 491 R C 2.228 178.487 176.300 -0.068 0.000 1.136 491 R CA 1.566 57.658 56.100 -0.013 0.000 0.935 491 R CB -0.780 29.546 30.300 0.043 0.000 0.842 491 R HN 0.359 nan 8.270 nan 0.000 0.430 492 I N 0.921 121.396 120.570 -0.158 0.000 2.151 492 I HA -0.361 3.809 4.170 0.001 0.000 0.243 492 I C 2.819 178.834 176.117 -0.169 0.000 1.080 492 I CA 1.570 62.722 61.300 -0.246 0.000 1.339 492 I CB -0.353 37.335 38.000 -0.521 0.000 1.039 492 I HN 0.232 nan 8.210 nan 0.000 0.409 493 Q N 1.241 120.957 119.800 -0.139 0.000 2.014 493 Q HA -0.239 4.102 4.340 0.001 0.000 0.207 493 Q C 2.183 178.151 176.000 -0.053 0.000 0.993 493 Q CA 2.657 58.406 55.803 -0.090 0.000 0.850 493 Q CB -0.520 28.181 28.738 -0.062 0.000 0.916 493 Q HN 0.473 nan 8.270 nan 0.000 0.417 494 A N 0.721 123.517 122.820 -0.040 0.000 1.881 494 A HA -0.254 4.067 4.320 0.001 0.000 0.219 494 A C 2.043 179.619 177.584 -0.015 0.000 1.215 494 A CA 1.980 54.003 52.037 -0.024 0.000 0.648 494 A CB -1.240 17.748 19.000 -0.020 0.000 0.832 494 A HN 0.513 nan 8.150 nan 0.000 0.455 495 L N -0.618 120.601 121.223 -0.008 0.000 2.021 495 L HA -0.233 4.107 4.340 0.001 0.000 0.215 495 L C 2.673 179.626 176.870 0.138 0.000 1.074 495 L CA 1.942 56.809 54.840 0.045 0.000 0.760 495 L CB -1.569 40.535 42.059 0.074 0.000 0.889 495 L HN 0.459 nan 8.230 nan 0.000 0.433 496 L N -0.609 120.656 121.223 0.071 0.000 2.012 496 L HA -0.258 4.082 4.340 0.001 0.000 0.210 496 L C 2.319 179.227 176.870 0.064 0.000 1.073 496 L CA 1.386 56.261 54.840 0.059 0.000 0.748 496 L CB -0.730 41.295 42.059 -0.057 0.000 0.891 496 L HN 0.311 nan 8.230 nan 0.000 0.431 497 D N 0.046 120.458 120.400 0.019 0.000 2.190 497 D HA -0.237 4.403 4.640 0.001 0.000 0.200 497 D C 2.044 178.351 176.300 0.011 0.000 0.992 497 D CA 1.354 55.359 54.000 0.008 0.000 0.854 497 D CB -0.074 40.722 40.800 -0.007 0.000 0.936 497 D HN 0.369 nan 8.370 nan 0.000 0.462 498 K N -0.176 120.226 120.400 0.002 0.000 2.021 498 K HA -0.137 4.183 4.320 0.001 0.000 0.205 498 K C 2.210 178.796 176.600 -0.022 0.000 1.047 498 K CA 0.598 56.858 56.287 -0.045 0.000 0.943 498 K CB -0.162 32.268 32.500 -0.118 0.000 0.725 498 K HN 0.006 nan 8.250 nan 0.000 0.439 499 Y N 1.646 121.923 120.300 -0.038 0.000 2.165 499 Y HA -0.184 4.367 4.550 0.001 0.000 0.286 499 Y C 1.961 177.840 175.900 -0.035 0.000 1.155 499 Y CA 1.798 59.877 58.100 -0.036 0.000 1.164 499 Y CB -0.488 37.944 38.460 -0.046 0.000 0.978 499 Y HN 0.245 nan 8.280 nan 0.000 0.513 500 N N 0.317 119.100 118.700 0.138 0.000 2.585 500 N HA -0.094 4.647 4.740 0.001 0.000 0.188 500 N C -0.262 175.269 175.510 0.034 0.000 1.102 500 N CA 1.015 54.100 53.050 0.057 0.000 0.920 500 N CB -0.079 38.424 38.487 0.026 0.000 0.963 500 N HN 0.187 nan 8.380 nan 0.000 0.447 501 E N 0.000 120.218 120.200 0.030 0.000 2.725 501 E HA 0.000 4.350 4.350 0.001 0.000 0.291 501 E CA 0.000 56.407 56.400 0.011 0.000 0.976 501 E CB 0.000 29.708 29.700 0.013 0.000 0.812 501 E HN 0.000 nan 8.360 nan 0.000 0.440