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 1th2_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 0.000 175.534 175.510 0.040 0.000 1.280 3 N CA 0.000 53.075 53.050 0.042 0.000 0.885 3 N CB 0.000 38.516 38.487 0.048 0.000 1.341 4 R N 0.496 121.018 120.500 0.038 0.000 2.748 4 R HA 0.467 4.807 4.340 0.001 0.000 0.220 4 R C 0.170 176.505 176.300 0.058 0.000 1.404 4 R CA -0.805 55.316 56.100 0.035 0.000 1.039 4 R CB 0.147 30.456 30.300 0.015 0.000 1.904 4 R HN 0.400 nan 8.270 nan 0.000 0.529 5 D N 0.748 121.182 120.400 0.057 0.000 2.371 5 D HA 0.018 4.658 4.640 0.001 0.000 0.242 5 D C -1.631 174.754 176.300 0.141 0.000 1.218 5 D CA -1.570 52.483 54.000 0.089 0.000 0.945 5 D CB 0.199 41.044 40.800 0.075 0.000 1.137 5 D HN 0.140 nan 8.370 nan 0.000 0.464 6 P HA -0.240 nan 4.420 nan 0.000 0.215 6 P C 1.351 178.858 177.300 0.345 0.000 1.157 6 P CA 2.326 65.627 63.100 0.336 0.000 0.874 6 P CB -0.157 31.722 31.700 0.299 0.000 0.790 7 A N 0.467 123.499 122.820 0.352 0.000 1.852 7 A HA -0.235 4.086 4.320 0.001 0.000 0.217 7 A C 2.565 180.121 177.584 -0.046 0.000 1.215 7 A CA 2.964 55.047 52.037 0.075 0.000 0.641 7 A CB -1.787 17.164 19.000 -0.081 0.000 0.838 7 A HN 0.212 nan 8.150 nan 0.000 0.450 8 S N 0.102 115.783 115.700 -0.032 0.000 2.392 8 S HA -0.146 4.325 4.470 0.001 0.000 0.232 8 S C 0.850 175.399 174.600 -0.085 0.000 1.041 8 S CA 1.412 59.577 58.200 -0.058 0.000 1.026 8 S CB -0.437 62.744 63.200 -0.031 0.000 0.845 8 S HN 0.574 nan 8.310 nan 0.000 0.465 9 D N 1.200 121.530 120.400 -0.117 0.000 2.676 9 D HA 0.062 4.702 4.640 0.001 0.000 0.239 9 D C 1.481 177.532 176.300 -0.417 0.000 1.213 9 D CA 0.003 53.806 54.000 -0.329 0.000 0.835 9 D CB 0.054 40.529 40.800 -0.543 0.000 1.009 9 D HN 0.341 nan 8.370 nan 0.000 0.479 10 Q N 0.435 120.154 119.800 -0.135 0.000 1.941 10 Q HA -0.094 4.246 4.340 0.001 0.000 0.201 10 Q C 1.974 178.005 176.000 0.051 0.000 0.982 10 Q CA 0.956 56.759 55.803 -0.001 0.000 0.839 10 Q CB 0.002 28.727 28.738 -0.021 0.000 0.904 10 Q HN 0.330 nan 8.270 nan 0.000 0.427 11 M N 0.665 120.268 119.600 0.005 0.000 2.149 11 M HA -0.220 4.260 4.480 0.001 0.000 0.261 11 M C 2.193 178.585 176.300 0.153 0.000 1.064 11 M CA 1.754 57.090 55.300 0.060 0.000 1.102 11 M CB -0.376 32.213 32.600 -0.019 0.000 1.369 11 M HN 0.083 nan 8.290 nan 0.000 0.408 12 K N 0.462 120.878 120.400 0.026 0.000 1.971 12 K HA -0.227 4.094 4.320 0.001 0.000 0.221 12 K C 1.744 178.429 176.600 0.142 0.000 1.050 12 K CA 2.025 58.323 56.287 0.019 0.000 0.967 12 K CB -0.452 31.964 32.500 -0.140 0.000 0.733 12 K HN 0.301 nan 8.250 nan 0.000 0.445 13 H N -1.412 117.752 119.070 0.156 0.000 2.460 13 H HA -0.155 4.401 4.556 0.001 0.000 0.297 13 H C 1.742 177.169 175.328 0.165 0.000 1.103 13 H CA 1.437 57.569 56.048 0.140 0.000 1.292 13 H CB -0.589 29.260 29.762 0.145 0.000 1.376 13 H HN 0.505 nan 8.280 nan 0.000 0.531 14 W N 2.027 123.414 121.300 0.146 0.000 2.413 14 W HA -0.098 4.562 4.660 0.001 0.000 0.315 14 W C 2.702 179.265 176.519 0.072 0.000 1.186 14 W CA 1.619 59.024 57.345 0.100 0.000 1.326 14 W CB -0.081 29.423 29.460 0.073 0.000 1.153 14 W HN 0.016 nan 8.180 nan 0.000 0.489 15 K N 0.514 121.159 120.400 0.408 0.000 2.113 15 K HA -0.249 4.072 4.320 0.001 0.000 0.208 15 K C 1.749 178.361 176.600 0.020 0.000 1.047 15 K CA 2.077 58.492 56.287 0.214 0.000 0.928 15 K CB -0.274 32.375 32.500 0.249 0.000 0.716 15 K HN 0.275 nan 8.250 nan 0.000 0.446 16 E N 0.805 121.041 120.200 0.060 0.000 2.001 16 E HA -0.260 4.090 4.350 0.001 0.000 0.195 16 E C 1.950 178.520 176.600 -0.052 0.000 1.002 16 E CA 1.685 58.101 56.400 0.027 0.000 0.819 16 E CB -0.258 29.492 29.700 0.084 0.000 0.769 16 E HN 0.537 nan 8.360 nan 0.000 0.454 17 Q N 0.878 120.634 119.800 -0.074 0.000 2.585 17 Q HA -0.152 4.188 4.340 0.001 0.000 0.219 17 Q C 1.195 177.063 176.000 -0.220 0.000 0.984 17 Q CA 0.898 56.623 55.803 -0.130 0.000 0.915 17 Q CB -0.263 28.400 28.738 -0.126 0.000 0.967 17 Q HN 0.057 nan 8.270 nan 0.000 0.530 18 R N 0.309 120.645 120.500 -0.274 0.000 2.788 18 R HA 0.205 4.546 4.340 0.001 0.000 0.264 18 R C 1.132 177.338 176.300 -0.158 0.000 1.267 18 R CA 0.445 56.360 56.100 -0.308 0.000 1.213 18 R CB -0.273 29.783 30.300 -0.407 0.000 1.256 18 R HN 0.431 nan 8.270 nan 0.000 0.556 19 A N 1.362 124.115 122.820 -0.112 0.000 2.186 19 A HA -0.398 3.923 4.320 0.001 0.000 0.328 19 A C 1.332 178.886 177.584 -0.051 0.000 4.918 19 A CA 3.017 55.014 52.037 -0.068 0.000 1.011 19 A CB -1.189 17.773 19.000 -0.062 0.000 0.565 19 A HN 0.796 nan 8.150 nan 0.000 0.439 20 A N -3.324 119.470 122.820 -0.044 0.000 2.979 20 A HA 0.387 4.708 4.320 0.001 0.000 0.208 20 A C -0.091 177.473 177.584 -0.033 0.000 2.698 20 A CA 0.991 53.008 52.037 -0.033 0.000 1.571 20 A CB -1.383 17.595 19.000 -0.036 0.000 0.221 20 A HN 1.937 nan 8.150 nan 0.000 0.563 21 Q N 0.527 120.306 119.800 -0.036 0.000 2.313 21 Q HA 0.575 4.916 4.340 0.001 0.000 0.255 21 Q C -0.551 175.435 176.000 -0.022 0.000 0.944 21 Q CA -0.791 54.993 55.803 -0.032 0.000 0.881 21 Q CB 1.525 30.235 28.738 -0.046 0.000 1.375 21 Q HN 0.346 nan 8.270 nan 0.000 0.422 22 K N 1.937 122.333 120.400 -0.007 0.000 2.170 22 K HA 0.164 4.485 4.320 0.001 0.000 0.241 22 K C -1.918 174.691 176.600 0.016 0.000 1.071 22 K CA -0.903 55.388 56.287 0.007 0.000 0.822 22 K CB -0.256 32.250 32.500 0.010 0.000 1.097 22 K HN 0.601 nan 8.250 nan 0.000 0.522 23 P HA -0.276 nan 4.420 nan 0.000 0.220 23 P C -1.092 176.239 177.300 0.052 0.000 1.007 23 P CA 0.770 63.897 63.100 0.045 0.000 0.829 23 P CB -0.174 31.573 31.700 0.077 0.000 0.752 24 D N 1.651 122.090 120.400 0.065 0.000 2.378 24 D HA 0.084 4.724 4.640 0.001 0.000 0.238 24 D C 0.669 176.994 176.300 0.041 0.000 1.180 24 D CA -0.184 53.845 54.000 0.048 0.000 0.895 24 D CB 0.839 41.672 40.800 0.056 0.000 1.192 24 D HN 0.105 nan 8.370 nan 0.000 0.438 25 V N 2.059 121.990 119.914 0.029 0.000 2.572 25 V HA -0.057 4.064 4.120 0.001 0.000 0.291 25 V C 0.612 176.719 176.094 0.022 0.000 1.039 25 V CA -0.580 61.734 62.300 0.023 0.000 1.055 25 V CB 0.967 32.800 31.823 0.017 0.000 0.969 25 V HN 0.325 nan 8.190 nan 0.000 0.482 26 L N 7.130 128.365 121.223 0.020 0.000 2.584 26 L HA 0.282 4.623 4.340 0.001 0.000 0.272 26 L C 0.608 177.484 176.870 0.011 0.000 1.195 26 L CA 1.016 55.865 54.840 0.015 0.000 0.920 26 L CB 0.218 42.285 42.059 0.013 0.000 1.173 26 L HN 0.998 nan 8.230 nan 0.000 0.489 27 T N 0.611 115.168 114.554 0.006 0.000 2.907 27 T HA 0.748 5.098 4.350 0.001 0.000 0.290 27 T C 0.285 174.983 174.700 -0.004 0.000 1.066 27 T CA -0.181 61.921 62.100 0.003 0.000 1.012 27 T CB 1.295 70.164 68.868 0.002 0.000 1.184 27 T HN 0.713 nan 8.240 nan 0.000 0.522 28 T N -1.608 112.944 114.554 -0.003 0.000 2.793 28 T HA 0.494 4.844 4.350 0.001 0.000 0.299 28 T C 1.791 176.479 174.700 -0.021 0.000 1.038 28 T CA -0.045 62.050 62.100 -0.008 0.000 0.948 28 T CB -0.025 68.844 68.868 0.002 0.000 1.231 28 T HN 0.900 nan 8.240 nan 0.000 0.538 29 G N -0.389 108.395 108.800 -0.027 0.000 2.408 29 G HA2 0.095 4.056 3.960 0.001 0.000 0.217 29 G HA3 0.095 4.056 3.960 0.001 0.000 0.217 29 G C 1.593 176.481 174.900 -0.020 0.000 1.150 29 G CA 0.498 45.575 45.100 -0.038 0.000 0.776 29 G HN 0.985 nan 8.290 nan 0.000 0.542 30 G N -0.160 108.635 108.800 -0.009 0.000 2.448 30 G HA2 0.281 4.241 3.960 0.001 0.000 0.219 30 G HA3 0.281 4.241 3.960 0.001 0.000 0.219 30 G C 1.311 176.209 174.900 -0.003 0.000 1.127 30 G CA 1.081 46.179 45.100 -0.003 0.000 0.766 30 G HN 1.534 nan 8.290 nan 0.000 0.552 31 G N -0.804 107.994 108.800 -0.004 0.000 2.211 31 G HA2 -0.229 3.732 3.960 0.001 0.000 0.201 31 G HA3 -0.229 3.732 3.960 0.001 0.000 0.201 31 G C 0.115 175.016 174.900 0.002 0.000 0.997 31 G CA -0.080 45.019 45.100 -0.002 0.000 0.652 31 G HN 0.443 nan 8.290 nan 0.000 0.500 32 N N 2.550 121.252 118.700 0.003 0.000 2.497 32 N HA 0.415 5.156 4.740 0.001 0.000 0.268 32 N C -2.607 172.907 175.510 0.007 0.000 1.171 32 N CA -0.775 52.279 53.050 0.006 0.000 0.948 32 N CB 0.899 39.391 38.487 0.008 0.000 1.069 32 N HN 0.178 nan 8.380 nan 0.000 0.460 33 P HA 0.036 nan 4.420 nan 0.000 0.269 33 P C -0.395 176.912 177.300 0.011 0.000 1.209 33 P CA -0.167 62.938 63.100 0.009 0.000 0.776 33 P CB 0.635 32.340 31.700 0.009 0.000 0.876 34 V N 3.209 123.130 119.914 0.012 0.000 2.333 34 V HA 0.275 4.396 4.120 0.001 0.000 0.274 34 V C 1.662 177.764 176.094 0.013 0.000 1.028 34 V CA 0.364 62.673 62.300 0.014 0.000 0.851 34 V CB 0.492 32.324 31.823 0.016 0.000 1.000 34 V HN 0.812 nan 8.190 nan 0.000 0.456 35 G N 3.392 112.200 108.800 0.012 0.000 2.404 35 G HA2 -0.103 3.858 3.960 0.001 0.000 0.215 35 G HA3 -0.103 3.858 3.960 0.001 0.000 0.215 35 G C 0.303 175.208 174.900 0.008 0.000 1.174 35 G CA 0.843 45.949 45.100 0.010 0.000 0.780 35 G HN 0.673 nan 8.290 nan 0.000 0.537 36 D N -1.305 119.101 120.400 0.009 0.000 2.890 36 D HA 0.284 4.925 4.640 0.001 0.000 0.233 36 D C -0.129 176.177 176.300 0.010 0.000 1.306 36 D CA -0.750 53.254 54.000 0.006 0.000 0.929 36 D CB 1.237 42.037 40.800 0.001 0.000 1.512 36 D HN 0.248 nan 8.370 nan 0.000 0.568 37 K N 3.577 123.983 120.400 0.009 0.000 2.896 37 K HA 0.367 4.688 4.320 0.001 0.000 0.210 37 K C -0.225 176.379 176.600 0.005 0.000 1.116 37 K CA -0.281 56.015 56.287 0.016 0.000 1.050 37 K CB 0.145 32.658 32.500 0.022 0.000 0.812 37 K HN 0.347 nan 8.250 nan 0.000 0.462 38 L N -0.504 120.715 121.223 -0.007 0.000 2.840 38 L HA 0.310 4.650 4.340 0.001 0.000 0.249 38 L C -0.398 176.452 176.870 -0.033 0.000 1.119 38 L CA -0.314 54.514 54.840 -0.019 0.000 0.930 38 L CB 0.558 42.608 42.059 -0.017 0.000 1.295 38 L HN 0.276 nan 8.230 nan 0.000 0.534 39 N N 0.335 119.014 118.700 -0.035 0.000 2.504 39 N HA 0.219 4.959 4.740 0.001 0.000 0.280 39 N C -0.782 174.689 175.510 -0.065 0.000 1.052 39 N CA -0.123 52.896 53.050 -0.052 0.000 0.887 39 N CB 2.014 40.477 38.487 -0.039 0.000 1.323 39 N HN -0.160 nan 8.380 nan 0.000 0.509 40 S N 1.628 117.259 115.700 -0.115 0.000 2.558 40 S HA -0.012 4.458 4.470 0.001 0.000 0.293 40 S C 0.634 175.175 174.600 -0.098 0.000 1.292 40 S CA -0.253 57.852 58.200 -0.157 0.000 1.063 40 S CB 0.545 63.564 63.200 -0.302 0.000 0.831 40 S HN 0.371 nan 8.310 nan 0.000 0.499 41 L N 5.415 126.600 121.223 -0.064 0.000 2.456 41 L HA 0.194 4.535 4.340 0.001 0.000 0.277 41 L C 0.484 177.328 176.870 -0.043 0.000 1.124 41 L CA 0.540 55.360 54.840 -0.034 0.000 0.880 41 L CB -0.866 41.191 42.059 -0.004 0.000 1.192 41 L HN 0.914 nan 8.230 nan 0.000 0.463 42 T N 1.473 116.002 114.554 -0.041 0.000 2.916 42 T HA 0.408 4.758 4.350 0.001 0.000 0.292 42 T C -0.198 174.488 174.700 -0.024 0.000 1.055 42 T CA -0.800 61.276 62.100 -0.039 0.000 1.009 42 T CB 2.189 71.026 68.868 -0.052 0.000 1.118 42 T HN 0.338 nan 8.240 nan 0.000 0.497 43 V N 1.746 121.648 119.914 -0.020 0.000 2.372 43 V HA 0.633 4.753 4.120 0.001 0.000 0.261 43 V C 0.616 176.701 176.094 -0.015 0.000 1.055 43 V CA 1.189 63.481 62.300 -0.013 0.000 0.930 43 V CB -0.664 31.154 31.823 -0.009 0.000 1.031 43 V HN 1.863 nan 8.190 nan 0.000 0.479 44 G N 6.886 115.678 108.800 -0.014 0.000 2.758 44 G HA2 -0.116 3.845 3.960 0.001 0.000 0.686 44 G HA3 -0.116 3.845 3.960 0.001 0.000 0.686 44 G C -1.885 173.004 174.900 -0.018 0.000 1.389 44 G CA -0.232 44.859 45.100 -0.014 0.000 0.845 44 G HN 0.668 nan 8.290 nan 0.000 0.572 45 P HA 0.131 nan 4.420 nan 0.000 0.233 45 P C 1.000 178.286 177.300 -0.023 0.000 1.167 45 P CA 0.886 63.974 63.100 -0.020 0.000 0.770 45 P CB 0.238 31.927 31.700 -0.017 0.000 0.837 46 R N -0.767 119.720 120.500 -0.021 0.000 2.617 46 R HA 0.429 4.769 4.340 0.001 0.000 0.432 46 R C 0.417 176.705 176.300 -0.020 0.000 1.018 46 R CA -0.171 55.916 56.100 -0.021 0.000 1.077 46 R CB 0.562 30.851 30.300 -0.017 0.000 1.394 46 R HN 0.088 nan 8.270 nan 0.000 0.608 47 G N 0.367 109.154 108.800 -0.023 0.000 2.667 47 G HA2 0.575 4.536 3.960 0.001 0.000 0.310 47 G HA3 0.575 4.536 3.960 0.001 0.000 0.310 47 G C -2.498 172.387 174.900 -0.025 0.000 1.259 47 G CA -1.427 43.661 45.100 -0.020 0.000 1.019 47 G HN -0.071 nan 8.290 nan 0.000 0.496 48 P HA 0.259 nan 4.420 nan 0.000 0.277 48 P C -0.294 176.989 177.300 -0.028 0.000 1.276 48 P CA -0.658 62.429 63.100 -0.021 0.000 0.788 48 P CB 0.766 32.460 31.700 -0.009 0.000 1.114 49 L N 0.575 121.781 121.223 -0.029 0.000 2.357 49 L HA 0.286 4.626 4.340 0.001 0.000 0.273 49 L C -0.562 176.310 176.870 0.003 0.000 1.080 49 L CA -0.815 54.004 54.840 -0.035 0.000 0.803 49 L CB 0.453 42.478 42.059 -0.057 0.000 1.174 49 L HN 0.103 nan 8.230 nan 0.000 0.443 50 L N 4.756 125.986 121.223 0.011 0.000 2.295 50 L HA 0.154 4.494 4.340 0.001 0.000 0.285 50 L C 1.171 178.080 176.870 0.065 0.000 1.035 50 L CA -0.138 54.721 54.840 0.031 0.000 0.806 50 L CB 1.392 43.464 42.059 0.021 0.000 1.214 50 L HN 0.572 nan 8.230 nan 0.000 0.426 51 V N 1.515 121.467 119.914 0.062 0.000 2.568 51 V HA -0.269 3.851 4.120 0.001 0.000 0.253 51 V C 1.847 177.983 176.094 0.071 0.000 1.072 51 V CA 1.545 63.890 62.300 0.075 0.000 1.084 51 V CB -0.783 31.070 31.823 0.050 0.000 0.676 51 V HN 0.991 nan 8.190 nan 0.000 0.469 52 Q N 0.346 120.178 119.800 0.054 0.000 2.439 52 Q HA -0.172 4.168 4.340 0.001 0.000 0.211 52 Q C 0.907 176.943 176.000 0.060 0.000 0.978 52 Q CA 1.098 56.929 55.803 0.046 0.000 0.897 52 Q CB -0.167 28.590 28.738 0.032 0.000 0.956 52 Q HN 0.777 nan 8.270 nan 0.000 0.483 53 D N 0.434 120.888 120.400 0.089 0.000 2.517 53 D HA -0.013 4.628 4.640 0.001 0.000 0.220 53 D C 1.092 177.480 176.300 0.147 0.000 1.158 53 D CA -0.086 53.983 54.000 0.115 0.000 0.992 53 D CB 0.916 41.796 40.800 0.133 0.000 1.058 53 D HN 0.166 nan 8.370 nan 0.000 0.516 54 V N 1.632 121.599 119.914 0.089 0.000 2.970 54 V HA -0.130 3.991 4.120 0.001 0.000 0.260 54 V C 1.979 178.111 176.094 0.063 0.000 1.100 54 V CA 0.634 62.971 62.300 0.062 0.000 1.122 54 V CB -0.460 31.386 31.823 0.037 0.000 0.721 54 V HN 0.268 nan 8.190 nan 0.000 0.483 55 V N 0.268 120.234 119.914 0.087 0.000 2.255 55 V HA -0.223 3.898 4.120 0.001 0.000 0.247 55 V C 2.323 178.491 176.094 0.124 0.000 1.051 55 V CA 2.706 65.057 62.300 0.084 0.000 1.018 55 V CB -1.155 30.718 31.823 0.084 0.000 0.641 55 V HN 0.602 nan 8.190 nan 0.000 0.445 56 F N 1.869 121.824 119.950 0.008 0.000 2.010 56 F HA -0.232 4.295 4.527 0.001 0.000 0.296 56 F C 2.549 178.364 175.800 0.025 0.000 1.146 56 F CA 2.467 60.473 58.000 0.010 0.000 1.181 56 F CB -1.229 37.776 39.000 0.007 0.000 0.965 56 F HN 0.141 nan 8.300 nan 0.000 0.480 57 T N 0.048 114.459 114.554 -0.238 0.000 2.649 57 T HA -0.348 4.003 4.350 0.001 0.000 0.268 57 T C 1.542 176.115 174.700 -0.212 0.000 1.036 57 T CA 2.082 63.980 62.100 -0.336 0.000 1.157 57 T CB -0.815 67.995 68.868 -0.098 0.000 0.861 57 T HN 0.497 nan 8.240 nan 0.000 0.445 58 D N 0.481 120.829 120.400 -0.086 0.000 2.104 58 D HA -0.139 4.501 4.640 0.001 0.000 0.194 58 D C 2.199 178.488 176.300 -0.018 0.000 0.994 58 D CA 1.510 55.489 54.000 -0.035 0.000 0.830 58 D CB -0.126 40.671 40.800 -0.005 0.000 0.959 58 D HN 0.541 nan 8.370 nan 0.000 0.452 59 E N -1.213 118.971 120.200 -0.027 0.000 2.046 59 E HA -0.170 4.181 4.350 0.001 0.000 0.190 59 E C 1.979 178.600 176.600 0.034 0.000 0.982 59 E CA 0.589 57.003 56.400 0.022 0.000 0.800 59 E CB -0.105 29.613 29.700 0.031 0.000 0.756 59 E HN 0.206 nan 8.360 nan 0.000 0.449 60 M N 1.242 120.768 119.600 -0.124 0.000 2.080 60 M HA -0.138 4.342 4.480 0.001 0.000 0.260 60 M C 2.081 178.378 176.300 -0.005 0.000 1.068 60 M CA 1.947 57.184 55.300 -0.104 0.000 1.109 60 M CB -0.788 31.494 32.600 -0.529 0.000 1.342 60 M HN 0.177 nan 8.290 nan 0.000 0.405 61 A N -1.313 121.453 122.820 -0.090 0.000 1.884 61 A HA -0.301 4.019 4.320 0.001 0.000 0.219 61 A C 2.179 179.755 177.584 -0.014 0.000 1.197 61 A CA 2.518 54.523 52.037 -0.054 0.000 0.637 61 A CB -1.441 17.530 19.000 -0.049 0.000 0.827 61 A HN 0.755 nan 8.150 nan 0.000 0.450 62 H N -1.943 117.115 119.070 -0.019 0.000 2.353 62 H HA -0.142 4.415 4.556 0.001 0.000 0.300 62 H C 1.683 177.014 175.328 0.006 0.000 1.090 62 H CA 2.018 58.062 56.048 -0.008 0.000 1.327 62 H CB -0.390 29.375 29.762 0.006 0.000 1.383 62 H HN 0.461 nan 8.280 nan 0.000 0.508 63 F N 1.748 121.670 119.950 -0.046 0.000 2.120 63 F HA -0.232 4.296 4.527 0.001 0.000 0.300 63 F C 1.631 177.351 175.800 -0.133 0.000 1.095 63 F CA 1.944 59.897 58.000 -0.078 0.000 1.249 63 F CB -0.454 38.525 39.000 -0.034 0.000 0.995 63 F HN 0.247 nan 8.300 nan 0.000 0.480 64 D N 0.312 120.517 120.400 -0.325 0.000 2.384 64 D HA -0.123 4.518 4.640 0.001 0.000 0.222 64 D C 1.169 177.256 176.300 -0.355 0.000 0.976 64 D CA 0.835 54.603 54.000 -0.385 0.000 0.915 64 D CB -0.283 40.412 40.800 -0.174 0.000 0.896 64 D HN 0.500 nan 8.370 nan 0.000 0.523 65 R N 0.055 120.328 120.500 -0.379 0.000 2.616 65 R HA 0.200 4.541 4.340 0.001 0.000 0.427 65 R C 1.027 177.115 176.300 -0.355 0.000 1.030 65 R CA -0.147 55.761 56.100 -0.320 0.000 1.133 65 R CB 0.425 30.570 30.300 -0.258 0.000 1.444 65 R HN 0.099 nan 8.270 nan 0.000 0.578 66 E N 0.944 120.899 120.200 -0.408 0.000 2.106 66 E HA -0.073 4.278 4.350 0.001 0.000 0.192 66 E C 0.247 176.682 176.600 -0.275 0.000 0.984 66 E CA 0.793 56.969 56.400 -0.374 0.000 0.806 66 E CB 0.119 29.619 29.700 -0.333 0.000 0.750 66 E HN 0.011 nan 8.360 nan 0.000 0.458 67 R N 1.122 121.501 120.500 -0.202 0.000 2.539 67 R HA 0.316 4.657 4.340 0.001 0.000 0.275 67 R C 0.294 176.579 176.300 -0.024 0.000 1.077 67 R CA -0.005 56.044 56.100 -0.085 0.000 1.097 67 R CB 0.233 30.477 30.300 -0.092 0.000 1.018 67 R HN 0.202 nan 8.270 nan 0.000 0.483 68 I N -1.170 119.431 120.570 0.052 0.000 3.074 68 I HA 0.671 4.841 4.170 0.001 0.000 0.310 68 I C -2.207 173.913 176.117 0.004 0.000 1.153 68 I CA -2.787 58.529 61.300 0.027 0.000 0.993 68 I CB 2.479 40.522 38.000 0.073 0.000 1.237 68 I HN 0.424 nan 8.210 nan 0.000 0.443 69 P HA 0.085 nan 4.420 nan 0.000 0.264 69 P C -0.873 176.416 177.300 -0.017 0.000 1.193 69 P CA 0.217 63.293 63.100 -0.040 0.000 0.763 69 P CB 0.409 32.053 31.700 -0.092 0.000 0.810 70 E N 3.019 123.228 120.200 0.015 0.000 2.374 70 E HA 0.222 4.572 4.350 0.001 0.000 0.260 70 E C -0.330 176.279 176.600 0.016 0.000 1.101 70 E CA -0.981 55.439 56.400 0.032 0.000 0.907 70 E CB 0.577 30.308 29.700 0.052 0.000 1.014 70 E HN 0.255 nan 8.360 nan 0.000 0.427 71 R N 1.193 121.706 120.500 0.022 0.000 2.523 71 R HA -0.078 4.262 4.340 0.001 0.000 0.281 71 R C 1.061 177.372 176.300 0.018 0.000 0.969 71 R CA -0.016 56.088 56.100 0.007 0.000 1.093 71 R CB 0.191 30.521 30.300 0.051 0.000 0.917 71 R HN 0.483 nan 8.270 nan 0.000 0.408 72 V N 3.337 123.247 119.914 -0.006 0.000 2.324 72 V HA -0.174 3.946 4.120 0.001 0.000 0.250 72 V C 0.928 177.040 176.094 0.031 0.000 1.060 72 V CA 1.596 63.901 62.300 0.008 0.000 1.042 72 V CB -0.224 31.594 31.823 -0.008 0.000 0.650 72 V HN 0.479 nan 8.190 nan 0.000 0.450 73 V N -1.493 118.468 119.914 0.079 0.000 2.962 73 V HA 0.523 4.643 4.120 0.001 0.000 0.313 73 V C -0.003 176.261 176.094 0.284 0.000 1.099 73 V CA -0.908 61.490 62.300 0.163 0.000 0.971 73 V CB 1.557 33.565 31.823 0.308 0.000 1.028 73 V HN 0.527 nan 8.190 nan 0.000 0.430 74 H N 1.068 120.188 119.070 0.084 0.000 2.819 74 H HA -0.197 4.360 4.556 0.001 0.000 0.323 74 H C 1.273 176.653 175.328 0.088 0.000 1.243 74 H CA 0.578 56.688 56.048 0.103 0.000 1.163 74 H CB -0.836 29.003 29.762 0.127 0.000 1.493 74 H HN 0.930 nan 8.280 nan 0.000 0.434 75 A N 0.832 123.737 122.820 0.142 0.000 1.897 75 A HA -0.042 4.278 4.320 0.001 0.000 0.215 75 A C 1.446 179.119 177.584 0.147 0.000 1.181 75 A CA 1.230 53.341 52.037 0.123 0.000 0.620 75 A CB 0.159 19.207 19.000 0.081 0.000 0.821 75 A HN 0.234 nan 8.150 nan 0.000 0.443 76 K N 0.137 120.619 120.400 0.137 0.000 2.248 76 K HA 0.519 4.840 4.320 0.001 0.000 0.281 76 K C -0.072 176.645 176.600 0.195 0.000 1.054 76 K CA 0.741 57.122 56.287 0.157 0.000 0.903 76 K CB 0.600 33.173 32.500 0.121 0.000 1.077 76 K HN 0.434 nan 8.250 nan 0.000 0.474 77 G N 1.178 110.122 108.800 0.241 0.000 2.441 77 G HA2 0.631 4.592 3.960 0.001 0.000 0.294 77 G HA3 0.631 4.592 3.960 0.001 0.000 0.294 77 G C -1.840 173.264 174.900 0.340 0.000 1.393 77 G CA -0.357 44.892 45.100 0.247 0.000 0.796 77 G HN 0.711 nan 8.290 nan 0.000 0.494 78 A N -1.301 121.694 122.820 0.292 0.000 2.413 78 A HA 1.011 5.332 4.320 0.001 0.000 0.307 78 A C 0.151 177.893 177.584 0.264 0.000 1.087 78 A CA 0.024 52.297 52.037 0.392 0.000 0.750 78 A CB 1.877 21.133 19.000 0.427 0.000 1.296 78 A HN 2.111 nan 8.150 nan 0.000 0.423 79 G N -1.054 107.887 108.800 0.236 0.000 2.569 79 G HA2 0.904 4.865 3.960 0.001 0.000 0.300 79 G HA3 0.904 4.865 3.960 0.001 0.000 0.300 79 G C -0.694 174.187 174.900 -0.031 0.000 1.269 79 G CA -0.111 44.986 45.100 -0.004 0.000 0.959 79 G HN 2.026 nan 8.290 nan 0.000 0.478 80 A N -0.622 122.006 122.820 -0.320 0.000 2.597 80 A HA 0.798 5.119 4.320 0.001 0.000 0.292 80 A C -1.857 175.377 177.584 -0.585 0.000 1.057 80 A CA -0.724 51.162 52.037 -0.252 0.000 0.674 80 A CB 0.826 19.877 19.000 0.083 0.000 1.278 80 A HN 0.739 nan 8.150 nan 0.000 0.416 81 F N -0.199 119.801 119.950 0.084 0.000 2.618 81 F HA 0.908 5.436 4.527 0.001 0.000 0.332 81 F C 1.082 176.904 175.800 0.038 0.000 1.061 81 F CA 0.431 58.465 58.000 0.057 0.000 0.974 81 F CB 2.352 41.377 39.000 0.043 0.000 1.310 81 F HN 1.172 nan 8.300 nan 0.000 0.491 82 G N -0.097 108.844 108.800 0.236 0.000 2.623 82 G HA2 0.434 4.394 3.960 0.001 0.000 0.085 82 G HA3 0.434 4.394 3.960 0.001 0.000 0.085 82 G C -1.910 173.126 174.900 0.228 0.000 1.116 82 G CA 0.062 45.242 45.100 0.134 0.000 1.200 82 G HN 0.961 nan 8.290 nan 0.000 0.556 83 Y N -1.702 118.655 120.300 0.095 0.000 2.779 83 Y HA 0.805 5.355 4.550 0.001 0.000 0.340 83 Y C -1.958 174.054 175.900 0.187 0.000 1.252 83 Y CA -2.069 56.104 58.100 0.121 0.000 1.072 83 Y CB 1.105 39.628 38.460 0.104 0.000 1.343 83 Y HN 1.008 nan 8.280 nan 0.000 0.450 84 F N 1.826 121.964 119.950 0.314 0.000 2.561 84 F HA 0.770 5.298 4.527 0.001 0.000 0.321 84 F C -1.026 175.037 175.800 0.438 0.000 1.065 84 F CA -0.583 57.578 58.000 0.268 0.000 0.934 84 F CB 2.160 41.305 39.000 0.242 0.000 1.215 84 F HN 0.803 nan 8.300 nan 0.000 0.471 85 E N 3.547 123.451 120.200 -0.493 0.000 2.343 85 E HA 0.582 4.933 4.350 0.001 0.000 0.278 85 E C -2.108 174.144 176.600 -0.581 0.000 0.910 85 E CA -0.964 55.248 56.400 -0.314 0.000 0.757 85 E CB 2.096 31.828 29.700 0.054 0.000 1.218 85 E HN 0.490 nan 8.360 nan 0.000 0.435 86 V N 2.731 122.494 119.914 -0.252 0.000 2.649 86 V HA 0.303 4.424 4.120 0.001 0.000 0.292 86 V C 0.862 176.961 176.094 0.008 0.000 1.055 86 V CA 0.552 62.799 62.300 -0.088 0.000 1.023 86 V CB 1.229 33.113 31.823 0.101 0.000 0.992 86 V HN 1.022 nan 8.190 nan 0.000 0.480 87 T N -0.877 113.728 114.554 0.084 0.000 3.130 87 T HA 0.313 4.664 4.350 0.001 0.000 0.288 87 T C -0.032 174.760 174.700 0.153 0.000 0.936 87 T CA -0.062 62.118 62.100 0.134 0.000 0.897 87 T CB -0.104 68.882 68.868 0.196 0.000 1.178 87 T HN 0.656 nan 8.240 nan 0.000 0.543 88 H N 0.719 119.822 119.070 0.054 0.000 2.974 88 H HA 0.539 5.095 4.556 0.001 0.000 0.366 88 H C -1.721 173.654 175.328 0.077 0.000 1.155 88 H CA -0.780 55.310 56.048 0.069 0.000 1.186 88 H CB 1.755 31.563 29.762 0.077 0.000 1.799 88 H HN 0.076 nan 8.280 nan 0.000 0.541 89 D N 3.464 123.953 120.400 0.149 0.000 2.347 89 D HA 0.112 4.753 4.640 0.001 0.000 0.235 89 D C 0.599 176.984 176.300 0.142 0.000 1.149 89 D CA -0.199 53.878 54.000 0.128 0.000 0.850 89 D CB 0.621 41.470 40.800 0.082 0.000 1.061 89 D HN 0.692 nan 8.370 nan 0.000 0.487 90 I N 1.132 121.787 120.570 0.142 0.000 4.009 90 I HA 0.092 4.263 4.170 0.001 0.000 0.331 90 I C 1.729 177.944 176.117 0.163 0.000 1.462 90 I CA -0.415 61.000 61.300 0.192 0.000 1.117 90 I CB 0.142 38.229 38.000 0.145 0.000 1.091 90 I HN 0.145 nan 8.210 nan 0.000 0.410 91 T N 0.636 115.259 114.554 0.116 0.000 2.869 91 T HA -0.229 4.122 4.350 0.001 0.000 0.270 91 T C 1.745 176.460 174.700 0.025 0.000 1.082 91 T CA 1.723 63.882 62.100 0.098 0.000 1.123 91 T CB -0.677 68.238 68.868 0.078 0.000 0.856 91 T HN 0.706 nan 8.240 nan 0.000 0.499 92 R N -0.769 119.685 120.500 -0.076 0.000 2.328 92 R HA 0.223 4.564 4.340 0.001 0.000 0.206 92 R C 0.809 176.872 176.300 -0.395 0.000 0.990 92 R CA 0.533 56.488 56.100 -0.242 0.000 1.085 92 R CB -0.514 29.576 30.300 -0.350 0.000 0.998 92 R HN 0.421 nan 8.270 nan 0.000 0.484 93 Y N -1.394 118.924 120.300 0.030 0.000 2.820 93 Y HA 0.332 4.883 4.550 0.001 0.000 0.261 93 Y C 0.291 176.213 175.900 0.035 0.000 1.123 93 Y CA -0.306 57.808 58.100 0.023 0.000 1.217 93 Y CB 0.790 39.257 38.460 0.011 0.000 1.432 93 Y HN 0.092 nan 8.280 nan 0.000 0.461 94 S N 0.424 116.265 115.700 0.235 0.000 2.571 94 S HA 0.349 4.820 4.470 0.001 0.000 0.284 94 S C -0.203 174.495 174.600 0.163 0.000 1.128 94 S CA -0.773 57.541 58.200 0.191 0.000 0.970 94 S CB 0.939 64.303 63.200 0.273 0.000 1.039 94 S HN 0.352 nan 8.310 nan 0.000 0.485 95 K N 2.808 123.251 120.400 0.072 0.000 2.476 95 K HA 0.495 4.816 4.320 0.001 0.000 0.196 95 K C 0.560 177.142 176.600 -0.030 0.000 1.025 95 K CA -0.108 56.198 56.287 0.032 0.000 1.138 95 K CB 0.053 32.559 32.500 0.010 0.000 0.860 95 K HN 0.485 nan 8.250 nan 0.000 0.515 96 A N 1.979 124.750 122.820 -0.082 0.000 2.520 96 A HA 0.041 4.362 4.320 0.001 0.000 0.245 96 A C 0.597 178.015 177.584 -0.278 0.000 1.072 96 A CA -0.248 51.610 52.037 -0.299 0.000 0.761 96 A CB 0.291 18.895 19.000 -0.661 0.000 1.004 96 A HN 0.406 nan 8.150 nan 0.000 0.499 97 K N 1.925 122.174 120.400 -0.252 0.000 2.360 97 K HA -0.090 4.231 4.320 0.001 0.000 0.201 97 K C 1.481 177.962 176.600 -0.199 0.000 1.046 97 K CA 1.087 57.265 56.287 -0.182 0.000 0.945 97 K CB -0.124 32.292 32.500 -0.140 0.000 0.750 97 K HN 0.559 nan 8.250 nan 0.000 0.464 98 V N 0.430 120.122 119.914 -0.370 0.000 3.041 98 V HA -0.120 4.001 4.120 0.001 0.000 0.260 98 V C 0.708 176.796 176.094 -0.011 0.000 1.105 98 V CA 1.352 63.490 62.300 -0.270 0.000 1.125 98 V CB -0.212 31.290 31.823 -0.534 0.000 0.730 98 V HN 0.151 nan 8.190 nan 0.000 0.479 99 F N -0.290 119.693 119.950 0.054 0.000 2.678 99 F HA 0.369 4.896 4.527 0.001 0.000 0.305 99 F C 1.543 177.355 175.800 0.019 0.000 1.090 99 F CA -0.464 57.596 58.000 0.100 0.000 1.272 99 F CB -0.726 38.324 39.000 0.084 0.000 1.060 99 F HN 0.135 nan 8.300 nan 0.000 0.576 100 E N 1.443 121.675 120.200 0.053 0.000 2.295 100 E HA -0.283 4.068 4.350 0.001 0.000 0.240 100 E C 0.242 176.833 176.600 -0.015 0.000 0.917 100 E CA 2.511 58.854 56.400 -0.095 0.000 0.956 100 E CB -0.368 29.093 29.700 -0.399 0.000 0.956 100 E HN 0.594 nan 8.360 nan 0.000 0.549 101 H N -1.892 117.239 119.070 0.102 0.000 2.771 101 H HA 0.488 5.044 4.556 0.001 0.000 0.367 101 H C -0.270 175.106 175.328 0.079 0.000 1.172 101 H CA -1.118 54.977 56.048 0.078 0.000 1.186 101 H CB 0.342 30.134 29.762 0.048 0.000 1.790 101 H HN 0.100 nan 8.280 nan 0.000 0.556 102 I N 0.867 121.597 120.570 0.266 0.000 2.752 102 I HA 0.214 4.385 4.170 0.001 0.000 0.287 102 I C 1.682 177.918 176.117 0.199 0.000 1.188 102 I CA 1.528 62.932 61.300 0.173 0.000 1.427 102 I CB -0.094 37.955 38.000 0.082 0.000 1.365 102 I HN 1.154 nan 8.210 nan 0.000 0.585 103 G N 4.824 113.705 108.800 0.134 0.000 2.279 103 G HA2 -0.226 3.735 3.960 0.001 0.000 0.223 103 G HA3 -0.226 3.735 3.960 0.001 0.000 0.223 103 G C 0.626 175.603 174.900 0.128 0.000 1.015 103 G CA -0.259 44.905 45.100 0.107 0.000 0.621 103 G HN 0.538 nan 8.290 nan 0.000 0.506 104 K N 2.017 122.541 120.400 0.207 0.000 2.365 104 K HA 0.030 4.351 4.320 0.001 0.000 0.268 104 K C 0.415 177.073 176.600 0.097 0.000 1.173 104 K CA 0.519 56.878 56.287 0.120 0.000 1.204 104 K CB -0.190 32.295 32.500 -0.024 0.000 0.832 104 K HN 0.520 nan 8.250 nan 0.000 0.481 105 R N 2.730 123.280 120.500 0.082 0.000 2.198 105 R HA 0.171 4.512 4.340 0.001 0.000 0.339 105 R C -0.387 176.004 176.300 0.152 0.000 1.020 105 R CA -0.255 55.894 56.100 0.082 0.000 0.864 105 R CB 0.977 31.229 30.300 -0.080 0.000 1.105 105 R HN 0.348 nan 8.270 nan 0.000 0.463 106 T N 6.028 120.764 114.554 0.303 0.000 2.758 106 T HA 0.291 4.641 4.350 0.001 0.000 0.285 106 T C -2.205 172.697 174.700 0.337 0.000 0.981 106 T CA -1.638 60.652 62.100 0.316 0.000 0.965 106 T CB 1.514 70.646 68.868 0.441 0.000 0.927 106 T HN 0.344 nan 8.240 nan 0.000 0.448 107 P HA 0.409 nan 4.420 nan 0.000 0.272 107 P C -0.492 176.991 177.300 0.305 0.000 1.230 107 P CA -0.439 62.828 63.100 0.279 0.000 0.788 107 P CB 0.715 32.538 31.700 0.205 0.000 0.949 108 I N -3.068 117.660 120.570 0.263 0.000 3.279 108 I HA 0.895 5.065 4.170 0.001 0.000 0.315 108 I C -1.666 174.635 176.117 0.307 0.000 1.187 108 I CA -1.689 59.709 61.300 0.164 0.000 0.953 108 I CB 2.121 39.939 38.000 -0.304 0.000 1.279 108 I HN 0.348 nan 8.210 nan 0.000 0.465 109 A N 2.125 125.074 122.820 0.216 0.000 2.422 109 A HA 0.850 5.170 4.320 0.001 0.000 0.302 109 A C -1.297 176.241 177.584 -0.077 0.000 1.041 109 A CA -0.579 51.543 52.037 0.142 0.000 0.708 109 A CB 1.816 21.083 19.000 0.445 0.000 1.257 109 A HN 0.580 nan 8.150 nan 0.000 0.414 110 V N 1.508 121.265 119.914 -0.262 0.000 2.914 110 V HA 0.735 4.855 4.120 0.001 0.000 0.314 110 V C -0.102 175.777 176.094 -0.359 0.000 1.084 110 V CA -0.743 61.364 62.300 -0.322 0.000 0.963 110 V CB 2.203 33.769 31.823 -0.428 0.000 1.025 110 V HN 0.942 nan 8.190 nan 0.000 0.432 111 R N 1.558 121.773 120.500 -0.475 0.000 2.533 111 R HA 0.597 4.938 4.340 0.001 0.000 0.288 111 R C -1.991 173.952 176.300 -0.596 0.000 1.039 111 R CA -0.398 55.487 56.100 -0.359 0.000 0.909 111 R CB 1.555 31.894 30.300 0.066 0.000 1.195 111 R HN 0.561 nan 8.270 nan 0.000 0.438 112 F N 1.239 121.054 119.950 -0.224 0.000 2.440 112 F HA 0.624 5.152 4.527 0.001 0.000 0.328 112 F C 0.642 176.309 175.800 -0.222 0.000 1.070 112 F CA -0.069 57.699 58.000 -0.387 0.000 1.011 112 F CB 2.082 40.484 39.000 -0.997 0.000 1.226 112 F HN 0.647 nan 8.300 nan 0.000 0.491 113 S N -1.266 114.494 115.700 0.101 0.000 2.663 113 S HA 0.561 5.031 4.470 0.001 0.000 0.264 113 S C -0.696 174.039 174.600 0.226 0.000 1.112 113 S CA -0.504 57.812 58.200 0.194 0.000 0.823 113 S CB 0.920 64.284 63.200 0.273 0.000 1.111 113 S HN 0.761 nan 8.310 nan 0.000 0.476 114 T N -1.246 113.398 114.554 0.150 0.000 2.960 114 T HA 0.804 5.154 4.350 0.001 0.000 0.279 114 T C 0.827 175.369 174.700 -0.263 0.000 1.171 114 T CA 0.250 62.374 62.100 0.040 0.000 0.952 114 T CB 0.038 68.933 68.868 0.045 0.000 2.127 114 T HN 0.961 nan 8.240 nan 0.000 0.573 115 V N -0.369 119.380 119.914 -0.276 0.000 4.197 115 V HA 0.419 4.539 4.120 0.001 0.000 0.176 115 V C 2.755 178.726 176.094 -0.205 0.000 1.208 115 V CA 0.408 62.427 62.300 -0.469 0.000 1.306 115 V CB -0.870 30.790 31.823 -0.273 0.000 1.585 115 V HN 0.938 nan 8.190 nan 0.000 0.552 116 A N 0.810 123.533 122.820 -0.162 0.000 1.873 116 A HA 0.167 4.487 4.320 0.001 0.000 0.215 116 A C 1.611 179.128 177.584 -0.112 0.000 1.186 116 A CA 1.498 53.436 52.037 -0.166 0.000 0.616 116 A CB -1.276 17.601 19.000 -0.205 0.000 0.823 116 A HN 0.718 nan 8.150 nan 0.000 0.442 117 G N -0.289 108.468 108.800 -0.072 0.000 2.630 117 G HA2 0.378 4.339 3.960 0.001 0.000 0.236 117 G HA3 0.378 4.339 3.960 0.001 0.000 0.236 117 G C -0.178 174.711 174.900 -0.017 0.000 1.248 117 G CA -0.148 44.929 45.100 -0.039 0.000 0.844 117 G HN 0.502 nan 8.290 nan 0.000 0.588 118 E N -0.284 119.911 120.200 -0.007 0.000 2.561 118 E HA 0.332 4.683 4.350 0.001 0.000 0.254 118 E C 1.713 178.338 176.600 0.042 0.000 1.213 118 E CA -0.302 56.107 56.400 0.015 0.000 0.995 118 E CB 0.824 30.530 29.700 0.011 0.000 1.233 118 E HN 0.276 nan 8.360 nan 0.000 0.556 119 S N -0.332 115.401 115.700 0.056 0.000 2.420 119 S HA -0.157 4.314 4.470 0.001 0.000 0.237 119 S C 1.688 176.323 174.600 0.058 0.000 1.023 119 S CA 1.290 59.535 58.200 0.074 0.000 0.991 119 S CB -0.379 62.871 63.200 0.082 0.000 0.792 119 S HN 0.677 nan 8.310 nan 0.000 0.488 120 G N 1.454 110.280 108.800 0.044 0.000 2.453 120 G HA2 0.022 3.982 3.960 0.001 0.000 0.215 120 G HA3 0.022 3.982 3.960 0.001 0.000 0.215 120 G C 0.720 175.643 174.900 0.037 0.000 1.147 120 G CA 0.429 45.551 45.100 0.037 0.000 0.802 120 G HN 0.624 nan 8.290 nan 0.000 0.535 121 S N 0.282 116.004 115.700 0.036 0.000 2.564 121 S HA 0.422 4.892 4.470 0.001 0.000 0.263 121 S C 0.348 174.979 174.600 0.051 0.000 1.378 121 S CA 0.049 58.270 58.200 0.036 0.000 0.996 121 S CB 0.890 64.106 63.200 0.027 0.000 0.881 121 S HN 0.860 nan 8.310 nan 0.000 0.555 122 A N 0.429 123.282 122.820 0.055 0.000 2.294 122 A HA 0.514 4.834 4.320 0.001 0.000 0.330 122 A C 0.807 178.442 177.584 0.086 0.000 1.133 122 A CA -0.717 51.362 52.037 0.069 0.000 0.836 122 A CB 0.391 19.431 19.000 0.066 0.000 1.190 122 A HN 0.870 nan 8.150 nan 0.000 0.492 123 D N 0.664 121.130 120.400 0.111 0.000 2.091 123 D HA -0.096 4.544 4.640 0.001 0.000 0.199 123 D C 1.335 177.705 176.300 0.116 0.000 0.980 123 D CA 2.234 56.320 54.000 0.144 0.000 0.831 123 D CB -0.633 40.274 40.800 0.178 0.000 0.987 123 D HN 0.702 nan 8.370 nan 0.000 0.460 124 T N 0.275 114.880 114.554 0.084 0.000 4.287 124 T HA 0.175 4.525 4.350 0.001 0.000 0.253 124 T C 0.256 174.969 174.700 0.022 0.000 0.904 124 T CA -0.282 61.831 62.100 0.021 0.000 1.004 124 T CB -0.717 68.102 68.868 -0.083 0.000 1.271 124 T HN -0.092 nan 8.240 nan 0.000 0.681 125 V N 0.102 120.044 119.914 0.046 0.000 3.102 125 V HA 0.537 4.657 4.120 0.001 0.000 0.312 125 V C -0.155 175.961 176.094 0.036 0.000 1.135 125 V CA -1.929 60.395 62.300 0.039 0.000 1.022 125 V CB 2.215 34.063 31.823 0.041 0.000 1.056 125 V HN 0.531 nan 8.190 nan 0.000 0.436 126 R N 3.112 123.625 120.500 0.022 0.000 2.457 126 R HA 0.360 4.700 4.340 0.001 0.000 0.335 126 R C -1.158 175.133 176.300 -0.016 0.000 1.003 126 R CA 0.689 56.778 56.100 -0.018 0.000 1.003 126 R CB -0.475 29.787 30.300 -0.064 0.000 0.950 126 R HN 0.832 nan 8.270 nan 0.000 0.428 127 D N 3.675 124.088 120.400 0.020 0.000 2.728 127 D HA 0.283 4.924 4.640 0.001 0.000 0.249 127 D C -2.773 173.606 176.300 0.131 0.000 1.225 127 D CA -1.218 52.822 54.000 0.066 0.000 0.748 127 D CB 1.953 42.779 40.800 0.042 0.000 1.326 127 D HN 0.179 nan 8.370 nan 0.000 0.426 128 P HA 0.511 nan 4.420 nan 0.000 0.282 128 P C -0.956 176.491 177.300 0.244 0.000 1.286 128 P CA -0.446 62.812 63.100 0.264 0.000 0.777 128 P CB 0.551 32.475 31.700 0.372 0.000 1.184 129 R N -1.053 119.628 120.500 0.303 0.000 2.686 129 R HA 0.632 4.972 4.340 0.001 0.000 0.286 129 R C -0.271 176.263 176.300 0.390 0.000 0.969 129 R CA -0.500 55.789 56.100 0.314 0.000 0.898 129 R CB 1.255 31.736 30.300 0.301 0.000 1.183 129 R HN 0.592 nan 8.270 nan 0.000 0.456 130 G N 2.434 111.481 108.800 0.412 0.000 2.356 130 G HA2 0.338 4.298 3.960 0.001 0.000 0.300 130 G HA3 0.338 4.298 3.960 0.001 0.000 0.300 130 G C -1.193 173.802 174.900 0.158 0.000 1.107 130 G CA 0.055 45.351 45.100 0.326 0.000 0.960 130 G HN 0.359 nan 8.290 nan 0.000 0.418 131 F N 3.713 123.603 119.950 -0.100 0.000 2.443 131 F HA 0.665 5.193 4.527 0.001 0.000 0.369 131 F C 0.001 175.540 175.800 -0.434 0.000 1.090 131 F CA -2.230 55.598 58.000 -0.285 0.000 1.129 131 F CB 1.012 39.947 39.000 -0.108 0.000 1.367 131 F HN 0.567 nan 8.300 nan 0.000 0.465 132 A N 5.179 127.712 122.820 -0.478 0.000 2.318 132 A HA 0.779 5.100 4.320 0.001 0.000 0.324 132 A C -1.376 175.532 177.584 -1.126 0.000 1.170 132 A CA -0.556 50.875 52.037 -1.010 0.000 0.810 132 A CB 1.134 19.116 19.000 -1.696 0.000 1.198 132 A HN 0.334 nan 8.150 nan 0.000 0.484 133 V N 2.132 121.488 119.914 -0.929 0.000 2.459 133 V HA 0.482 4.602 4.120 0.001 0.000 0.295 133 V C 0.094 175.901 176.094 -0.477 0.000 1.029 133 V CA -0.716 61.134 62.300 -0.750 0.000 0.874 133 V CB 1.522 32.763 31.823 -0.971 0.000 0.985 133 V HN 0.888 nan 8.190 nan 0.000 0.438 134 K N 3.887 124.135 120.400 -0.254 0.000 2.389 134 K HA 0.532 4.852 4.320 0.001 0.000 0.261 134 K C -1.596 174.731 176.600 -0.454 0.000 1.014 134 K CA -0.480 55.674 56.287 -0.221 0.000 0.920 134 K CB 0.630 33.014 32.500 -0.192 0.000 1.149 134 K HN 0.498 nan 8.250 nan 0.000 0.444 135 F N 4.408 124.089 119.950 -0.448 0.000 2.350 135 F HA 0.243 4.770 4.527 0.001 0.000 0.365 135 F C -0.405 175.253 175.800 -0.238 0.000 1.122 135 F CA -0.595 57.254 58.000 -0.251 0.000 1.139 135 F CB 0.423 39.325 39.000 -0.164 0.000 1.220 135 F HN 0.399 nan 8.300 nan 0.000 0.499 136 Y N 1.871 122.182 120.300 0.018 0.000 2.613 136 Y HA 0.277 4.827 4.550 0.001 0.000 0.354 136 Y C 1.065 176.895 175.900 -0.116 0.000 1.063 136 Y CA -0.685 57.331 58.100 -0.140 0.000 1.384 136 Y CB -0.170 38.057 38.460 -0.388 0.000 1.199 136 Y HN 0.585 nan 8.280 nan 0.000 0.517 137 T N -1.954 112.611 114.554 0.018 0.000 2.889 137 T HA 0.322 4.673 4.350 0.001 0.000 0.278 137 T C 0.785 175.449 174.700 -0.059 0.000 0.995 137 T CA -0.781 61.311 62.100 -0.013 0.000 0.966 137 T CB 1.219 70.062 68.868 -0.041 0.000 1.237 137 T HN 0.439 nan 8.240 nan 0.000 0.591 138 E N -0.315 119.848 120.200 -0.062 0.000 2.481 138 E HA 0.121 4.471 4.350 0.001 0.000 0.195 138 E C 0.468 177.026 176.600 -0.070 0.000 1.047 138 E CA 0.393 56.756 56.400 -0.062 0.000 0.867 138 E CB 0.016 29.685 29.700 -0.051 0.000 0.858 138 E HN 0.587 nan 8.360 nan 0.000 0.513 139 D N -0.428 119.920 120.400 -0.086 0.000 2.398 139 D HA 0.285 4.926 4.640 0.001 0.000 0.210 139 D C 0.343 176.591 176.300 -0.087 0.000 1.094 139 D CA 0.625 54.570 54.000 -0.091 0.000 0.839 139 D CB 0.920 41.647 40.800 -0.122 0.000 0.963 139 D HN 0.181 nan 8.370 nan 0.000 0.506 140 G N 0.115 108.867 108.800 -0.080 0.000 2.384 140 G HA2 -0.156 3.804 3.960 0.001 0.000 0.668 140 G HA3 -0.156 3.804 3.960 0.001 0.000 0.668 140 G C -0.989 173.866 174.900 -0.075 0.000 1.280 140 G CA -1.069 43.986 45.100 -0.075 0.000 0.992 140 G HN -0.008 nan 8.290 nan 0.000 0.512 141 N N -0.387 118.260 118.700 -0.089 0.000 2.499 141 N HA 0.477 5.218 4.740 0.001 0.000 0.281 141 N C -0.930 174.566 175.510 -0.023 0.000 1.098 141 N CA -0.044 52.931 53.050 -0.124 0.000 0.979 141 N CB 1.357 39.706 38.487 -0.230 0.000 1.121 141 N HN 0.647 nan 8.380 nan 0.000 0.466 142 W N 3.516 124.682 121.300 -0.224 0.000 2.336 142 W HA 0.331 4.991 4.660 0.001 0.000 0.315 142 W C -1.235 175.172 176.519 -0.187 0.000 1.016 142 W CA -0.935 56.250 57.345 -0.267 0.000 1.318 142 W CB 0.340 29.535 29.460 -0.440 0.000 1.247 142 W HN 0.313 nan 8.180 nan 0.000 0.414 143 D N 6.004 126.273 120.400 -0.218 0.000 2.280 143 D HA 0.142 4.783 4.640 0.001 0.000 0.243 143 D C -0.559 175.366 176.300 -0.625 0.000 1.129 143 D CA -0.138 53.666 54.000 -0.327 0.000 0.848 143 D CB 1.953 42.690 40.800 -0.105 0.000 1.107 143 D HN 0.280 nan 8.370 nan 0.000 0.471 144 L N 4.414 125.151 121.223 -0.810 0.000 2.321 144 L HA 0.222 4.562 4.340 0.001 0.000 0.272 144 L C -0.827 175.658 176.870 -0.642 0.000 1.050 144 L CA -0.572 53.735 54.840 -0.887 0.000 0.893 144 L CB 0.834 42.189 42.059 -1.174 0.000 1.272 144 L HN 0.043 nan 8.230 nan 0.000 0.435 145 V N 4.537 124.165 119.914 -0.476 0.000 2.339 145 V HA 0.632 4.752 4.120 0.001 0.000 0.261 145 V C 0.829 176.782 176.094 -0.235 0.000 1.058 145 V CA -0.347 61.699 62.300 -0.424 0.000 0.897 145 V CB 0.618 32.176 31.823 -0.442 0.000 1.052 145 V HN 0.816 nan 8.190 nan 0.000 0.480 146 G N 3.631 112.307 108.800 -0.208 0.000 2.642 146 G HA2 0.521 4.481 3.960 0.001 0.000 0.293 146 G HA3 0.521 4.481 3.960 0.001 0.000 0.293 146 G C -1.009 173.926 174.900 0.058 0.000 1.341 146 G CA -0.713 44.367 45.100 -0.034 0.000 0.916 146 G HN 0.446 nan 8.290 nan 0.000 0.474 147 N N -0.258 118.524 118.700 0.138 0.000 2.502 147 N HA 0.142 4.883 4.740 0.001 0.000 0.280 147 N C 0.792 176.499 175.510 0.327 0.000 1.223 147 N CA -0.667 52.531 53.050 0.247 0.000 0.966 147 N CB 1.319 39.956 38.487 0.250 0.000 1.203 147 N HN 0.641 nan 8.380 nan 0.000 0.565 148 N N -0.972 117.955 118.700 0.378 0.000 2.521 148 N HA -0.074 4.666 4.740 0.001 0.000 0.188 148 N C 0.094 175.908 175.510 0.505 0.000 1.146 148 N CA 0.286 53.621 53.050 0.475 0.000 0.893 148 N CB 0.037 38.773 38.487 0.414 0.000 0.975 148 N HN 0.394 nan 8.380 nan 0.000 0.451 149 T N -0.151 114.503 114.554 0.166 0.000 2.906 149 T HA 0.380 4.730 4.350 0.001 0.000 0.295 149 T C -2.535 171.702 174.700 -0.771 0.000 1.061 149 T CA -1.839 59.952 62.100 -0.515 0.000 1.000 149 T CB 2.494 71.070 68.868 -0.487 0.000 1.103 149 T HN -0.196 nan 8.240 nan 0.000 0.486 150 P HA 0.237 nan 4.420 nan 0.000 0.249 150 P C 0.277 177.236 177.300 -0.569 0.000 1.229 150 P CA 0.120 62.754 63.100 -0.776 0.000 0.788 150 P CB -0.251 30.995 31.700 -0.755 0.000 1.072 151 I N -5.844 114.358 120.570 -0.614 0.000 3.322 151 I HA 0.720 4.890 4.170 0.001 0.000 0.313 151 I C -0.792 175.122 176.117 -0.338 0.000 1.129 151 I CA -1.529 59.458 61.300 -0.522 0.000 0.963 151 I CB 1.609 39.170 38.000 -0.732 0.000 1.273 151 I HN -0.312 nan 8.210 nan 0.000 0.473 152 F N -0.316 119.343 119.950 -0.484 0.000 2.726 152 F HA 0.556 5.084 4.527 0.001 0.000 0.324 152 F C -0.283 175.259 175.800 -0.430 0.000 1.140 152 F CA -0.990 56.762 58.000 -0.413 0.000 0.964 152 F CB 1.655 40.571 39.000 -0.139 0.000 1.399 152 F HN 0.408 nan 8.300 nan 0.000 0.491 153 F N 1.702 121.191 119.950 -0.768 0.000 2.416 153 F HA 0.221 4.749 4.527 0.001 0.000 0.296 153 F C 0.636 176.284 175.800 -0.253 0.000 1.099 153 F CA 0.363 58.035 58.000 -0.546 0.000 1.427 153 F CB -0.531 38.003 39.000 -0.778 0.000 1.079 153 F HN 0.130 nan 8.300 nan 0.000 0.536 154 I N -1.305 119.392 120.570 0.211 0.000 3.108 154 I HA 0.571 4.741 4.170 0.001 0.000 0.312 154 I C 0.442 176.698 176.117 0.232 0.000 1.095 154 I CA -1.221 60.212 61.300 0.222 0.000 1.000 154 I CB 2.327 40.509 38.000 0.304 0.000 1.229 154 I HN -0.023 nan 8.210 nan 0.000 0.454 155 R N 0.062 120.657 120.500 0.158 0.000 2.590 155 R HA 0.436 4.776 4.340 0.001 0.000 0.410 155 R C -0.938 175.435 176.300 0.122 0.000 1.010 155 R CA -0.381 55.792 56.100 0.122 0.000 1.155 155 R CB 0.326 30.670 30.300 0.072 0.000 1.455 155 R HN 0.671 nan 8.270 nan 0.000 0.567 156 D N 0.440 120.930 120.400 0.150 0.000 2.616 156 D HA 0.238 4.878 4.640 0.001 0.000 0.238 156 D C 0.677 177.074 176.300 0.162 0.000 1.354 156 D CA -0.223 53.856 54.000 0.131 0.000 0.970 156 D CB 2.046 42.918 40.800 0.119 0.000 1.369 156 D HN 0.064 nan 8.370 nan 0.000 0.585 157 A N 4.079 126.977 122.820 0.129 0.000 2.009 157 A HA -0.205 4.115 4.320 0.001 0.000 0.222 157 A C 2.183 179.879 177.584 0.188 0.000 1.175 157 A CA 1.177 53.300 52.037 0.144 0.000 0.651 157 A CB -0.490 18.556 19.000 0.077 0.000 0.815 157 A HN 0.736 nan 8.150 nan 0.000 0.459 158 L N -1.764 119.547 121.223 0.147 0.000 2.447 158 L HA -0.157 4.184 4.340 0.001 0.000 0.225 158 L C 1.375 178.343 176.870 0.163 0.000 1.148 158 L CA 0.736 55.655 54.840 0.132 0.000 0.808 158 L CB -0.185 41.933 42.059 0.098 0.000 0.928 158 L HN 0.375 nan 8.230 nan 0.000 0.448 159 L N -3.001 118.362 121.223 0.233 0.000 2.766 159 L HA 0.046 4.386 4.340 0.001 0.000 0.242 159 L C 1.520 178.586 176.870 0.327 0.000 1.136 159 L CA 0.202 55.212 54.840 0.283 0.000 0.933 159 L CB -0.099 42.180 42.059 0.366 0.000 1.241 159 L HN -0.011 nan 8.230 nan 0.000 0.522 160 F N 2.851 122.916 119.950 0.192 0.000 2.084 160 F HA -0.032 4.496 4.527 0.001 0.000 0.296 160 F C -0.478 175.365 175.800 0.072 0.000 1.111 160 F CA 1.318 59.465 58.000 0.244 0.000 1.224 160 F CB -1.042 38.073 39.000 0.191 0.000 0.991 160 F HN 0.068 nan 8.300 nan 0.000 0.471 161 P HA -0.167 nan 4.420 nan 0.000 0.215 161 P C 1.892 178.795 177.300 -0.662 0.000 1.157 161 P CA 2.042 64.931 63.100 -0.351 0.000 0.868 161 P CB -0.162 31.410 31.700 -0.214 0.000 0.788 162 S N -0.944 114.508 115.700 -0.414 0.000 2.370 162 S HA -0.154 4.316 4.470 0.001 0.000 0.226 162 S C 1.656 175.822 174.600 -0.723 0.000 1.033 162 S CA 1.107 59.045 58.200 -0.436 0.000 1.011 162 S CB -1.088 62.003 63.200 -0.183 0.000 0.852 162 S HN 0.124 nan 8.310 nan 0.000 0.457 163 F N 2.439 121.855 119.950 -0.891 0.000 2.113 163 F HA -0.039 4.489 4.527 0.001 0.000 0.297 163 F C 1.795 177.108 175.800 -0.812 0.000 1.103 163 F CA 1.127 58.449 58.000 -1.129 0.000 1.248 163 F CB -0.433 38.310 39.000 -0.428 0.000 0.999 163 F HN 0.099 nan 8.300 nan 0.000 0.475 164 I N 0.270 120.198 120.570 -1.071 0.000 2.454 164 I HA -0.278 3.892 4.170 0.001 0.000 0.254 164 I C 2.375 178.123 176.117 -0.615 0.000 1.156 164 I CA 1.458 62.162 61.300 -0.994 0.000 1.433 164 I CB -1.674 35.828 38.000 -0.830 0.000 1.082 164 I HN 0.375 nan 8.210 nan 0.000 0.432 165 H N 0.414 119.114 119.070 -0.615 0.000 2.307 165 H HA -0.118 4.438 4.556 0.001 0.000 0.303 165 H C 2.506 177.529 175.328 -0.507 0.000 1.073 165 H CA 1.516 57.292 56.048 -0.453 0.000 1.338 165 H CB 0.225 29.780 29.762 -0.345 0.000 1.389 165 H HN 0.337 nan 8.280 nan 0.000 0.503 166 S N 0.770 116.165 115.700 -0.508 0.000 2.420 166 S HA -0.177 4.293 4.470 0.001 0.000 0.237 166 S C 1.687 175.933 174.600 -0.589 0.000 1.023 166 S CA 1.047 58.928 58.200 -0.532 0.000 0.991 166 S CB -0.090 62.715 63.200 -0.659 0.000 0.792 166 S HN 0.367 nan 8.310 nan 0.000 0.488 167 Q N 0.996 120.339 119.800 -0.761 0.000 2.365 167 Q HA 0.330 4.671 4.340 0.001 0.000 0.203 167 Q C 0.386 176.121 176.000 -0.442 0.000 0.929 167 Q CA 0.442 55.831 55.803 -0.690 0.000 0.948 167 Q CB 0.145 28.335 28.738 -0.914 0.000 1.043 167 Q HN 0.687 nan 8.270 nan 0.000 0.505 168 K N 0.093 120.271 120.400 -0.371 0.000 2.082 168 K HA 0.481 4.801 4.320 0.001 0.000 0.242 168 K C -0.085 176.362 176.600 -0.254 0.000 1.070 168 K CA -1.028 55.090 56.287 -0.283 0.000 0.892 168 K CB 1.008 33.352 32.500 -0.260 0.000 1.417 168 K HN -0.113 nan 8.250 nan 0.000 0.541 169 R N 1.665 122.005 120.500 -0.266 0.000 2.641 169 R HA 0.082 4.423 4.340 0.001 0.000 0.269 169 R C 0.445 176.625 176.300 -0.200 0.000 1.074 169 R CA -0.397 55.545 56.100 -0.263 0.000 1.133 169 R CB 0.144 30.179 30.300 -0.442 0.000 1.029 169 R HN 0.461 nan 8.270 nan 0.000 0.488 170 N N 3.034 121.649 118.700 -0.140 0.000 2.458 170 N HA -0.021 4.719 4.740 0.001 0.000 0.258 170 N C -1.568 173.898 175.510 -0.073 0.000 1.219 170 N CA -1.202 51.791 53.050 -0.095 0.000 0.902 170 N CB 0.941 39.395 38.487 -0.055 0.000 1.076 170 N HN 0.337 nan 8.380 nan 0.000 0.455 171 P HA -0.187 nan 4.420 nan 0.000 0.218 171 P C 0.856 178.142 177.300 -0.022 0.000 1.146 171 P CA 1.487 64.547 63.100 -0.068 0.000 0.813 171 P CB 0.417 32.066 31.700 -0.084 0.000 0.778 172 Q N -0.278 119.513 119.800 -0.015 0.000 2.263 172 Q HA -0.041 4.299 4.340 0.001 0.000 0.196 172 Q C 2.192 178.202 176.000 0.016 0.000 0.965 172 Q CA 1.585 57.386 55.803 -0.003 0.000 0.851 172 Q CB -0.351 28.382 28.738 -0.008 0.000 0.948 172 Q HN 0.195 nan 8.270 nan 0.000 0.516 173 T N -2.889 111.676 114.554 0.017 0.000 2.951 173 T HA -0.115 4.236 4.350 0.001 0.000 0.268 173 T C 0.485 175.245 174.700 0.100 0.000 1.073 173 T CA 1.285 63.405 62.100 0.033 0.000 1.134 173 T CB -0.261 68.613 68.868 0.011 0.000 0.884 173 T HN 0.667 nan 8.240 nan 0.000 0.479 174 H N -0.204 118.835 119.070 -0.052 0.000 3.109 174 H HA -0.101 4.455 4.556 0.001 0.000 0.245 174 H C -0.675 174.622 175.328 -0.051 0.000 1.187 174 H CA 0.607 56.622 56.048 -0.056 0.000 1.136 174 H CB -2.226 27.508 29.762 -0.047 0.000 1.243 174 H HN 0.554 nan 8.280 nan 0.000 0.328 175 L N 0.186 121.373 121.223 -0.060 0.000 2.334 175 L HA 0.439 4.780 4.340 0.001 0.000 0.270 175 L C 0.655 177.461 176.870 -0.107 0.000 1.018 175 L CA -1.323 53.472 54.840 -0.075 0.000 0.811 175 L CB 0.986 43.026 42.059 -0.031 0.000 1.271 175 L HN -0.108 nan 8.230 nan 0.000 0.443 176 K N 1.421 121.762 120.400 -0.097 0.000 2.382 176 K HA 0.107 4.428 4.320 0.001 0.000 0.275 176 K C -0.781 175.781 176.600 -0.062 0.000 1.009 176 K CA 0.030 56.261 56.287 -0.093 0.000 0.970 176 K CB 0.529 32.991 32.500 -0.063 0.000 0.934 176 K HN 0.459 nan 8.250 nan 0.000 0.479 177 D N 4.055 124.418 120.400 -0.063 0.000 2.469 177 D HA 0.180 4.820 4.640 0.001 0.000 0.251 177 D C -1.715 174.599 176.300 0.023 0.000 1.173 177 D CA -2.155 51.828 54.000 -0.028 0.000 0.882 177 D CB 1.508 42.282 40.800 -0.043 0.000 1.129 177 D HN 0.088 nan 8.370 nan 0.000 0.549 178 P HA -0.121 nan 4.420 nan 0.000 0.216 178 P C 0.780 178.238 177.300 0.263 0.000 1.150 178 P CA 0.804 64.079 63.100 0.291 0.000 0.837 178 P CB 0.721 32.530 31.700 0.182 0.000 0.786 179 D N -1.022 119.454 120.400 0.126 0.000 2.149 179 D HA -0.107 4.534 4.640 0.001 0.000 0.198 179 D C 2.178 178.533 176.300 0.091 0.000 0.990 179 D CA 1.167 55.224 54.000 0.095 0.000 0.839 179 D CB -0.511 40.324 40.800 0.060 0.000 0.948 179 D HN 0.107 nan 8.370 nan 0.000 0.460 180 M N -0.725 118.895 119.600 0.034 0.000 2.064 180 M HA -0.144 4.337 4.480 0.001 0.000 0.260 180 M C 2.181 178.432 176.300 -0.081 0.000 1.073 180 M CA 0.806 56.092 55.300 -0.024 0.000 1.124 180 M CB -0.154 32.390 32.600 -0.094 0.000 1.326 180 M HN -0.073 nan 8.290 nan 0.000 0.410 181 V N -0.481 119.311 119.914 -0.203 0.000 2.220 181 V HA -0.327 3.794 4.120 0.001 0.000 0.250 181 V C 1.796 177.607 176.094 -0.472 0.000 1.056 181 V CA 2.411 64.388 62.300 -0.538 0.000 1.016 181 V CB -0.889 30.523 31.823 -0.684 0.000 0.639 181 V HN 0.609 nan 8.190 nan 0.000 0.446 182 W N -0.197 121.103 121.300 -0.000 0.000 2.519 182 W HA -0.047 4.613 4.660 0.001 0.000 0.266 182 W C 2.221 178.799 176.519 0.098 0.000 1.253 182 W CA 0.947 58.371 57.345 0.133 0.000 1.274 182 W CB -0.340 29.192 29.460 0.121 0.000 1.114 182 W HN 0.326 nan 8.180 nan 0.000 0.596 183 D N -0.568 119.975 120.400 0.239 0.000 2.224 183 D HA -0.198 4.442 4.640 0.001 0.000 0.205 183 D C 1.758 178.190 176.300 0.220 0.000 0.965 183 D CA 0.922 55.047 54.000 0.208 0.000 0.852 183 D CB -0.222 40.701 40.800 0.205 0.000 0.947 183 D HN 0.090 nan 8.370 nan 0.000 0.494 184 F N -0.608 119.364 119.950 0.037 0.000 2.179 184 F HA 0.039 4.567 4.527 0.001 0.000 0.292 184 F C 1.685 177.563 175.800 0.129 0.000 1.089 184 F CA 0.808 58.822 58.000 0.023 0.000 1.295 184 F CB -0.343 38.597 39.000 -0.099 0.000 1.041 184 F HN -0.029 nan 8.300 nan 0.000 0.487 185 W N 1.299 122.547 121.300 -0.088 0.000 2.358 185 W HA -0.156 4.504 4.660 0.001 0.000 0.303 185 W C 3.112 179.534 176.519 -0.162 0.000 1.208 185 W CA 2.012 59.238 57.345 -0.199 0.000 1.274 185 W CB -1.519 27.846 29.460 -0.158 0.000 1.138 185 W HN 0.286 nan 8.180 nan 0.000 0.515 186 S N 0.290 116.115 115.700 0.208 0.000 2.356 186 S HA -0.201 4.269 4.470 0.001 0.000 0.223 186 S C 1.952 176.556 174.600 0.007 0.000 1.032 186 S CA 1.555 59.813 58.200 0.098 0.000 1.005 186 S CB -1.022 62.264 63.200 0.144 0.000 0.867 186 S HN 0.256 nan 8.310 nan 0.000 0.449 187 L N 0.409 121.629 121.223 -0.004 0.000 2.362 187 L HA 0.130 4.471 4.340 0.001 0.000 0.219 187 L C 0.792 177.600 176.870 -0.103 0.000 1.134 187 L CA 0.509 55.331 54.840 -0.031 0.000 0.807 187 L CB -0.344 41.717 42.059 0.004 0.000 0.927 187 L HN 0.166 nan 8.230 nan 0.000 0.447 188 R N 0.280 120.665 120.500 -0.191 0.000 2.494 188 R HA 0.239 4.579 4.340 0.001 0.000 0.284 188 R C -1.973 174.233 176.300 -0.157 0.000 1.525 188 R CA -1.914 54.060 56.100 -0.210 0.000 1.460 188 R CB 0.270 30.325 30.300 -0.408 0.000 1.134 188 R HN -0.080 nan 8.270 nan 0.000 0.592 189 P HA -0.200 nan 4.420 nan 0.000 0.221 189 P C 0.946 178.176 177.300 -0.118 0.000 1.145 189 P CA 1.049 64.070 63.100 -0.132 0.000 0.795 189 P CB 0.363 32.000 31.700 -0.104 0.000 0.775 190 E N 1.152 121.298 120.200 -0.091 0.000 2.273 190 E HA -0.168 4.183 4.350 0.001 0.000 0.198 190 E C 1.578 178.123 176.600 -0.091 0.000 1.002 190 E CA 1.770 58.127 56.400 -0.072 0.000 0.828 190 E CB -1.100 28.575 29.700 -0.042 0.000 0.747 190 E HN 0.383 nan 8.360 nan 0.000 0.491 191 S N 1.094 116.722 115.700 -0.119 0.000 2.453 191 S HA -0.036 4.435 4.470 0.001 0.000 0.231 191 S C 2.194 176.671 174.600 -0.206 0.000 1.005 191 S CA 0.423 58.531 58.200 -0.153 0.000 0.949 191 S CB -0.688 62.394 63.200 -0.196 0.000 0.774 191 S HN 0.211 nan 8.310 nan 0.000 0.510 192 L N 1.505 122.619 121.223 -0.182 0.000 2.026 192 L HA -0.328 4.013 4.340 0.001 0.000 0.231 192 L C 2.979 179.832 176.870 -0.028 0.000 1.095 192 L CA 2.360 57.127 54.840 -0.121 0.000 0.810 192 L CB -1.195 40.808 42.059 -0.094 0.000 0.909 192 L HN 0.445 nan 8.230 nan 0.000 0.444 193 H N -0.080 118.901 119.070 -0.148 0.000 2.255 193 H HA -0.277 4.280 4.556 0.001 0.000 0.290 193 H C 2.250 177.409 175.328 -0.281 0.000 1.087 193 H CA 2.636 58.561 56.048 -0.206 0.000 1.213 193 H CB -0.184 29.426 29.762 -0.254 0.000 1.349 193 H HN 0.311 nan 8.280 nan 0.000 0.487 194 Q N 0.304 120.010 119.800 -0.157 0.000 2.167 194 Q HA -0.042 4.299 4.340 0.001 0.000 0.202 194 Q C 2.573 178.434 176.000 -0.231 0.000 0.970 194 Q CA 1.306 56.880 55.803 -0.380 0.000 0.855 194 Q CB -0.465 27.710 28.738 -0.939 0.000 0.911 194 Q HN 0.292 nan 8.270 nan 0.000 0.438 195 V N 0.017 119.830 119.914 -0.168 0.000 2.287 195 V HA -0.304 3.816 4.120 0.001 0.000 0.248 195 V C 2.182 178.428 176.094 0.253 0.000 1.053 195 V CA 2.078 64.322 62.300 -0.093 0.000 1.027 195 V CB -0.720 30.893 31.823 -0.350 0.000 0.646 195 V HN 0.397 nan 8.190 nan 0.000 0.447 196 S N -0.513 115.326 115.700 0.231 0.000 2.370 196 S HA -0.212 4.259 4.470 0.001 0.000 0.226 196 S C 1.761 176.546 174.600 0.309 0.000 1.033 196 S CA 1.811 60.222 58.200 0.352 0.000 1.011 196 S CB -0.495 62.902 63.200 0.328 0.000 0.852 196 S HN 0.592 nan 8.310 nan 0.000 0.457 197 F N 1.473 121.376 119.950 -0.079 0.000 2.365 197 F HA 0.044 4.571 4.527 0.001 0.000 0.300 197 F C 1.696 177.502 175.800 0.010 0.000 1.090 197 F CA 0.342 58.280 58.000 -0.104 0.000 1.408 197 F CB -0.121 38.697 39.000 -0.303 0.000 1.060 197 F HN 0.113 nan 8.300 nan 0.000 0.534 198 L N -0.561 120.727 121.223 0.109 0.000 2.034 198 L HA -0.007 4.333 4.340 0.001 0.000 0.203 198 L C 1.391 178.176 176.870 -0.142 0.000 1.074 198 L CA 1.862 56.683 54.840 -0.030 0.000 0.748 198 L CB -1.133 40.911 42.059 -0.026 0.000 0.905 198 L HN 0.003 nan 8.230 nan 0.000 0.439 199 F N 0.090 120.106 119.950 0.110 0.000 2.716 199 F HA 0.170 4.698 4.527 0.001 0.000 0.301 199 F C 1.409 177.269 175.800 0.099 0.000 1.210 199 F CA 0.165 58.239 58.000 0.124 0.000 1.422 199 F CB -1.068 38.031 39.000 0.164 0.000 1.073 199 F HN 0.133 nan 8.300 nan 0.000 0.525 200 S N -1.611 114.177 115.700 0.146 0.000 2.730 200 S HA 0.204 4.675 4.470 0.001 0.000 0.284 200 S C 0.955 175.555 174.600 0.001 0.000 1.153 200 S CA -0.665 57.593 58.200 0.096 0.000 0.995 200 S CB 1.087 64.336 63.200 0.081 0.000 1.058 200 S HN 0.105 nan 8.310 nan 0.000 0.552 201 D N 0.507 120.905 120.400 -0.003 0.000 2.203 201 D HA -0.103 4.537 4.640 0.001 0.000 0.199 201 D C 1.910 178.180 176.300 -0.050 0.000 0.997 201 D CA 1.324 55.317 54.000 -0.013 0.000 0.863 201 D CB -0.140 40.656 40.800 -0.006 0.000 0.928 201 D HN 0.412 nan 8.370 nan 0.000 0.458 202 R N 0.032 120.446 120.500 -0.143 0.000 2.193 202 R HA 0.031 4.372 4.340 0.001 0.000 0.229 202 R C 2.214 178.446 176.300 -0.112 0.000 1.110 202 R CA 0.951 56.946 56.100 -0.176 0.000 0.988 202 R CB -0.897 29.108 30.300 -0.491 0.000 0.871 202 R HN 0.240 nan 8.270 nan 0.000 0.458 203 G N 0.503 109.231 108.800 -0.120 0.000 2.606 203 G HA2 -0.225 3.736 3.960 0.001 0.000 0.223 203 G HA3 -0.225 3.736 3.960 0.001 0.000 0.223 203 G C 0.412 175.304 174.900 -0.014 0.000 1.106 203 G CA 1.334 46.388 45.100 -0.076 0.000 0.745 203 G HN 0.378 nan 8.290 nan 0.000 0.597 204 I N 0.895 121.470 120.570 0.007 0.000 2.560 204 I HA 0.269 4.440 4.170 0.001 0.000 0.278 204 I C -2.583 173.565 176.117 0.051 0.000 1.089 204 I CA -2.182 59.139 61.300 0.035 0.000 1.086 204 I CB 2.577 40.589 38.000 0.020 0.000 1.202 204 I HN -0.166 nan 8.210 nan 0.000 0.471 205 P HA 0.083 nan 4.420 nan 0.000 0.274 205 P C -0.842 176.524 177.300 0.110 0.000 1.256 205 P CA -0.088 63.078 63.100 0.110 0.000 0.795 205 P CB 1.088 32.878 31.700 0.150 0.000 1.038 206 D N -0.448 120.039 120.400 0.146 0.000 2.485 206 D HA 0.455 5.095 4.640 0.001 0.000 0.221 206 D C 0.357 176.802 176.300 0.241 0.000 1.112 206 D CA 0.311 54.437 54.000 0.211 0.000 0.911 206 D CB -0.673 40.244 40.800 0.194 0.000 1.019 206 D HN 0.713 nan 8.370 nan 0.000 0.516 207 G N 3.174 112.072 108.800 0.163 0.000 2.781 207 G HA2 -0.244 3.716 3.960 0.001 0.000 0.683 207 G HA3 -0.244 3.716 3.960 0.001 0.000 0.683 207 G C 0.584 175.337 174.900 -0.245 0.000 1.390 207 G CA -0.516 44.490 45.100 -0.157 0.000 0.850 207 G HN 0.581 nan 8.290 nan 0.000 0.557 208 H N 0.692 119.593 119.070 -0.281 0.000 2.512 208 H HA 0.043 4.599 4.556 0.001 0.000 0.279 208 H C 2.726 177.763 175.328 -0.485 0.000 0.999 208 H CA 1.353 57.056 56.048 -0.576 0.000 1.283 208 H CB 0.111 29.047 29.762 -1.377 0.000 1.421 208 H HN 0.573 nan 8.280 nan 0.000 0.554 209 R N 0.381 120.688 120.500 -0.323 0.000 2.148 209 R HA -0.058 4.283 4.340 0.001 0.000 0.227 209 R C 0.485 176.526 176.300 -0.432 0.000 1.103 209 R CA 0.756 56.628 56.100 -0.379 0.000 0.983 209 R CB 0.028 29.996 30.300 -0.553 0.000 0.874 209 R HN 0.398 nan 8.270 nan 0.000 0.451 210 H N 0.369 119.409 119.070 -0.049 0.000 2.577 210 H HA 0.209 4.765 4.556 0.001 0.000 0.306 210 H C 0.298 175.673 175.328 0.080 0.000 1.109 210 H CA 0.065 56.105 56.048 -0.013 0.000 1.063 210 H CB -0.203 29.556 29.762 -0.005 0.000 1.535 210 H HN 0.240 nan 8.280 nan 0.000 0.532 211 M N -1.653 118.089 119.600 0.237 0.000 2.727 211 M HA 0.548 5.029 4.480 0.001 0.000 0.300 211 M C -1.140 175.451 176.300 0.484 0.000 1.246 211 M CA -1.039 54.452 55.300 0.318 0.000 0.835 211 M CB 2.488 35.252 32.600 0.273 0.000 1.755 211 M HN -0.315 nan 8.290 nan 0.000 0.473 212 D N 0.316 120.985 120.400 0.449 0.000 2.387 212 D HA 0.749 5.389 4.640 0.001 0.000 0.255 212 D C -0.613 175.809 176.300 0.203 0.000 1.081 212 D CA 0.041 54.264 54.000 0.371 0.000 0.994 212 D CB 2.024 42.986 40.800 0.270 0.000 1.127 212 D HN 0.869 nan 8.370 nan 0.000 0.513 213 G N -0.342 108.160 108.800 -0.496 0.000 2.519 213 G HA2 0.631 4.592 3.960 0.001 0.000 0.307 213 G HA3 0.631 4.592 3.960 0.001 0.000 0.307 213 G C -1.745 172.193 174.900 -1.603 0.000 1.266 213 G CA -0.422 43.906 45.100 -1.287 0.000 0.970 213 G HN 0.344 nan 8.290 nan 0.000 0.481 214 Y N -0.799 119.157 120.300 -0.572 0.000 2.519 214 Y HA 0.442 4.992 4.550 0.001 0.000 0.336 214 Y C 0.978 176.898 175.900 0.032 0.000 1.089 214 Y CA -0.524 57.486 58.100 -0.150 0.000 1.025 214 Y CB 2.441 40.805 38.460 -0.160 0.000 1.318 214 Y HN 0.674 nan 8.280 nan 0.000 0.452 215 G N 0.114 109.095 108.800 0.301 0.000 2.813 215 G HA2 0.166 4.127 3.960 0.001 0.000 0.209 215 G HA3 0.166 4.127 3.960 0.001 0.000 0.209 215 G C 0.847 175.890 174.900 0.238 0.000 1.150 215 G CA 0.805 46.101 45.100 0.326 0.000 0.785 215 G HN 0.729 nan 8.290 nan 0.000 0.535 216 S N -0.677 115.047 115.700 0.040 0.000 1.832 216 S HA -0.273 4.198 4.470 0.001 0.000 0.231 216 S C 1.071 175.468 174.600 -0.338 0.000 0.901 216 S CA 1.545 59.612 58.200 -0.221 0.000 1.687 216 S CB -1.251 61.750 63.200 -0.331 0.000 1.858 216 S HN 0.681 nan 8.310 nan 0.000 0.523 217 H N 1.713 120.641 119.070 -0.237 0.000 2.801 217 H HA 0.279 4.836 4.556 0.001 0.000 0.377 217 H C 0.482 175.365 175.328 -0.742 0.000 1.304 217 H CA 1.001 56.736 56.048 -0.522 0.000 1.451 217 H CB 0.013 29.338 29.762 -0.728 0.000 1.474 217 H HN 0.368 nan 8.280 nan 0.000 0.620 218 T N 2.551 116.763 114.554 -0.570 0.000 2.767 218 T HA 0.326 4.676 4.350 0.001 0.000 0.288 218 T C -0.119 174.251 174.700 -0.550 0.000 0.963 218 T CA -0.266 61.538 62.100 -0.493 0.000 1.019 218 T CB -0.000 68.726 68.868 -0.237 0.000 0.923 218 T HN 0.194 nan 8.240 nan 0.000 0.468 219 F N 1.359 121.334 119.950 0.042 0.000 2.629 219 F HA 0.624 5.152 4.527 0.001 0.000 0.386 219 F C 0.741 176.663 175.800 0.203 0.000 1.135 219 F CA -1.174 56.898 58.000 0.121 0.000 1.116 219 F CB 1.047 40.144 39.000 0.161 0.000 1.426 219 F HN 0.058 nan 8.300 nan 0.000 0.501 220 K N 1.484 122.135 120.400 0.419 0.000 2.378 220 K HA 0.581 4.901 4.320 0.001 0.000 0.252 220 K C -1.513 175.190 176.600 0.172 0.000 0.931 220 K CA -0.420 56.041 56.287 0.289 0.000 0.794 220 K CB 1.957 34.626 32.500 0.282 0.000 1.181 220 K HN 0.471 nan 8.250 nan 0.000 0.425 221 L N 2.788 124.075 121.223 0.106 0.000 2.342 221 L HA 0.647 4.988 4.340 0.001 0.000 0.271 221 L C -0.651 176.249 176.870 0.050 0.000 1.008 221 L CA -1.301 53.588 54.840 0.081 0.000 0.818 221 L CB 2.093 44.204 42.059 0.086 0.000 1.296 221 L HN 0.234 nan 8.230 nan 0.000 0.427 222 V N 0.576 120.517 119.914 0.045 0.000 2.612 222 V HA 0.261 4.382 4.120 0.001 0.000 0.301 222 V C -0.579 175.539 176.094 0.040 0.000 1.059 222 V CA -1.088 61.224 62.300 0.019 0.000 0.886 222 V CB 1.659 33.494 31.823 0.020 0.000 1.007 222 V HN 0.906 nan 8.190 nan 0.000 0.426 223 N N 3.368 122.091 118.700 0.039 0.000 2.408 223 N HA 0.497 5.237 4.740 0.001 0.000 0.260 223 N C 1.177 176.700 175.510 0.023 0.000 1.242 223 N CA -0.090 52.981 53.050 0.036 0.000 0.959 223 N CB 0.937 39.434 38.487 0.017 0.000 1.201 223 N HN 0.711 nan 8.380 nan 0.000 0.511 224 A N -0.846 121.984 122.820 0.018 0.000 2.234 224 A HA -0.185 4.136 4.320 0.001 0.000 0.216 224 A C 1.205 178.795 177.584 0.011 0.000 1.167 224 A CA 1.628 53.673 52.037 0.013 0.000 0.698 224 A CB -0.984 18.023 19.000 0.010 0.000 0.779 224 A HN 0.866 nan 8.150 nan 0.000 0.475 225 D N -2.449 117.956 120.400 0.008 0.000 2.349 225 D HA 0.328 4.968 4.640 0.001 0.000 0.214 225 D C 1.255 177.563 176.300 0.013 0.000 1.063 225 D CA 0.934 54.936 54.000 0.004 0.000 0.847 225 D CB -0.038 40.757 40.800 -0.009 0.000 0.933 225 D HN 0.432 nan 8.370 nan 0.000 0.513 226 G N 0.782 109.600 108.800 0.029 0.000 2.184 226 G HA2 -0.309 3.652 3.960 0.001 0.000 0.264 226 G HA3 -0.309 3.652 3.960 0.001 0.000 0.264 226 G C 0.001 174.935 174.900 0.057 0.000 0.975 226 G CA 0.170 45.310 45.100 0.067 0.000 0.642 226 G HN 0.437 nan 8.290 nan 0.000 0.536 227 E N 0.579 120.777 120.200 -0.004 0.000 2.289 227 E HA 0.609 4.959 4.350 0.001 0.000 0.278 227 E C 0.475 177.016 176.600 -0.099 0.000 1.032 227 E CA 0.250 56.615 56.400 -0.058 0.000 0.854 227 E CB 1.331 31.006 29.700 -0.043 0.000 1.046 227 E HN 0.645 nan 8.360 nan 0.000 0.409 228 A N 2.803 125.475 122.820 -0.247 0.000 2.337 228 A HA 0.741 5.062 4.320 0.001 0.000 0.331 228 A C -1.059 176.575 177.584 0.083 0.000 1.137 228 A CA -0.688 51.226 52.037 -0.204 0.000 0.807 228 A CB 1.799 20.430 19.000 -0.614 0.000 1.250 228 A HN 0.419 nan 8.150 nan 0.000 0.468 229 V N 1.542 121.528 119.914 0.119 0.000 2.891 229 V HA 0.498 4.619 4.120 0.001 0.000 0.304 229 V C -1.912 174.152 176.094 -0.049 0.000 1.171 229 V CA -0.697 61.653 62.300 0.084 0.000 0.943 229 V CB 1.715 33.620 31.823 0.135 0.000 1.037 229 V HN 0.803 nan 8.190 nan 0.000 0.427 230 Y N 5.122 125.388 120.300 -0.057 0.000 2.411 230 Y HA 0.558 5.109 4.550 0.001 0.000 0.333 230 Y C 0.832 176.791 175.900 0.098 0.000 1.186 230 Y CA 0.199 58.290 58.100 -0.016 0.000 1.381 230 Y CB 0.770 39.176 38.460 -0.090 0.000 1.273 230 Y HN 0.954 nan 8.280 nan 0.000 0.546 231 C N 1.552 121.031 119.300 0.298 0.000 3.161 231 C HA 0.932 5.392 4.460 0.001 0.000 0.330 231 C C -1.032 173.904 174.990 -0.090 0.000 1.396 231 C CA -1.330 57.766 59.018 0.129 0.000 1.536 231 C CB 1.817 29.454 27.740 -0.172 0.000 1.978 231 C HN 0.867 nan 8.230 nan 0.000 0.454 232 K N 0.448 120.706 120.400 -0.236 0.000 2.619 232 K HA 0.612 4.933 4.320 0.001 0.000 0.251 232 K C -1.500 174.975 176.600 -0.209 0.000 0.987 232 K CA -0.098 55.984 56.287 -0.342 0.000 0.844 232 K CB 1.045 33.166 32.500 -0.633 0.000 1.237 232 K HN 0.630 nan 8.250 nan 0.000 0.447 233 F N 2.613 122.592 119.950 0.048 0.000 2.382 233 F HA 0.350 4.878 4.527 0.001 0.000 0.331 233 F C 0.754 176.533 175.800 -0.036 0.000 1.121 233 F CA 0.115 58.161 58.000 0.077 0.000 1.183 233 F CB 0.798 39.829 39.000 0.052 0.000 1.207 233 F HN 0.296 nan 8.300 nan 0.000 0.555 234 H N 1.967 121.316 119.070 0.466 0.000 3.017 234 H HA 0.185 4.741 4.556 0.001 0.000 0.340 234 H C -1.602 173.976 175.328 0.417 0.000 1.014 234 H CA -0.769 55.487 56.048 0.347 0.000 1.341 234 H CB 1.596 31.571 29.762 0.354 0.000 1.739 234 H HN 0.557 nan 8.280 nan 0.000 0.506 235 Y N 0.600 120.929 120.300 0.048 0.000 2.646 235 Y HA 0.429 4.980 4.550 0.001 0.000 0.334 235 Y C -0.091 175.989 175.900 0.300 0.000 1.004 235 Y CA -1.396 56.767 58.100 0.105 0.000 1.301 235 Y CB 0.144 38.561 38.460 -0.071 0.000 1.093 235 Y HN 0.163 nan 8.280 nan 0.000 0.530 236 K N 1.241 121.895 120.400 0.424 0.000 2.270 236 K HA 0.292 4.612 4.320 0.001 0.000 0.276 236 K C 0.447 177.289 176.600 0.404 0.000 1.023 236 K CA -0.551 55.980 56.287 0.405 0.000 0.955 236 K CB 1.196 33.919 32.500 0.372 0.000 0.975 236 K HN 0.706 nan 8.250 nan 0.000 0.471 237 T N 0.664 115.356 114.554 0.229 0.000 2.918 237 T HA 0.013 4.363 4.350 0.001 0.000 0.302 237 T C 0.304 174.906 174.700 -0.163 0.000 1.045 237 T CA -0.361 61.535 62.100 -0.339 0.000 1.114 237 T CB 0.354 69.041 68.868 -0.302 0.000 0.965 237 T HN 0.417 nan 8.240 nan 0.000 0.540 238 D N 3.126 123.355 120.400 -0.285 0.000 2.369 238 D HA 0.095 4.735 4.640 0.001 0.000 0.211 238 D C 1.130 177.368 176.300 -0.102 0.000 1.077 238 D CA 0.252 54.185 54.000 -0.113 0.000 0.842 238 D CB 0.573 41.327 40.800 -0.077 0.000 0.947 238 D HN 0.544 nan 8.370 nan 0.000 0.509 239 Q N 0.230 119.938 119.800 -0.152 0.000 2.280 239 Q HA 0.364 4.705 4.340 0.001 0.000 0.201 239 Q C 0.571 176.666 176.000 0.158 0.000 0.890 239 Q CA -0.049 55.753 55.803 -0.002 0.000 0.947 239 Q CB 0.907 29.572 28.738 -0.122 0.000 1.081 239 Q HN 0.177 nan 8.270 nan 0.000 0.502 240 G N 0.911 109.754 108.800 0.071 0.000 2.778 240 G HA2 -0.256 3.705 3.960 0.001 0.000 0.686 240 G HA3 -0.256 3.705 3.960 0.001 0.000 0.686 240 G C -0.420 174.543 174.900 0.105 0.000 1.309 240 G CA -0.747 44.396 45.100 0.071 0.000 0.904 240 G HN 0.262 nan 8.290 nan 0.000 0.593 241 I N 1.532 122.161 120.570 0.098 0.000 2.668 241 I HA 0.242 4.412 4.170 0.001 0.000 0.285 241 I C 0.827 176.971 176.117 0.044 0.000 1.168 241 I CA 0.723 62.094 61.300 0.118 0.000 1.424 241 I CB 0.787 38.867 38.000 0.134 0.000 1.377 241 I HN 0.556 nan 8.210 nan 0.000 0.560 242 K N 6.859 127.294 120.400 0.058 0.000 2.601 242 K HA 0.369 4.690 4.320 0.001 0.000 0.249 242 K C -1.190 175.438 176.600 0.047 0.000 0.966 242 K CA -0.673 55.592 56.287 -0.036 0.000 0.827 242 K CB 1.137 33.451 32.500 -0.310 0.000 1.178 242 K HN 0.555 nan 8.250 nan 0.000 0.437 243 N N 3.377 122.092 118.700 0.026 0.000 2.604 243 N HA 0.519 5.260 4.740 0.001 0.000 0.297 243 N C -0.693 174.827 175.510 0.016 0.000 1.266 243 N CA -0.536 52.535 53.050 0.035 0.000 0.961 243 N CB 0.863 39.364 38.487 0.024 0.000 1.166 243 N HN 0.409 nan 8.380 nan 0.000 0.601 244 L N 0.672 121.899 121.223 0.007 0.000 2.385 244 L HA 0.287 4.628 4.340 0.001 0.000 0.273 244 L C 0.375 177.238 176.870 -0.013 0.000 0.990 244 L CA -0.870 53.959 54.840 -0.019 0.000 0.821 244 L CB 1.937 43.961 42.059 -0.057 0.000 1.279 244 L HN 0.623 nan 8.230 nan 0.000 0.412 245 S N 1.374 117.066 115.700 -0.013 0.000 2.563 245 S HA 0.061 4.531 4.470 0.001 0.000 0.284 245 S C 1.318 175.922 174.600 0.007 0.000 1.331 245 S CA -0.758 57.443 58.200 0.002 0.000 1.047 245 S CB 1.230 64.430 63.200 0.000 0.000 0.859 245 S HN 0.368 nan 8.310 nan 0.000 0.514 246 V N 2.709 122.639 119.914 0.028 0.000 2.313 246 V HA -0.241 3.880 4.120 0.001 0.000 0.253 246 V C 2.752 178.864 176.094 0.029 0.000 1.070 246 V CA 2.481 64.806 62.300 0.041 0.000 1.057 246 V CB -1.242 30.620 31.823 0.066 0.000 0.653 246 V HN 0.955 nan 8.190 nan 0.000 0.450 247 E N -0.233 119.981 120.200 0.024 0.000 2.012 247 E HA -0.246 4.104 4.350 0.001 0.000 0.197 247 E C 2.116 178.720 176.600 0.007 0.000 1.007 247 E CA 1.665 58.077 56.400 0.020 0.000 0.816 247 E CB -0.281 29.429 29.700 0.016 0.000 0.762 247 E HN 0.625 nan 8.360 nan 0.000 0.451 248 D N 0.307 120.698 120.400 -0.015 0.000 2.127 248 D HA -0.222 4.419 4.640 0.001 0.000 0.190 248 D C 1.909 178.166 176.300 -0.071 0.000 1.000 248 D CA 1.475 55.444 54.000 -0.052 0.000 0.839 248 D CB -0.441 40.310 40.800 -0.080 0.000 0.955 248 D HN 0.178 nan 8.370 nan 0.000 0.446 249 A N 1.449 124.228 122.820 -0.068 0.000 1.909 249 A HA -0.278 4.043 4.320 0.001 0.000 0.221 249 A C 2.398 179.972 177.584 -0.015 0.000 1.223 249 A CA 3.459 55.458 52.037 -0.064 0.000 0.658 249 A CB -1.071 17.916 19.000 -0.022 0.000 0.831 249 A HN 0.317 nan 8.150 nan 0.000 0.462 250 A N -0.874 121.960 122.820 0.023 0.000 1.902 250 A HA -0.170 4.150 4.320 0.001 0.000 0.217 250 A C 2.248 179.930 177.584 0.164 0.000 1.181 250 A CA 1.962 54.038 52.037 0.065 0.000 0.623 250 A CB -0.513 18.512 19.000 0.042 0.000 0.818 250 A HN 0.635 nan 8.150 nan 0.000 0.443 251 R N -0.726 119.850 120.500 0.126 0.000 2.070 251 R HA -0.130 4.211 4.340 0.001 0.000 0.232 251 R C 1.885 178.184 176.300 -0.002 0.000 1.138 251 R CA 1.804 58.003 56.100 0.165 0.000 0.936 251 R CB -0.482 29.844 30.300 0.044 0.000 0.839 251 R HN 0.360 nan 8.270 nan 0.000 0.429 252 L N 1.174 122.353 121.223 -0.074 0.000 2.042 252 L HA -0.130 4.210 4.340 0.001 0.000 0.210 252 L C 2.657 179.501 176.870 -0.043 0.000 1.076 252 L CA 2.025 56.783 54.840 -0.136 0.000 0.749 252 L CB -1.017 40.854 42.059 -0.313 0.000 0.893 252 L HN 0.357 nan 8.230 nan 0.000 0.432 253 A N 0.024 122.864 122.820 0.033 0.000 1.929 253 A HA -0.318 4.003 4.320 0.001 0.000 0.221 253 A C 2.206 179.872 177.584 0.136 0.000 1.211 253 A CA 2.643 54.734 52.037 0.091 0.000 0.657 253 A CB -0.993 18.074 19.000 0.111 0.000 0.827 253 A HN 0.741 nan 8.150 nan 0.000 0.462 254 H N -2.765 116.304 119.070 -0.001 0.000 2.729 254 H HA 0.284 4.841 4.556 0.001 0.000 0.263 254 H C 1.615 176.948 175.328 0.009 0.000 0.961 254 H CA 0.837 56.888 56.048 0.006 0.000 1.217 254 H CB -0.342 29.422 29.762 0.004 0.000 1.447 254 H HN 0.604 nan 8.280 nan 0.000 0.496 255 E N 0.739 120.635 120.200 -0.506 0.000 2.152 255 E HA -0.089 4.262 4.350 0.001 0.000 0.192 255 E C -0.270 176.258 176.600 -0.120 0.000 0.983 255 E CA 1.103 57.291 56.400 -0.353 0.000 0.818 255 E CB 0.427 29.932 29.700 -0.326 0.000 0.758 255 E HN 0.315 nan 8.360 nan 0.000 0.467 256 D N -1.694 118.674 120.400 -0.053 0.000 2.584 256 D HA 0.123 4.763 4.640 0.001 0.000 0.238 256 D C -2.347 173.991 176.300 0.063 0.000 1.302 256 D CA -1.480 52.537 54.000 0.027 0.000 0.884 256 D CB 0.952 41.808 40.800 0.093 0.000 1.456 256 D HN -0.198 nan 8.370 nan 0.000 0.528 257 P HA -0.056 nan 4.420 nan 0.000 0.218 257 P C -0.075 177.272 177.300 0.079 0.000 1.146 257 P CA 0.969 64.107 63.100 0.062 0.000 0.813 257 P CB 0.250 31.980 31.700 0.050 0.000 0.778 258 D N -2.206 118.235 120.400 0.068 0.000 2.894 258 D HA 0.031 4.672 4.640 0.001 0.000 0.248 258 D C 0.976 177.322 176.300 0.077 0.000 1.291 258 D CA -0.399 53.637 54.000 0.060 0.000 0.840 258 D CB -0.645 40.157 40.800 0.003 0.000 1.044 258 D HN 0.209 nan 8.370 nan 0.000 0.484 259 Y N 1.685 121.972 120.300 -0.020 0.000 2.224 259 Y HA -0.147 4.404 4.550 0.001 0.000 0.289 259 Y C 2.257 178.107 175.900 -0.084 0.000 1.146 259 Y CA 1.944 60.019 58.100 -0.041 0.000 1.182 259 Y CB 0.008 38.444 38.460 -0.039 0.000 0.983 259 Y HN 0.132 nan 8.280 nan 0.000 0.524 260 G N -0.075 108.718 108.800 -0.012 0.000 2.408 260 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 260 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 260 G C 1.406 176.202 174.900 -0.174 0.000 1.150 260 G CA 1.123 46.031 45.100 -0.320 0.000 0.776 260 G HN 0.343 nan 8.290 nan 0.000 0.542 261 L N 1.261 122.506 121.223 0.038 0.000 1.948 261 L HA -0.035 4.306 4.340 0.001 0.000 0.212 261 L C 3.079 179.987 176.870 0.064 0.000 1.074 261 L CA 2.248 57.151 54.840 0.104 0.000 0.753 261 L CB -0.990 41.097 42.059 0.047 0.000 0.888 261 L HN 0.358 nan 8.230 nan 0.000 0.432 262 R N -0.356 120.132 120.500 -0.020 0.000 2.113 262 R HA -0.252 4.088 4.340 0.001 0.000 0.244 262 R C 1.886 178.195 176.300 0.014 0.000 1.142 262 R CA 1.863 57.966 56.100 0.004 0.000 0.953 262 R CB -1.366 28.897 30.300 -0.061 0.000 0.860 262 R HN 0.378 nan 8.270 nan 0.000 0.438 263 D N 0.898 121.191 120.400 -0.178 0.000 2.182 263 D HA -0.234 4.406 4.640 0.001 0.000 0.193 263 D C 1.868 178.126 176.300 -0.071 0.000 0.999 263 D CA 1.751 55.621 54.000 -0.217 0.000 0.850 263 D CB -0.202 40.345 40.800 -0.422 0.000 0.994 263 D HN 0.182 nan 8.370 nan 0.000 0.450 264 L N -0.402 120.788 121.223 -0.055 0.000 2.034 264 L HA -0.163 4.177 4.340 0.001 0.000 0.217 264 L C 2.186 179.141 176.870 0.142 0.000 1.077 264 L CA 1.999 56.873 54.840 0.057 0.000 0.769 264 L CB -1.274 40.894 42.059 0.182 0.000 0.890 264 L HN 0.282 nan 8.230 nan 0.000 0.435 265 F N 0.639 120.621 119.950 0.054 0.000 2.010 265 F HA -0.272 4.256 4.527 0.001 0.000 0.296 265 F C 2.428 178.269 175.800 0.070 0.000 1.146 265 F CA 2.212 60.263 58.000 0.086 0.000 1.181 265 F CB -0.614 38.431 39.000 0.075 0.000 0.965 265 F HN 0.248 nan 8.300 nan 0.000 0.480 266 N N 1.072 119.926 118.700 0.257 0.000 2.018 266 N HA -0.277 4.463 4.740 0.001 0.000 0.196 266 N C 2.042 177.535 175.510 -0.027 0.000 1.043 266 N CA 1.719 54.836 53.050 0.111 0.000 0.856 266 N CB -1.294 37.273 38.487 0.133 0.000 1.042 266 N HN 0.445 nan 8.380 nan 0.000 0.423 267 A N 1.793 124.600 122.820 -0.022 0.000 1.900 267 A HA -0.264 4.056 4.320 0.001 0.000 0.225 267 A C 2.377 179.921 177.584 -0.067 0.000 1.414 267 A CA 2.263 54.269 52.037 -0.052 0.000 0.702 267 A CB -1.261 17.710 19.000 -0.049 0.000 0.845 267 A HN 0.348 nan 8.150 nan 0.000 0.478 268 I N -0.739 119.817 120.570 -0.023 0.000 2.252 268 I HA -0.236 3.935 4.170 0.001 0.000 0.245 268 I C 2.972 179.069 176.117 -0.034 0.000 1.102 268 I CA 0.989 62.328 61.300 0.066 0.000 1.385 268 I CB -0.443 37.627 38.000 0.117 0.000 1.064 268 I HN 0.418 nan 8.210 nan 0.000 0.414 269 A N 0.647 123.356 122.820 -0.185 0.000 1.883 269 A HA -0.233 4.088 4.320 0.001 0.000 0.217 269 A C 2.158 179.694 177.584 -0.080 0.000 1.186 269 A CA 2.339 54.277 52.037 -0.166 0.000 0.624 269 A CB -1.275 17.604 19.000 -0.201 0.000 0.822 269 A HN 0.506 nan 8.150 nan 0.000 0.444 270 T N -3.177 111.324 114.554 -0.087 0.000 3.500 270 T HA 0.407 4.758 4.350 0.001 0.000 0.244 270 T C 1.216 175.804 174.700 -0.188 0.000 0.962 270 T CA 0.852 62.897 62.100 -0.092 0.000 0.932 270 T CB -0.787 68.044 68.868 -0.061 0.000 1.096 270 T HN 1.676 nan 8.240 nan 0.000 0.617 271 G N 2.070 110.705 108.800 -0.275 0.000 2.230 271 G HA2 -0.382 3.579 3.960 0.001 0.000 0.270 271 G HA3 -0.382 3.579 3.960 0.001 0.000 0.270 271 G C 0.280 174.613 174.900 -0.944 0.000 0.987 271 G CA 0.497 45.208 45.100 -0.650 0.000 0.664 271 G HN 0.747 nan 8.290 nan 0.000 0.539 272 N N 0.317 118.714 118.700 -0.505 0.000 3.245 272 N HA 0.303 5.043 4.740 0.001 0.000 0.296 272 N C -0.152 175.229 175.510 -0.215 0.000 1.254 272 N CA -0.662 52.191 53.050 -0.328 0.000 1.190 272 N CB -0.118 38.270 38.487 -0.166 0.000 1.460 272 N HN 0.287 nan 8.380 nan 0.000 0.538 273 Y N 0.988 121.284 120.300 -0.006 0.000 2.632 273 Y HA 0.151 4.702 4.550 0.001 0.000 0.329 273 Y C -1.718 174.173 175.900 -0.015 0.000 1.174 273 Y CA -2.083 56.021 58.100 0.007 0.000 1.469 273 Y CB -0.460 38.019 38.460 0.031 0.000 1.242 273 Y HN 0.402 nan 8.280 nan 0.000 0.540 274 P HA 0.394 nan 4.420 nan 0.000 0.274 274 P C -0.756 176.561 177.300 0.028 0.000 1.256 274 P CA -0.546 62.534 63.100 -0.032 0.000 0.795 274 P CB 1.204 32.903 31.700 -0.002 0.000 1.038 275 S N -1.683 113.838 115.700 -0.297 0.000 2.578 275 S HA 0.651 5.122 4.470 0.001 0.000 0.272 275 S C -2.036 172.496 174.600 -0.112 0.000 1.145 275 S CA -0.884 57.351 58.200 0.058 0.000 0.835 275 S CB 0.913 64.150 63.200 0.063 0.000 1.104 275 S HN 0.486 nan 8.310 nan 0.000 0.458 276 W N 0.175 121.589 121.300 0.189 0.000 3.031 276 W HA 0.486 5.146 4.660 0.001 0.000 0.337 276 W C -1.004 175.610 176.519 0.159 0.000 1.187 276 W CA -0.836 56.644 57.345 0.224 0.000 1.166 276 W CB 2.400 32.082 29.460 0.371 0.000 1.437 276 W HN 0.668 nan 8.180 nan 0.000 0.551 277 T N 3.274 118.024 114.554 0.326 0.000 2.801 277 T HA 0.247 4.597 4.350 0.001 0.000 0.306 277 T C -0.503 174.096 174.700 -0.168 0.000 1.020 277 T CA -0.438 61.686 62.100 0.040 0.000 0.948 277 T CB 0.276 69.162 68.868 0.031 0.000 0.962 277 T HN 0.134 nan 8.240 nan 0.000 0.465 278 L N 6.064 127.230 121.223 -0.094 0.000 2.319 278 L HA 0.478 4.819 4.340 0.001 0.000 0.280 278 L C -1.238 175.457 176.870 -0.291 0.000 1.099 278 L CA 0.142 54.968 54.840 -0.023 0.000 0.828 278 L CB -0.329 41.857 42.059 0.211 0.000 1.150 278 L HN 0.531 nan 8.230 nan 0.000 0.442 279 Y N 5.084 125.533 120.300 0.248 0.000 2.805 279 Y HA 0.773 5.323 4.550 0.001 0.000 0.321 279 Y C 0.084 176.097 175.900 0.188 0.000 1.203 279 Y CA -0.836 57.354 58.100 0.150 0.000 1.165 279 Y CB 1.143 39.659 38.460 0.094 0.000 1.371 279 Y HN 0.546 nan 8.280 nan 0.000 0.564 280 I N -1.671 119.079 120.570 0.300 0.000 2.882 280 I HA 0.490 4.661 4.170 0.001 0.000 0.298 280 I C -1.954 174.239 176.117 0.128 0.000 1.462 280 I CA -1.125 60.258 61.300 0.139 0.000 1.000 280 I CB 2.484 40.431 38.000 -0.089 0.000 1.340 280 I HN 0.474 nan 8.210 nan 0.000 0.462 281 Q N 3.270 123.177 119.800 0.178 0.000 2.322 281 Q HA 0.654 4.995 4.340 0.001 0.000 0.265 281 Q C -1.221 174.914 176.000 0.225 0.000 0.985 281 Q CA -0.933 55.039 55.803 0.282 0.000 0.849 281 Q CB 3.129 32.217 28.738 0.583 0.000 1.274 281 Q HN 0.558 nan 8.270 nan 0.000 0.449 282 V N 3.918 123.863 119.914 0.051 0.000 2.435 282 V HA 0.483 4.603 4.120 0.001 0.000 0.290 282 V C -0.268 175.792 176.094 -0.056 0.000 1.030 282 V CA -0.513 61.739 62.300 -0.080 0.000 0.881 282 V CB 1.561 33.172 31.823 -0.353 0.000 0.983 282 V HN 0.784 nan 8.190 nan 0.000 0.445 283 M N 5.362 124.865 119.600 -0.161 0.000 2.124 283 M HA 0.371 4.851 4.480 0.001 0.000 0.280 283 M C 0.140 176.368 176.300 -0.120 0.000 0.954 283 M CA -0.383 54.730 55.300 -0.312 0.000 0.958 283 M CB 1.788 33.735 32.600 -1.089 0.000 1.611 283 M HN 0.893 nan 8.290 nan 0.000 0.449 284 T N 1.038 115.594 114.554 0.003 0.000 2.795 284 T HA 0.151 4.501 4.350 0.001 0.000 0.314 284 T C 0.775 175.539 174.700 0.107 0.000 1.069 284 T CA 0.009 62.171 62.100 0.102 0.000 1.071 284 T CB 0.421 69.359 68.868 0.117 0.000 0.988 284 T HN 0.523 nan 8.240 nan 0.000 0.543 285 F N 0.944 120.831 119.950 -0.105 0.000 2.134 285 F HA -0.016 4.512 4.527 0.001 0.000 0.299 285 F C 3.049 178.860 175.800 0.019 0.000 1.097 285 F CA 1.376 59.355 58.000 -0.036 0.000 1.264 285 F CB -1.290 37.663 39.000 -0.079 0.000 1.001 285 F HN 0.621 nan 8.300 nan 0.000 0.479 286 S N 0.306 116.129 115.700 0.206 0.000 2.392 286 S HA -0.288 4.182 4.470 0.001 0.000 0.225 286 S C 1.882 176.534 174.600 0.086 0.000 1.041 286 S CA 1.831 60.100 58.200 0.116 0.000 1.100 286 S CB -0.824 62.423 63.200 0.078 0.000 1.029 286 S HN 0.453 nan 8.310 nan 0.000 0.424 287 E N 1.619 121.861 120.200 0.070 0.000 2.136 287 E HA -0.237 4.114 4.350 0.001 0.000 0.202 287 E C 2.347 178.952 176.600 0.008 0.000 1.019 287 E CA 1.181 57.619 56.400 0.062 0.000 0.819 287 E CB -0.420 29.339 29.700 0.097 0.000 0.739 287 E HN 0.564 nan 8.360 nan 0.000 0.458 288 A N 1.479 124.259 122.820 -0.066 0.000 1.978 288 A HA -0.235 4.086 4.320 0.001 0.000 0.220 288 A C 1.967 179.540 177.584 -0.018 0.000 1.170 288 A CA 1.305 53.250 52.037 -0.153 0.000 0.636 288 A CB -0.316 18.621 19.000 -0.106 0.000 0.810 288 A HN 0.140 nan 8.150 nan 0.000 0.448 289 E N -0.924 119.310 120.200 0.056 0.000 2.268 289 E HA -0.082 4.268 4.350 0.001 0.000 0.195 289 E C 1.368 178.005 176.600 0.062 0.000 0.995 289 E CA 0.518 56.962 56.400 0.074 0.000 0.836 289 E CB -0.019 29.733 29.700 0.087 0.000 0.763 289 E HN 0.525 nan 8.360 nan 0.000 0.491 290 I N 0.135 120.746 120.570 0.068 0.000 3.708 290 I HA -0.004 4.166 4.170 0.001 0.000 0.302 290 I C 0.455 176.619 176.117 0.079 0.000 1.255 290 I CA -0.152 61.183 61.300 0.059 0.000 1.362 290 I CB -0.284 37.747 38.000 0.052 0.000 1.100 290 I HN -0.093 nan 8.210 nan 0.000 0.434 291 F N 5.113 125.012 119.950 -0.085 0.000 2.604 291 F HA -0.038 4.489 4.527 0.001 0.000 0.390 291 F C -0.903 174.811 175.800 -0.143 0.000 1.053 291 F CA -1.180 56.755 58.000 -0.109 0.000 1.256 291 F CB 0.167 39.074 39.000 -0.156 0.000 0.996 291 F HN 0.054 nan 8.300 nan 0.000 0.564 292 P HA -0.126 nan 4.420 nan 0.000 0.228 292 P C -0.445 176.286 177.300 -0.949 0.000 1.151 292 P CA 1.381 64.001 63.100 -0.800 0.000 0.770 292 P CB -0.056 31.029 31.700 -1.024 0.000 0.786 293 F N -1.444 118.300 119.950 -0.344 0.000 2.675 293 F HA 0.336 4.864 4.527 0.001 0.000 0.324 293 F C 0.647 176.596 175.800 0.248 0.000 1.106 293 F CA -1.905 56.069 58.000 -0.044 0.000 0.970 293 F CB -0.042 38.927 39.000 -0.053 0.000 1.385 293 F HN -0.360 nan 8.300 nan 0.000 0.489 294 N N 2.940 121.887 118.700 0.411 0.000 2.427 294 N HA 0.124 4.864 4.740 0.001 0.000 0.269 294 N C -2.058 173.552 175.510 0.168 0.000 1.235 294 N CA -1.251 51.938 53.050 0.232 0.000 0.934 294 N CB 1.067 39.666 38.487 0.186 0.000 1.121 294 N HN 0.134 nan 8.380 nan 0.000 0.480 295 P HA -0.007 nan 4.420 nan 0.000 0.231 295 P C 0.030 176.990 177.300 -0.566 0.000 1.158 295 P CA 0.949 63.748 63.100 -0.500 0.000 0.763 295 P CB -0.033 31.058 31.700 -1.014 0.000 0.805 296 F N -1.600 118.316 119.950 -0.056 0.000 2.653 296 F HA 0.223 4.751 4.527 0.001 0.000 0.304 296 F C 0.820 176.579 175.800 -0.068 0.000 1.092 296 F CA -1.050 56.876 58.000 -0.125 0.000 1.279 296 F CB -0.348 38.563 39.000 -0.149 0.000 1.044 296 F HN -0.172 nan 8.300 nan 0.000 0.564 297 D N 1.323 121.769 120.400 0.077 0.000 2.317 297 D HA 0.039 4.680 4.640 0.001 0.000 0.252 297 D C 1.132 177.401 176.300 -0.051 0.000 1.174 297 D CA 0.060 54.083 54.000 0.039 0.000 0.866 297 D CB 1.285 42.108 40.800 0.038 0.000 1.127 297 D HN 0.090 nan 8.370 nan 0.000 0.467 298 L N 4.047 125.238 121.223 -0.053 0.000 2.376 298 L HA -0.052 4.289 4.340 0.001 0.000 0.219 298 L C 2.098 178.843 176.870 -0.208 0.000 1.133 298 L CA 1.478 56.233 54.840 -0.141 0.000 0.816 298 L CB -0.607 41.398 42.059 -0.091 0.000 0.933 298 L HN 0.623 nan 8.230 nan 0.000 0.449 299 T N -3.469 110.979 114.554 -0.177 0.000 3.235 299 T HA 0.144 4.494 4.350 0.001 0.000 0.251 299 T C 0.586 175.076 174.700 -0.350 0.000 1.060 299 T CA -0.303 61.636 62.100 -0.269 0.000 0.949 299 T CB -0.180 68.593 68.868 -0.158 0.000 1.020 299 T HN -0.032 nan 8.240 nan 0.000 0.564 300 K N 1.183 121.403 120.400 -0.299 0.000 2.443 300 K HA 0.690 5.010 4.320 0.001 0.000 0.251 300 K C -0.550 175.939 176.600 -0.186 0.000 0.972 300 K CA -0.767 55.391 56.287 -0.216 0.000 0.833 300 K CB 2.587 35.045 32.500 -0.071 0.000 1.317 300 K HN 0.168 nan 8.250 nan 0.000 0.441 301 V N -2.510 117.401 119.914 -0.006 0.000 3.074 301 V HA 0.634 4.755 4.120 0.001 0.000 0.314 301 V C -1.307 175.043 176.094 0.427 0.000 1.117 301 V CA -1.031 61.295 62.300 0.043 0.000 1.014 301 V CB 2.033 33.870 31.823 0.022 0.000 1.057 301 V HN 0.592 nan 8.190 nan 0.000 0.438 302 W N 1.407 122.814 121.300 0.178 0.000 2.283 302 W HA 0.587 5.247 4.660 0.001 0.000 0.317 302 W C -2.537 174.199 176.519 0.361 0.000 1.042 302 W CA -2.796 54.708 57.345 0.264 0.000 1.348 302 W CB 0.156 29.614 29.460 -0.003 0.000 1.216 302 W HN 0.416 nan 8.180 nan 0.000 0.404 303 P HA -0.095 nan 4.420 nan 0.000 0.258 303 P C 1.142 178.716 177.300 0.457 0.000 1.172 303 P CA 0.880 64.224 63.100 0.406 0.000 0.762 303 P CB 0.341 32.232 31.700 0.319 0.000 0.764 304 H N 2.394 121.596 119.070 0.220 0.000 2.390 304 H HA -0.185 4.371 4.556 0.001 0.000 0.298 304 H C 2.143 177.531 175.328 0.100 0.000 1.106 304 H CA 1.029 57.165 56.048 0.146 0.000 1.297 304 H CB -0.185 29.617 29.762 0.067 0.000 1.375 304 H HN 0.599 nan 8.280 nan 0.000 0.509 305 G N 0.503 109.430 108.800 0.212 0.000 2.446 305 G HA2 -0.246 3.714 3.960 0.001 0.000 0.217 305 G HA3 -0.246 3.714 3.960 0.001 0.000 0.217 305 G C 1.294 176.199 174.900 0.009 0.000 1.168 305 G CA 1.086 46.240 45.100 0.090 0.000 0.771 305 G HN 0.415 nan 8.290 nan 0.000 0.551 306 D N -0.809 119.589 120.400 -0.003 0.000 2.194 306 D HA 0.015 4.655 4.640 0.001 0.000 0.204 306 D C -0.135 175.788 176.300 -0.627 0.000 0.964 306 D CA 0.796 54.617 54.000 -0.298 0.000 0.846 306 D CB 0.182 40.825 40.800 -0.262 0.000 0.962 306 D HN 0.409 nan 8.370 nan 0.000 0.490 307 Y N 0.687 121.034 120.300 0.078 0.000 2.609 307 Y HA 0.268 4.819 4.550 0.001 0.000 0.350 307 Y C -2.208 173.723 175.900 0.052 0.000 1.050 307 Y CA -2.234 55.893 58.100 0.046 0.000 1.290 307 Y CB 1.590 40.066 38.460 0.028 0.000 1.094 307 Y HN -0.140 nan 8.280 nan 0.000 0.583 308 P HA 0.092 nan 4.420 nan 0.000 0.271 308 P C -0.510 176.728 177.300 -0.104 0.000 1.233 308 P CA -0.156 62.908 63.100 -0.061 0.000 0.789 308 P CB 1.547 33.216 31.700 -0.052 0.000 0.951 309 L N 1.285 122.342 121.223 -0.277 0.000 2.265 309 L HA 0.383 4.723 4.340 0.001 0.000 0.288 309 L C 0.324 177.131 176.870 -0.105 0.000 1.058 309 L CA -0.816 53.869 54.840 -0.258 0.000 0.809 309 L CB 0.005 41.682 42.059 -0.636 0.000 1.179 309 L HN 0.173 nan 8.230 nan 0.000 0.429 310 I N 5.283 125.897 120.570 0.074 0.000 2.331 310 I HA 0.372 4.543 4.170 0.001 0.000 0.292 310 I C -2.080 174.181 176.117 0.241 0.000 0.998 310 I CA -2.148 59.224 61.300 0.120 0.000 1.267 310 I CB 1.027 39.078 38.000 0.085 0.000 1.386 310 I HN 0.356 nan 8.210 nan 0.000 0.476 311 P HA 0.140 nan 4.420 nan 0.000 0.274 311 P C 0.372 177.498 177.300 -0.291 0.000 1.231 311 P CA -0.062 62.939 63.100 -0.166 0.000 0.790 311 P CB 1.311 32.687 31.700 -0.539 0.000 0.951 312 V N 0.181 120.001 119.914 -0.157 0.000 3.193 312 V HA 0.618 4.739 4.120 0.001 0.000 0.237 312 V C 0.208 176.375 176.094 0.121 0.000 1.447 312 V CA 1.255 63.574 62.300 0.032 0.000 1.227 312 V CB 0.341 32.153 31.823 -0.019 0.000 1.040 312 V HN 0.697 nan 8.190 nan 0.000 0.458 313 G N -0.119 108.742 108.800 0.103 0.000 2.554 313 G HA2 0.516 4.477 3.960 0.001 0.000 0.306 313 G HA3 0.516 4.477 3.960 0.001 0.000 0.306 313 G C -1.994 172.945 174.900 0.066 0.000 1.320 313 G CA -0.797 44.318 45.100 0.024 0.000 0.800 313 G HN 0.195 nan 8.290 nan 0.000 0.481 314 K N 0.016 120.390 120.400 -0.042 0.000 2.324 314 K HA 0.575 4.895 4.320 0.001 0.000 0.253 314 K C -1.183 175.548 176.600 0.218 0.000 0.932 314 K CA -0.648 55.700 56.287 0.101 0.000 0.799 314 K CB 2.483 35.017 32.500 0.058 0.000 1.154 314 K HN 0.279 nan 8.250 nan 0.000 0.425 315 L N 3.209 124.604 121.223 0.288 0.000 2.298 315 L HA 0.431 4.772 4.340 0.001 0.000 0.284 315 L C -0.798 176.182 176.870 0.183 0.000 1.013 315 L CA -1.048 53.948 54.840 0.260 0.000 0.824 315 L CB 1.691 43.925 42.059 0.292 0.000 1.221 315 L HN 0.205 nan 8.230 nan 0.000 0.418 316 V N 5.313 125.151 119.914 -0.127 0.000 2.407 316 V HA 0.359 4.479 4.120 0.001 0.000 0.291 316 V C 0.050 176.045 176.094 -0.164 0.000 1.018 316 V CA -0.412 61.762 62.300 -0.211 0.000 0.842 316 V CB 1.913 33.349 31.823 -0.646 0.000 0.996 316 V HN 0.534 nan 8.190 nan 0.000 0.426 317 L N 5.578 126.850 121.223 0.082 0.000 2.270 317 L HA 0.416 4.757 4.340 0.001 0.000 0.286 317 L C 0.584 177.484 176.870 0.050 0.000 1.059 317 L CA -0.240 54.664 54.840 0.106 0.000 0.839 317 L CB 0.488 42.702 42.059 0.257 0.000 1.221 317 L HN 0.883 nan 8.230 nan 0.000 0.431 318 N N 1.401 120.032 118.700 -0.116 0.000 2.200 318 N HA 0.126 4.866 4.740 0.001 0.000 0.224 318 N C 0.086 175.469 175.510 -0.212 0.000 1.179 318 N CA -0.476 52.283 53.050 -0.485 0.000 0.877 318 N CB 0.663 38.514 38.487 -1.061 0.000 1.072 318 N HN 0.362 nan 8.380 nan 0.000 0.519 319 R N 0.326 120.847 120.500 0.035 0.000 2.651 319 R HA 0.368 4.708 4.340 0.001 0.000 0.278 319 R C -1.527 174.897 176.300 0.206 0.000 1.010 319 R CA -0.534 55.634 56.100 0.113 0.000 0.896 319 R CB 1.209 31.598 30.300 0.148 0.000 1.211 319 R HN 0.121 nan 8.270 nan 0.000 0.456 320 N N 3.234 122.034 118.700 0.166 0.000 2.456 320 N HA 0.418 5.158 4.740 0.001 0.000 0.296 320 N C -2.362 173.360 175.510 0.355 0.000 1.102 320 N CA -1.422 51.760 53.050 0.220 0.000 0.924 320 N CB 1.671 40.155 38.487 -0.004 0.000 1.186 320 N HN 0.379 nan 8.380 nan 0.000 0.492 321 P HA -0.009 nan 4.420 nan 0.000 0.266 321 P C 0.694 178.203 177.300 0.349 0.000 1.195 321 P CA -0.064 63.324 63.100 0.479 0.000 0.768 321 P CB 0.962 32.953 31.700 0.485 0.000 0.838 322 V N 0.973 121.031 119.914 0.239 0.000 2.725 322 V HA 0.022 4.143 4.120 0.001 0.000 0.247 322 V C 1.158 177.376 176.094 0.207 0.000 1.058 322 V CA 1.321 63.747 62.300 0.211 0.000 1.080 322 V CB -0.725 31.181 31.823 0.138 0.000 0.713 322 V HN 0.684 nan 8.190 nan 0.000 0.465 323 N N -0.963 117.858 118.700 0.201 0.000 2.549 323 N HA 0.110 4.851 4.740 0.001 0.000 0.281 323 N C 0.207 175.872 175.510 0.259 0.000 1.084 323 N CA -0.467 52.707 53.050 0.207 0.000 0.862 323 N CB 1.508 40.093 38.487 0.163 0.000 1.333 323 N HN 0.158 nan 8.380 nan 0.000 0.523 324 Y N 4.764 125.175 120.300 0.184 0.000 2.040 324 Y HA -0.293 4.257 4.550 0.001 0.000 0.275 324 Y C 1.660 177.686 175.900 0.210 0.000 1.171 324 Y CA 2.131 60.347 58.100 0.193 0.000 1.123 324 Y CB -0.392 38.166 38.460 0.163 0.000 0.963 324 Y HN 0.598 nan 8.280 nan 0.000 0.493 325 F N 0.437 120.468 119.950 0.136 0.000 2.008 325 F HA -0.334 4.193 4.527 0.001 0.000 0.297 325 F C 2.519 178.297 175.800 -0.038 0.000 1.156 325 F CA 2.410 60.431 58.000 0.034 0.000 1.191 325 F CB -1.319 37.740 39.000 0.099 0.000 0.955 325 F HN 0.128 nan 8.300 nan 0.000 0.497 326 A N -0.431 122.462 122.820 0.121 0.000 1.971 326 A HA -0.286 4.034 4.320 0.001 0.000 0.222 326 A C 2.006 179.536 177.584 -0.088 0.000 1.182 326 A CA 2.417 54.444 52.037 -0.016 0.000 0.649 326 A CB -0.935 18.131 19.000 0.110 0.000 0.818 326 A HN 0.718 nan 8.150 nan 0.000 0.458 327 E N -1.763 118.420 120.200 -0.028 0.000 2.389 327 E HA 0.145 4.496 4.350 0.001 0.000 0.199 327 E C 1.409 178.012 176.600 0.006 0.000 0.978 327 E CA 0.643 57.082 56.400 0.066 0.000 0.912 327 E CB 0.404 30.241 29.700 0.229 0.000 0.907 327 E HN 0.447 nan 8.360 nan 0.000 0.494 328 V N 0.129 119.885 119.914 -0.264 0.000 2.948 328 V HA -0.032 4.088 4.120 0.001 0.000 0.234 328 V C 1.971 177.801 176.094 -0.439 0.000 1.205 328 V CA 0.618 62.671 62.300 -0.412 0.000 1.234 328 V CB 0.080 31.470 31.823 -0.722 0.000 1.020 328 V HN -0.005 nan 8.190 nan 0.000 0.491 329 E N 1.002 120.846 120.200 -0.595 0.000 2.153 329 E HA -0.237 4.114 4.350 0.001 0.000 0.194 329 E C 2.081 178.472 176.600 -0.347 0.000 0.988 329 E CA 1.571 57.773 56.400 -0.331 0.000 0.811 329 E CB -0.156 29.457 29.700 -0.145 0.000 0.746 329 E HN 0.604 nan 8.360 nan 0.000 0.466 330 Q N -0.522 118.990 119.800 -0.480 0.000 2.444 330 Q HA 0.126 4.466 4.340 0.001 0.000 0.206 330 Q C 0.381 176.236 176.000 -0.241 0.000 0.948 330 Q CA -0.317 55.239 55.803 -0.411 0.000 0.946 330 Q CB 0.154 28.586 28.738 -0.509 0.000 1.027 330 Q HN 0.289 nan 8.270 nan 0.000 0.513 331 L N -0.062 121.024 121.223 -0.229 0.000 2.356 331 L HA 0.019 4.360 4.340 0.001 0.000 0.241 331 L C -0.107 176.609 176.870 -0.257 0.000 1.242 331 L CA 0.176 54.857 54.840 -0.264 0.000 0.820 331 L CB 0.264 42.113 42.059 -0.350 0.000 1.124 331 L HN 0.093 nan 8.230 nan 0.000 0.584 332 A N 0.903 123.456 122.820 -0.445 0.000 2.522 332 A HA 0.494 4.814 4.320 0.001 0.000 0.290 332 A C -1.361 175.881 177.584 -0.570 0.000 1.047 332 A CA -0.548 51.190 52.037 -0.498 0.000 0.935 332 A CB 0.167 18.797 19.000 -0.617 0.000 1.451 332 A HN 0.326 nan 8.150 nan 0.000 0.398 333 F N 2.013 121.932 119.950 -0.051 0.000 2.385 333 F HA 0.448 4.975 4.527 0.001 0.000 0.360 333 F C -0.108 175.674 175.800 -0.030 0.000 1.122 333 F CA -0.258 57.685 58.000 -0.095 0.000 1.090 333 F CB 1.802 40.730 39.000 -0.119 0.000 1.150 333 F HN 0.438 nan 8.300 nan 0.000 0.472 334 D N 6.374 126.790 120.400 0.027 0.000 2.461 334 D HA 0.211 4.851 4.640 0.001 0.000 0.240 334 D C -1.884 174.343 176.300 -0.121 0.000 1.094 334 D CA -1.472 52.530 54.000 0.004 0.000 0.868 334 D CB 1.810 42.651 40.800 0.069 0.000 1.062 334 D HN 0.168 nan 8.370 nan 0.000 0.530 335 P HA -0.214 nan 4.420 nan 0.000 0.218 335 P C 1.454 178.708 177.300 -0.077 0.000 1.150 335 P CA 1.269 64.223 63.100 -0.243 0.000 0.841 335 P CB 0.227 31.720 31.700 -0.346 0.000 0.784 336 S N -2.258 113.421 115.700 -0.035 0.000 2.481 336 S HA -0.091 4.379 4.470 0.001 0.000 0.231 336 S C 1.023 175.629 174.600 0.011 0.000 0.996 336 S CA 0.371 58.580 58.200 0.014 0.000 0.942 336 S CB -1.302 61.927 63.200 0.048 0.000 0.768 336 S HN 0.236 nan 8.310 nan 0.000 0.520 337 N N 1.838 120.536 118.700 -0.003 0.000 2.744 337 N HA 0.244 4.984 4.740 0.001 0.000 0.290 337 N C -1.045 174.489 175.510 0.040 0.000 1.206 337 N CA 0.071 53.120 53.050 -0.002 0.000 1.119 337 N CB -0.083 38.388 38.487 -0.028 0.000 1.449 337 N HN 0.456 nan 8.380 nan 0.000 0.514 338 M N 2.306 121.909 119.600 0.004 0.000 2.253 338 M HA 0.429 4.909 4.480 0.001 0.000 0.314 338 M C -2.351 173.867 176.300 -0.136 0.000 1.019 338 M CA -1.821 53.444 55.300 -0.059 0.000 0.932 338 M CB 1.980 34.547 32.600 -0.056 0.000 1.606 338 M HN 0.124 nan 8.290 nan 0.000 0.430 339 P HA 0.467 nan 4.420 nan 0.000 0.279 339 P C -2.787 174.379 177.300 -0.224 0.000 1.276 339 P CA -1.756 61.212 63.100 -0.219 0.000 0.801 339 P CB -0.668 30.878 31.700 -0.257 0.000 1.127 340 P HA 0.104 nan 4.420 nan 0.000 0.261 340 P C 0.905 178.116 177.300 -0.148 0.000 1.183 340 P CA 1.459 64.490 63.100 -0.115 0.000 0.761 340 P CB -0.354 31.297 31.700 -0.082 0.000 0.785 341 G N 2.568 111.309 108.800 -0.097 0.000 2.231 341 G HA2 -0.163 3.798 3.960 0.001 0.000 0.206 341 G HA3 -0.163 3.798 3.960 0.001 0.000 0.206 341 G C -0.067 174.782 174.900 -0.085 0.000 0.996 341 G CA -0.429 44.624 45.100 -0.078 0.000 0.645 341 G HN 0.488 nan 8.290 nan 0.000 0.498 342 I N 0.874 121.355 120.570 -0.148 0.000 2.533 342 I HA 0.642 4.812 4.170 0.001 0.000 0.290 342 I C -0.413 175.685 176.117 -0.032 0.000 1.056 342 I CA -0.682 60.539 61.300 -0.132 0.000 1.057 342 I CB 2.163 39.913 38.000 -0.416 0.000 1.240 342 I HN 0.117 nan 8.210 nan 0.000 0.423 343 E N 6.455 126.712 120.200 0.095 0.000 2.449 343 E HA 0.481 4.831 4.350 0.001 0.000 0.278 343 E C -2.626 174.138 176.600 0.273 0.000 0.992 343 E CA -1.588 54.901 56.400 0.148 0.000 0.807 343 E CB 3.225 33.015 29.700 0.151 0.000 1.350 343 E HN 0.256 nan 8.360 nan 0.000 0.462 344 P HA 0.134 nan 4.420 nan 0.000 0.302 344 P C -0.748 176.621 177.300 0.116 0.000 1.307 344 P CA -0.304 62.921 63.100 0.208 0.000 0.754 344 P CB 0.828 32.579 31.700 0.084 0.000 1.298 345 S N -2.542 113.119 115.700 -0.064 0.000 2.704 345 S HA 0.536 5.006 4.470 0.001 0.000 0.296 345 S C -2.406 171.953 174.600 -0.403 0.000 1.138 345 S CA -1.459 56.615 58.200 -0.210 0.000 0.875 345 S CB 1.105 64.158 63.200 -0.244 0.000 1.151 345 S HN 0.289 nan 8.310 nan 0.000 0.500 346 P HA 0.089 nan 4.420 nan 0.000 0.263 346 P C -0.398 176.644 177.300 -0.431 0.000 1.386 346 P CA 0.159 62.920 63.100 -0.566 0.000 0.797 346 P CB -0.670 30.681 31.700 -0.581 0.000 1.381 347 D N 1.488 121.675 120.400 -0.355 0.000 2.346 347 D HA -0.033 4.608 4.640 0.001 0.000 0.267 347 D C 1.058 177.291 176.300 -0.111 0.000 1.320 347 D CA 0.119 54.046 54.000 -0.122 0.000 0.951 347 D CB 0.572 41.315 40.800 -0.095 0.000 1.079 347 D HN 0.030 nan 8.370 nan 0.000 0.509 348 K N 3.055 123.429 120.400 -0.044 0.000 2.207 348 K HA -0.213 4.107 4.320 0.001 0.000 0.208 348 K C 1.850 178.442 176.600 -0.013 0.000 1.046 348 K CA 1.203 57.478 56.287 -0.019 0.000 0.929 348 K CB 0.075 32.597 32.500 0.035 0.000 0.720 348 K HN 0.547 nan 8.250 nan 0.000 0.463 349 M N -0.094 119.512 119.600 0.009 0.000 2.134 349 M HA -0.091 4.390 4.480 0.001 0.000 0.262 349 M C 2.287 178.522 176.300 -0.107 0.000 1.076 349 M CA 0.924 56.242 55.300 0.031 0.000 1.143 349 M CB -0.851 31.852 32.600 0.171 0.000 1.346 349 M HN 0.134 nan 8.290 nan 0.000 0.421 350 L N 1.454 122.448 121.223 -0.382 0.000 1.990 350 L HA -0.240 4.100 4.340 0.001 0.000 0.213 350 L C 2.483 179.191 176.870 -0.271 0.000 1.072 350 L CA 1.996 56.417 54.840 -0.699 0.000 0.755 350 L CB -1.073 40.461 42.059 -0.875 0.000 0.889 350 L HN 0.335 nan 8.230 nan 0.000 0.432 351 Q N -0.272 119.416 119.800 -0.186 0.000 2.173 351 Q HA -0.211 4.129 4.340 0.001 0.000 0.208 351 Q C 2.101 178.087 176.000 -0.024 0.000 0.989 351 Q CA 1.862 57.608 55.803 -0.095 0.000 0.872 351 Q CB -0.980 27.703 28.738 -0.091 0.000 0.909 351 Q HN 0.725 nan 8.270 nan 0.000 0.420 352 G N 0.681 109.470 108.800 -0.019 0.000 2.403 352 G HA2 -0.223 3.738 3.960 0.001 0.000 0.216 352 G HA3 -0.223 3.738 3.960 0.001 0.000 0.216 352 G C 1.466 176.409 174.900 0.071 0.000 1.154 352 G CA 0.300 45.431 45.100 0.051 0.000 0.784 352 G HN 0.304 nan 8.290 nan 0.000 0.538 353 R N -0.001 120.504 120.500 0.008 0.000 2.189 353 R HA 0.184 4.524 4.340 0.001 0.000 0.218 353 R C 2.357 178.724 176.300 0.111 0.000 1.074 353 R CA 0.225 56.386 56.100 0.101 0.000 0.991 353 R CB -0.377 29.939 30.300 0.027 0.000 0.883 353 R HN 0.312 nan 8.270 nan 0.000 0.457 354 L N -0.035 121.222 121.223 0.057 0.000 2.127 354 L HA -0.189 4.152 4.340 0.001 0.000 0.211 354 L C 2.203 179.171 176.870 0.163 0.000 1.089 354 L CA 1.267 56.154 54.840 0.078 0.000 0.757 354 L CB -0.334 41.758 42.059 0.055 0.000 0.899 354 L HN 0.178 nan 8.230 nan 0.000 0.434 355 F N 0.379 120.357 119.950 0.047 0.000 2.243 355 F HA 0.138 4.665 4.527 0.001 0.000 0.287 355 F C 2.438 178.278 175.800 0.067 0.000 1.067 355 F CA 0.736 58.766 58.000 0.051 0.000 1.304 355 F CB -0.537 38.475 39.000 0.019 0.000 1.087 355 F HN -0.095 nan 8.300 nan 0.000 0.513 356 A N -0.096 122.420 122.820 -0.507 0.000 1.940 356 A HA -0.216 4.105 4.320 0.001 0.000 0.219 356 A C 2.066 179.373 177.584 -0.462 0.000 1.176 356 A CA 1.959 53.602 52.037 -0.657 0.000 0.631 356 A CB -1.598 17.202 19.000 -0.333 0.000 0.814 356 A HN 0.576 nan 8.150 nan 0.000 0.446 357 Y N -0.001 120.136 120.300 -0.272 0.000 2.089 357 Y HA -0.089 4.461 4.550 0.001 0.000 0.282 357 Y C -0.067 175.797 175.900 -0.061 0.000 1.139 357 Y CA 2.146 60.137 58.100 -0.182 0.000 1.123 357 Y CB -1.569 36.891 38.460 -0.001 0.000 0.980 357 Y HN 0.272 nan 8.280 nan 0.000 0.493 358 P HA -0.135 nan 4.420 nan 0.000 0.217 358 P C 0.915 178.249 177.300 0.057 0.000 1.150 358 P CA 2.040 65.299 63.100 0.265 0.000 0.832 358 P CB -0.012 31.837 31.700 0.248 0.000 0.787 359 D N -0.917 119.383 120.400 -0.166 0.000 2.120 359 D HA -0.176 4.465 4.640 0.001 0.000 0.191 359 D C 1.739 177.935 176.300 -0.174 0.000 0.994 359 D CA 2.185 56.038 54.000 -0.245 0.000 0.838 359 D CB -0.812 39.552 40.800 -0.726 0.000 0.976 359 D HN -0.009 nan 8.370 nan 0.000 0.447 360 T N -1.322 113.058 114.554 -0.290 0.000 2.720 360 T HA -0.185 4.165 4.350 0.001 0.000 0.268 360 T C 1.597 176.147 174.700 -0.250 0.000 1.037 360 T CA 1.748 63.700 62.100 -0.247 0.000 1.144 360 T CB -0.681 67.959 68.868 -0.380 0.000 0.864 360 T HN 0.353 nan 8.240 nan 0.000 0.444 361 H N 0.800 119.672 119.070 -0.330 0.000 2.353 361 H HA -0.006 4.550 4.556 0.001 0.000 0.298 361 H C 2.624 177.653 175.328 -0.498 0.000 1.103 361 H CA 1.342 57.005 56.048 -0.643 0.000 1.293 361 H CB 0.003 28.947 29.762 -1.363 0.000 1.372 361 H HN 0.213 nan 8.280 nan 0.000 0.501 362 R N -0.535 119.916 120.500 -0.081 0.000 2.127 362 R HA -0.186 4.154 4.340 0.001 0.000 0.238 362 R C 2.047 178.413 176.300 0.109 0.000 1.134 362 R CA 1.677 57.874 56.100 0.162 0.000 0.975 362 R CB -0.288 30.135 30.300 0.206 0.000 0.865 362 R HN 0.525 nan 8.270 nan 0.000 0.447 363 H N 0.515 119.559 119.070 -0.043 0.000 2.329 363 H HA 0.077 4.634 4.556 0.001 0.000 0.306 363 H C 2.194 177.495 175.328 -0.045 0.000 1.062 363 H CA 1.199 57.225 56.048 -0.037 0.000 1.364 363 H CB 0.069 29.797 29.762 -0.057 0.000 1.409 363 H HN -0.087 nan 8.280 nan 0.000 0.519 364 R N -0.220 120.086 120.500 -0.324 0.000 2.081 364 R HA -0.048 4.293 4.340 0.001 0.000 0.235 364 R C 1.858 178.033 176.300 -0.208 0.000 1.131 364 R CA 1.910 57.803 56.100 -0.345 0.000 0.960 364 R CB 0.002 30.177 30.300 -0.208 0.000 0.856 364 R HN 0.411 nan 8.270 nan 0.000 0.436 365 L N -1.903 119.242 121.223 -0.130 0.000 2.388 365 L HA 0.352 4.693 4.340 0.001 0.000 0.209 365 L C 0.837 177.721 176.870 0.024 0.000 1.061 365 L CA 0.283 55.096 54.840 -0.045 0.000 0.834 365 L CB 0.457 42.508 42.059 -0.014 0.000 1.029 365 L HN 0.403 nan 8.230 nan 0.000 0.473 366 G N -0.777 108.061 108.800 0.064 0.000 2.362 366 G HA2 -0.044 3.917 3.960 0.001 0.000 0.656 366 G HA3 -0.044 3.917 3.960 0.001 0.000 0.656 366 G C -2.691 172.333 174.900 0.207 0.000 1.376 366 G CA -0.741 44.421 45.100 0.104 0.000 0.971 366 G HN -0.243 nan 8.290 nan 0.000 0.636 367 P HA -0.105 nan 4.420 nan 0.000 0.216 367 P C 1.154 178.512 177.300 0.096 0.000 1.157 367 P CA 1.316 64.507 63.100 0.153 0.000 0.880 367 P CB 0.098 31.850 31.700 0.087 0.000 0.791 368 N N -0.786 117.942 118.700 0.046 0.000 2.410 368 N HA -0.016 4.725 4.740 0.001 0.000 0.231 368 N C 1.027 176.505 175.510 -0.054 0.000 1.172 368 N CA -0.009 53.016 53.050 -0.041 0.000 0.849 368 N CB -0.583 37.892 38.487 -0.020 0.000 1.116 368 N HN 0.390 nan 8.380 nan 0.000 0.485 369 Y N -0.937 119.351 120.300 -0.019 0.000 2.333 369 Y HA 0.022 4.572 4.550 0.001 0.000 0.290 369 Y C 1.641 177.499 175.900 -0.069 0.000 1.144 369 Y CA 0.722 58.797 58.100 -0.042 0.000 1.228 369 Y CB -0.535 37.905 38.460 -0.034 0.000 0.985 369 Y HN 0.001 nan 8.280 nan 0.000 0.542 370 L N 0.459 121.237 121.223 -0.742 0.000 2.549 370 L HA -0.109 4.232 4.340 0.001 0.000 0.229 370 L C 2.140 178.891 176.870 -0.197 0.000 1.158 370 L CA 0.975 55.535 54.840 -0.466 0.000 0.842 370 L CB -0.424 41.312 42.059 -0.538 0.000 0.952 370 L HN 0.383 nan 8.230 nan 0.000 0.452 371 Q N -0.322 119.388 119.800 -0.149 0.000 2.424 371 Q HA 0.126 4.467 4.340 0.001 0.000 0.204 371 Q C 0.520 176.498 176.000 -0.036 0.000 0.933 371 Q CA -0.041 55.716 55.803 -0.075 0.000 0.929 371 Q CB 0.451 29.152 28.738 -0.062 0.000 1.037 371 Q HN 0.452 nan 8.270 nan 0.000 0.511 372 I N 2.201 122.757 120.570 -0.023 0.000 2.598 372 I HA -0.057 4.113 4.170 0.001 0.000 0.284 372 I C -1.586 174.523 176.117 -0.014 0.000 1.140 372 I CA -1.462 59.831 61.300 -0.012 0.000 1.420 372 I CB 0.691 38.687 38.000 -0.006 0.000 1.387 372 I HN -0.017 nan 8.210 nan 0.000 0.553 373 P HA -0.266 nan 4.420 nan 0.000 0.219 373 P C 1.669 178.955 177.300 -0.023 0.000 1.159 373 P CA 1.484 64.554 63.100 -0.049 0.000 0.944 373 P CB -0.059 31.590 31.700 -0.085 0.000 0.792 374 V N -0.514 119.386 119.914 -0.024 0.000 2.380 374 V HA -0.247 3.874 4.120 0.001 0.000 0.251 374 V C 1.905 178.081 176.094 0.138 0.000 1.063 374 V CA 2.239 64.564 62.300 0.042 0.000 1.055 374 V CB -1.285 30.571 31.823 0.054 0.000 0.657 374 V HN 0.190 nan 8.190 nan 0.000 0.455 375 N N -0.790 117.944 118.700 0.057 0.000 2.392 375 N HA 0.033 4.773 4.740 0.001 0.000 0.177 375 N C 0.898 176.450 175.510 0.070 0.000 1.066 375 N CA 0.584 53.649 53.050 0.025 0.000 0.895 375 N CB -0.042 38.432 38.487 -0.021 0.000 0.988 375 N HN 0.559 nan 8.380 nan 0.000 0.457 376 C N 4.761 124.122 119.300 0.103 0.000 2.648 376 C HA 0.168 4.628 4.460 0.001 0.000 0.419 376 C C -1.948 173.188 174.990 0.242 0.000 1.352 376 C CA -1.234 57.845 59.018 0.103 0.000 1.816 376 C CB -0.032 27.750 27.740 0.071 0.000 2.598 376 C HN 0.210 nan 8.230 nan 0.000 0.598 377 P HA 0.117 nan 4.420 nan 0.000 0.244 377 P C -0.099 177.247 177.300 0.077 0.000 1.769 377 P CA 0.014 63.179 63.100 0.108 0.000 1.102 377 P CB -0.747 30.948 31.700 -0.008 0.000 1.937 378 Y N 0.479 120.827 120.300 0.081 0.000 2.716 378 Y HA 0.052 4.603 4.550 0.001 0.000 0.302 378 Y C 1.116 177.019 175.900 0.005 0.000 1.160 378 Y CA 0.166 58.267 58.100 0.003 0.000 1.362 378 Y CB -0.539 37.884 38.460 -0.062 0.000 0.988 378 Y HN 0.025 nan 8.280 nan 0.000 0.546 379 R N 0.890 121.248 120.500 -0.237 0.000 2.700 379 R HA 0.656 4.996 4.340 0.001 0.000 0.377 379 R C -0.542 175.707 176.300 -0.086 0.000 1.130 379 R CA 0.326 56.330 56.100 -0.160 0.000 1.055 379 R CB 0.592 30.741 30.300 -0.252 0.000 1.387 379 R HN 0.326 nan 8.270 nan 0.000 0.580 380 A N 0.791 123.578 122.820 -0.056 0.000 2.572 380 A HA 0.559 4.880 4.320 0.001 0.000 0.295 380 A C -1.156 176.407 177.584 -0.035 0.000 1.072 380 A CA -0.825 51.184 52.037 -0.048 0.000 0.691 380 A CB 1.628 20.594 19.000 -0.057 0.000 1.291 380 A HN 0.161 nan 8.150 nan 0.000 0.404 381 R N 1.296 121.771 120.500 -0.042 0.000 2.565 381 R HA 0.405 4.746 4.340 0.001 0.000 0.286 381 R C -0.901 175.363 176.300 -0.060 0.000 1.256 381 R CA -0.293 55.781 56.100 -0.044 0.000 1.238 381 R CB 0.117 30.390 30.300 -0.044 0.000 1.153 381 R HN 0.662 nan 8.270 nan 0.000 0.553 382 V N 3.985 123.864 119.914 -0.059 0.000 2.403 382 V HA 0.546 4.667 4.120 0.001 0.000 0.265 382 V C -0.600 175.435 176.094 -0.099 0.000 1.034 382 V CA 0.453 62.707 62.300 -0.077 0.000 1.036 382 V CB 0.184 31.965 31.823 -0.070 0.000 1.032 382 V HN 0.801 nan 8.190 nan 0.000 0.478 383 A N 5.856 128.599 122.820 -0.129 0.000 2.398 383 A HA 0.921 5.241 4.320 0.001 0.000 0.301 383 A C -0.519 176.906 177.584 -0.264 0.000 1.041 383 A CA -0.379 51.550 52.037 -0.180 0.000 0.711 383 A CB 1.622 20.522 19.000 -0.166 0.000 1.240 383 A HN 1.138 nan 8.150 nan 0.000 0.420 384 N N -0.478 118.003 118.700 -0.365 0.000 3.505 384 N HA 0.227 4.968 4.740 0.001 0.000 0.349 384 N C -1.128 173.957 175.510 -0.708 0.000 1.491 384 N CA -0.555 52.173 53.050 -0.537 0.000 0.859 384 N CB 0.135 38.470 38.487 -0.253 0.000 2.068 384 N HN 0.255 nan 8.380 nan 0.000 0.500 385 Y N -0.302 119.961 120.300 -0.062 0.000 2.751 385 Y HA 0.452 5.002 4.550 0.001 0.000 0.289 385 Y C -0.259 175.642 175.900 0.002 0.000 1.110 385 Y CA -0.367 57.723 58.100 -0.016 0.000 1.251 385 Y CB 0.161 38.629 38.460 0.013 0.000 1.178 385 Y HN 0.224 nan 8.280 nan 0.000 0.540 386 Q N 1.256 121.077 119.800 0.035 0.000 2.293 386 Q HA 0.605 4.946 4.340 0.001 0.000 0.261 386 Q C -0.231 175.778 176.000 0.014 0.000 0.960 386 Q CA -0.762 55.061 55.803 0.033 0.000 0.882 386 Q CB 1.893 30.630 28.738 -0.002 0.000 1.275 386 Q HN 0.202 nan 8.270 nan 0.000 0.445 387 R N 1.876 122.394 120.500 0.030 0.000 2.836 387 R HA 0.400 4.741 4.340 0.001 0.000 0.269 387 R C -0.696 175.615 176.300 0.018 0.000 1.010 387 R CA -0.654 55.458 56.100 0.020 0.000 0.930 387 R CB 1.368 31.690 30.300 0.036 0.000 1.218 387 R HN 0.695 nan 8.270 nan 0.000 0.473 388 D N -0.098 120.309 120.400 0.011 0.000 3.624 388 D HA -0.195 4.445 4.640 0.001 0.000 0.176 388 D C 0.312 176.619 176.300 0.011 0.000 1.162 388 D CA 2.025 56.033 54.000 0.013 0.000 1.089 388 D CB -1.210 39.602 40.800 0.020 0.000 0.579 388 D HN 0.967 nan 8.370 nan 0.000 0.658 389 G N -0.875 107.937 108.800 0.019 0.000 2.705 389 G HA2 0.165 4.126 3.960 0.001 0.000 0.686 389 G HA3 0.165 4.126 3.960 0.001 0.000 0.686 389 G C -2.807 172.106 174.900 0.023 0.000 1.285 389 G CA -0.351 44.763 45.100 0.023 0.000 0.800 389 G HN 0.561 nan 8.290 nan 0.000 0.611 390 P HA 0.265 nan 4.420 nan 0.000 0.265 390 P C 0.871 178.187 177.300 0.027 0.000 1.193 390 P CA 0.369 63.486 63.100 0.029 0.000 0.765 390 P CB 0.713 32.434 31.700 0.035 0.000 0.823 391 M N -0.684 118.931 119.600 0.024 0.000 2.537 391 M HA -0.161 4.320 4.480 0.001 0.000 0.205 391 M C -0.062 176.247 176.300 0.015 0.000 0.450 391 M CA 0.114 55.428 55.300 0.023 0.000 0.553 391 M CB -2.566 30.053 32.600 0.031 0.000 2.046 391 M HN 0.478 nan 8.290 nan 0.000 0.797 392 C N 1.691 120.997 119.300 0.011 0.000 2.616 392 C HA 0.197 4.658 4.460 0.001 0.000 0.402 392 C C 1.294 176.283 174.990 -0.001 0.000 1.436 392 C CA -0.064 58.955 59.018 0.002 0.000 1.521 392 C CB -0.545 27.196 27.740 0.002 0.000 2.413 392 C HN 0.523 nan 8.230 nan 0.000 0.617 393 M N 6.190 125.786 119.600 -0.007 0.000 2.066 393 M HA 0.549 5.030 4.480 0.001 0.000 0.203 393 M C 0.857 177.149 176.300 -0.013 0.000 1.145 393 M CA 0.325 55.620 55.300 -0.008 0.000 1.084 393 M CB 0.074 32.669 32.600 -0.009 0.000 1.177 393 M HN 0.779 nan 8.290 nan 0.000 0.588 394 M N -0.441 119.150 119.600 -0.015 0.000 7.319 394 M HA -0.329 4.152 4.480 0.001 0.000 0.173 394 M C 0.378 176.669 176.300 -0.015 0.000 0.480 394 M CA 1.532 56.821 55.300 -0.018 0.000 1.311 394 M CB -1.769 30.817 32.600 -0.024 0.000 0.421 394 M HN 0.863 nan 8.290 nan 0.000 0.185 395 D N 0.635 121.024 120.400 -0.017 0.000 2.363 395 D HA 0.102 4.742 4.640 0.001 0.000 0.214 395 D C 0.436 176.727 176.300 -0.015 0.000 1.093 395 D CA 0.585 54.576 54.000 -0.014 0.000 0.837 395 D CB 0.015 40.803 40.800 -0.019 0.000 0.948 395 D HN 0.649 nan 8.370 nan 0.000 0.507 396 N N 1.397 120.085 118.700 -0.019 0.000 2.740 396 N HA -0.238 4.503 4.740 0.001 0.000 0.248 396 N C -0.602 174.893 175.510 -0.025 0.000 1.062 396 N CA 0.435 53.474 53.050 -0.020 0.000 0.704 396 N CB -0.654 37.827 38.487 -0.010 0.000 0.968 396 N HN 0.328 nan 8.380 nan 0.000 0.547 397 Q N -2.840 116.939 119.800 -0.034 0.000 2.480 397 Q HA -0.271 4.069 4.340 0.001 0.000 0.265 397 Q C 1.059 177.040 176.000 -0.032 0.000 1.072 397 Q CA 1.035 56.812 55.803 -0.044 0.000 1.018 397 Q CB -1.849 26.850 28.738 -0.066 0.000 1.433 397 Q HN 0.921 nan 8.270 nan 0.000 0.513 398 G N -0.675 108.112 108.800 -0.021 0.000 2.581 398 G HA2 -0.315 3.646 3.960 0.001 0.000 0.291 398 G HA3 -0.315 3.646 3.960 0.001 0.000 0.291 398 G C 0.424 175.320 174.900 -0.007 0.000 1.277 398 G CA 0.128 45.220 45.100 -0.013 0.000 0.959 398 G HN 0.885 nan 8.290 nan 0.000 0.554 399 G N 0.144 108.942 108.800 -0.005 0.000 3.591 399 G HA2 0.691 4.651 3.960 0.001 0.000 0.282 399 G HA3 0.691 4.651 3.960 0.001 0.000 0.282 399 G C 0.523 175.422 174.900 -0.000 0.000 1.238 399 G CA 1.239 46.338 45.100 -0.001 0.000 0.993 399 G HN 1.677 nan 8.290 nan 0.000 0.542 400 A N 0.906 123.725 122.820 -0.002 0.000 2.351 400 A HA 0.652 4.972 4.320 0.001 0.000 0.257 400 A C -1.961 175.635 177.584 0.021 0.000 1.087 400 A CA -1.045 50.993 52.037 0.002 0.000 0.798 400 A CB 0.214 19.201 19.000 -0.022 0.000 1.033 400 A HN 0.223 nan 8.150 nan 0.000 0.488 401 P HA -0.011 nan 4.420 nan 0.000 0.261 401 P C 0.165 177.542 177.300 0.128 0.000 1.173 401 P CA 0.545 63.660 63.100 0.024 0.000 0.760 401 P CB 0.208 31.896 31.700 -0.020 0.000 0.783 402 N N 1.601 120.427 118.700 0.210 0.000 2.205 402 N HA 0.012 4.753 4.740 0.001 0.000 0.201 402 N C -0.441 175.303 175.510 0.390 0.000 1.128 402 N CA -0.490 52.760 53.050 0.333 0.000 0.867 402 N CB 0.067 38.693 38.487 0.231 0.000 0.996 402 N HN 0.366 nan 8.380 nan 0.000 0.503 403 Y N -1.453 118.904 120.300 0.095 0.000 2.485 403 Y HA 0.649 5.200 4.550 0.001 0.000 0.345 403 Y C -1.450 174.174 175.900 -0.461 0.000 0.998 403 Y CA -2.051 55.965 58.100 -0.141 0.000 1.059 403 Y CB 0.610 39.036 38.460 -0.056 0.000 1.234 403 Y HN -0.055 nan 8.280 nan 0.000 0.461 404 Y N 4.558 124.413 120.300 -0.742 0.000 2.361 404 Y HA 0.704 5.254 4.550 0.001 0.000 0.337 404 Y C -2.655 173.109 175.900 -0.227 0.000 0.965 404 Y CA -3.022 54.629 58.100 -0.747 0.000 1.091 404 Y CB 1.590 39.415 38.460 -1.058 0.000 1.182 404 Y HN 0.754 nan 8.280 nan 0.000 0.450 405 P HA 0.391 nan 4.420 nan 0.000 0.278 405 P C -1.770 175.424 177.300 -0.176 0.000 1.258 405 P CA -0.467 62.319 63.100 -0.524 0.000 0.811 405 P CB 1.686 33.074 31.700 -0.519 0.000 1.063 406 N N -2.207 116.413 118.700 -0.133 0.000 2.525 406 N HA 0.342 5.082 4.740 0.001 0.000 0.270 406 N C -0.792 174.751 175.510 0.054 0.000 1.321 406 N CA -0.903 52.107 53.050 -0.066 0.000 0.797 406 N CB 0.929 39.132 38.487 -0.473 0.000 1.529 406 N HN 0.063 nan 8.380 nan 0.000 0.491 407 S N -0.048 115.726 115.700 0.124 0.000 2.506 407 S HA 0.329 4.800 4.470 0.001 0.000 0.245 407 S C -0.876 173.378 174.600 -0.576 0.000 1.088 407 S CA -0.439 57.639 58.200 -0.203 0.000 1.099 407 S CB -0.955 62.066 63.200 -0.297 0.000 0.805 407 S HN 0.526 nan 8.310 nan 0.000 0.461 408 F N 0.583 120.533 119.950 0.001 0.000 2.810 408 F HA 0.280 4.807 4.527 0.001 0.000 0.353 408 F C 0.958 176.761 175.800 0.005 0.000 1.227 408 F CA -0.540 57.466 58.000 0.010 0.000 1.210 408 F CB 0.039 39.052 39.000 0.022 0.000 1.039 408 F HN 0.047 nan 8.300 nan 0.000 0.509 409 S N 0.458 116.209 115.700 0.086 0.000 3.561 409 S HA -0.196 4.274 4.470 0.001 0.000 0.318 409 S C 0.688 175.334 174.600 0.076 0.000 1.181 409 S CA 0.302 58.539 58.200 0.062 0.000 0.916 409 S CB -1.576 61.650 63.200 0.042 0.000 0.966 409 S HN 0.603 nan 8.310 nan 0.000 0.550 410 A N 1.231 124.122 122.820 0.119 0.000 2.296 410 A HA 0.608 4.929 4.320 0.001 0.000 0.264 410 A C -1.890 175.744 177.584 0.085 0.000 1.097 410 A CA -1.297 50.802 52.037 0.103 0.000 0.811 410 A CB -0.316 18.818 19.000 0.223 0.000 1.072 410 A HN 0.215 nan 8.150 nan 0.000 0.495 411 P HA 0.131 nan 4.420 nan 0.000 0.261 411 P C -0.669 176.625 177.300 -0.010 0.000 1.165 411 P CA 0.792 63.831 63.100 -0.101 0.000 0.759 411 P CB 0.248 31.768 31.700 -0.300 0.000 0.772 412 E N 1.439 121.626 120.200 -0.021 0.000 2.239 412 E HA 0.397 4.748 4.350 0.001 0.000 0.261 412 E C -0.161 176.415 176.600 -0.040 0.000 1.016 412 E CA -0.665 55.728 56.400 -0.012 0.000 0.882 412 E CB 0.191 29.850 29.700 -0.068 0.000 1.190 412 E HN 0.542 nan 8.360 nan 0.000 0.415 413 H N -1.380 117.728 119.070 0.064 0.000 2.481 413 H HA 0.319 4.876 4.556 0.001 0.000 0.339 413 H C -0.597 174.747 175.328 0.026 0.000 1.131 413 H CA -0.901 55.163 56.048 0.027 0.000 1.301 413 H CB 0.714 30.525 29.762 0.082 0.000 1.476 413 H HN 0.363 nan 8.280 nan 0.000 0.529 414 Q N 4.097 124.028 119.800 0.219 0.000 2.509 414 Q HA 0.191 4.532 4.340 0.001 0.000 0.230 414 Q C -1.824 174.268 176.000 0.153 0.000 1.089 414 Q CA -2.244 53.643 55.803 0.140 0.000 0.901 414 Q CB 0.814 29.582 28.738 0.051 0.000 1.208 414 Q HN 0.643 nan 8.270 nan 0.000 0.529 415 P HA -0.112 nan 4.420 nan 0.000 0.231 415 P C 0.281 177.616 177.300 0.057 0.000 1.154 415 P CA 0.861 64.031 63.100 0.116 0.000 0.762 415 P CB 0.397 32.187 31.700 0.150 0.000 0.790 416 S N -0.670 115.061 115.700 0.051 0.000 2.593 416 S HA 0.230 4.700 4.470 0.001 0.000 0.217 416 S C 1.693 176.302 174.600 0.015 0.000 0.966 416 S CA 0.494 58.710 58.200 0.027 0.000 0.914 416 S CB -0.028 63.185 63.200 0.023 0.000 0.776 416 S HN 0.249 nan 8.310 nan 0.000 0.523 417 A N 0.627 123.456 122.820 0.015 0.000 2.508 417 A HA 0.467 4.788 4.320 0.001 0.000 0.257 417 A C 0.417 178.004 177.584 0.005 0.000 1.226 417 A CA -0.396 51.641 52.037 0.001 0.000 0.947 417 A CB 0.005 18.999 19.000 -0.010 0.000 1.079 417 A HN 0.370 nan 8.150 nan 0.000 0.531 418 L N 1.818 123.046 121.223 0.009 0.000 2.540 418 L HA 0.030 4.371 4.340 0.001 0.000 0.276 418 L C 0.049 176.934 176.870 0.024 0.000 1.212 418 L CA -0.348 54.494 54.840 0.003 0.000 0.893 418 L CB 0.376 42.430 42.059 -0.008 0.000 1.138 418 L HN 0.366 nan 8.230 nan 0.000 0.491 419 E N 2.396 122.613 120.200 0.029 0.000 2.467 419 E HA -0.081 4.270 4.350 0.001 0.000 0.264 419 E C 0.077 176.730 176.600 0.089 0.000 1.020 419 E CA 0.221 56.660 56.400 0.065 0.000 0.945 419 E CB 0.110 29.844 29.700 0.057 0.000 0.942 419 E HN 0.304 nan 8.360 nan 0.000 0.449 420 H N 3.376 122.479 119.070 0.055 0.000 2.929 420 H HA 0.011 4.567 4.556 0.001 0.000 0.317 420 H C -0.080 175.297 175.328 0.082 0.000 1.031 420 H CA -0.160 55.925 56.048 0.060 0.000 1.466 420 H CB 0.490 30.298 29.762 0.076 0.000 1.482 420 H HN 0.410 nan 8.280 nan 0.000 0.561 421 R N 5.130 125.280 120.500 -0.583 0.000 2.309 421 R HA 0.109 4.450 4.340 0.001 0.000 0.331 421 R C -0.819 175.225 176.300 -0.427 0.000 1.116 421 R CA -0.163 55.712 56.100 -0.375 0.000 0.970 421 R CB 0.068 30.225 30.300 -0.238 0.000 1.024 421 R HN 0.562 nan 8.270 nan 0.000 0.472 422 T N 2.835 117.372 114.554 -0.028 0.000 2.948 422 T HA 0.211 4.561 4.350 0.001 0.000 0.285 422 T C -1.012 173.783 174.700 0.158 0.000 1.019 422 T CA -0.517 61.665 62.100 0.137 0.000 1.013 422 T CB 1.177 70.276 68.868 0.386 0.000 1.117 422 T HN 0.634 nan 8.240 nan 0.000 0.533 423 H N 0.076 119.096 119.070 -0.083 0.000 2.589 423 H HA 0.555 5.111 4.556 0.001 0.000 0.335 423 H C -1.697 173.482 175.328 -0.248 0.000 1.019 423 H CA -0.754 55.263 56.048 -0.052 0.000 1.213 423 H CB 0.280 30.011 29.762 -0.052 0.000 1.472 423 H HN 0.367 nan 8.280 nan 0.000 0.508 424 F N 2.782 122.536 119.950 -0.327 0.000 2.507 424 F HA 0.435 4.962 4.527 0.001 0.000 0.325 424 F C 0.094 175.726 175.800 -0.280 0.000 1.116 424 F CA -0.606 57.288 58.000 -0.177 0.000 0.930 424 F CB 2.198 41.142 39.000 -0.093 0.000 1.146 424 F HN 0.416 nan 8.300 nan 0.000 0.447 425 S N 1.945 117.671 115.700 0.045 0.000 2.513 425 S HA 0.921 5.391 4.470 0.001 0.000 0.299 425 S C -0.434 174.217 174.600 0.085 0.000 1.087 425 S CA 0.044 58.277 58.200 0.055 0.000 1.012 425 S CB 1.500 64.781 63.200 0.134 0.000 1.044 425 S HN 1.350 nan 8.310 nan 0.000 0.485 426 G N 3.337 112.186 108.800 0.082 0.000 2.335 426 G HA2 0.168 4.128 3.960 0.001 0.000 0.592 426 G HA3 0.168 4.128 3.960 0.001 0.000 0.592 426 G C -1.819 173.159 174.900 0.129 0.000 1.442 426 G CA -0.922 44.236 45.100 0.096 0.000 0.976 426 G HN 0.721 nan 8.290 nan 0.000 0.652 427 D N -0.934 119.572 120.400 0.177 0.000 2.361 427 D HA 0.384 5.025 4.640 0.001 0.000 0.239 427 D C 1.084 177.525 176.300 0.236 0.000 1.200 427 D CA 0.485 54.592 54.000 0.178 0.000 0.915 427 D CB 1.235 42.135 40.800 0.166 0.000 1.170 427 D HN 1.108 nan 8.370 nan 0.000 0.444 428 V N -1.368 118.619 119.914 0.123 0.000 2.364 428 V HA 0.528 4.649 4.120 0.001 0.000 0.272 428 V C -0.469 175.605 176.094 -0.035 0.000 1.036 428 V CA -0.303 62.049 62.300 0.087 0.000 0.880 428 V CB 0.141 31.980 31.823 0.027 0.000 0.991 428 V HN 0.481 nan 8.190 nan 0.000 0.460 429 Q N 3.356 123.043 119.800 -0.188 0.000 2.685 429 Q HA 0.522 4.862 4.340 0.001 0.000 0.301 429 Q C -1.138 174.469 176.000 -0.655 0.000 0.924 429 Q CA -1.032 54.461 55.803 -0.518 0.000 0.755 429 Q CB 2.485 30.749 28.738 -0.789 0.000 1.470 429 Q HN 0.722 nan 8.270 nan 0.000 0.434 430 R N 1.079 121.271 120.500 -0.513 0.000 2.296 430 R HA 0.302 4.643 4.340 0.001 0.000 0.327 430 R C -1.063 175.023 176.300 -0.357 0.000 1.137 430 R CA -0.157 55.761 56.100 -0.304 0.000 1.020 430 R CB 0.009 30.220 30.300 -0.149 0.000 1.110 430 R HN 0.274 nan 8.270 nan 0.000 0.499 431 F N 1.708 121.674 119.950 0.027 0.000 2.421 431 F HA 0.094 4.622 4.527 0.001 0.000 0.358 431 F C 1.169 176.993 175.800 0.040 0.000 1.115 431 F CA -0.816 57.205 58.000 0.036 0.000 1.160 431 F CB 0.357 39.382 39.000 0.043 0.000 1.123 431 F HN 0.293 nan 8.300 nan 0.000 0.508 432 N N 1.949 120.761 118.700 0.187 0.000 2.406 432 N HA -0.063 4.677 4.740 0.001 0.000 0.274 432 N C 0.742 176.330 175.510 0.130 0.000 1.249 432 N CA 0.191 53.318 53.050 0.127 0.000 0.951 432 N CB 0.646 39.188 38.487 0.091 0.000 1.241 432 N HN 0.622 nan 8.380 nan 0.000 0.485 433 S N 2.185 117.955 115.700 0.117 0.000 2.556 433 S HA 0.135 4.605 4.470 0.001 0.000 0.216 433 S C 1.668 176.312 174.600 0.074 0.000 0.970 433 S CA 0.098 58.360 58.200 0.102 0.000 0.912 433 S CB 0.140 63.403 63.200 0.105 0.000 0.790 433 S HN 0.474 nan 8.310 nan 0.000 0.504 434 A N 2.804 125.664 122.820 0.065 0.000 2.024 434 A HA -0.066 4.254 4.320 0.001 0.000 0.220 434 A C 1.669 179.272 177.584 0.032 0.000 1.164 434 A CA 1.414 53.477 52.037 0.042 0.000 0.643 434 A CB -0.731 18.291 19.000 0.038 0.000 0.806 434 A HN 0.774 nan 8.150 nan 0.000 0.451 435 N N -0.103 118.624 118.700 0.045 0.000 2.273 435 N HA 0.077 4.818 4.740 0.001 0.000 0.231 435 N C -0.964 174.577 175.510 0.051 0.000 1.134 435 N CA -0.181 52.894 53.050 0.041 0.000 0.856 435 N CB 0.330 38.844 38.487 0.046 0.000 1.068 435 N HN 0.204 nan 8.380 nan 0.000 0.510 436 D N 2.048 122.480 120.400 0.053 0.000 2.941 436 D HA -0.027 4.613 4.640 0.001 0.000 0.236 436 D C -0.338 175.987 176.300 0.043 0.000 1.147 436 D CA 0.585 54.627 54.000 0.069 0.000 0.975 436 D CB -0.652 40.194 40.800 0.077 0.000 1.162 436 D HN 0.145 nan 8.370 nan 0.000 0.444 437 D N 1.592 122.021 120.400 0.049 0.000 4.543 437 D HA -0.178 4.463 4.640 0.001 0.000 0.236 437 D C -0.394 175.868 176.300 -0.062 0.000 1.047 437 D CA 0.369 54.385 54.000 0.026 0.000 1.254 437 D CB -0.204 40.666 40.800 0.116 0.000 0.762 437 D HN 0.347 nan 8.370 nan 0.000 0.381 438 N N 2.555 121.231 118.700 -0.041 0.000 2.275 438 N HA 0.085 4.825 4.740 0.001 0.000 0.236 438 N C 1.312 176.793 175.510 -0.048 0.000 1.154 438 N CA 0.464 53.479 53.050 -0.059 0.000 0.866 438 N CB 0.927 39.383 38.487 -0.053 0.000 1.093 438 N HN 0.353 nan 8.380 nan 0.000 0.515 439 V N -3.874 116.018 119.914 -0.036 0.000 3.159 439 V HA 0.109 4.229 4.120 0.001 0.000 0.234 439 V C 1.996 178.082 176.094 -0.014 0.000 1.313 439 V CA 0.343 62.635 62.300 -0.013 0.000 1.271 439 V CB -0.504 31.330 31.823 0.018 0.000 1.053 439 V HN -0.074 nan 8.190 nan 0.000 0.476 440 T N 1.194 115.753 114.554 0.009 0.000 2.531 440 T HA -0.364 3.987 4.350 0.001 0.000 0.261 440 T C 1.910 176.623 174.700 0.022 0.000 1.141 440 T CA 2.971 65.105 62.100 0.058 0.000 1.176 440 T CB -0.629 68.361 68.868 0.204 0.000 0.863 440 T HN 0.584 nan 8.240 nan 0.000 0.424 441 Q N 0.203 119.976 119.800 -0.045 0.000 2.291 441 Q HA -0.072 4.269 4.340 0.001 0.000 0.206 441 Q C 2.569 178.465 176.000 -0.175 0.000 0.976 441 Q CA 0.968 56.750 55.803 -0.034 0.000 0.875 441 Q CB -0.395 28.345 28.738 0.004 0.000 0.927 441 Q HN 0.430 nan 8.270 nan 0.000 0.450 442 V N 0.600 120.385 119.914 -0.216 0.000 2.307 442 V HA -0.259 3.862 4.120 0.001 0.000 0.245 442 V C 2.333 178.413 176.094 -0.023 0.000 1.045 442 V CA 1.927 64.082 62.300 -0.242 0.000 1.024 442 V CB -0.607 31.149 31.823 -0.111 0.000 0.651 442 V HN 0.310 nan 8.190 nan 0.000 0.449 443 R N 0.856 121.356 120.500 0.001 0.000 2.070 443 R HA -0.184 4.156 4.340 0.001 0.000 0.233 443 R C 2.367 178.689 176.300 0.037 0.000 1.137 443 R CA 2.213 58.331 56.100 0.029 0.000 0.945 443 R CB -0.660 29.641 30.300 0.001 0.000 0.845 443 R HN 0.680 nan 8.270 nan 0.000 0.430 444 T N -1.597 112.976 114.554 0.030 0.000 3.139 444 T HA -0.138 4.212 4.350 0.001 0.000 0.267 444 T C 1.293 176.033 174.700 0.067 0.000 1.164 444 T CA 0.842 62.962 62.100 0.033 0.000 1.075 444 T CB -0.272 68.630 68.868 0.056 0.000 0.904 444 T HN 0.355 nan 8.240 nan 0.000 0.540 445 F N -0.146 119.766 119.950 -0.065 0.000 2.500 445 F HA 0.277 4.805 4.527 0.001 0.000 0.285 445 F C 1.823 177.624 175.800 0.001 0.000 1.088 445 F CA -0.845 57.127 58.000 -0.047 0.000 1.432 445 F CB -0.152 38.771 39.000 -0.130 0.000 1.131 445 F HN 0.064 nan 8.300 nan 0.000 0.582 446 Y N 2.394 122.561 120.300 -0.222 0.000 2.090 446 Y HA 0.013 4.564 4.550 0.001 0.000 0.274 446 Y C 0.893 176.625 175.900 -0.280 0.000 1.110 446 Y CA 1.853 59.754 58.100 -0.332 0.000 1.092 446 Y CB -0.908 37.349 38.460 -0.338 0.000 0.992 446 Y HN 0.008 nan 8.280 nan 0.000 0.479 447 L N 0.234 121.324 121.223 -0.223 0.000 2.466 447 L HA 0.456 4.797 4.340 0.001 0.000 0.248 447 L C 0.196 176.955 176.870 -0.186 0.000 1.240 447 L CA 0.120 54.789 54.840 -0.285 0.000 1.180 447 L CB 0.372 42.304 42.059 -0.212 0.000 1.413 447 L HN 0.245 nan 8.230 nan 0.000 0.406 448 K N 0.395 120.672 120.400 -0.204 0.000 2.159 448 K HA 0.044 4.365 4.320 0.001 0.000 0.154 448 K C 1.010 177.520 176.600 -0.150 0.000 2.479 448 K CA 0.874 57.080 56.287 -0.136 0.000 1.260 448 K CB -0.374 32.080 32.500 -0.076 0.000 2.751 448 K HN 0.092 nan 8.250 nan 0.000 0.414 449 V N 1.725 121.505 119.914 -0.222 0.000 2.446 449 V HA 0.243 4.364 4.120 0.001 0.000 0.244 449 V C 1.292 177.209 176.094 -0.296 0.000 1.039 449 V CA 0.786 62.949 62.300 -0.228 0.000 1.045 449 V CB -0.145 31.531 31.823 -0.245 0.000 0.681 449 V HN 0.155 nan 8.190 nan 0.000 0.459 450 L N 1.619 122.574 121.223 -0.447 0.000 2.399 450 L HA 0.322 4.662 4.340 0.001 0.000 0.266 450 L C 0.029 176.748 176.870 -0.252 0.000 1.114 450 L CA -0.339 54.288 54.840 -0.355 0.000 0.804 450 L CB 1.217 42.985 42.059 -0.485 0.000 1.146 450 L HN 0.476 nan 8.230 nan 0.000 0.451 451 N N -0.158 118.436 118.700 -0.176 0.000 2.456 451 N HA 0.087 4.828 4.740 0.001 0.000 0.296 451 N C 0.385 175.809 175.510 -0.144 0.000 1.102 451 N CA -0.690 52.274 53.050 -0.143 0.000 0.924 451 N CB 1.024 39.456 38.487 -0.092 0.000 1.186 451 N HN 0.463 nan 8.380 nan 0.000 0.492 452 E N 0.496 120.611 120.200 -0.140 0.000 2.200 452 E HA -0.340 4.011 4.350 0.001 0.000 0.211 452 E C 1.105 177.656 176.600 -0.081 0.000 1.048 452 E CA 1.623 57.949 56.400 -0.123 0.000 0.851 452 E CB -0.150 29.495 29.700 -0.091 0.000 0.747 452 E HN 0.698 nan 8.360 nan 0.000 0.462 453 E N 0.163 120.325 120.200 -0.063 0.000 2.005 453 E HA -0.222 4.128 4.350 0.001 0.000 0.198 453 E C 2.058 178.641 176.600 -0.029 0.000 1.010 453 E CA 1.896 58.273 56.400 -0.039 0.000 0.825 453 E CB -0.420 29.259 29.700 -0.034 0.000 0.769 453 E HN 0.718 nan 8.360 nan 0.000 0.456 454 Q N 0.023 119.800 119.800 -0.039 0.000 2.488 454 Q HA -0.064 4.277 4.340 0.001 0.000 0.211 454 Q C 2.054 178.047 176.000 -0.013 0.000 0.967 454 Q CA 0.686 56.477 55.803 -0.021 0.000 0.926 454 Q CB -0.148 28.570 28.738 -0.034 0.000 0.992 454 Q HN 0.071 nan 8.270 nan 0.000 0.506 455 R N 1.347 121.816 120.500 -0.051 0.000 2.073 455 R HA -0.068 4.272 4.340 0.001 0.000 0.229 455 R C 2.182 178.529 176.300 0.077 0.000 1.120 455 R CA 1.450 57.526 56.100 -0.040 0.000 0.967 455 R CB 0.064 30.240 30.300 -0.206 0.000 0.862 455 R HN 0.211 nan 8.270 nan 0.000 0.436 456 K N 0.127 120.550 120.400 0.038 0.000 2.097 456 K HA -0.182 4.139 4.320 0.001 0.000 0.205 456 K C 2.154 178.797 176.600 0.072 0.000 1.050 456 K CA 1.267 57.589 56.287 0.058 0.000 0.938 456 K CB 0.002 32.517 32.500 0.024 0.000 0.718 456 K HN -0.060 nan 8.250 nan 0.000 0.442 457 R N 0.760 121.298 120.500 0.064 0.000 2.103 457 R HA -0.164 4.176 4.340 0.001 0.000 0.242 457 R C 2.230 178.601 176.300 0.118 0.000 1.142 457 R CA 1.459 57.606 56.100 0.078 0.000 0.960 457 R CB -0.505 29.833 30.300 0.063 0.000 0.858 457 R HN 0.245 nan 8.270 nan 0.000 0.439 458 L N -0.086 121.223 121.223 0.144 0.000 1.943 458 L HA -0.239 4.102 4.340 0.001 0.000 0.215 458 L C 2.027 178.981 176.870 0.140 0.000 1.074 458 L CA 2.042 57.002 54.840 0.201 0.000 0.759 458 L CB -1.112 41.109 42.059 0.270 0.000 0.888 458 L HN 0.271 nan 8.230 nan 0.000 0.433 459 C N 0.175 119.551 119.300 0.127 0.000 2.396 459 C HA -0.199 4.262 4.460 0.001 0.000 0.279 459 C C 2.579 177.551 174.990 -0.029 0.000 1.229 459 C CA 1.312 60.324 59.018 -0.011 0.000 1.801 459 C CB -1.227 26.537 27.740 0.040 0.000 2.050 459 C HN 0.642 nan 8.230 nan 0.000 0.491 460 E N 0.369 120.600 120.200 0.052 0.000 2.016 460 E HA -0.140 4.211 4.350 0.001 0.000 0.190 460 E C 1.853 178.517 176.600 0.106 0.000 0.985 460 E CA 1.050 57.505 56.400 0.092 0.000 0.802 460 E CB -0.398 29.364 29.700 0.103 0.000 0.762 460 E HN 0.715 nan 8.360 nan 0.000 0.448 461 N N 1.037 119.824 118.700 0.145 0.000 2.037 461 N HA -0.202 4.538 4.740 0.001 0.000 0.196 461 N C 2.085 177.699 175.510 0.173 0.000 1.034 461 N CA 1.101 54.299 53.050 0.247 0.000 0.861 461 N CB -0.198 38.520 38.487 0.384 0.000 1.039 461 N HN 0.073 nan 8.380 nan 0.000 0.427 462 I N 1.189 121.711 120.570 -0.080 0.000 2.163 462 I HA -0.288 3.882 4.170 0.001 0.000 0.243 462 I C 2.523 178.420 176.117 -0.367 0.000 1.085 462 I CA 1.014 62.026 61.300 -0.479 0.000 1.347 462 I CB -0.425 37.198 38.000 -0.629 0.000 1.044 462 I HN 0.200 nan 8.210 nan 0.000 0.408 463 A N 0.784 123.438 122.820 -0.277 0.000 1.972 463 A HA -0.144 4.177 4.320 0.001 0.000 0.219 463 A C 2.399 179.729 177.584 -0.422 0.000 1.169 463 A CA 1.827 53.698 52.037 -0.276 0.000 0.635 463 A CB -1.348 17.623 19.000 -0.048 0.000 0.810 463 A HN 0.498 nan 8.150 nan 0.000 0.446 464 G N -1.861 106.747 108.800 -0.319 0.000 2.432 464 G HA2 -0.268 3.692 3.960 0.001 0.000 0.219 464 G HA3 -0.268 3.692 3.960 0.001 0.000 0.219 464 G C 1.641 176.372 174.900 -0.280 0.000 1.135 464 G CA 1.247 46.063 45.100 -0.473 0.000 0.767 464 G HN 0.669 nan 8.290 nan 0.000 0.550 465 H N -0.020 118.975 119.070 -0.125 0.000 2.337 465 H HA 0.219 4.775 4.556 0.001 0.000 0.311 465 H C 2.513 177.758 175.328 -0.140 0.000 1.054 465 H CA 0.545 56.639 56.048 0.076 0.000 1.385 465 H CB -0.362 29.712 29.762 0.519 0.000 1.437 465 H HN 0.180 nan 8.280 nan 0.000 0.553 466 L N 1.955 122.970 121.223 -0.348 0.000 2.137 466 L HA -0.263 4.078 4.340 0.001 0.000 0.213 466 L C 2.722 179.297 176.870 -0.492 0.000 1.085 466 L CA 2.009 56.277 54.840 -0.953 0.000 0.760 466 L CB -0.324 41.039 42.059 -1.160 0.000 0.893 466 L HN 0.402 nan 8.230 nan 0.000 0.434 467 K N -0.811 119.348 120.400 -0.401 0.000 2.044 467 K HA -0.260 4.060 4.320 0.001 0.000 0.210 467 K C 1.356 177.823 176.600 -0.221 0.000 1.049 467 K CA 2.077 58.170 56.287 -0.322 0.000 0.927 467 K CB -0.567 31.647 32.500 -0.477 0.000 0.713 467 K HN 0.313 nan 8.250 nan 0.000 0.443 468 D N 1.388 121.664 120.400 -0.207 0.000 2.350 468 D HA 0.006 4.647 4.640 0.001 0.000 0.216 468 D C 0.644 176.891 176.300 -0.088 0.000 0.968 468 D CA 0.916 54.835 54.000 -0.135 0.000 0.894 468 D CB 0.012 40.721 40.800 -0.152 0.000 0.909 468 D HN 0.471 nan 8.370 nan 0.000 0.520 469 A N 0.556 123.311 122.820 -0.108 0.000 2.287 469 A HA 0.188 4.509 4.320 0.001 0.000 0.273 469 A C 0.714 178.208 177.584 -0.151 0.000 1.091 469 A CA -0.428 51.554 52.037 -0.093 0.000 0.817 469 A CB 0.709 19.648 19.000 -0.102 0.000 1.069 469 A HN -0.016 nan 8.150 nan 0.000 0.492 470 Q N -0.433 119.248 119.800 -0.198 0.000 2.614 470 Q HA 0.090 4.430 4.340 0.001 0.000 0.244 470 Q C 0.980 176.833 176.000 -0.244 0.000 1.097 470 Q CA -0.137 55.551 55.803 -0.192 0.000 0.986 470 Q CB 0.286 28.906 28.738 -0.197 0.000 1.308 470 Q HN 0.717 nan 8.270 nan 0.000 0.546 471 L N 0.380 121.547 121.223 -0.093 0.000 2.005 471 L HA -0.206 4.134 4.340 0.001 0.000 0.207 471 L C 2.325 179.161 176.870 -0.056 0.000 1.072 471 L CA 1.394 56.203 54.840 -0.053 0.000 0.744 471 L CB -0.562 41.517 42.059 0.032 0.000 0.895 471 L HN 0.755 nan 8.230 nan 0.000 0.433 472 F N -0.315 119.639 119.950 0.008 0.000 2.250 472 F HA -0.195 4.333 4.527 0.001 0.000 0.301 472 F C 2.092 177.906 175.800 0.023 0.000 1.077 472 F CA 1.149 59.157 58.000 0.014 0.000 1.348 472 F CB -0.818 38.193 39.000 0.019 0.000 1.040 472 F HN -0.066 nan 8.300 nan 0.000 0.509 473 I N 0.446 120.474 120.570 -0.904 0.000 2.233 473 I HA -0.212 3.959 4.170 0.001 0.000 0.243 473 I C 2.624 178.600 176.117 -0.235 0.000 1.093 473 I CA 1.211 62.144 61.300 -0.613 0.000 1.380 473 I CB -0.644 36.940 38.000 -0.693 0.000 1.067 473 I HN 0.217 nan 8.210 nan 0.000 0.413 474 Q N 0.750 120.408 119.800 -0.236 0.000 2.135 474 Q HA -0.243 4.098 4.340 0.001 0.000 0.204 474 Q C 2.168 178.106 176.000 -0.103 0.000 0.981 474 Q CA 1.608 57.300 55.803 -0.185 0.000 0.856 474 Q CB -0.023 28.609 28.738 -0.177 0.000 0.902 474 Q HN 0.458 nan 8.270 nan 0.000 0.425 475 K N 0.747 121.113 120.400 -0.057 0.000 1.967 475 K HA -0.181 4.140 4.320 0.001 0.000 0.212 475 K C 2.067 178.665 176.600 -0.004 0.000 1.044 475 K CA 1.306 57.585 56.287 -0.014 0.000 0.942 475 K CB -0.189 32.324 32.500 0.021 0.000 0.726 475 K HN -0.055 nan 8.250 nan 0.000 0.440 476 K N 0.869 121.281 120.400 0.019 0.000 2.097 476 K HA -0.288 4.032 4.320 0.001 0.000 0.214 476 K C 1.985 178.570 176.600 -0.024 0.000 1.052 476 K CA 1.860 58.159 56.287 0.020 0.000 0.932 476 K CB -0.311 32.227 32.500 0.064 0.000 0.716 476 K HN 0.262 nan 8.250 nan 0.000 0.455 477 A N 0.138 122.947 122.820 -0.020 0.000 1.859 477 A HA -0.180 4.141 4.320 0.001 0.000 0.217 477 A C 2.316 179.856 177.584 -0.072 0.000 1.198 477 A CA 2.133 54.140 52.037 -0.050 0.000 0.629 477 A CB -0.974 18.037 19.000 0.019 0.000 0.830 477 A HN 0.180 nan 8.150 nan 0.000 0.446 478 V N 0.712 120.665 119.914 0.064 0.000 2.255 478 V HA -0.309 3.811 4.120 0.001 0.000 0.247 478 V C 2.589 178.714 176.094 0.051 0.000 1.051 478 V CA 2.648 65.037 62.300 0.149 0.000 1.018 478 V CB -0.799 31.039 31.823 0.024 0.000 0.641 478 V HN 0.742 nan 8.190 nan 0.000 0.445 479 K N 1.406 121.804 120.400 -0.004 0.000 2.071 479 K HA -0.283 4.037 4.320 0.001 0.000 0.217 479 K C 1.728 178.303 176.600 -0.041 0.000 1.054 479 K CA 2.507 58.787 56.287 -0.013 0.000 0.937 479 K CB -0.844 31.648 32.500 -0.013 0.000 0.719 479 K HN 0.517 nan 8.250 nan 0.000 0.454 480 N N -0.131 118.487 118.700 -0.136 0.000 2.025 480 N HA -0.151 4.590 4.740 0.001 0.000 0.194 480 N C 1.818 177.232 175.510 -0.160 0.000 1.044 480 N CA 1.861 54.785 53.050 -0.210 0.000 0.851 480 N CB -0.679 37.569 38.487 -0.397 0.000 1.036 480 N HN 0.205 nan 8.380 nan 0.000 0.422 481 F N 1.777 121.663 119.950 -0.107 0.000 2.091 481 F HA -0.145 4.382 4.527 0.001 0.000 0.299 481 F C 2.658 178.450 175.800 -0.013 0.000 1.103 481 F CA 0.893 58.792 58.000 -0.168 0.000 1.228 481 F CB -1.024 37.598 39.000 -0.630 0.000 0.984 481 F HN -0.034 nan 8.300 nan 0.000 0.477 482 S N -0.161 115.622 115.700 0.139 0.000 2.380 482 S HA -0.234 4.237 4.470 0.001 0.000 0.229 482 S C 1.637 176.311 174.600 0.124 0.000 1.043 482 S CA 1.721 59.984 58.200 0.105 0.000 1.038 482 S CB -0.506 62.727 63.200 0.054 0.000 0.872 482 S HN 0.415 nan 8.310 nan 0.000 0.456 483 D N 0.621 121.075 120.400 0.089 0.000 2.264 483 D HA -0.016 4.625 4.640 0.001 0.000 0.208 483 D C 1.860 178.228 176.300 0.114 0.000 0.966 483 D CA 0.551 54.600 54.000 0.081 0.000 0.864 483 D CB -0.188 40.633 40.800 0.034 0.000 0.933 483 D HN 0.262 nan 8.370 nan 0.000 0.499 484 V N -0.640 119.373 119.914 0.165 0.000 2.488 484 V HA -0.051 4.070 4.120 0.001 0.000 0.246 484 V C 0.780 177.013 176.094 0.232 0.000 1.046 484 V CA 0.943 63.346 62.300 0.172 0.000 1.053 484 V CB -0.198 31.766 31.823 0.236 0.000 0.679 484 V HN 0.340 nan 8.190 nan 0.000 0.458 485 H N -2.049 117.103 119.070 0.138 0.000 3.098 485 H HA 0.116 4.673 4.556 0.001 0.000 0.293 485 H C -2.541 172.887 175.328 0.166 0.000 1.231 485 H CA -1.040 55.093 56.048 0.141 0.000 1.592 485 H CB 2.278 32.144 29.762 0.174 0.000 2.251 485 H HN -0.115 nan 8.280 nan 0.000 0.415 486 P HA -0.196 nan 4.420 nan 0.000 0.216 486 P C 0.709 177.944 177.300 -0.108 0.000 1.154 486 P CA 1.462 64.561 63.100 -0.003 0.000 0.865 486 P CB 0.227 31.937 31.700 0.017 0.000 0.789 487 E N -2.834 117.145 120.200 -0.367 0.000 2.515 487 E HA -0.187 4.164 4.350 0.001 0.000 0.201 487 E C 1.387 178.002 176.600 0.025 0.000 1.071 487 E CA 0.324 56.592 56.400 -0.220 0.000 0.880 487 E CB -0.366 29.133 29.700 -0.335 0.000 0.828 487 E HN 0.347 nan 8.360 nan 0.000 0.540 488 Y N 0.201 120.393 120.300 -0.180 0.000 2.266 488 Y HA 0.153 4.704 4.550 0.001 0.000 0.294 488 Y C 2.294 178.077 175.900 -0.196 0.000 1.127 488 Y CA 1.320 59.259 58.100 -0.268 0.000 1.140 488 Y CB -0.633 37.535 38.460 -0.488 0.000 1.071 488 Y HN -0.052 nan 8.280 nan 0.000 0.525 489 G N -0.820 107.932 108.800 -0.079 0.000 2.402 489 G HA2 -0.178 3.783 3.960 0.001 0.000 0.216 489 G HA3 -0.178 3.783 3.960 0.001 0.000 0.216 489 G C 1.830 176.664 174.900 -0.110 0.000 1.162 489 G CA 1.064 46.087 45.100 -0.128 0.000 0.777 489 G HN 0.414 nan 8.290 nan 0.000 0.539 490 S N 0.067 115.732 115.700 -0.058 0.000 2.368 490 S HA -0.102 4.369 4.470 0.001 0.000 0.225 490 S C 2.236 176.803 174.600 -0.056 0.000 1.030 490 S CA 1.191 59.362 58.200 -0.048 0.000 0.999 490 S CB -0.223 62.957 63.200 -0.033 0.000 0.844 490 S HN 0.415 nan 8.310 nan 0.000 0.459 491 R N 0.746 121.220 120.500 -0.044 0.000 2.097 491 R HA -0.079 4.262 4.340 0.001 0.000 0.236 491 R C 2.255 178.509 176.300 -0.077 0.000 1.135 491 R CA 1.691 57.774 56.100 -0.028 0.000 0.934 491 R CB -0.479 29.847 30.300 0.043 0.000 0.846 491 R HN 0.362 nan 8.270 nan 0.000 0.431 492 I N 0.350 120.820 120.570 -0.167 0.000 2.127 492 I HA -0.343 3.827 4.170 0.001 0.000 0.241 492 I C 2.647 178.672 176.117 -0.154 0.000 1.075 492 I CA 1.519 62.679 61.300 -0.233 0.000 1.334 492 I CB -0.350 37.353 38.000 -0.494 0.000 1.040 492 I HN 0.321 nan 8.210 nan 0.000 0.405 493 Q N 1.182 120.899 119.800 -0.138 0.000 2.029 493 Q HA -0.283 4.058 4.340 0.001 0.000 0.209 493 Q C 2.139 178.104 176.000 -0.058 0.000 0.999 493 Q CA 2.842 58.592 55.803 -0.089 0.000 0.857 493 Q CB -0.566 28.132 28.738 -0.065 0.000 0.926 493 Q HN 0.510 nan 8.270 nan 0.000 0.415 494 A N 0.221 123.010 122.820 -0.051 0.000 1.884 494 A HA -0.228 4.093 4.320 0.001 0.000 0.219 494 A C 2.034 179.596 177.584 -0.036 0.000 1.197 494 A CA 1.852 53.865 52.037 -0.040 0.000 0.637 494 A CB -1.191 17.787 19.000 -0.038 0.000 0.827 494 A HN 0.504 nan 8.150 nan 0.000 0.450 495 L N -0.318 120.886 121.223 -0.032 0.000 2.081 495 L HA -0.158 4.182 4.340 0.001 0.000 0.212 495 L C 2.412 179.336 176.870 0.091 0.000 1.080 495 L CA 1.626 56.464 54.840 -0.003 0.000 0.754 495 L CB -1.052 41.027 42.059 0.032 0.000 0.893 495 L HN 0.469 nan 8.230 nan 0.000 0.433 496 L N -0.869 120.396 121.223 0.070 0.000 1.961 496 L HA -0.246 4.094 4.340 0.001 0.000 0.210 496 L C 2.262 179.179 176.870 0.078 0.000 1.072 496 L CA 1.650 56.546 54.840 0.094 0.000 0.749 496 L CB -0.902 41.133 42.059 -0.040 0.000 0.889 496 L HN 0.278 nan 8.230 nan 0.000 0.432 497 D N 0.331 120.738 120.400 0.012 0.000 2.220 497 D HA -0.270 4.371 4.640 0.001 0.000 0.198 497 D C 2.027 178.325 176.300 -0.004 0.000 1.001 497 D CA 1.508 55.507 54.000 -0.002 0.000 0.875 497 D CB -0.342 40.447 40.800 -0.017 0.000 0.921 497 D HN 0.381 nan 8.370 nan 0.000 0.454 498 K N 0.940 121.323 120.400 -0.028 0.000 2.025 498 K HA -0.177 4.144 4.320 0.001 0.000 0.207 498 K C 2.060 178.620 176.600 -0.067 0.000 1.049 498 K CA 0.885 57.120 56.287 -0.087 0.000 0.933 498 K CB -0.680 31.712 32.500 -0.179 0.000 0.714 498 K HN 0.156 nan 8.250 nan 0.000 0.438 499 Y N 2.127 122.397 120.300 -0.050 0.000 2.274 499 Y HA -0.058 4.492 4.550 0.001 0.000 0.290 499 Y C 1.958 177.829 175.900 -0.048 0.000 1.145 499 Y CA 1.315 59.386 58.100 -0.049 0.000 1.203 499 Y CB -0.345 38.078 38.460 -0.063 0.000 0.984 499 Y HN 0.237 nan 8.280 nan 0.000 0.533 500 N N 0.878 119.646 118.700 0.115 0.000 2.571 500 N HA -0.078 4.663 4.740 0.001 0.000 0.189 500 N C -0.081 175.442 175.510 0.023 0.000 1.154 500 N CA 0.866 53.943 53.050 0.045 0.000 0.907 500 N CB -0.186 38.312 38.487 0.019 0.000 0.977 500 N HN 0.313 nan 8.380 nan 0.000 0.449 501 E N 0.000 120.211 120.200 0.018 0.000 2.725 501 E HA 0.000 4.351 4.350 0.001 0.000 0.291 501 E CA 0.000 56.401 56.400 0.001 0.000 0.976 501 E CB 0.000 29.703 29.700 0.006 0.000 0.812 501 E HN 0.000 nan 8.360 nan 0.000 0.440